view test-data/test.gro @ 0:78aa3659fcd1 draft

"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
author chemteam
date Mon, 24 Aug 2020 16:47:23 -0400
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Glycine aRginine prOline Methionine Alanine Cystine Serine
61649
    2SER      N    1   2.371   0.440   0.529
    2SER    HT1    2   2.277   0.401   0.505
    2SER    HT2    3   2.399   0.406   0.623
    2SER    HT3    4   2.441   0.402   0.461
    2SER     CA    5   2.369   0.591   0.523
    2SER     HA    6   2.305   0.626   0.603
    2SER     CB    7   2.513   0.648   0.547
    2SER    HB1    8   2.550   0.611   0.645
    2SER    HB2    9   2.511   0.759   0.552
    2SER     OG   10   2.603   0.606   0.444
    2SER    HG1   11   2.693   0.638   0.465
    2SER      C   12   2.309   0.645   0.394
    2SER      O   13   2.229   0.574   0.331
    3ALA      N   14   2.342   0.767   0.352
    3ALA     HN   15   2.411   0.824   0.396
    3ALA     CA   16   2.294   0.828   0.229
    3ALA     HA   17   2.242   0.755   0.168
    3ALA     CB   18   2.201   0.948   0.258
    3ALA    HB1   19   2.251   1.022   0.324
    3ALA    HB2   20   2.109   0.913   0.308
    3ALA    HB3   21   2.172   0.998   0.164
    3ALA      C   22   2.415   0.875   0.151
    3ALA      O   23   2.517   0.908   0.207
    4CYS      N   24   2.401   0.875   0.017
    4CYS     HN   25   2.314   0.848  -0.026
    4CYS     CA   26   2.503   0.915  -0.077
    4CYS     HA   27   2.577   0.976  -0.027
    4CYS     CB   28   2.570   0.795  -0.148
    4CYS    HB1   29   2.626   0.829  -0.238
    4CYS    HB2   30   2.491   0.726  -0.185
    4CYS     SG   31   2.689   0.708  -0.041
    4CYS      C   32   2.434   1.003  -0.177
    4CYS      O   33   2.310   1.011  -0.185
    5THR      N   34   2.513   1.082  -0.251
    5THR     HN   35   2.612   1.073  -0.243
    5THR     CA   36   2.463   1.189  -0.334
    5THR     HA   37   2.359   1.168  -0.361
    5THR     CB   38   2.471   1.327  -0.267
    5THR     HB   39   2.436   1.406  -0.337
    5THR    OG1   40   2.605   1.358  -0.227
    5THR    HG1   41   2.654   1.352  -0.310
    5THR    CG2   42   2.379   1.330  -0.145
    5THR   HG21   43   2.413   1.259  -0.066
    5THR   HG22   44   2.276   1.300  -0.175
    5THR   HG23   45   2.375   1.431  -0.100
    5THR      C   46   2.539   1.190  -0.465
    5THR      O   47   2.581   1.296  -0.511
    6LEU      N   48   2.559   1.072  -0.527
    6LEU     HN   49   2.522   0.985  -0.489
    6LEU     CA   50   2.613   1.064  -0.662
    6LEU     HA   51   2.693   1.135  -0.673
    6LEU     CB   52   2.664   0.921  -0.694
    6LEU    HB1   53   2.704   0.919  -0.798
    6LEU    HB2   54   2.578   0.850  -0.687
    6LEU     CG   55   2.774   0.867  -0.600
    6LEU     HG   56   2.733   0.865  -0.496
    6LEU    CD1   57   2.810   0.722  -0.638
    6LEU   HD11   58   2.849   0.716  -0.741
    6LEU   HD12   59   2.718   0.658  -0.631
    6LEU   HD13   60   2.885   0.680  -0.568
    6LEU    CD2   61   2.900   0.954  -0.602
    6LEU   HD21   62   2.877   1.056  -0.564
    6LEU   HD22   63   2.939   0.964  -0.705
    6LEU   HD23   64   2.979   0.910  -0.538
    6LEU      C   65   2.505   1.102  -0.763
    6LEU      O   66   2.529   1.158  -0.868
    7GLN      N   67   2.378   1.075  -0.725
    7GLN     HN   68   2.357   1.024  -0.641
    7GLN     CA   69   2.262   1.113  -0.801
    7GLN     HA   70   2.291   1.166  -0.890
    7GLN     CB   71   2.178   0.990  -0.840
    7GLN    HB1   72   2.098   1.021  -0.910
    7GLN    HB2   73   2.128   0.948  -0.749
    7GLN     CG   74   2.265   0.878  -0.901
    7GLN    HG1   75   2.333   0.834  -0.825
    7GLN    HG2   76   2.327   0.921  -0.984
    7GLN     CD   77   2.181   0.767  -0.962
    7GLN    OE1   78   2.190   0.744  -1.082
    7GLN    NE2   79   2.097   0.701  -0.879
    7GLN   HE21   80   2.085   0.731  -0.785
    7GLN   HE22   81   2.035   0.634  -0.921
    7GLN      C   82   2.183   1.207  -0.712
    7GLN      O   83   2.176   1.194  -0.590
    8SER      N   84   2.125   1.313  -0.770
    8SER     HN   85   2.120   1.326  -0.868
    8SER     CA   86   2.049   1.408  -0.692
    8SER     HA   87   2.102   1.426  -0.599
    8SER     CB   88   2.035   1.544  -0.763
    8SER    HB1   89   2.137   1.588  -0.771
    8SER    HB2   90   1.971   1.615  -0.705
    8SER     OG   91   1.987   1.530  -0.897
    8SER    HG1   92   1.897   1.493  -0.894
    8SER      C   93   1.913   1.356  -0.653
    8SER      O   94   1.836   1.312  -0.739
    9GLU      N   95   1.878   1.361  -0.524
    9GLU     HN   96   1.939   1.399  -0.454
    9GLU     CA   97   1.747   1.325  -0.477
    9GLU     HA   98   1.703   1.252  -0.544
    9GLU     CB   99   1.749   1.263  -0.335
    9GLU    HB1  100   1.803   1.331  -0.266
    9GLU    HB2  101   1.808   1.168  -0.340
    9GLU     CG  102   1.609   1.230  -0.275
    9GLU    HG1  103   1.547   1.322  -0.264
    9GLU    HG2  104   1.621   1.188  -0.173
    9GLU     CD  105   1.533   1.126  -0.358
    9GLU    OE1  106   1.593   1.059  -0.442
    9GLU    OE2  107   1.408   1.106  -0.335
    9GLU      C  108   1.660   1.448  -0.481
    9GLU      O  109   1.694   1.553  -0.426
   10THR      N  110   1.548   1.441  -0.555
   10THR     HN  111   1.522   1.354  -0.598
   10THR     CA  112   1.455   1.551  -0.566
   10THR     HA  113   1.464   1.616  -0.480
   10THR     CB  114   1.471   1.632  -0.695
   10THR     HB  115   1.462   1.563  -0.783
   10THR    OG1  116   1.599   1.693  -0.700
   10THR    HG1  117   1.658   1.624  -0.668
   10THR    CG2  118   1.365   1.743  -0.706
   10THR   HG21  119   1.362   1.802  -0.612
   10THR   HG22  120   1.264   1.700  -0.724
   10THR   HG23  121   1.390   1.810  -0.791
   10THR      C  122   1.318   1.492  -0.564
   10THR      O  123   1.284   1.410  -0.649
   11HSD      N  124   1.235   1.532  -0.467
   11HSD     HN  125   1.265   1.597  -0.398
   11HSD     CA  126   1.102   1.477  -0.448
   11HSD     HA  127   1.105   1.370  -0.468
   11HSD     CB  128   1.060   1.495  -0.301
   11HSD    HB1  129   0.963   1.444  -0.281
   11HSD    HB2  130   1.048   1.603  -0.278
   11HSD    ND1  131   1.223   1.513  -0.106
   11HSD    HD1  132   1.214   1.612  -0.090
   11HSD     CG  133   1.161   1.439  -0.204
   11HSD    CE1  134   1.298   1.427  -0.033
   11HSD    HE1  135   1.356   1.455   0.054
   11HSD    NE2  136   1.288   1.304  -0.078
   11HSD    CD2  137   1.201   1.310  -0.185
   11HSD    HD2  138   1.174   1.221  -0.240
   11HSD      C  139   1.001   1.546  -0.538
   11HSD      O  140   0.996   1.671  -0.535
   12PRO      N  141   0.919   1.481  -0.620
   12PRO     CD  142   0.939   1.342  -0.663
   12PRO    HD1  143   0.901   1.273  -0.584
   12PRO    HD2  144   1.046   1.320  -0.682
   12PRO     CA  145   0.811   1.545  -0.693
   12PRO     HA  146   0.859   1.616  -0.758
   12PRO     CB  147   0.745   1.432  -0.774
   12PRO    HB1  148   0.706   1.467  -0.871
   12PRO    HB2  149   0.661   1.386  -0.716
   12PRO     CG  150   0.856   1.327  -0.790
   12PRO    HG1  151   0.816   1.224  -0.803
   12PRO    HG2  152   0.918   1.353  -0.879
   12PRO      C  153   0.712   1.619  -0.603
   12PRO      O  154   0.660   1.554  -0.513
   13PRO      N  155   0.682   1.749  -0.618
   13PRO     CD  156   0.727   1.833  -0.729
   13PRO    HD1  157   0.722   1.780  -0.826
   13PRO    HD2  158   0.832   1.864  -0.707
   13PRO     CA  159   0.582   1.817  -0.537
   13PRO     HA  160   0.605   1.803  -0.432
   13PRO     CB  161   0.594   1.964  -0.580
   13PRO    HB1  162   0.677   2.011  -0.523
   13PRO    HB2  163   0.501   2.021  -0.563
   13PRO     CG  164   0.633   1.953  -0.728
   13PRO    HG1  165   0.543   1.930  -0.787
   13PRO    HG2  166   0.680   2.046  -0.767
   13PRO      C  167   0.444   1.761  -0.560
   13PRO      O  168   0.410   1.724  -0.673
   14LEU      N  169   0.362   1.755  -0.454
   14LEU     HN  170   0.393   1.785  -0.364
   14LEU     CA  171   0.225   1.713  -0.465
   14LEU     HA  172   0.188   1.735  -0.565
   14LEU     CB  173   0.210   1.562  -0.435
   14LEU    HB1  174   0.246   1.542  -0.331
   14LEU    HB2  175   0.278   1.506  -0.504
   14LEU     CG  176   0.068   1.504  -0.450
   14LEU     HG  177  -0.002   1.560  -0.384
   14LEU    CD1  178   0.017   1.514  -0.595
   14LEU   HD11  179   0.087   1.464  -0.665
   14LEU   HD12  180   0.006   1.620  -0.626
   14LEU   HD13  181  -0.082   1.465  -0.604
   14LEU    CD2  182   0.066   1.357  -0.405
   14LEU   HD21  183   0.103   1.348  -0.301
   14LEU   HD22  184   0.131   1.295  -0.472
   14LEU   HD23  185  -0.037   1.317  -0.410
   14LEU      C  186   0.144   1.796  -0.369
   14LEU      O  187   0.174   1.806  -0.250
   15THR      N  188   0.039   1.863  -0.419
   15THR     HN  189   0.015   1.860  -0.516
   15THR     CA  190  -0.046   1.946  -0.335
   15THR     HA  191   0.007   1.970  -0.244
   15THR     CB  192  -0.086   2.080  -0.395
   15THR     HB  193  -0.146   2.137  -0.320
   15THR    OG1  194  -0.162   2.070  -0.515
   15THR    HG1  195  -0.194   2.160  -0.529
   15THR    CG2  196   0.041   2.160  -0.426
   15THR   HG21  197   0.103   2.109  -0.502
   15THR   HG22  198   0.101   2.174  -0.334
   15THR   HG23  199   0.015   2.261  -0.465
   15THR      C  200  -0.169   1.869  -0.292
   15THR      O  201  -0.210   1.770  -0.352
   16TRP      N  202  -0.229   1.913  -0.181
   16TRP     HN  203  -0.196   1.993  -0.132
   16TRP     CA  204  -0.343   1.846  -0.123
   16TRP     HA  205  -0.409   1.815  -0.203
   16TRP     CB  206  -0.303   1.720  -0.040
   16TRP    HB1  207  -0.257   1.648  -0.110
   16TRP    HB2  208  -0.394   1.672  -0.001
   16TRP     CG  209  -0.207   1.742   0.074
   16TRP    CD1  210  -0.070   1.755   0.066
   16TRP    HD1  211  -0.014   1.753  -0.027
   16TRP    NE1  212  -0.019   1.769   0.192
   16TRP    HE1  213   0.076   1.775   0.218
   16TRP    CE2  214  -0.119   1.763   0.284
   16TRP    CD2  215  -0.240   1.745   0.214
   16TRP    CE3  216  -0.360   1.734   0.284
   16TRP    HE3  217  -0.454   1.719   0.233
   16TRP    CZ3  218  -0.357   1.742   0.424
   16TRP    HZ3  219  -0.449   1.732   0.479
   16TRP    CZ2  220  -0.116   1.770   0.423
   16TRP    HZ2  221  -0.022   1.783   0.475
   16TRP    CH2  222  -0.236   1.758   0.492
   16TRP    HH2  223  -0.235   1.758   0.600
   16TRP      C  224  -0.418   1.950  -0.044
   16TRP      O  225  -0.373   2.065  -0.031
   17GLN      N  226  -0.537   1.917   0.006
   17GLN     HN  227  -0.573   1.824  -0.010
   17GLN     CA  228  -0.626   2.010   0.072
   17GLN     HA  229  -0.583   2.109   0.073
   17GLN     CB  230  -0.764   2.012   0.003
   17GLN    HB1  231  -0.837   2.069   0.065
   17GLN    HB2  232  -0.800   1.908  -0.003
   17GLN     CG  233  -0.764   2.073  -0.139
   17GLN    HG1  234  -0.863   2.058  -0.185
   17GLN    HG2  235  -0.689   2.021  -0.202
   17GLN     CD  236  -0.738   2.223  -0.135
   17GLN    OE1  237  -0.808   2.295  -0.063
   17GLN    NE2  238  -0.642   2.274  -0.215
   17GLN   HE21  239  -0.634   2.374  -0.218
   17GLN   HE22  240  -0.592   2.214  -0.277
   17GLN      C  241  -0.647   1.969   0.217
   17GLN      O  242  -0.672   1.854   0.247
   18LYS      N  243  -0.643   2.068   0.308
   18LYS     HN  244  -0.622   2.162   0.282
   18LYS     CA  245  -0.681   2.044   0.446
   18LYS     HA  246  -0.704   1.939   0.461
   18LYS     CB  247  -0.572   2.082   0.548
   18LYS    HB1  248  -0.557   2.193   0.548
   18LYS    HB2  249  -0.477   2.036   0.513
   18LYS     CG  250  -0.602   2.029   0.689
   18LYS    HG1  251  -0.599   1.918   0.685
   18LYS    HG2  252  -0.706   2.058   0.719
   18LYS     CD  253  -0.505   2.082   0.795
   18LYS    HD1  254  -0.524   2.191   0.804
   18LYS    HD2  255  -0.400   2.071   0.761
   18LYS     CE  256  -0.523   2.022   0.936
   18LYS    HE1  257  -0.629   2.030   0.967
   18LYS    HE2  258  -0.460   2.078   1.007
   18LYS     NZ  259  -0.484   1.879   0.943
   18LYS    HZ1  260  -0.382   1.870   0.916
   18LYS    HZ2  261  -0.543   1.823   0.879
   18LYS    HZ3  262  -0.494   1.842   1.040
   18LYS      C  263  -0.807   2.123   0.471
   18LYS      O  264  -0.810   2.247   0.457
   19CYS      N  265  -0.916   2.053   0.503
   19CYS     HN  266  -0.908   1.953   0.517
   19CYS     CA  267  -1.048   2.108   0.522
   19CYS     HA  268  -1.051   2.208   0.481
   19CYS     CB  269  -1.156   2.025   0.449
   19CYS    HB1  270  -1.257   2.069   0.465
   19CYS    HB2  271  -1.158   1.922   0.492
   19CYS     SG  272  -1.125   2.012   0.271
   19CYS      C  273  -1.080   2.122   0.669
   19CYS      O  274  -1.012   2.070   0.757
   20SER      N  275  -1.184   2.200   0.700
   20SER     HN  276  -1.239   2.242   0.628
   20SER     CA  277  -1.219   2.236   0.835
   20SER     HA  278  -1.175   2.165   0.905
   20SER     CB  279  -1.174   2.380   0.870
   20SER    HB1  280  -1.064   2.388   0.858
   20SER    HB2  281  -1.197   2.404   0.976
   20SER     OG  282  -1.238   2.478   0.788
   20SER    HG1  283  -1.200   2.474   0.699
   20SER      C  284  -1.368   2.228   0.854
   20SER      O  285  -1.447   2.229   0.760
   21SER      N  286  -1.412   2.226   0.981
   21SER     HN  287  -1.350   2.226   1.059
   21SER     CA  288  -1.552   2.220   1.019
   21SER     HA  289  -1.601   2.146   0.956
   21SER     CB  290  -1.566   2.177   1.167
   21SER    HB1  291  -1.521   2.076   1.178
   21SER    HB2  292  -1.673   2.169   1.196
   21SER     OG  293  -1.495   2.268   1.252
   21SER    HG1  294  -1.550   2.347   1.260
   21SER      C  295  -1.625   2.352   1.000
   21SER      O  296  -1.746   2.360   1.013
   22GLY      N  297  -1.549   2.461   0.971
   22GLY     HN  298  -1.450   2.451   0.966
   22GLY     CA  299  -1.604   2.591   0.933
   22GLY    HA1  300  -1.523   2.663   0.936
   22GLY    HA2  301  -1.686   2.617   0.999
   22GLY      C  302  -1.657   2.591   0.792
   22GLY      O  303  -1.741   2.674   0.755
   23GLY      N  304  -1.610   2.497   0.709
   23GLY     HN  305  -1.542   2.431   0.744
   23GLY     CA  306  -1.661   2.475   0.575
   23GLY    HA1  307  -1.756   2.525   0.561
   23GLY    HA2  308  -1.668   2.368   0.561
   23GLY      C  309  -1.567   2.526   0.470
   23GLY      O  310  -1.609   2.554   0.358
   24THR      N  311  -1.439   2.539   0.503
   24THR     HN  312  -1.408   2.519   0.596
   24THR     CA  313  -1.336   2.591   0.415
   24THR     HA  314  -1.376   2.602   0.315
   24THR     CB  315  -1.277   2.725   0.458
   24THR     HB  316  -1.189   2.753   0.396
   24THR    OG1  317  -1.238   2.724   0.595
   24THR    HG1  318  -1.215   2.816   0.618
   24THR    CG2  319  -1.386   2.832   0.441
   24THR   HG21  320  -1.471   2.813   0.510
   24THR   HG22  321  -1.424   2.830   0.337
   24THR   HG23  322  -1.345   2.933   0.461
   24THR      C  323  -1.224   2.490   0.406
   24THR      O  324  -1.196   2.416   0.499
   25CYS      N  325  -1.157   2.486   0.288
   25CYS     HN  326  -1.183   2.544   0.212
   25CYS     CA  327  -1.039   2.406   0.269
   25CYS     HA  328  -1.008   2.363   0.362
   25CYS     CB  329  -1.057   2.294   0.163
   25CYS    HB1  330  -0.964   2.233   0.157
   25CYS    HB2  331  -1.072   2.342   0.064
   25CYS     SG  332  -1.200   2.185   0.194
   25CYS      C  333  -0.928   2.498   0.227
   25CYS      O  334  -0.952   2.611   0.179
   26THR      N  335  -0.804   2.457   0.250
   26THR     HN  336  -0.789   2.365   0.288
   26THR     CA  337  -0.684   2.536   0.227
   26THR     HA  338  -0.705   2.612   0.154
   26THR     CB  339  -0.625   2.599   0.354
   26THR     HB  340  -0.522   2.639   0.334
   26THR    OG1  341  -0.621   2.507   0.463
   26THR    HG1  342  -0.702   2.456   0.454
   26THR    CG2  343  -0.715   2.715   0.397
   26THR   HG21  344  -0.816   2.679   0.426
   26THR   HG22  345  -0.728   2.788   0.314
   26THR   HG23  346  -0.670   2.768   0.484
   26THR      C  347  -0.579   2.444   0.168
   26THR      O  348  -0.559   2.334   0.215
   27GLN      N  349  -0.511   2.490   0.059
   27GLN     HN  350  -0.537   2.576   0.015
   27GLN     CA  351  -0.401   2.414   0.002
   27GLN     HA  352  -0.441   2.315  -0.018
   27GLN     CB  353  -0.355   2.470  -0.136
   27GLN    HB1  354  -0.321   2.574  -0.122
   27GLN    HB2  355  -0.445   2.473  -0.202
   27GLN     CG  356  -0.243   2.386  -0.204
   27GLN    HG1  357  -0.276   2.280  -0.209
   27GLN    HG2  358  -0.149   2.390  -0.146
   27GLN     CD  359  -0.212   2.431  -0.347
   27GLN    OE1  360  -0.234   2.360  -0.445
   27GLN    NE2  361  -0.156   2.553  -0.360
   27GLN   HE21  362  -0.128   2.582  -0.451
   27GLN   HE22  363  -0.123   2.601  -0.279
   27GLN      C  364  -0.283   2.392   0.096
   27GLN      O  365  -0.239   2.480   0.170
   28GLN      N  366  -0.229   2.270   0.093
   28GLN     HN  367  -0.271   2.199   0.035
   28GLN     CA  368  -0.111   2.228   0.162
   28GLN     HA  369  -0.066   2.310   0.217
   28GLN     CB  370  -0.140   2.106   0.252
   28GLN    HB1  371  -0.049   2.081   0.312
   28GLN    HB2  372  -0.163   2.018   0.188
   28GLN     CG  373  -0.261   2.123   0.348
   28GLN    HG1  374  -0.270   2.030   0.408
   28GLN    HG2  375  -0.354   2.134   0.289
   28GLN     CD  376  -0.245   2.240   0.445
   28GLN    OE1  377  -0.160   2.240   0.533
   28GLN    NE2  378  -0.333   2.343   0.434
   28GLN   HE21  379  -0.397   2.346   0.357
   28GLN   HE22  380  -0.324   2.418   0.498
   28GLN      C  381  -0.017   2.185   0.051
   28GLN      O  382  -0.061   2.140  -0.055
   29THR      N  383   0.115   2.199   0.070
   29THR     HN  384   0.152   2.230   0.157
   29THR     CA  385   0.212   2.159  -0.032
   29THR     HA  386   0.163   2.109  -0.114
   29THR     CB  387   0.293   2.276  -0.087
   29THR     HB  388   0.352   2.325  -0.007
   29THR    OG1  389   0.206   2.374  -0.144
   29THR    HG1  390   0.141   2.392  -0.075
   29THR    CG2  391   0.387   2.227  -0.199
   29THR   HG21  392   0.331   2.174  -0.278
   29THR   HG22  393   0.464   2.158  -0.159
   29THR   HG23  394   0.440   2.313  -0.245
   29THR      C  395   0.307   2.060   0.031
   29THR      O  396   0.377   2.093   0.126
   30GLY      N  397   0.308   1.936  -0.022
   30GLY     HN  398   0.253   1.913  -0.102
   30GLY     CA  399   0.398   1.830   0.020
   30GLY    HA1  400   0.337   1.747   0.053
   30GLY    HA2  401   0.468   1.864   0.094
   30GLY      C  402   0.476   1.783  -0.099
   30GLY      O  403   0.488   1.852  -0.201
   31SER      N  404   0.530   1.662  -0.092
   31SER     HN  405   0.521   1.604  -0.011
   31SER     CA  406   0.607   1.603  -0.200
   31SER     HA  407   0.555   1.621  -0.293
   31SER     CB  408   0.753   1.657  -0.211
   31SER    HB1  409   0.748   1.765  -0.233
   31SER    HB2  410   0.805   1.607  -0.295
   31SER     OG  411   0.826   1.639  -0.089
   31SER    HG1  412   0.916   1.671  -0.101
   31SER      C  413   0.603   1.454  -0.178
   31SER      O  414   0.555   1.409  -0.075
   32VAL      N  415   0.646   1.373  -0.277
   32VAL     HN  416   0.681   1.410  -0.362
   32VAL     CA  417   0.645   1.228  -0.266
   32VAL     HA  418   0.610   1.200  -0.168
   32VAL     CB  419   0.554   1.157  -0.367
   32VAL     HB  420   0.564   1.047  -0.354
   32VAL    CG1  421   0.407   1.194  -0.337
   32VAL   HG11  422   0.390   1.303  -0.350
   32VAL   HG12  423   0.382   1.166  -0.232
   32VAL   HG13  424   0.339   1.139  -0.405
   32VAL    CG2  425   0.591   1.192  -0.513
   32VAL   HG21  426   0.695   1.163  -0.536
   32VAL   HG22  427   0.580   1.301  -0.530
   32VAL   HG23  428   0.524   1.139  -0.583
   32VAL      C  429   0.786   1.172  -0.275
   32VAL      O  430   0.870   1.224  -0.348
   33VAL      N  431   0.814   1.066  -0.198
   33VAL     HN  432   0.745   1.028  -0.136
   33VAL     CA  433   0.944   1.003  -0.193
   33VAL     HA  434   1.005   1.041  -0.274
   33VAL     CB  435   1.018   1.031  -0.063
   33VAL     HB  436   1.032   1.142  -0.058
   33VAL    CG1  437   0.937   0.988   0.060
   33VAL   HG11  438   0.927   0.878   0.064
   33VAL   HG12  439   0.835   1.034   0.061
   33VAL   HG13  440   0.989   1.021   0.152
   33VAL    CG2  441   1.158   0.967  -0.060
   33VAL   HG21  442   1.219   1.002  -0.146
   33VAL   HG22  443   1.152   0.856  -0.059
   33VAL   HG23  444   1.210   0.999   0.033
   33VAL      C  445   0.930   0.855  -0.218
   33VAL      O  446   0.839   0.790  -0.165
   34ILE      N  447   1.015   0.797  -0.305
   34ILE     HN  448   1.086   0.851  -0.350
   34ILE     CA  449   1.013   0.654  -0.335
   34ILE     HA  450   0.910   0.622  -0.329
   34ILE     CB  451   1.063   0.621  -0.475
   34ILE     HB  452   1.012   0.692  -0.545
   34ILE    CG2  453   1.215   0.644  -0.488
   34ILE   HG21  454   1.272   0.571  -0.426
   34ILE   HG22  455   1.243   0.747  -0.455
   34ILE   HG23  456   1.248   0.632  -0.593
   34ILE    CG1  457   1.021   0.479  -0.521
   34ILE   HG11  458   0.914   0.464  -0.495
   34ILE   HG12  459   1.079   0.403  -0.464
   34ILE     CD  460   1.037   0.455  -0.671
   34ILE    HD1  461   1.144   0.460  -0.701
   34ILE    HD2  462   0.981   0.531  -0.729
   34ILE    HD3  463   0.998   0.354  -0.699
   34ILE      C  464   1.086   0.575  -0.227
   34ILE      O  465   1.186   0.617  -0.171
   35ASP      N  466   1.030   0.455  -0.198
   35ASP     HN  467   0.944   0.428  -0.241
   35ASP     CA  468   1.082   0.359  -0.103
   35ASP     HA  469   1.084   0.409  -0.007
   35ASP     CB  470   0.983   0.241  -0.093
   35ASP    HB1  471   0.967   0.195  -0.192
   35ASP    HB2  472   0.884   0.279  -0.058
   35ASP     CG  473   1.028   0.134   0.004
   35ASP    OD1  474   1.085   0.031  -0.040
   35ASP    OD2  475   1.009   0.156   0.126
   35ASP      C  476   1.226   0.316  -0.130
   35ASP      O  477   1.276   0.311  -0.243
   36ALA      N  478   1.299   0.284  -0.022
   36ALA     HN  479   1.253   0.284   0.068
   36ALA     CA  480   1.438   0.248  -0.022
   36ALA     HA  481   1.492   0.332  -0.064
   36ALA     CB  482   1.485   0.226   0.123
   36ALA    HB1  483   1.430   0.142   0.169
   36ALA    HB2  484   1.465   0.318   0.183
   36ALA    HB3  485   1.594   0.205   0.126
   36ALA      C  486   1.472   0.127  -0.109
   36ALA      O  487   1.579   0.122  -0.169
   37ASN      N  488   1.382   0.026  -0.119
   37ASN     HN  489   1.292   0.033  -0.074
   37ASN     CA  490   1.406  -0.093  -0.200
   37ASN     HA  491   1.499  -0.136  -0.165
   37ASN     CB  492   1.292  -0.198  -0.189
   37ASN    HB1  493   1.292  -0.266  -0.276
   37ASN    HB2  494   1.193  -0.147  -0.184
   37ASN     CG  495   1.312  -0.286  -0.065
   37ASN    OD1  496   1.399  -0.265   0.018
   37ASN    ND2  497   1.234  -0.398  -0.062
   37ASN   HD21  498   1.246  -0.464   0.012
   37ASN   HD22  499   1.170  -0.416  -0.135
   37ASN      C  500   1.432  -0.066  -0.348
   37ASN      O  501   1.516  -0.131  -0.409
   38TRP      N  502   1.360   0.033  -0.407
   38TRP     HN  503   1.297   0.086  -0.351
   38TRP     CA  504   1.372   0.071  -0.547
   38TRP     HA  505   1.368  -0.019  -0.607
   38TRP     CB  506   1.254   0.164  -0.586
   38TRP    HB1  507   1.281   0.225  -0.675
   38TRP    HB2  508   1.235   0.236  -0.503
   38TRP     CG  509   1.126   0.093  -0.620
   38TRP    CD1  510   1.080   0.072  -0.747
   38TRP    HD1  511   1.131   0.106  -0.837
   38TRP    NE1  512   0.961   0.004  -0.744
   38TRP    HE1  513   0.903  -0.017  -0.820
   38TRP    CE2  514   0.928  -0.021  -0.614
   38TRP    CD2  515   1.029   0.033  -0.532
   38TRP    CE3  516   1.019   0.021  -0.394
   38TRP    HE3  517   1.092   0.063  -0.326
   38TRP    CZ3  518   0.908  -0.045  -0.341
   38TRP    HZ3  519   0.899  -0.055  -0.233
   38TRP    CZ2  520   0.818  -0.087  -0.562
   38TRP    HZ2  521   0.741  -0.129  -0.626
   38TRP    CH2  522   0.809  -0.099  -0.423
   38TRP    HH2  523   0.725  -0.149  -0.378
   38TRP      C  524   1.503   0.140  -0.580
   38TRP      O  525   1.547   0.144  -0.695
   39ARG      N  526   1.569   0.198  -0.479
   39ARG     HN  527   1.533   0.189  -0.386
   39ARG     CA  528   1.693   0.270  -0.493
   39ARG     HA  529   1.679   0.337  -0.577
   39ARG     CB  530   1.723   0.357  -0.369
   39ARG    HB1  531   1.817   0.415  -0.386
   39ARG    HB2  532   1.740   0.291  -0.281
   39ARG     CG  533   1.612   0.458  -0.339
   39ARG    HG1  534   1.515   0.404  -0.322
   39ARG    HG2  535   1.598   0.524  -0.428
   39ARG     CD  536   1.640   0.544  -0.216
   39ARG    HD1  537   1.737   0.598  -0.224
   39ARG    HD2  538   1.644   0.480  -0.124
   39ARG     NE  539   1.525   0.641  -0.203
   39ARG     HE  540   1.448   0.614  -0.147
   39ARG     CZ  541   1.521   0.758  -0.264
   39ARG    NH1  542   1.612   0.807  -0.339
   39ARG   HH11  543   1.696   0.753  -0.358
   39ARG   HH12  544   1.600   0.900  -0.380
   39ARG    NH2  545   1.410   0.834  -0.243
   39ARG   HH21  546   1.412   0.929  -0.276
   39ARG   HH22  547   1.336   0.797  -0.190
   39ARG      C  548   1.814   0.185  -0.526
   39ARG      O  549   1.827   0.067  -0.494
   40TRP      N  550   1.913   0.250  -0.592
   40TRP     HN  551   1.898   0.344  -0.621
   40TRP     CA  552   2.049   0.203  -0.596
   40TRP     HA  553   2.048   0.102  -0.635
   40TRP     CB  554   2.132   0.295  -0.690
   40TRP    HB1  555   2.133   0.396  -0.644
   40TRP    HB2  556   2.079   0.304  -0.787
   40TRP     CG  557   2.274   0.256  -0.720
   40TRP    CD1  558   2.329   0.129  -0.727
   40TRP    HD1  559   2.275   0.037  -0.706
   40TRP    NE1  560   2.460   0.139  -0.766
   40TRP    HE1  561   2.525   0.064  -0.777
   40TRP    CE2  562   2.493   0.270  -0.784
   40TRP    CD2  563   2.379   0.347  -0.757
   40TRP    CE3  564   2.385   0.486  -0.770
   40TRP    HE3  565   2.300   0.549  -0.746
   40TRP    CZ3  566   2.506   0.544  -0.809
   40TRP    HZ3  567   2.513   0.652  -0.814
   40TRP    CZ2  568   2.613   0.327  -0.823
   40TRP    HZ2  569   2.700   0.267  -0.843
   40TRP    CH2  570   2.618   0.466  -0.836
   40TRP    HH2  571   2.710   0.515  -0.865
   40TRP      C  572   2.111   0.199  -0.457
   40TRP      O  573   2.095   0.292  -0.377
   41THR      N  574   2.181   0.090  -0.424
   41THR     HN  575   2.187   0.012  -0.487
   41THR     CA  576   2.248   0.072  -0.297
   41THR     HA  577   2.247   0.164  -0.241
   41THR     CB  578   2.189  -0.041  -0.212
   41THR     HB  579   2.206  -0.140  -0.261
   41THR    OG1  580   2.048  -0.026  -0.199
   41THR    HG1  581   2.016  -0.005  -0.288
   41THR    CG2  582   2.248  -0.039  -0.071
   41THR   HG21  583   2.222   0.056  -0.020
   41THR   HG22  584   2.359  -0.048  -0.073
   41THR   HG23  585   2.207  -0.124  -0.012
   41THR      C  586   2.391   0.034  -0.330
   41THR      O  587   2.418  -0.060  -0.401
   42HSD      N  588   2.487   0.112  -0.276
   42HSD     HN  589   2.466   0.186  -0.213
   42HSD     CA  590   2.626   0.095  -0.313
   42HSD     HA  591   2.647  -0.009  -0.330
   42HSD     CB  592   2.663   0.176  -0.440
   42HSD    HB1  593   2.598   0.142  -0.523
   42HSD    HB2  594   2.768   0.158  -0.470
   42HSD    ND1  595   2.739   0.414  -0.384
   42HSD    HD1  596   2.832   0.391  -0.348
   42HSD     CG  597   2.642   0.323  -0.423
   42HSD    CE1  598   2.684   0.535  -0.388
   42HSD    HE1  599   2.736   0.628  -0.360
   42HSD    NE2  600   2.559   0.531  -0.428
   42HSD    CD2  601   2.533   0.399  -0.451
   42HSD    HD2  602   2.434   0.368  -0.485
   42HSD      C  603   2.709   0.136  -0.195
   42HSD      O  604   2.658   0.188  -0.096
   43ALA      N  605   2.840   0.106  -0.200
   43ALA     HN  606   2.875   0.055  -0.279
   43ALA     CA  607   2.936   0.143  -0.099
   43ALA     HA  608   2.900   0.101  -0.007
   43ALA     CB  609   3.074   0.082  -0.131
   43ALA    HB1  610   3.113   0.125  -0.225
   43ALA    HB2  611   3.065  -0.028  -0.142
   43ALA    HB3  612   3.146   0.103  -0.048
   43ALA      C  613   2.950   0.293  -0.077
   43ALA      O  614   2.931   0.375  -0.168
   44THR      N  615   2.987   0.335   0.043
   44THR     HN  616   3.004   0.271   0.119
   44THR     CA  617   2.998   0.477   0.079
   44THR     HA  618   2.908   0.526   0.045
   44THR     CB  619   3.010   0.498   0.229
   44THR     HB  620   3.037   0.602   0.254
   44THR    OG1  621   3.105   0.407   0.285
   44THR    HG1  622   3.099   0.415   0.380
   44THR    CG2  623   2.873   0.466   0.292
   44THR   HG21  624   2.840   0.363   0.268
   44THR   HG22  625   2.797   0.537   0.252
   44THR   HG23  626   2.877   0.476   0.402
   44THR      C  627   3.114   0.548   0.011
   44THR      O  628   3.115   0.671  -0.002
   45ASN      N  629   3.215   0.472  -0.035
   45ASN     HN  630   3.209   0.373  -0.023
   45ASN     CA  631   3.338   0.525  -0.090
   45ASN     HA  632   3.341   0.632  -0.078
   45ASN     CB  633   3.457   0.463  -0.011
   45ASN    HB1  634   3.448   0.498   0.094
   45ASN    HB2  635   3.553   0.501  -0.051
   45ASN     CG  636   3.460   0.310  -0.012
   45ASN    OD1  637   3.392   0.241  -0.089
   45ASN    ND2  638   3.539   0.254   0.082
   45ASN   HD21  639   3.530   0.154   0.093
   45ASN   HD22  640   3.573   0.310   0.157
   45ASN      C  641   3.352   0.498  -0.240
   45ASN      O  642   3.450   0.537  -0.304
   46SER      N  643   3.254   0.432  -0.303
   46SER     HN  644   3.169   0.407  -0.257
   46SER     CA  645   3.270   0.387  -0.440
   46SER     HA  646   3.310   0.469  -0.498
   46SER     CB  647   3.364   0.264  -0.458
   46SER    HB1  648   3.466   0.292  -0.424
   46SER    HB2  649   3.372   0.235  -0.565
   46SER     OG  650   3.319   0.152  -0.382
   46SER    HG1  651   3.342   0.173  -0.289
   46SER      C  652   3.134   0.358  -0.497
   46SER      O  653   3.033   0.361  -0.428
   47SER      N  654   3.126   0.330  -0.627
   47SER     HN  655   3.205   0.325  -0.687
   47SER     CA  656   3.001   0.303  -0.696
   47SER     HA  657   2.918   0.348  -0.644
   47SER     CB  658   3.010   0.361  -0.839
   47SER    HB1  659   3.018   0.471  -0.830
   47SER    HB2  660   2.918   0.339  -0.899
   47SER     OG  661   3.126   0.312  -0.907
   47SER    HG1  662   3.102   0.225  -0.942
   47SER      C  663   2.976   0.154  -0.703
   47SER      O  664   2.898   0.106  -0.785
   48THR      N  665   3.045   0.076  -0.617
   48THR     HN  666   3.099   0.121  -0.546
   48THR     CA  667   3.034  -0.069  -0.610
   48THR     HA  668   3.033  -0.108  -0.711
   48THR     CB  669   3.148  -0.135  -0.532
   48THR     HB  670   3.142  -0.109  -0.424
   48THR    OG1  671   3.275  -0.090  -0.579
   48THR    HG1  672   3.279   0.004  -0.560
   48THR    CG2  673   3.145  -0.288  -0.549
   48THR   HG21  674   3.148  -0.315  -0.656
   48THR   HG22  675   3.054  -0.332  -0.503
   48THR   HG23  676   3.234  -0.333  -0.499
   48THR      C  677   2.906  -0.105  -0.541
   48THR      O  678   2.884  -0.066  -0.426
   49ASN      N  679   2.816  -0.178  -0.609
   49ASN     HN  680   2.834  -0.203  -0.704
   49ASN     CA  681   2.688  -0.219  -0.553
   49ASN     HA  682   2.636  -0.129  -0.524
   49ASN     CB  683   2.599  -0.297  -0.653
   49ASN    HB1  684   2.511  -0.340  -0.600
   49ASN    HB2  685   2.656  -0.382  -0.697
   49ASN     CG  686   2.547  -0.209  -0.767
   49ASN    OD1  687   2.612  -0.116  -0.815
   49ASN    ND2  688   2.422  -0.236  -0.811
   49ASN   HD21  689   2.371  -0.313  -0.771
   49ASN   HD22  690   2.384  -0.183  -0.886
   49ASN      C  691   2.703  -0.304  -0.426
   49ASN      O  692   2.790  -0.389  -0.413
   50CYS      N  693   2.612  -0.281  -0.328
   50CYS     HN  694   2.546  -0.207  -0.337
   50CYS     CA  695   2.604  -0.368  -0.212
   50CYS     HA  696   2.696  -0.423  -0.197
   50CYS     CB  697   2.571  -0.287  -0.083
   50CYS    HB1  698   2.551  -0.358   0.000
   50CYS    HB2  699   2.479  -0.228  -0.100
   50CYS     SG  700   2.707  -0.178  -0.035
   50CYS      C  701   2.494  -0.469  -0.231
   50CYS      O  702   2.489  -0.572  -0.164
   51TYR      N  703   2.405  -0.443  -0.329
   51TYR     HN  704   2.413  -0.361  -0.384
   51TYR     CA  705   2.299  -0.531  -0.367
   51TYR     HA  706   2.326  -0.634  -0.348
   51TYR     CB  707   2.169  -0.493  -0.291
   51TYR    HB1  708   2.141  -0.388  -0.313
   51TYR    HB2  709   2.188  -0.501  -0.182
   51TYR     CG  710   2.053  -0.583  -0.325
   51TYR    CD1  711   2.028  -0.699  -0.249
   51TYR    HD1  712   2.096  -0.726  -0.170
   51TYR    CE1  713   1.916  -0.778  -0.275
   51TYR    HE1  714   1.898  -0.866  -0.215
   51TYR     CZ  715   1.826  -0.742  -0.375
   51TYR     OH  716   1.707  -0.816  -0.394
   51TYR     HH  717   1.654  -0.774  -0.463
   51TYR    CD2  718   1.963  -0.550  -0.428
   51TYR    HD2  719   1.983  -0.463  -0.489
   51TYR    CE2  720   1.850  -0.628  -0.453
   51TYR    HE2  721   1.781  -0.603  -0.532
   51TYR      C  722   2.286  -0.515  -0.517
   51TYR      O  723   2.274  -0.402  -0.567
   52ASP      N  724   2.289  -0.624  -0.594
   52ASP     HN  725   2.297  -0.716  -0.554
   52ASP     CA  726   2.274  -0.619  -0.738
   52ASP     HA  727   2.208  -0.536  -0.762
   52ASP     CB  728   2.410  -0.605  -0.812
   52ASP    HB1  729   2.462  -0.703  -0.818
   52ASP    HB2  730   2.476  -0.538  -0.753
   52ASP     CG  731   2.399  -0.545  -0.951
   52ASP    OD1  732   2.283  -0.513  -0.995
   52ASP    OD2  733   2.500  -0.526  -1.018
   52ASP      C  734   2.200  -0.747  -0.775
   52ASP      O  735   2.226  -0.855  -0.722
   53GLY      N  736   2.102  -0.739  -0.867
   53GLY     HN  737   2.092  -0.654  -0.919
   53GLY     CA  738   2.007  -0.848  -0.888
   53GLY    HA1  739   2.062  -0.938  -0.911
   53GLY    HA2  740   1.941  -0.819  -0.969
   53GLY      C  741   1.921  -0.877  -0.768
   53GLY      O  742   1.852  -0.787  -0.717
   54ASN      N  743   1.920  -1.003  -0.720
   54ASN     HN  744   1.971  -1.077  -0.764
   54ASN     CA  745   1.845  -1.046  -0.603
   54ASN     HA  746   1.794  -0.961  -0.562
   54ASN     CB  747   1.736  -1.151  -0.638
   54ASN    HB1  748   1.657  -1.099  -0.696
   54ASN    HB2  749   1.690  -1.190  -0.545
   54ASN     CG  750   1.783  -1.270  -0.720
   54ASN    OD1  751   1.903  -1.287  -0.751
   54ASN    ND2  752   1.688  -1.354  -0.764
   54ASN   HD21  753   1.591  -1.338  -0.742
   54ASN   HD22  754   1.715  -1.440  -0.805
   54ASN      C  755   1.938  -1.092  -0.491
   54ASN      O  756   1.898  -1.164  -0.400
   55THR      N  757   2.065  -1.050  -0.495
   55THR     HN  758   2.096  -0.987  -0.567
   55THR     CA  759   2.167  -1.095  -0.402
   55THR     HA  760   2.119  -1.139  -0.316
   55THR     CB  761   2.264  -1.199  -0.460
   55THR     HB  762   2.356  -1.210  -0.398
   55THR    OG1  763   2.299  -1.168  -0.594
   55THR    HG1  764   2.338  -1.079  -0.594
   55THR    CG2  765   2.192  -1.335  -0.460
   55THR   HG21  766   2.104  -1.334  -0.527
   55THR   HG22  767   2.157  -1.361  -0.358
   55THR   HG23  768   2.260  -1.416  -0.495
   55THR      C  769   2.247  -0.980  -0.348
   55THR      O  770   2.267  -0.877  -0.412
   56TRP      N  771   2.298  -0.996  -0.225
   56TRP     HN  772   2.282  -1.079  -0.174
   56TRP     CA  773   2.385  -0.899  -0.162
   56TRP     HA  774   2.362  -0.800  -0.199
   56TRP     CB  775   2.372  -0.900  -0.007
   56TRP    HB1  776   2.447  -0.832   0.038
   56TRP    HB2  777   2.393  -1.002   0.031
   56TRP     CG  778   2.237  -0.857   0.043
   56TRP    CD1  779   2.128  -0.936   0.067
   56TRP    HD1  780   2.122  -1.042   0.047
   56TRP    NE1  781   2.026  -0.859   0.120
   56TRP    HE1  782   1.936  -0.888   0.142
   56TRP    CE2  783   2.070  -0.730   0.132
   56TRP    CD2  784   2.202  -0.724   0.084
   56TRP    CE3  785   2.271  -0.603   0.086
   56TRP    HE3  786   2.373  -0.595   0.052
   56TRP    CZ3  787   2.205  -0.489   0.134
   56TRP    HZ3  788   2.257  -0.394   0.137
   56TRP    CZ2  789   2.006  -0.618   0.184
   56TRP    HZ2  790   1.906  -0.625   0.222
   56TRP    CH2  791   2.076  -0.497   0.184
   56TRP    HH2  792   2.029  -0.408   0.224
   56TRP      C  793   2.530  -0.927  -0.196
   56TRP      O  794   2.570  -1.039  -0.225
   57SER      N  795   2.614  -0.822  -0.189
   57SER     HN  796   2.577  -0.731  -0.170
   57SER     CA  797   2.759  -0.836  -0.192
   57SER     HA  798   2.785  -0.901  -0.273
   57SER     CB  799   2.829  -0.699  -0.213
   57SER    HB1  800   2.798  -0.630  -0.131
   57SER    HB2  801   2.793  -0.655  -0.309
   57SER     OG  802   2.971  -0.711  -0.215
   57SER    HG1  803   2.993  -0.761  -0.295
   57SER      C  804   2.811  -0.899  -0.064
   57SER      O  805   2.783  -0.852   0.046
   58SER      N  806   2.889  -1.007  -0.073
   58SER     HN  807   2.920  -1.045  -0.160
   58SER     CA  808   2.932  -1.080   0.045
   58SER     HA  809   2.850  -1.084   0.116
   58SER     CB  810   2.969  -1.227   0.010
   58SER    HB1  811   2.877  -1.277  -0.026
   58SER    HB2  812   3.003  -1.281   0.102
   58SER     OG  813   3.069  -1.236  -0.092
   58SER    HG1  814   3.093  -1.329  -0.093
   58SER      C  815   3.048  -1.015   0.118
   58SER      O  816   3.070  -1.036   0.237
   59THR      N  817   3.124  -0.928   0.048
   59THR     HN  818   3.107  -0.912  -0.049
   59THR     CA  819   3.240  -0.861   0.105
   59THR     HA  820   3.281  -0.920   0.186
   59THR     CB  821   3.350  -0.839   0.001
   59THR     HB  822   3.431  -0.775   0.041
   59THR    OG1  823   3.295  -0.782  -0.118
   59THR    HG1  824   3.366  -0.741  -0.168
   59THR    CG2  825   3.411  -0.975  -0.037
   59THR   HG21  826   3.333  -1.042  -0.082
   59THR   HG22  827   3.451  -1.025   0.054
   59THR   HG23  828   3.493  -0.962  -0.110
   59THR      C  829   3.205  -0.725   0.163
   59THR      O  830   3.271  -0.676   0.254
   60LEU      N  831   3.098  -0.660   0.112
   60LEU     HN  832   3.053  -0.695   0.030
   60LEU     CA  833   3.050  -0.535   0.168
   60LEU     HA  834   3.130  -0.484   0.219
   60LEU     CB  835   2.992  -0.442   0.058
   60LEU    HB1  836   2.942  -0.353   0.104
   60LEU    HB2  837   2.915  -0.498   0.001
   60LEU     CG  838   3.098  -0.388  -0.041
   60LEU     HG  839   3.159  -0.475  -0.077
   60LEU    CD1  840   3.030  -0.326  -0.164
   60LEU   HD11  841   2.968  -0.238  -0.134
   60LEU   HD12  842   2.963  -0.400  -0.213
   60LEU   HD13  843   3.105  -0.292  -0.238
   60LEU    CD2  844   3.191  -0.286   0.026
   60LEU   HD21  845   3.244  -0.331   0.113
   60LEU   HD22  846   3.132  -0.199   0.063
   60LEU   HD23  847   3.267  -0.250  -0.045
   60LEU      C  848   2.942  -0.558   0.271
   60LEU      O  849   2.922  -0.476   0.360
   61CYS      N  850   2.874  -0.675   0.264
   61CYS     HN  851   2.893  -0.741   0.192
   61CYS     CA  852   2.765  -0.710   0.353
   61CYS     HA  853   2.767  -0.647   0.440
   61CYS     CB  854   2.628  -0.690   0.283
   61CYS    HB1  855   2.546  -0.724   0.350
   61CYS    HB2  856   2.621  -0.753   0.191
   61CYS     SG  857   2.603  -0.516   0.238
   61CYS      C  858   2.780  -0.853   0.402
   61CYS      O  859   2.703  -0.942   0.361
   62PRO      N  860   2.875  -0.885   0.489
   62PRO     CD  861   2.985  -0.797   0.531
   62PRO    HD1  862   2.947  -0.698   0.565
   62PRO    HD2  863   3.055  -0.784   0.445
   62PRO     CA  864   2.884  -1.016   0.552
   62PRO     HA  865   2.868  -1.093   0.477
   62PRO     CB  866   3.026  -1.018   0.610
   62PRO    HB1  867   3.096  -1.052   0.529
   62PRO    HB2  868   3.038  -1.086   0.697
   62PRO     CG  869   3.056  -0.872   0.644
   62PRO    HG1  870   3.011  -0.846   0.742
   62PRO    HG2  871   3.165  -0.851   0.647
   62PRO      C  872   2.777  -1.035   0.660
   62PRO      O  873   2.736  -1.147   0.686
   63ASP      N  874   2.740  -0.926   0.730
   63ASP     HN  875   2.781  -0.838   0.711
   63ASP     CA  876   2.642  -0.925   0.836
   63ASP     HA  877   2.570  -1.005   0.818
   63ASP     CB  878   2.708  -0.944   0.976
   63ASP    HB1  879   2.753  -1.045   0.980
   63ASP    HB2  880   2.630  -0.941   1.055
   63ASP     CG  881   2.816  -0.842   1.007
   63ASP    OD1  882   2.935  -0.876   1.005
   63ASP    OD2  883   2.782  -0.720   1.031
   63ASP      C  884   2.563  -0.796   0.828
   63ASP      O  885   2.601  -0.701   0.758
   64ASN      N  886   2.449  -0.792   0.898
   64ASN     HN  887   2.422  -0.871   0.955
   64ASN     CA  888   2.355  -0.681   0.896
   64ASN     HA  889   2.323  -0.668   0.793
   64ASN     CB  890   2.232  -0.714   0.984
   64ASN    HB1  891   2.162  -0.628   0.988
   64ASN    HB2  892   2.265  -0.738   1.087
   64ASN     CG  893   2.153  -0.831   0.927
   64ASN    OD1  894   2.163  -0.867   0.810
   64ASN    ND2  895   2.068  -0.892   1.013
   64ASN   HD21  896   2.017  -0.970   0.979
   64ASN   HD22  897   2.076  -0.874   1.111
   64ASN      C  898   2.412  -0.548   0.941
   64ASN      O  899   2.389  -0.444   0.876
   65GLU      N  900   2.489  -0.544   1.051
   65GLU     HN  901   2.510  -0.629   1.102
   65GLU     CA  902   2.555  -0.424   1.097
   65GLU     HA  903   2.480  -0.346   1.103
   65GLU     CB  904   2.618  -0.439   1.238
   65GLU    HB1  905   2.690  -0.356   1.251
   65GLU    HB2  906   2.678  -0.533   1.245
   65GLU     CG  907   2.519  -0.429   1.356
   65GLU    HG1  908   2.479  -0.530   1.380
   65GLU    HG2  909   2.433  -0.364   1.329
   65GLU     CD  910   2.586  -0.370   1.480
   65GLU    OE1  911   2.639  -0.252   1.461
   65GLU    OE2  912   2.595  -0.430   1.585
   65GLU      C  913   2.662  -0.373   1.004
   65GLU      O  914   2.668  -0.252   0.974
   66THR      N  915   2.751  -0.460   0.956
   66THR     HN  916   2.746  -0.558   0.984
   66THR     CA  917   2.862  -0.424   0.868
   66THR     HA  918   2.915  -0.343   0.916
   66THR     CB  919   2.961  -0.538   0.847
   66THR     HB  920   2.908  -0.627   0.807
   66THR    OG1  921   3.019  -0.571   0.972
   66THR    HG1  922   2.958  -0.640   1.008
   66THR    CG2  923   3.075  -0.498   0.752
   66THR   HG21  924   3.124  -0.404   0.786
   66THR   HG22  925   3.038  -0.483   0.649
   66THR   HG23  926   3.151  -0.579   0.749
   66THR      C  927   2.814  -0.367   0.737
   66THR      O  928   2.866  -0.265   0.689
   67CYS      N  929   2.710  -0.427   0.679
   67CYS     HN  930   2.670  -0.509   0.722
   67CYS     CA  931   2.645  -0.380   0.558
   67CYS     HA  932   2.718  -0.382   0.478
   67CYS     CB  933   2.529  -0.477   0.527
   67CYS    HB1  934   2.452  -0.468   0.606
   67CYS    HB2  935   2.568  -0.581   0.535
   67CYS     SG  936   2.455  -0.458   0.362
   67CYS      C  937   2.590  -0.239   0.568
   67CYS      O  938   2.612  -0.155   0.481
   68ALA      N  939   2.520  -0.206   0.678
   68ALA     HN  940   2.504  -0.274   0.749
   68ALA     CA  941   2.465  -0.073   0.700
   68ALA     HA  942   2.401  -0.049   0.617
   68ALA     CB  943   2.383  -0.074   0.830
   68ALA    HB1  944   2.445  -0.100   0.918
   68ALA    HB2  945   2.303  -0.150   0.820
   68ALA    HB3  946   2.335   0.024   0.847
   68ALA      C  947   2.570   0.037   0.710
   68ALA      O  948   2.552   0.148   0.657
   69LYS      N  949   2.681   0.008   0.779
   69LYS     HN  950   2.689  -0.083   0.820
   69LYS     CA  951   2.797   0.095   0.791
   69LYS     HA  952   2.761   0.191   0.826
   69LYS     CB  953   2.899   0.039   0.894
   69LYS    HB1  954   2.988   0.106   0.897
   69LYS    HB2  955   2.933  -0.061   0.857
   69LYS     CG  956   2.841   0.024   1.036
   69LYS    HG1  957   2.749  -0.038   1.029
   69LYS    HG2  958   2.809   0.124   1.074
   69LYS     CD  959   2.938  -0.042   1.136
   69LYS    HD1  960   2.998   0.034   1.189
   69LYS    HD2  961   3.010  -0.102   1.075
   69LYS     CE  962   2.874  -0.139   1.237
   69LYS    HE1  963   2.951  -0.183   1.304
   69LYS    HE2  964   2.827  -0.222   1.180
   69LYS     NZ  965   2.769  -0.076   1.322
   69LYS    HZ1  966   2.693  -0.037   1.263
   69LYS    HZ2  967   2.805  -0.003   1.386
   69LYS    HZ3  968   2.723  -0.150   1.384
   69LYS      C  969   2.868   0.122   0.659
   69LYS      O  970   2.914   0.234   0.632
   70ASN      N  971   2.880   0.019   0.573
   70ASN     HN  972   2.842  -0.071   0.598
   70ASN     CA  973   2.956   0.024   0.450
   70ASN     HA  974   3.041   0.089   0.462
   70ASN     CB  975   3.002  -0.119   0.410
   70ASN    HB1  976   3.044  -0.119   0.307
   70ASN    HB2  977   2.916  -0.189   0.414
   70ASN     CG  978   3.112  -0.173   0.502
   70ASN    OD1  979   3.163  -0.109   0.595
   70ASN    ND2  980   3.153  -0.298   0.472
   70ASN   HD21  981   3.099  -0.353   0.410
   70ASN   HD22  982   3.232  -0.334   0.523
   70ASN      C  983   2.876   0.077   0.332
   70ASN      O  984   2.934   0.109   0.228
   71CYS      N  985   2.742   0.086   0.343
   71CYS     HN  986   2.697   0.062   0.428
   71CYS     CA  987   2.656   0.108   0.228
   71CYS     HA  988   2.717   0.134   0.142
   71CYS     CB  989   2.575  -0.020   0.190
   71CYS    HB1  990   2.516  -0.002   0.099
   71CYS    HB2  991   2.505  -0.043   0.273
   71CYS     SG  992   2.684  -0.164   0.165
   71CYS      C  993   2.561   0.223   0.248
   71CYS      O  994   2.530   0.270   0.359
   72CYS      N  995   2.511   0.277   0.137
   72CYS     HN  996   2.537   0.242   0.046
   72CYS     CA  997   2.427   0.393   0.137
   72CYS     HA  998   2.374   0.400   0.230
   72CYS     CB  999   2.509   0.522   0.114
   72CYS    HB1 1000   2.574   0.537   0.203
   72CYS    HB2 1001   2.441   0.610   0.108
   72CYS     SG 1002   2.617   0.518  -0.032
   72CYS      C 1003   2.321   0.380   0.030
   72CYS      O 1004   2.333   0.301  -0.063
   73LEU      N 1005   2.213   0.458   0.047
   73LEU     HN 1006   2.206   0.518   0.126
   73LEU     CA 1007   2.108   0.473  -0.051
   73LEU     HA 1008   2.110   0.390  -0.121
   73LEU     CB 1009   1.969   0.484   0.016
   73LEU    HB1 1010   1.891   0.498  -0.062
   73LEU    HB2 1011   1.968   0.574   0.082
   73LEU     CG 1012   1.930   0.362   0.102
   73LEU     HG 1013   2.013   0.340   0.174
   73LEU    CD1 1014   1.805   0.394   0.185
   73LEU   HD11 1015   1.719   0.417   0.119
   73LEU   HD12 1016   1.822   0.482   0.251
   73LEU   HD13 1017   1.777   0.307   0.248
   73LEU    CD2 1018   1.907   0.236   0.016
   73LEU   HD21 1019   1.999   0.209  -0.039
   73LEU   HD22 1020   1.826   0.253  -0.057
   73LEU   HD23 1021   1.878   0.150   0.080
   73LEU      C 1022   2.137   0.600  -0.128
   73LEU      O 1023   2.188   0.697  -0.072
   74ASP      N 1024   2.103   0.602  -0.258
   74ASP     HN 1025   2.062   0.523  -0.302
   74ASP     CA 1026   2.131   0.716  -0.343
   74ASP     HA 1027   2.161   0.800  -0.282
   74ASP     CB 1028   2.248   0.684  -0.442
   74ASP    HB1 1029   2.212   0.631  -0.532
   74ASP    HB2 1030   2.320   0.617  -0.390
   74ASP     CG 1031   2.325   0.810  -0.483
   74ASP    OD1 1032   2.259   0.899  -0.546
   74ASP    OD2 1033   2.445   0.826  -0.456
   74ASP      C 1034   2.000   0.757  -0.410
   74ASP      O 1035   1.897   0.689  -0.401
   75GLY      N 1036   2.001   0.877  -0.471
   75GLY     HN 1037   2.092   0.919  -0.481
   75GLY     CA 1038   1.890   0.943  -0.537
   75GLY    HA1 1039   1.930   1.031  -0.585
   75GLY    HA2 1040   1.818   0.967  -0.461
   75GLY      C 1041   1.818   0.865  -0.644
   75GLY      O 1042   1.864   0.765  -0.696
   76ALA      N 1043   1.698   0.915  -0.679
   76ALA     HN 1044   1.663   0.997  -0.634
   76ALA     CA 1045   1.609   0.850  -0.771
   76ALA     HA 1046   1.658   0.765  -0.817
   76ALA     CB 1047   1.485   0.800  -0.693
   76ALA    HB1 1048   1.439   0.885  -0.637
   76ALA    HB2 1049   1.515   0.723  -0.619
   76ALA    HB3 1050   1.409   0.756  -0.760
   76ALA      C 1051   1.567   0.944  -0.883
   76ALA      O 1052   1.528   1.059  -0.863
   77ALA      N 1053   1.573   0.897  -1.009
   77ALA     HN 1054   1.607   0.805  -1.027
   77ALA     CA 1055   1.521   0.971  -1.121
   77ALA     HA 1056   1.521   1.077  -1.099
   77ALA     CB 1057   1.603   0.949  -1.250
   77ALA    HB1 1058   1.612   0.841  -1.273
   77ALA    HB2 1059   1.704   0.992  -1.236
   77ALA    HB3 1060   1.555   1.001  -1.335
   77ALA      C 1061   1.377   0.928  -1.143
   77ALA      O 1062   1.347   0.835  -1.218
   78TYR      N 1063   1.283   0.997  -1.076
   78TYR     HN 1064   1.312   1.069  -1.014
   78TYR     CA 1065   1.145   0.956  -1.066
   78TYR     HA 1066   1.141   0.860  -1.015
   78TYR     CB 1067   1.064   1.060  -0.985
   78TYR    HB1 1068   0.954   1.046  -0.996
   78TYR    HB2 1069   1.088   1.163  -1.019
   78TYR     CG 1070   1.097   1.048  -0.839
   78TYR    CD1 1071   1.212   1.109  -0.785
   78TYR    HD1 1072   1.280   1.165  -0.847
   78TYR    CE1 1073   1.243   1.094  -0.649
   78TYR    HE1 1074   1.333   1.138  -0.609
   78TYR     CZ 1075   1.157   1.024  -0.565
   78TYR     OH 1076   1.188   1.007  -0.428
   78TYR     HH 1077   1.270   1.057  -0.407
   78TYR    CD2 1078   1.010   0.979  -0.753
   78TYR    HD2 1079   0.921   0.933  -0.792
   78TYR    CE2 1080   1.039   0.968  -0.617
   78TYR    HE2 1081   0.971   0.915  -0.551
   78TYR      C 1082   1.075   0.935  -1.199
   78TYR      O 1083   1.010   0.832  -1.221
   79ALA      N 1084   1.089   1.029  -1.293
   79ALA     HN 1085   1.146   1.109  -1.275
   79ALA     CA 1086   1.014   1.023  -1.416
   79ALA     HA 1087   0.913   0.992  -1.393
   79ALA     CB 1088   1.010   1.164  -1.478
   79ALA    HB1 1089   1.110   1.195  -1.516
   79ALA    HB2 1090   0.978   1.238  -1.403
   79ALA    HB3 1091   0.937   1.166  -1.561
   79ALA      C 1092   1.069   0.924  -1.516
   79ALA      O 1093   0.995   0.849  -1.580
   80SER      N 1094   1.202   0.920  -1.534
   80SER     HN 1095   1.263   0.975  -1.477
   80SER     CA 1096   1.263   0.843  -1.641
   80SER     HA 1097   1.194   0.837  -1.725
   80SER     CB 1098   1.394   0.908  -1.692
   80SER    HB1 1099   1.367   1.003  -1.741
   80SER    HB2 1100   1.444   0.844  -1.768
   80SER     OG 1101   1.483   0.937  -1.584
   80SER    HG1 1102   1.506   0.853  -1.542
   80SER      C 1103   1.295   0.700  -1.604
   80SER      O 1104   1.314   0.617  -1.692
   81THR      N 1105   1.302   0.669  -1.474
   81THR     HN 1106   1.293   0.738  -1.403
   81THR     CA 1107   1.339   0.535  -1.430
   81THR     HA 1108   1.367   0.472  -1.513
   81THR     CB 1109   1.453   0.536  -1.330
   81THR     HB 1110   1.428   0.600  -1.242
   81THR    OG1 1111   1.569   0.591  -1.393
   81THR    HG1 1112   1.598   0.521  -1.451
   81THR    CG2 1113   1.490   0.396  -1.280
   81THR   HG21 1114   1.517   0.329  -1.365
   81THR   HG22 1115   1.407   0.349  -1.224
   81THR   HG23 1116   1.576   0.401  -1.210
   81THR      C 1117   1.221   0.468  -1.365
   81THR      O 1118   1.196   0.351  -1.388
   82TYR      N 1119   1.146   0.543  -1.282
   82TYR     HN 1120   1.166   0.638  -1.263
   82TYR     CA 1121   1.043   0.482  -1.199
   82TYR     HA 1122   1.054   0.375  -1.199
   82TYR     CB 1123   1.057   0.532  -1.052
   82TYR    HB1 1124   0.980   0.484  -0.988
   82TYR    HB2 1125   1.045   0.642  -1.045
   82TYR     CG 1126   1.193   0.492  -1.000
   82TYR    CD1 1127   1.219   0.358  -0.970
   82TYR    HD1 1128   1.139   0.286  -0.981
   82TYR    CE1 1129   1.345   0.316  -0.926
   82TYR    HE1 1130   1.364   0.212  -0.905
   82TYR     CZ 1131   1.448   0.410  -0.911
   82TYR     OH 1132   1.575   0.369  -0.867
   82TYR     HH 1133   1.566   0.276  -0.840
   82TYR    CD2 1134   1.297   0.586  -0.983
   82TYR    HD2 1135   1.278   0.690  -1.005
   82TYR    CE2 1136   1.424   0.545  -0.940
   82TYR    HE2 1137   1.503   0.616  -0.928
   82TYR      C 1138   0.904   0.510  -1.250
   82TYR      O 1139   0.806   0.454  -1.198
   83GLY      N 1140   0.888   0.594  -1.354
   83GLY     HN 1141   0.968   0.638  -1.393
   83GLY     CA 1142   0.758   0.624  -1.415
   83GLY    HA1 1143   0.709   0.530  -1.439
   83GLY    HA2 1144   0.776   0.685  -1.502
   83GLY      C 1145   0.666   0.701  -1.325
   83GLY      O 1146   0.543   0.691  -1.334
   84VAL      N 1147   0.723   0.783  -1.236
   84VAL     HN 1148   0.823   0.788  -1.232
   84VAL     CA 1149   0.650   0.859  -1.138
   84VAL     HA 1150   0.547   0.827  -1.134
   84VAL     CB 1151   0.710   0.845  -0.998
   84VAL     HB 1152   0.819   0.869  -1.002
   84VAL    CG1 1153   0.641   0.938  -0.896
   84VAL   HG11 1154   0.531   0.920  -0.897
   84VAL   HG12 1155   0.660   1.045  -0.919
   84VAL   HG13 1156   0.678   0.918  -0.794
   84VAL    CG2 1157   0.695   0.698  -0.953
   84VAL   HG21 1158   0.748   0.629  -1.022
   84VAL   HG22 1159   0.588   0.668  -0.951
   84VAL   HG23 1160   0.737   0.683  -0.852
   84VAL      C 1161   0.652   1.004  -1.181
   84VAL      O 1162   0.756   1.063  -1.211
   85THR      N 1163   0.533   1.066  -1.187
   85THR     HN 1164   0.449   1.018  -1.160
   85THR     CA 1165   0.521   1.204  -1.230
   85THR     HA 1166   0.611   1.257  -1.206
   85THR     CB 1167   0.489   1.224  -1.379
   85THR     HB 1168   0.458   1.329  -1.398
   85THR    OG1 1169   0.386   1.139  -1.425
   85THR    HG1 1170   0.409   1.051  -1.392
   85THR    CG2 1171   0.614   1.197  -1.465
   85THR   HG21 1172   0.646   1.091  -1.456
   85THR   HG22 1173   0.698   1.262  -1.434
   85THR   HG23 1174   0.591   1.216  -1.572
   85THR      C 1175   0.411   1.269  -1.150
   85THR      O 1176   0.318   1.204  -1.103
   86THR      N 1177   0.421   1.401  -1.131
   86THR     HN 1178   0.496   1.454  -1.168
   86THR     CA 1179   0.321   1.478  -1.059
   86THR     HA 1180   0.230   1.420  -1.052
   86THR     CB 1181   0.359   1.525  -0.919
   86THR     HB 1182   0.279   1.588  -0.874
   86THR    OG1 1183   0.481   1.600  -0.915
   86THR    HG1 1184   0.485   1.629  -0.822
   86THR    CG2 1185   0.375   1.402  -0.827
   86THR   HG21 1186   0.453   1.332  -0.865
   86THR   HG22 1187   0.279   1.347  -0.822
   86THR   HG23 1188   0.402   1.433  -0.724
   86THR      C 1189   0.288   1.600  -1.142
   86THR      O 1190   0.360   1.638  -1.234
   87SER      N 1191   0.174   1.663  -1.109
   87SER     HN 1192   0.117   1.625  -1.036
   87SER     CA 1193   0.130   1.785  -1.175
   87SER     HA 1194   0.211   1.855  -1.177
   87SER     CB 1195   0.074   1.762  -1.318
   87SER    HB1 1196  -0.013   1.693  -1.316
   87SER    HB2 1197   0.153   1.714  -1.379
   87SER     OG 1198   0.037   1.885  -1.383
   87SER    HG1 1199  -0.032   1.927  -1.330
   87SER      C 1200   0.020   1.842  -1.089
   87SER      O 1201  -0.095   1.795  -1.092
   88GLY      N 1202   0.049   1.945  -1.009
   88GLY     HN 1203   0.142   1.985  -1.012
   88GLY     CA 1204  -0.045   2.001  -0.913
   88GLY    HA1 1205  -0.135   2.028  -0.967
   88GLY    HA2 1206   0.002   2.087  -0.867
   88GLY      C 1207  -0.083   1.907  -0.801
   88GLY      O 1208  -0.000   1.865  -0.721
   89ASN      N 1209  -0.212   1.870  -0.795
   89ASN     HN 1210  -0.278   1.897  -0.865
   89ASN     CA 1211  -0.267   1.782  -0.693
   89ASN     HA 1212  -0.199   1.778  -0.609
   89ASN     CB 1213  -0.404   1.836  -0.641
   89ASN    HB1 1214  -0.386   1.935  -0.595
   89ASN    HB2 1215  -0.442   1.767  -0.563
   89ASN     CG 1216  -0.510   1.853  -0.751
   89ASN    OD1 1217  -0.484   1.845  -0.871
   89ASN    ND2 1218  -0.635   1.882  -0.709
   89ASN   HD21 1219  -0.707   1.879  -0.778
   89ASN   HD22 1220  -0.655   1.893  -0.612
   89ASN      C 1221  -0.282   1.640  -0.746
   89ASN      O 1222  -0.355   1.560  -0.691
   90SER      N 1223  -0.214   1.609  -0.859
   90SER     HN 1224  -0.156   1.678  -0.902
   90SER     CA 1225  -0.223   1.481  -0.928
   90SER     HA 1226  -0.293   1.417  -0.876
   90SER     CB 1227  -0.269   1.498  -1.075
   90SER    HB1 1228  -0.194   1.557  -1.132
   90SER    HB2 1229  -0.364   1.557  -1.074
   90SER     OG 1230  -0.296   1.375  -1.142
   90SER    HG1 1231  -0.213   1.325  -1.148
   90SER      C 1232  -0.089   1.410  -0.927
   90SER      O 1233   0.016   1.473  -0.942
   91LEU      N 1234  -0.094   1.277  -0.912
   91LEU     HN 1235  -0.183   1.231  -0.900
   91LEU     CA 1236   0.019   1.186  -0.910
   91LEU     HA 1237   0.108   1.235  -0.946
   91LEU     CB 1238   0.040   1.129  -0.767
   91LEU    HB1 1239  -0.060   1.095  -0.731
   91LEU    HB2 1240   0.072   1.212  -0.701
   91LEU     CG 1241   0.138   1.011  -0.752
   91LEU     HG 1242   0.109   0.929  -0.823
   91LEU    CD1 1243   0.283   1.050  -0.784
   91LEU   HD11 1244   0.320   1.126  -0.711
   91LEU   HD12 1245   0.292   1.091  -0.886
   91LEU   HD13 1246   0.348   0.961  -0.778
   91LEU    CD2 1247   0.129   0.951  -0.611
   91LEU   HD21 1248   0.026   0.915  -0.591
   91LEU   HD22 1249   0.156   1.027  -0.535
   91LEU   HD23 1250   0.198   0.864  -0.601
   91LEU      C 1251  -0.013   1.072  -1.005
   91LEU      O 1252  -0.120   1.011  -0.996
   92SER      N 1253   0.077   1.041  -1.099
   92SER     HN 1254   0.164   1.090  -1.106
   92SER     CA 1255   0.060   0.928  -1.191
   92SER     HA 1256  -0.029   0.872  -1.165
   92SER     CB 1257   0.052   0.969  -1.340
   92SER    HB1 1258   0.046   0.877  -1.404
   92SER    HB2 1259   0.144   1.025  -1.368
   92SER     OG 1260  -0.063   1.050  -1.367
   92SER    HG1 1261  -0.141   0.997  -1.344
   92SER      C 1262   0.178   0.836  -1.172
   92SER      O 1263   0.291   0.880  -1.157
   93ILE      N 1264   0.150   0.703  -1.170
   93ILE     HN 1265   0.057   0.669  -1.182
   93ILE     CA 1266   0.252   0.600  -1.158
   93ILE     HA 1267   0.351   0.643  -1.167
   93ILE     CB 1268   0.243   0.520  -1.027
   93ILE     HB 1269   0.150   0.457  -1.028
   93ILE    CG2 1270   0.365   0.424  -1.018
   93ILE   HG21 1271   0.460   0.482  -1.020
   93ILE   HG22 1272   0.367   0.352  -1.102
   93ILE   HG23 1273   0.362   0.365  -0.924
   93ILE    CG1 1274   0.232   0.612  -0.902
   93ILE   HG11 1275   0.147   0.683  -0.916
   93ILE   HG12 1276   0.325   0.671  -0.892
   93ILE     CD 1277   0.204   0.535  -0.772
   93ILE    HD1 1278   0.290   0.470  -0.744
   93ILE    HD2 1279   0.115   0.470  -0.783
   93ILE    HD3 1280   0.185   0.605  -0.688
   93ILE      C 1281   0.232   0.506  -1.276
   93ILE      O 1282   0.123   0.448  -1.290
   94ASP      N 1283   0.333   0.488  -1.362
   94ASP     HN 1284   0.419   0.539  -1.351
   94ASP     CA 1285   0.328   0.398  -1.475
   94ASP     HA 1286   0.224   0.383  -1.504
   94ASP     CB 1287   0.406   0.449  -1.600
   94ASP    HB1 1288   0.412   0.368  -1.676
   94ASP    HB2 1289   0.508   0.478  -1.570
   94ASP     CG 1290   0.340   0.566  -1.673
   94ASP    OD1 1291   0.232   0.616  -1.630
   94ASP    OD2 1292   0.395   0.602  -1.780
   94ASP      C 1293   0.382   0.260  -1.435
   94ASP      O 1294   0.479   0.248  -1.362
   95PHE      N 1295   0.313   0.152  -1.479
   95PHE     HN 1296   0.234   0.164  -1.540
   95PHE     CA 1297   0.341   0.016  -1.437
   95PHE     HA 1298   0.337   0.015  -1.328
   95PHE     CB 1299   0.229  -0.075  -1.493
   95PHE    HB1 1300   0.231  -0.069  -1.604
   95PHE    HB2 1301   0.130  -0.039  -1.458
   95PHE     CG 1302   0.240  -0.220  -1.452
   95PHE    CD1 1303   0.259  -0.256  -1.318
   95PHE    HD1 1304   0.270  -0.181  -1.242
   95PHE    CE1 1305   0.265  -0.391  -1.281
   95PHE    HE1 1306   0.282  -0.420  -1.178
   95PHE     CZ 1307   0.249  -0.491  -1.378
   95PHE     HZ 1308   0.254  -0.595  -1.350
   95PHE    CD2 1309   0.224  -0.321  -1.548
   95PHE    HD2 1310   0.209  -0.294  -1.652
   95PHE    CE2 1311   0.228  -0.456  -1.512
   95PHE    HE2 1312   0.214  -0.533  -1.586
   95PHE      C 1313   0.479  -0.038  -1.472
   95PHE      O 1314   0.549  -0.093  -1.388
   96VAL      N 1315   0.523  -0.020  -1.599
   96VAL     HN 1316   0.467   0.029  -1.665
   96VAL     CA 1317   0.652  -0.068  -1.643
   96VAL     HA 1318   0.710  -0.100  -1.558
   96VAL     CB 1319   0.645  -0.187  -1.739
   96VAL     HB 1320   0.584  -0.158  -1.828
   96VAL    CG1 1321   0.786  -0.230  -1.786
   96VAL   HG11 1322   0.850  -0.251  -1.698
   96VAL   HG12 1323   0.834  -0.153  -1.849
   96VAL   HG13 1324   0.778  -0.324  -1.845
   96VAL    CG2 1325   0.577  -0.306  -1.668
   96VAL   HG21 1326   0.473  -0.280  -1.639
   96VAL   HG22 1327   0.632  -0.333  -1.576
   96VAL   HG23 1328   0.573  -0.395  -1.734
   96VAL      C 1329   0.726   0.049  -1.702
   96VAL      O 1330   0.673   0.132  -1.779
   97THR      N 1331   0.852   0.066  -1.664
   97THR     HN 1332   0.892   0.000  -1.599
   97THR     CA 1333   0.937   0.169  -1.718
   97THR     HA 1334   0.892   0.211  -1.807
   97THR     CB 1335   0.966   0.282  -1.620
   97THR     HB 1336   1.021   0.242  -1.532
   97THR    OG1 1337   0.846   0.342  -1.573
   97THR    HG1 1338   0.773   0.307  -1.624
   97THR    CG2 1339   1.045   0.398  -1.683
   97THR   HG21 1340   0.989   0.441  -1.769
   97THR   HG22 1341   1.146   0.366  -1.716
   97THR   HG23 1342   1.058   0.478  -1.607
   97THR      C 1343   1.064   0.100  -1.760
   97THR      O 1344   1.114   0.012  -1.694
   98GLN      N 1345   1.116   0.138  -1.880
   98GLN     HN 1346   1.076   0.211  -1.933
   98GLN     CA 1347   1.241   0.087  -1.930
   98GLN     HA 1348   1.284   0.015  -1.861
   98GLN     CB 1349   1.226   0.022  -2.070
   98GLN    HB1 1350   1.327   0.005  -2.115
   98GLN    HB2 1351   1.173   0.094  -2.136
   98GLN     CG 1352   1.148  -0.112  -2.071
   98GLN    HG1 1353   1.118  -0.134  -2.175
   98GLN    HG2 1354   1.057  -0.104  -2.008
   98GLN     CD 1355   1.231  -0.231  -2.020
   98GLN    OE1 1356   1.347  -0.219  -1.978
   98GLN    NE2 1357   1.173  -0.352  -2.026
   98GLN   HE21 1358   1.224  -0.428  -1.986
   98GLN   HE22 1359   1.077  -0.362  -2.052
   98GLN      C 1360   1.336   0.203  -1.939
   98GLN      O 1361   1.301   0.313  -1.983
   99SER      N 1362   1.459   0.183  -1.892
   99SER     HN 1363   1.484   0.092  -1.857
   99SER     CA 1364   1.563   0.284  -1.892
   99SER     HA 1365   1.553   0.345  -1.980
   99SER     CB 1366   1.558   0.375  -1.766
   99SER    HB1 1367   1.463   0.433  -1.769
   99SER    HB2 1368   1.642   0.448  -1.768
   99SER     OG 1369   1.563   0.301  -1.644
   99SER    HG1 1370   1.486   0.242  -1.642
   99SER      C 1371   1.693   0.209  -1.908
   99SER      O 1372   1.708   0.134  -2.003
  100ALA      N 1373   1.789   0.221  -1.814
  100ALA     HN 1374   1.774   0.279  -1.735
  100ALA     CA 1375   1.905   0.134  -1.812
  100ALA     HA 1376   1.945   0.122  -1.912
  100ALA     CB 1377   2.013   0.192  -1.718
  100ALA    HB1 1378   1.975   0.199  -1.614
  100ALA    HB2 1379   2.044   0.293  -1.752
  100ALA    HB3 1380   2.103   0.126  -1.717
  100ALA      C 1381   1.868  -0.006  -1.762
  100ALA      O 1382   1.939  -0.103  -1.783
  101GLN      N 1383   1.752  -0.014  -1.695
  101GLN     HN 1384   1.698   0.068  -1.677
  101GLN     CA 1385   1.693  -0.137  -1.652
  101GLN     HA 1386   1.714  -0.212  -1.727
  101GLN     CB 1387   1.750  -0.188  -1.516
  101GLN    HB1 1388   1.847  -0.236  -1.540
  101GLN    HB2 1389   1.683  -0.266  -1.474
  101GLN     CG 1390   1.779  -0.081  -1.406
  101GLN    HG1 1391   1.868  -0.022  -1.437
  101GLN    HG2 1392   1.803  -0.130  -1.310
  101GLN     CD 1393   1.668   0.021  -1.381
  101GLN    OE1 1394   1.690   0.141  -1.390
  101GLN    NE2 1395   1.546  -0.027  -1.344
  101GLN   HE21 1396   1.473   0.038  -1.331
  101GLN   HE22 1397   1.529  -0.125  -1.338
  101GLN      C 1398   1.542  -0.126  -1.652
  101GLN      O 1399   1.486  -0.014  -1.656
  102LYS      N 1400   1.473  -0.240  -1.654
  102LYS     HN 1401   1.522  -0.327  -1.666
  102LYS     CA 1402   1.332  -0.252  -1.627
  102LYS     HA 1403   1.282  -0.178  -1.687
  102LYS     CB 1404   1.279  -0.391  -1.668
  102LYS    HB1 1405   1.335  -0.469  -1.611
  102LYS    HB2 1406   1.303  -0.405  -1.776
  102LYS     CG 1407   1.128  -0.414  -1.647
  102LYS    HG1 1408   1.070  -0.335  -1.698
  102LYS    HG2 1409   1.105  -0.410  -1.538
  102LYS     CD 1410   1.085  -0.552  -1.699
  102LYS    HD1 1411   1.158  -0.627  -1.661
  102LYS    HD2 1412   1.091  -0.551  -1.810
  102LYS     CE 1413   0.944  -0.593  -1.656
  102LYS    HE1 1414   0.865  -0.532  -1.705
  102LYS    HE2 1415   0.933  -0.583  -1.546
  102LYS     NZ 1416   0.922  -0.735  -1.690
  102LYS    HZ1 1417   0.998  -0.791  -1.646
  102LYS    HZ2 1418   0.914  -0.753  -1.791
  102LYS    HZ3 1419   0.835  -0.770  -1.639
  102LYS      C 1420   1.300  -0.221  -1.481
  102LYS      O 1421   1.368  -0.264  -1.390
  103ASN      N 1422   1.192  -0.143  -1.462
  103ASN     HN 1423   1.143  -0.106  -1.541
  103ASN     CA 1424   1.136  -0.112  -1.334
  103ASN     HA 1425   1.184  -0.168  -1.255
  103ASN     CB 1426   1.146   0.041  -1.308
  103ASN    HB1 1427   1.109   0.096  -1.396
  103ASN    HB2 1428   1.253   0.068  -1.292
  103ASN     CG 1429   1.069   0.083  -1.183
  103ASN    OD1 1430   1.118   0.057  -1.072
  103ASN    ND2 1431   0.952   0.147  -1.199
  103ASN   HD21 1432   0.895   0.164  -1.118
  103ASN   HD22 1433   0.916   0.168  -1.290
  103ASN      C 1434   0.992  -0.157  -1.340
  103ASN      O 1435   0.929  -0.147  -1.446
  104VAL      N 1436   0.938  -0.206  -1.227
  104VAL     HN 1437   0.990  -0.216  -1.143
  104VAL     CA 1438   0.798  -0.239  -1.214
  104VAL     HA 1439   0.744  -0.208  -1.302
  104VAL     CB 1440   0.775  -0.388  -1.194
  104VAL     HB 1441   0.825  -0.424  -1.101
  104VAL    CG1 1442   0.624  -0.418  -1.184
  104VAL   HG11 1443   0.569  -0.379  -1.273
  104VAL   HG12 1444   0.579  -0.374  -1.093
  104VAL   HG13 1445   0.607  -0.528  -1.180
  104VAL    CG2 1446   0.835  -0.462  -1.314
  104VAL   HG21 1447   0.945  -0.449  -1.321
  104VAL   HG22 1448   0.788  -0.428  -1.409
  104VAL   HG23 1449   0.816  -0.571  -1.302
  104VAL      C 1450   0.744  -0.159  -1.097
  104VAL      O 1451   0.794  -0.167  -0.985
  105GLY      N 1452   0.642  -0.075  -1.124
  105GLY     HN 1453   0.608  -0.072  -1.218
  105GLY     CA 1454   0.573   0.009  -1.026
  105GLY    HA1 1455   0.520  -0.058  -0.961
  105GLY    HA2 1456   0.508   0.075  -1.082
  105GLY      C 1457   0.659   0.098  -0.938
  105GLY      O 1458   0.773   0.130  -0.964
  106ALA      N 1459   0.596   0.144  -0.827
  106ALA     HN 1460   0.504   0.116  -0.805
  106ALA     CA 1461   0.663   0.225  -0.729
  106ALA     HA 1462   0.761   0.184  -0.710
  106ALA     CB 1463   0.675   0.373  -0.773
  106ALA    HB1 1464   0.575   0.417  -0.791
  106ALA    HB2 1465   0.733   0.380  -0.867
  106ALA    HB3 1466   0.727   0.434  -0.695
  106ALA      C 1467   0.584   0.218  -0.601
  106ALA      O 1468   0.465   0.185  -0.602
  107ARG      N 1469   0.648   0.250  -0.488
  107ARG     HN 1470   0.746   0.271  -0.488
  107ARG     CA 1471   0.581   0.270  -0.362
  107ARG     HA 1472   0.475   0.279  -0.377
  107ARG     CB 1473   0.610   0.156  -0.262
  107ARG    HB1 1474   0.719   0.145  -0.247
  107ARG    HB2 1475   0.574   0.062  -0.309
  107ARG     CG 1476   0.540   0.173  -0.125
  107ARG    HG1 1477   0.433   0.201  -0.144
  107ARG    HG2 1478   0.586   0.256  -0.068
  107ARG     CD 1479   0.538   0.045  -0.039
  107ARG    HD1 1480   0.483  -0.035  -0.094
  107ARG    HD2 1481   0.485   0.066   0.057
  107ARG     NE 1482   0.678   0.007  -0.007
  107ARG     HE 1483   0.732   0.072   0.049
  107ARG     CZ 1484   0.729  -0.117  -0.007
  107ARG    NH1 1485   0.658  -0.220  -0.060
  107ARG   HH11 1486   0.575  -0.202  -0.107
  107ARG   HH12 1487   0.706  -0.308  -0.064
  107ARG    NH2 1488   0.844  -0.143   0.036
  107ARG   HH21 1489   0.910  -0.067   0.057
  107ARG   HH22 1490   0.880  -0.236   0.025
  107ARG      C 1491   0.633   0.403  -0.311
  107ARG      O 1492   0.751   0.427  -0.302
  108LEU      N 1493   0.537   0.496  -0.286
  108LEU     HN 1494   0.440   0.474  -0.293
  108LEU     CA 1495   0.566   0.635  -0.262
  108LEU     HA 1496   0.673   0.650  -0.253
  108LEU     CB 1497   0.507   0.724  -0.374
  108LEU    HB1 1498   0.523   0.831  -0.351
  108LEU    HB2 1499   0.397   0.705  -0.377
  108LEU     CG 1500   0.562   0.695  -0.515
  108LEU     HG 1501   0.561   0.585  -0.533
  108LEU    CD1 1502   0.471   0.757  -0.622
  108LEU   HD11 1503   0.469   0.868  -0.611
  108LEU   HD12 1504   0.368   0.718  -0.611
  108LEU   HD13 1505   0.507   0.732  -0.723
  108LEU    CD2 1506   0.705   0.747  -0.531
  108LEU   HD21 1507   0.771   0.698  -0.457
  108LEU   HD22 1508   0.710   0.856  -0.516
  108LEU   HD23 1509   0.744   0.723  -0.633
  108LEU      C 1510   0.503   0.677  -0.131
  108LEU      O 1511   0.393   0.633  -0.097
  109TYR      N 1512   0.570   0.765  -0.056
  109TYR     HN 1513   0.661   0.796  -0.085
  109TYR     CA 1514   0.520   0.816   0.070
  109TYR     HA 1515   0.425   0.771   0.094
  109TYR     CB 1516   0.621   0.794   0.186
  109TYR    HB1 1517   0.577   0.822   0.284
  109TYR    HB2 1518   0.712   0.854   0.169
  109TYR     CG 1519   0.660   0.649   0.192
  109TYR    CD1 1520   0.562   0.552   0.214
  109TYR    HD1 1521   0.460   0.584   0.229
  109TYR    CE1 1522   0.594   0.416   0.208
  109TYR    HE1 1523   0.517   0.341   0.222
  109TYR     CZ 1524   0.726   0.376   0.183
  109TYR     OH 1525   0.759   0.240   0.166
  109TYR     HH 1526   0.857   0.230   0.167
  109TYR    CD2 1527   0.793   0.609   0.173
  109TYR    HD2 1528   0.871   0.682   0.159
  109TYR    CE2 1529   0.826   0.472   0.169
  109TYR    HE2 1530   0.928   0.442   0.152
  109TYR      C 1531   0.499   0.965   0.056
  109TYR      O 1532   0.579   1.034  -0.006
  110LEU      N 1533   0.389   1.018   0.113
  110LEU     HN 1534   0.324   0.959   0.161
  110LEU     CA 1535   0.372   1.163   0.120
  110LEU     HA 1536   0.403   1.204   0.025
  110LEU     CB 1537   0.224   1.205   0.143
  110LEU    HB1 1538   0.195   1.174   0.246
  110LEU    HB2 1539   0.161   1.148   0.072
  110LEU     CG 1540   0.195   1.356   0.125
  110LEU     HG 1541   0.268   1.415   0.185
  110LEU    CD1 1542   0.206   1.400  -0.021
  110LEU   HD11 1543   0.132   1.345  -0.083
  110LEU   HD12 1544   0.307   1.379  -0.062
  110LEU   HD13 1545   0.186   1.509  -0.031
  110LEU    CD2 1546   0.056   1.391   0.180
  110LEU   HD21 1547   0.049   1.364   0.287
  110LEU   HD22 1548  -0.023   1.337   0.124
  110LEU   HD23 1549   0.037   1.500   0.170
  110LEU      C 1550   0.461   1.224   0.227
  110LEU      O 1551   0.474   1.176   0.339
  111MET      N 1552   0.524   1.338   0.194
  111MET     HN 1553   0.516   1.375   0.101
  111MET     CA 1554   0.615   1.407   0.281
  111MET     HA 1555   0.632   1.348   0.370
  111MET     CB 1556   0.751   1.432   0.214
  111MET    HB1 1557   0.817   1.480   0.289
  111MET    HB2 1558   0.740   1.501   0.128
  111MET     CG 1559   0.823   1.306   0.165
  111MET    HG1 1560   0.773   1.270   0.072
  111MET    HG2 1561   0.814   1.224   0.240
  111MET     SD 1562   0.999   1.339   0.131
  111MET     CE 1563   1.060   1.299   0.297
  111MET    HE1 1564   1.035   1.194   0.324
  111MET    HE2 1565   1.015   1.366   0.373
  111MET    HE3 1566   1.170   1.309   0.301
  111MET      C 1567   0.561   1.540   0.327
  111MET      O 1568   0.479   1.605   0.259
  112ALA      N 1569   0.604   1.585   0.445
  112ALA     HN 1570   0.669   1.529   0.498
  112ALA     CA 1571   0.569   1.715   0.498
  112ALA     HA 1572   0.481   1.753   0.448
  112ALA     CB 1573   0.542   1.703   0.649
  112ALA    HB1 1574   0.628   1.659   0.703
  112ALA    HB2 1575   0.454   1.638   0.667
  112ALA    HB3 1576   0.519   1.802   0.693
  112ALA      C 1577   0.683   1.814   0.481
  112ALA      O 1578   0.664   1.935   0.493
  113SER      N 1579   0.803   1.763   0.450
  113SER     HN 1580   0.817   1.664   0.440
  113SER     CA 1581   0.921   1.842   0.422
  113SER     HA 1582   0.895   1.918   0.351
  113SER     CB 1583   0.989   1.902   0.549
  113SER    HB1 1584   0.914   1.958   0.607
  113SER    HB2 1585   1.066   1.976   0.515
  113SER     OG 1586   1.054   1.805   0.632
  113SER    HG1 1587   0.986   1.757   0.683
  113SER      C 1588   1.015   1.745   0.355
  113SER      O 1589   0.987   1.626   0.352
  114ASP      N 1590   1.130   1.791   0.304
  114ASP     HN 1591   1.151   1.888   0.304
  114ASP     CA 1592   1.225   1.704   0.237
  114ASP     HA 1593   1.172   1.648   0.160
  114ASP     CB 1594   1.340   1.787   0.175
  114ASP    HB1 1595   1.422   1.721   0.141
  114ASP    HB2 1596   1.379   1.858   0.250
  114ASP     CG 1597   1.299   1.865   0.052
  114ASP    OD1 1598   1.197   1.834  -0.013
  114ASP    OD2 1599   1.386   1.949   0.014
  114ASP      C 1600   1.291   1.600   0.328
  114ASP      O 1601   1.356   1.508   0.281
  115THR      N 1602   1.281   1.617   0.462
  115THR     HN 1603   1.235   1.698   0.498
  115THR     CA 1604   1.340   1.523   0.556
  115THR     HA 1605   1.386   1.441   0.502
  115THR     CB 1606   1.450   1.585   0.644
  115THR     HB 1607   1.487   1.514   0.721
  115THR    OG1 1608   1.412   1.706   0.708
  115THR    HG1 1609   1.324   1.693   0.745
  115THR    CG2 1610   1.569   1.619   0.552
  115THR   HG21 1611   1.538   1.693   0.476
  115THR   HG22 1612   1.605   1.527   0.501
  115THR   HG23 1613   1.651   1.663   0.612
  115THR      C 1614   1.240   1.454   0.647
  115THR      O 1615   1.281   1.381   0.735
  116THR      N 1616   1.107   1.475   0.628
  116THR     HN 1617   1.074   1.531   0.553
  116THR     CA 1618   1.007   1.416   0.717
  116THR     HA 1619   1.046   1.324   0.758
  116THR     CB 1620   0.960   1.506   0.834
  116THR     HB 1621   0.885   1.450   0.896
  116THR    OG1 1622   0.901   1.628   0.789
  116THR    HG1 1623   0.818   1.600   0.748
  116THR    CG2 1624   1.077   1.542   0.926
  116THR   HG21 1625   1.151   1.606   0.872
  116THR   HG22 1626   1.128   1.450   0.961
  116THR   HG23 1627   1.040   1.598   1.014
  116THR      C 1628   0.881   1.378   0.643
  116THR      O 1629   0.832   1.452   0.556
  117TYR      N 1630   0.819   1.265   0.680
  117TYR     HN 1631   0.859   1.206   0.751
  117TYR     CA 1632   0.689   1.224   0.632
  117TYR     HA 1633   0.691   1.233   0.525
  117TYR     CB 1634   0.654   1.077   0.667
  117TYR    HB1 1635   0.555   1.048   0.626
  117TYR    HB2 1636   0.652   1.064   0.777
  117TYR     CG 1637   0.754   0.983   0.606
  117TYR    CD1 1638   0.778   0.980   0.468
  117TYR    HD1 1639   0.726   1.049   0.402
  117TYR    CE1 1640   0.868   0.887   0.414
  117TYR    HE1 1641   0.887   0.885   0.308
  117TYR     CZ 1642   0.932   0.795   0.497
  117TYR     OH 1643   1.020   0.700   0.442
  117TYR     HH 1644   1.042   0.635   0.511
  117TYR    CD2 1645   0.819   0.890   0.688
  117TYR    HD2 1646   0.798   0.888   0.794
  117TYR    CE2 1647   0.908   0.797   0.634
  117TYR    HE2 1648   0.956   0.724   0.699
  117TYR      C 1649   0.575   1.312   0.679
  117TYR      O 1650   0.585   1.387   0.777
  118GLN      N 1651   0.462   1.309   0.606
  118GLN     HN 1652   0.456   1.250   0.525
  118GLN     CA 1653   0.340   1.372   0.649
  118GLN     HA 1654   0.362   1.453   0.717
  118GLN     CB 1655   0.261   1.427   0.527
  118GLN    HB1 1656   0.237   1.342   0.459
  118GLN    HB2 1657   0.329   1.495   0.472
  118GLN     CG 1658   0.131   1.505   0.561
  118GLN    HG1 1659   0.058   1.438   0.610
  118GLN    HG2 1660   0.086   1.542   0.467
  118GLN     CD 1661   0.160   1.625   0.650
  118GLN    OE1 1662   0.211   1.728   0.603
  118GLN    NE2 1663   0.129   1.615   0.780
  118GLN   HE21 1664   0.083   1.533   0.814
  118GLN   HE22 1665   0.163   1.690   0.838
  118GLN      C 1666   0.254   1.271   0.724
  118GLN      O 1667   0.209   1.172   0.669
  119GLU      N 1668   0.229   1.300   0.853
  119GLU     HN 1669   0.269   1.380   0.896
  119GLU     CA 1670   0.147   1.217   0.939
  119GLU     HA 1671   0.153   1.113   0.907
  119GLU     CB 1672   0.191   1.229   1.087
  119GLU    HB1 1673   0.126   1.164   1.151
  119GLU    HB2 1674   0.178   1.334   1.120
  119GLU     CG 1675   0.338   1.188   1.112
  119GLU    HG1 1676   0.368   1.213   1.216
  119GLU    HG2 1677   0.407   1.237   1.041
  119GLU     CD 1678   0.359   1.037   1.099
  119GLU    OE1 1679   0.257   0.964   1.093
  119GLU    OE2 1680   0.477   0.998   1.100
  119GLU      C 1681   0.004   1.262   0.932
  119GLU      O 1682  -0.025   1.382   0.920
  120PHE      N 1683  -0.090   1.167   0.942
  120PHE     HN 1684  -0.062   1.070   0.941
  120PHE     CA 1685  -0.232   1.192   0.943
  120PHE     HA 1686  -0.251   1.298   0.957
  120PHE     CB 1687  -0.302   1.142   0.814
  120PHE    HB1 1688  -0.412   1.148   0.823
  120PHE    HB2 1689  -0.274   1.036   0.796
  120PHE     CG 1690  -0.260   1.222   0.694
  120PHE    CD1 1691  -0.140   1.193   0.625
  120PHE    HD1 1692  -0.074   1.116   0.663
  120PHE    CE1 1693  -0.109   1.259   0.506
  120PHE    HE1 1694  -0.018   1.233   0.454
  120PHE     CZ 1695  -0.196   1.357   0.455
  120PHE     HZ 1696  -0.172   1.408   0.363
  120PHE    CD2 1697  -0.346   1.320   0.641
  120PHE    HD2 1698  -0.439   1.340   0.692
  120PHE    CE2 1699  -0.314   1.388   0.523
  120PHE    HE2 1700  -0.382   1.462   0.483
  120PHE      C 1701  -0.294   1.120   1.060
  120PHE      O 1702  -0.275   1.002   1.080
  121THR      N 1703  -0.374   1.192   1.141
  121THR     HN 1704  -0.384   1.290   1.130
  121THR     CA 1705  -0.452   1.130   1.247
  121THR     HA 1706  -0.413   1.032   1.272
  121THR     CB 1707  -0.455   1.214   1.374
  121THR     HB 1708  -0.495   1.315   1.352
  121THR    OG1 1709  -0.322   1.227   1.423
  121THR    HG1 1710  -0.296   1.135   1.442
  121THR    CG2 1711  -0.539   1.148   1.484
  121THR   HG21 1712  -0.500   1.046   1.508
  121THR   HG22 1713  -0.646   1.139   1.455
  121THR   HG23 1714  -0.534   1.209   1.577
  121THR      C 1715  -0.591   1.110   1.194
  121THR      O 1716  -0.667   1.207   1.175
  122LEU      N 1717  -0.627   0.986   1.160
  122LEU     HN 1718  -0.565   0.909   1.177
  122LEU     CA 1719  -0.749   0.957   1.087
  122LEU     HA 1720  -0.762   1.032   1.010
  122LEU     CB 1721  -0.738   0.818   1.018
  122LEU    HB1 1722  -0.835   0.793   0.968
  122LEU    HB2 1723  -0.719   0.741   1.095
  122LEU     CG 1724  -0.628   0.807   0.910
  122LEU     HG 1725  -0.530   0.836   0.955
  122LEU    CD1 1726  -0.615   0.661   0.863
  122LEU   HD11 1727  -0.709   0.627   0.817
  122LEU   HD12 1728  -0.590   0.594   0.948
  122LEU   HD13 1729  -0.533   0.652   0.788
  122LEU    CD2 1730  -0.655   0.899   0.790
  122LEU   HD21 1731  -0.655   1.005   0.820
  122LEU   HD22 1732  -0.753   0.874   0.744
  122LEU   HD23 1733  -0.576   0.884   0.713
  122LEU      C 1734  -0.874   0.961   1.172
  122LEU      O 1735  -0.983   0.991   1.122
  123LEU      N 1736  -0.864   0.936   1.303
  123LEU     HN 1737  -0.775   0.919   1.345
  123LEU     CA 1738  -0.981   0.925   1.389
  123LEU     HA 1739  -1.048   0.855   1.339
  123LEU     CB 1740  -0.946   0.867   1.528
  123LEU    HB1 1741  -0.880   0.940   1.580
  123LEU    HB2 1742  -0.887   0.775   1.513
  123LEU     CG 1743  -1.067   0.834   1.618
  123LEU     HG 1744  -1.134   0.923   1.623
  123LEU    CD1 1745  -1.147   0.715   1.562
  123LEU   HD11 1746  -1.082   0.626   1.551
  123LEU   HD12 1747  -1.189   0.739   1.462
  123LEU   HD13 1748  -1.231   0.689   1.629
  123LEU    CD2 1749  -1.023   0.803   1.762
  123LEU   HD21 1750  -0.963   0.888   1.802
  123LEU   HD22 1751  -0.959   0.712   1.764
  123LEU   HD23 1752  -1.111   0.787   1.827
  123LEU      C 1753  -1.059   1.055   1.405
  123LEU      O 1754  -1.006   1.157   1.452
  124GLY      N 1755  -1.188   1.056   1.367
  124GLY     HN 1756  -1.230   0.974   1.325
  124GLY     CA 1757  -1.274   1.174   1.373
  124GLY    HA1 1758  -1.245   1.236   1.457
  124GLY    HA2 1759  -1.376   1.140   1.378
  124GLY      C 1760  -1.263   1.258   1.249
  124GLY      O 1761  -1.309   1.373   1.245
  125ASN      N 1762  -1.203   1.204   1.143
  125ASN     HN 1763  -1.173   1.108   1.147
  125ASN     CA 1764  -1.172   1.274   1.021
  125ASN     HA 1765  -1.235   1.361   1.012
  125ASN     CB 1766  -1.022   1.315   1.013
  125ASN    HB1 1767  -1.001   1.366   0.916
  125ASN    HB2 1768  -0.957   1.226   1.019
  125ASN     CG 1769  -0.986   1.415   1.122
  125ASN    OD1 1770  -1.017   1.533   1.113
  125ASN    ND2 1771  -0.909   1.370   1.224
  125ASN   HD21 1772  -0.873   1.276   1.222
  125ASN   HD22 1773  -0.893   1.428   1.301
  125ASN      C 1774  -1.208   1.183   0.904
  125ASN      O 1775  -1.238   1.066   0.919
  126GLU      N 1776  -1.208   1.242   0.783
  126GLU     HN 1777  -1.185   1.338   0.772
  126GLU     CA 1778  -1.236   1.169   0.662
  126GLU     HA 1779  -1.228   1.063   0.680
  126GLU     CB 1780  -1.378   1.204   0.607
  126GLU    HB1 1781  -1.450   1.191   0.691
  126GLU    HB2 1782  -1.405   1.129   0.529
  126GLU     CG 1783  -1.391   1.346   0.546
  126GLU    HG1 1784  -1.332   1.352   0.453
  126GLU    HG2 1785  -1.352   1.420   0.618
  126GLU     CD 1786  -1.534   1.388   0.513
  126GLU    OE1 1787  -1.632   1.318   0.544
  126GLU    OE2 1788  -1.546   1.502   0.455
  126GLU      C 1789  -1.130   1.204   0.561
  126GLU      O 1790  -1.061   1.308   0.571
  127PHE      N 1791  -1.112   1.117   0.462
  127PHE     HN 1792  -1.173   1.036   0.457
  127PHE     CA 1793  -1.013   1.128   0.359
  127PHE     HA 1794  -0.971   1.228   0.358
  127PHE     CB 1795  -0.901   1.023   0.382
  127PHE    HB1 1796  -0.941   0.920   0.373
  127PHE    HB2 1797  -0.861   1.035   0.484
  127PHE     CG 1798  -0.787   1.040   0.284
  127PHE    CD1 1799  -0.680   1.125   0.315
  127PHE    HD1 1800  -0.680   1.179   0.408
  127PHE    CE1 1801  -0.571   1.137   0.228
  127PHE    HE1 1802  -0.487   1.201   0.254
  127PHE     CZ 1803  -0.569   1.064   0.109
  127PHE     HZ 1804  -0.484   1.072   0.041
  127PHE    CD2 1805  -0.784   0.967   0.164
  127PHE    HD2 1806  -0.865   0.900   0.140
  127PHE    CE2 1807  -0.676   0.981   0.076
  127PHE    HE2 1808  -0.674   0.924  -0.016
  127PHE      C 1809  -1.085   1.107   0.226
  127PHE      O 1810  -1.158   1.012   0.208
  128SER      N 1811  -1.065   1.203   0.133
  128SER     HN 1812  -1.002   1.278   0.151
  128SER     CA 1813  -1.126   1.202   0.002
  128SER     HA 1814  -1.181   1.111  -0.015
  128SER     CB 1815  -1.222   1.324  -0.017
  128SER    HB1 1816  -1.167   1.417   0.011
  128SER    HB2 1817  -1.306   1.312   0.055
  128SER     OG 1818  -1.276   1.339  -0.149
  128SER    HG1 1819  -1.201   1.344  -0.211
  128SER      C 1820  -1.016   1.210  -0.101
  128SER      O 1821  -0.917   1.281  -0.082
  129PHE      N 1822  -1.031   1.138  -0.213
  129PHE     HN 1823  -1.108   1.075  -0.226
  129PHE     CA 1824  -0.937   1.147  -0.323
  129PHE     HA 1825  -0.909   1.250  -0.336
  129PHE     CB 1826  -0.808   1.061  -0.302
  129PHE    HB1 1827  -0.759   1.091  -0.207
  129PHE    HB2 1828  -0.737   1.081  -0.385
  129PHE     CG 1829  -0.835   0.912  -0.295
  129PHE    CD1 1830  -0.896   0.856  -0.182
  129PHE    HD1 1831  -0.923   0.919  -0.099
  129PHE    CE1 1832  -0.926   0.719  -0.178
  129PHE    HE1 1833  -0.978   0.678  -0.093
  129PHE     CZ 1834  -0.893   0.637  -0.286
  129PHE     HZ 1835  -0.920   0.533  -0.285
  129PHE    CD2 1836  -0.798   0.828  -0.402
  129PHE    HD2 1837  -0.749   0.869  -0.489
  129PHE    CE2 1838  -0.827   0.691  -0.397
  129PHE    HE2 1839  -0.800   0.626  -0.479
  129PHE      C 1840  -1.013   1.106  -0.448
  129PHE      O 1841  -1.112   1.034  -0.443
  130ASP      N 1842  -0.967   1.156  -0.565
  130ASP     HN 1843  -0.887   1.215  -0.567
  130ASP     CA 1844  -1.013   1.111  -0.694
  130ASP     HA 1845  -1.109   1.062  -0.684
  130ASP     CB 1846  -1.020   1.224  -0.802
  130ASP    HB1 1847  -1.050   1.178  -0.897
  130ASP    HB2 1848  -0.919   1.269  -0.812
  130ASP     CG 1849  -1.119   1.337  -0.778
  130ASP    OD1 1850  -1.200   1.337  -0.685
  130ASP    OD2 1851  -1.115   1.430  -0.867
  130ASP      C 1852  -0.913   1.006  -0.744
  130ASP      O 1853  -0.792   1.014  -0.717
  131VAL      N 1854  -0.959   0.907  -0.821
  131VAL     HN 1855  -1.057   0.897  -0.839
  131VAL     CA 1856  -0.872   0.802  -0.872
  131VAL     HA 1857  -0.773   0.844  -0.888
  131VAL     CB 1858  -0.857   0.686  -0.773
  131VAL     HB 1859  -0.826   0.731  -0.676
  131VAL    CG1 1860  -0.992   0.614  -0.750
  131VAL   HG11 1861  -1.026   0.561  -0.841
  131VAL   HG12 1862  -1.071   0.685  -0.717
  131VAL   HG13 1863  -0.980   0.538  -0.669
  131VAL    CG2 1864  -0.746   0.589  -0.816
  131VAL   HG21 1865  -0.650   0.643  -0.830
  131VAL   HG22 1866  -0.771   0.537  -0.911
  131VAL   HG23 1867  -0.731   0.512  -0.738
  131VAL      C 1868  -0.922   0.758  -1.008
  131VAL      O 1869  -1.041   0.757  -1.036
  132ASP      N 1870  -0.828   0.726  -1.099
  132ASP     HN 1871  -0.731   0.732  -1.073
  132ASP     CA 1872  -0.854   0.670  -1.230
  132ASP     HA 1873  -0.960   0.655  -1.244
  132ASP     CB 1874  -0.798   0.762  -1.342
  132ASP    HB1 1875  -0.689   0.775  -1.325
  132ASP    HB2 1876  -0.845   0.862  -1.335
  132ASP     CG 1877  -0.816   0.710  -1.485
  132ASP    OD1 1878  -0.901   0.623  -1.511
  132ASP    OD2 1879  -0.744   0.765  -1.574
  132ASP      C 1880  -0.786   0.534  -1.230
  132ASP      O 1881  -0.664   0.523  -1.213
  133VAL      N 1882  -0.866   0.427  -1.246
  133VAL     HN 1883  -0.964   0.439  -1.258
  133VAL     CA 1884  -0.819   0.289  -1.240
  133VAL     HA 1885  -0.713   0.286  -1.220
  133VAL     CB 1886  -0.892   0.210  -1.131
  133VAL     HB 1887  -0.859   0.103  -1.134
  133VAL    CG1 1888  -0.854   0.266  -0.992
  133VAL   HG11 1889  -0.893   0.368  -0.979
  133VAL   HG12 1890  -0.744   0.267  -0.980
  133VAL   HG13 1891  -0.897   0.201  -0.913
  133VAL    CG2 1892  -1.045   0.214  -1.153
  133VAL   HG21 1893  -1.072   0.175  -1.252
  133VAL   HG22 1894  -1.085   0.317  -1.141
  133VAL   HG23 1895  -1.094   0.151  -1.077
  133VAL      C 1896  -0.841   0.223  -1.375
  133VAL      O 1897  -0.827   0.101  -1.390
  134SER      N 1898  -0.873   0.301  -1.479
  134SER     HN 1899  -0.879   0.401  -1.466
  134SER     CA 1900  -0.916   0.251  -1.609
  134SER     HA 1901  -0.998   0.182  -1.590
  134SER     CB 1902  -0.968   0.363  -1.703
  134SER    HB1 1903  -1.054   0.412  -1.652
  134SER    HB2 1904  -1.006   0.317  -1.797
  134SER     OG 1905  -0.871   0.463  -1.734
  134SER    HG1 1906  -0.866   0.522  -1.655
  134SER      C 1907  -0.811   0.170  -1.683
  134SER      O 1908  -0.844   0.081  -1.763
  135GLN      N 1909  -0.683   0.200  -1.659
  135GLN     HN 1910  -0.662   0.271  -1.592
  135GLN     CA 1911  -0.570   0.137  -1.724
  135GLN     HA 1912  -0.603   0.093  -1.818
  135GLN     CB 1913  -0.459   0.242  -1.752
  135GLN    HB1 1914  -0.376   0.192  -1.807
  135GLN    HB2 1915  -0.419   0.279  -1.656
  135GLN     CG 1916  -0.504   0.364  -1.835
  135GLN    HG1 1917  -0.416   0.426  -1.861
  135GLN    HG2 1918  -0.572   0.427  -1.774
  135GLN     CD 1919  -0.573   0.324  -1.967
  135GLN    OE1 1920  -0.513   0.266  -2.057
  135GLN    NE2 1921  -0.703   0.360  -1.979
  135GLN   HE21 1922  -0.750   0.399  -1.901
  135GLN   HE22 1923  -0.748   0.329  -2.063
  135GLN      C 1924  -0.513   0.023  -1.641
  135GLN      O 1925  -0.406  -0.027  -1.671
  136LEU      N 1926  -0.585  -0.022  -1.536
  136LEU     HN 1927  -0.672   0.021  -1.510
  136LEU     CA 1928  -0.544  -0.134  -1.454
  136LEU     HA 1929  -0.440  -0.157  -1.471
  136LEU     CB 1930  -0.558  -0.102  -1.302
  136LEU    HB1 1931  -0.525  -0.191  -1.243
  136LEU    HB2 1932  -0.666  -0.083  -1.279
  136LEU     CG 1933  -0.479   0.020  -1.252
  136LEU     HG 1934  -0.510   0.110  -1.309
  136LEU    CD1 1935  -0.511   0.044  -1.104
  136LEU   HD11 1936  -0.481  -0.045  -1.043
  136LEU   HD12 1937  -0.620   0.060  -1.089
  136LEU   HD13 1938  -0.457   0.132  -1.065
  136LEU    CD2 1939  -0.327   0.001  -1.271
  136LEU   HD21 1940  -0.302  -0.006  -1.379
  136LEU   HD22 1941  -0.293  -0.091  -1.220
  136LEU   HD23 1942  -0.273   0.088  -1.229
  136LEU      C 1943  -0.631  -0.255  -1.485
  136LEU      O 1944  -0.750  -0.257  -1.450
  137PRO      N 1945  -0.582  -0.360  -1.550
  137PRO     CD 1946  -0.456  -0.361  -1.625
  137PRO    HD1 1947  -0.369  -0.345  -1.558
  137PRO    HD2 1948  -0.459  -0.283  -1.704
  137PRO     CA 1949  -0.660  -0.482  -1.571
  137PRO     HA 1950  -0.766  -0.461  -1.579
  137PRO     CB 1951  -0.597  -0.537  -1.700
  137PRO    HB1 1952  -0.640  -0.484  -1.787
  137PRO    HB2 1953  -0.612  -0.646  -1.716
  137PRO     CG 1954  -0.449  -0.500  -1.689
  137PRO    HG1 1955  -0.397  -0.570  -1.620
  137PRO    HG2 1956  -0.397  -0.500  -1.787
  137PRO      C 1957  -0.638  -0.576  -1.453
  137PRO      O 1958  -0.587  -0.535  -1.350
  138CYS      N 1959  -0.676  -0.705  -1.470
  138CYS     HN 1960  -0.717  -0.734  -1.554
  138CYS     CA 1961  -0.653  -0.811  -1.373
  138CYS     HA 1962  -0.704  -0.785  -1.281
  138CYS     CB 1963  -0.705  -0.947  -1.427
  138CYS    HB1 1964  -0.687  -1.026  -1.350
  138CYS    HB2 1965  -0.646  -0.974  -1.518
  138CYS     SG 1966  -0.881  -0.947  -1.471
  138CYS      C 1967  -0.506  -0.832  -1.341
  138CYS      O 1968  -0.421  -0.831  -1.431
  139GLY      N 1969  -0.474  -0.854  -1.212
  139GLY     HN 1970  -0.549  -0.860  -1.144
  139GLY     CA 1971  -0.339  -0.885  -1.167
  139GLY    HA1 1972  -0.281  -0.924  -1.249
  139GLY    HA2 1973  -0.347  -0.956  -1.086
  139GLY      C 1974  -0.260  -0.767  -1.117
  139GLY      O 1975  -0.150  -0.782  -1.067
  140LEU      N 1976  -0.317  -0.646  -1.130
  140LEU     HN 1977  -0.408  -0.640  -1.170
  140LEU     CA 1978  -0.255  -0.523  -1.088
  140LEU     HA 1979  -0.155  -0.542  -1.051
  140LEU     CB 1980  -0.248  -0.416  -1.201
  140LEU    HB1 1981  -0.231  -0.315  -1.155
  140LEU    HB2 1982  -0.344  -0.412  -1.255
  140LEU     CG 1983  -0.131  -0.433  -1.301
  140LEU     HG 1984  -0.037  -0.448  -1.241
  140LEU    CD1 1985  -0.146  -0.555  -1.393
  140LEU   HD11 1986  -0.243  -0.551  -1.448
  140LEU   HD12 1987  -0.142  -0.649  -1.335
  140LEU   HD13 1988  -0.063  -0.557  -1.467
  140LEU    CD2 1989  -0.113  -0.305  -1.383
  140LEU   HD21 1990  -0.085  -0.220  -1.317
  140LEU   HD22 1991  -0.207  -0.279  -1.436
  140LEU   HD23 1992  -0.033  -0.319  -1.458
  140LEU      C 1993  -0.333  -0.466  -0.973
  140LEU      O 1994  -0.452  -0.495  -0.955
  141ASN      N 1995  -0.268  -0.383  -0.891
  141ASN     HN 1996  -0.169  -0.366  -0.903
  141ASN     CA 1997  -0.331  -0.316  -0.780
  141ASN     HA 1998  -0.437  -0.302  -0.801
  141ASN     CB 1999  -0.315  -0.403  -0.653
  141ASN    HB1 2000  -0.207  -0.424  -0.635
  141ASN    HB2 2001  -0.367  -0.499  -0.673
  141ASN     CG 2002  -0.376  -0.344  -0.526
  141ASN    OD1 2003  -0.436  -0.236  -0.525
  141ASN    ND2 2004  -0.361  -0.418  -0.414
  141ASN   HD21 2005  -0.395  -0.381  -0.328
  141ASN   HD22 2006  -0.310  -0.504  -0.419
  141ASN      C 2007  -0.268  -0.178  -0.771
  141ASN      O 2008  -0.149  -0.163  -0.752
  142GLY      N 2009  -0.352  -0.074  -0.789
  142GLY     HN 2010  -0.449  -0.091  -0.806
  142GLY     CA 2011  -0.316   0.063  -0.755
  142GLY    HA1 2012  -0.363   0.128  -0.826
  142GLY    HA2 2013  -0.208   0.075  -0.749
  142GLY      C 2014  -0.375   0.091  -0.621
  142GLY      O 2015  -0.496   0.102  -0.607
  143ALA      N 2016  -0.289   0.106  -0.519
  143ALA     HN 2017  -0.191   0.105  -0.533
  143ALA     CA 2018  -0.333   0.113  -0.381
  143ALA     HA 2019  -0.440   0.098  -0.376
  143ALA     CB 2020  -0.266   0.004  -0.296
  143ALA    HB1 2021  -0.156   0.015  -0.295
  143ALA    HB2 2022  -0.290  -0.097  -0.338
  143ALA    HB3 2023  -0.303   0.006  -0.191
  143ALA      C 2024  -0.303   0.249  -0.323
  143ALA      O 2025  -0.207   0.319  -0.360
  144LEU      N 2026  -0.389   0.292  -0.229
  144LEU     HN 2027  -0.462   0.230  -0.199
  144LEU     CA 2028  -0.369   0.411  -0.151
  144LEU     HA 2029  -0.264   0.439  -0.153
  144LEU     CB 2030  -0.457   0.530  -0.200
  144LEU    HB1 2031  -0.564   0.501  -0.199
  144LEU    HB2 2032  -0.428   0.547  -0.306
  144LEU     CG 2033  -0.438   0.663  -0.123
  144LEU     HG 2034  -0.331   0.669  -0.093
  144LEU    CD1 2035  -0.469   0.782  -0.215
  144LEU   HD11 2036  -0.575   0.779  -0.246
  144LEU   HD12 2037  -0.406   0.779  -0.306
  144LEU   HD13 2038  -0.449   0.878  -0.162
  144LEU    CD2 2039  -0.526   0.673   0.003
  144LEU   HD21 2040  -0.504   0.592   0.076
  144LEU   HD22 2041  -0.634   0.666  -0.024
  144LEU   HD23 2042  -0.508   0.769   0.055
  144LEU      C 2043  -0.403   0.371  -0.010
  144LEU      O 2044  -0.511   0.318   0.016
  145TYR      N 2045  -0.312   0.394   0.085
  145TYR     HN 2046  -0.225   0.441   0.066
  145TYR     CA 2047  -0.326   0.335   0.215
  145TYR     HA 2048  -0.428   0.346   0.248
  145TYR     CB 2049  -0.293   0.182   0.214
  145TYR    HB1 2050  -0.360   0.131   0.142
  145TYR    HB2 2051  -0.312   0.135   0.313
  145TYR     CG 2052  -0.152   0.149   0.174
  145TYR    CD1 2053  -0.112   0.154   0.040
  145TYR    HD1 2054  -0.182   0.185  -0.036
  145TYR    CE1 2055   0.017   0.114   0.002
  145TYR    HE1 2056   0.047   0.119  -0.101
  145TYR     CZ 2057   0.105   0.063   0.099
  145TYR     OH 2058   0.232   0.016   0.063
  145TYR     HH 2059   0.264  -0.035   0.140
  145TYR    CD2 2060  -0.063   0.098   0.270
  145TYR    HD2 2061  -0.096   0.084   0.372
  145TYR    CE2 2062   0.065   0.055   0.233
  145TYR    HE2 2063   0.130   0.012   0.308
  145TYR      C 2064  -0.243   0.413   0.314
  145TYR      O 2065  -0.169   0.504   0.279
  146PHE      N 2066  -0.261   0.383   0.444
  146PHE     HN 2067  -0.322   0.307   0.468
  146PHE     CA 2068  -0.187   0.444   0.551
  146PHE     HA 2069  -0.107   0.505   0.511
  146PHE     CB 2070  -0.276   0.528   0.646
  146PHE    HB1 2071  -0.218   0.562   0.734
  146PHE    HB2 2072  -0.361   0.467   0.683
  146PHE     CG 2073  -0.330   0.650   0.579
  146PHE    CD1 2074  -0.261   0.772   0.591
  146PHE    HD1 2075  -0.167   0.775   0.644
  146PHE    CE1 2076  -0.313   0.889   0.535
  146PHE    HE1 2077  -0.258   0.980   0.542
  146PHE     CZ 2078  -0.435   0.886   0.468
  146PHE     HZ 2079  -0.475   0.976   0.424
  146PHE    CD2 2080  -0.454   0.648   0.512
  146PHE    HD2 2081  -0.507   0.555   0.505
  146PHE    CE2 2082  -0.506   0.765   0.456
  146PHE    HE2 2083  -0.601   0.763   0.405
  146PHE      C 2084  -0.123   0.336   0.635
  146PHE      O 2085  -0.179   0.229   0.653
  147VAL      N 2086  -0.005   0.365   0.693
  147VAL     HN 2087   0.040   0.452   0.676
  147VAL     CA 2088   0.066   0.272   0.779
  147VAL     HA 2089  -0.003   0.201   0.822
  147VAL     CB 2090   0.176   0.193   0.707
  147VAL     HB 2091   0.238   0.137   0.781
  147VAL    CG1 2092   0.114   0.087   0.615
  147VAL   HG11 2093   0.056   0.134   0.533
  147VAL   HG12 2094   0.046   0.020   0.671
  147VAL   HG13 2095   0.193   0.024   0.568
  147VAL    CG2 2096   0.267   0.287   0.627
  147VAL   HG21 2097   0.314   0.364   0.692
  147VAL   HG22 2098   0.209   0.339   0.548
  147VAL   HG23 2099   0.348   0.229   0.578
  147VAL      C 2100   0.127   0.350   0.893
  147VAL      O 2101   0.162   0.467   0.880
  148SER      N 2102   0.138   0.289   1.013
  148SER     HN 2103   0.105   0.194   1.022
  148SER     CA 2104   0.196   0.354   1.129
  148SER     HA 2105   0.168   0.458   1.128
  148SER     CB 2106   0.146   0.296   1.264
  148SER    HB1 2107   0.202   0.340   1.349
  148SER    HB2 2108   0.163   0.185   1.264
  148SER     OG 2109   0.007   0.322   1.285
  148SER    HG1 2110  -0.004   0.417   1.279
  148SER      C 2111   0.349   0.352   1.130
  148SER      O 2112   0.412   0.289   1.214
  149MET      N 2113   0.410   0.427   1.036
  149MET     HN 2114   0.354   0.478   0.971
  149MET     CA 2115   0.553   0.449   1.028
  149MET     HA 2116   0.603   0.359   1.059
  149MET     CB 2117   0.598   0.483   0.883
  149MET    HB1 2118   0.705   0.515   0.883
  149MET    HB2 2119   0.537   0.568   0.846
  149MET     CG 2120   0.588   0.365   0.785
  149MET    HG1 2121   0.492   0.311   0.804
  149MET    HG2 2122   0.669   0.292   0.807
  149MET     SD 2123   0.593   0.413   0.609
  149MET     CE 2124   0.757   0.488   0.603
  149MET    HE1 2125   0.836   0.416   0.634
  149MET    HE2 2126   0.763   0.576   0.671
  149MET    HE3 2127   0.781   0.524   0.501
  149MET      C 2128   0.598   0.559   1.122
  149MET      O 2129   0.518   0.635   1.177
  150ASP      N 2130   0.730   0.570   1.145
  150ASP     HN 2131   0.795   0.505   1.105
  150ASP     CA 2132   0.787   0.682   1.216
  150ASP     HA 2133   0.716   0.717   1.290
  150ASP     CB 2134   0.919   0.641   1.287
  150ASP    HB1 2135   0.960   0.728   1.342
  150ASP    HB2 2136   0.994   0.611   1.211
  150ASP     CG 2137   0.907   0.526   1.388
  150ASP    OD1 2138   0.806   0.517   1.464
  150ASP    OD2 2139   1.005   0.452   1.405
  150ASP      C 2140   0.814   0.796   1.117
  150ASP      O 2141   0.862   0.774   1.005
  151ALA      N 2142   0.788   0.923   1.156
  151ALA     HN 2143   0.743   0.936   1.243
  151ALA     CA 2144   0.794   1.041   1.070
  151ALA     HA 2145   0.721   1.026   0.991
  151ALA     CB 2146   0.755   1.168   1.150
  151ALA    HB1 2147   0.831   1.190   1.228
  151ALA    HB2 2148   0.657   1.152   1.198
  151ALA    HB3 2149   0.747   1.255   1.081
  151ALA      C 2150   0.929   1.068   1.006
  151ALA      O 2151   0.939   1.123   0.896
  152ASP      N 2152   1.038   1.033   1.076
  152ASP     HN 2153   1.030   0.984   1.163
  152ASP     CA 2154   1.173   1.060   1.034
  152ASP     HA 2155   1.173   1.142   0.964
  152ASP     CB 2156   1.259   1.099   1.159
  152ASP    HB1 2157   1.211   1.186   1.208
  152ASP    HB2 2158   1.361   1.128   1.125
  152ASP     CG 2159   1.277   0.990   1.264
  152ASP    OD1 2160   1.211   0.884   1.253
  152ASP    OD2 2161   1.358   1.010   1.359
  152ASP      C 2162   1.232   0.940   0.959
  152ASP      O 2163   1.344   0.946   0.909
  153GLY      N 2164   1.156   0.830   0.946
  153GLY     HN 2165   1.062   0.829   0.984
  153GLY     CA 2166   1.200   0.707   0.881
  153GLY    HA1 2167   1.263   0.732   0.797
  153GLY    HA2 2168   1.111   0.652   0.852
  153GLY      C 2169   1.279   0.618   0.973
  153GLY      O 2170   1.339   0.521   0.929
  154GLY      N 2171   1.279   0.649   1.104
  154GLY     HN 2172   1.233   0.733   1.137
  154GLY     CA 2173   1.341   0.567   1.208
  154GLY    HA1 2174   1.348   0.464   1.175
  154GLY    HA2 2175   1.279   0.577   1.296
  154GLY      C 2176   1.480   0.611   1.247
  154GLY      O 2177   1.553   0.539   1.312
  155VAL      N 2178   1.521   0.733   1.206
  155VAL     HN 2179   1.457   0.791   1.156
  155VAL     CA 2180   1.653   0.789   1.234
  155VAL     HA 2181   1.728   0.719   1.198
  155VAL     CB 2182   1.674   0.923   1.163
  155VAL     HB 2183   1.593   0.993   1.193
  155VAL    CG1 2184   1.811   0.986   1.196
  155VAL   HG11 2185   1.893   0.915   1.170
  155VAL   HG12 2186   1.821   1.012   1.303
  155VAL   HG13 2187   1.826   1.079   1.136
  155VAL    CG2 2188   1.665   0.899   1.011
  155VAL   HG21 2189   1.566   0.858   0.983
  155VAL   HG22 2190   1.744   0.828   0.979
  155VAL   HG23 2191   1.679   0.995   0.956
  155VAL      C 2192   1.681   0.805   1.383
  155VAL      O 2193   1.786   0.771   1.434
  156SER      N 2194   1.582   0.859   1.458
  156SER     HN 2195   1.497   0.891   1.415
  156SER     CA 2196   1.592   0.876   1.602
  156SER     HA 2197   1.682   0.934   1.621
  156SER     CB 2198   1.471   0.954   1.659
  156SER    HB1 2199   1.472   1.057   1.615
  156SER    HB2 2200   1.479   0.965   1.770
  156SER     OG 2201   1.346   0.894   1.624
  156SER    HG1 2202   1.329   0.917   1.531
  156SER      C 2203   1.610   0.748   1.684
  156SER      O 2204   1.691   0.742   1.775
  157LYS      N 2205   1.532   0.643   1.650
  157LYS     HN 2206   1.466   0.654   1.577
  157LYS     CA 2207   1.538   0.513   1.714
  157LYS     HA 2208   1.539   0.528   1.822
  157LYS     CB 2209   1.414   0.428   1.676
  157LYS    HB1 2210   1.424   0.326   1.719
  157LYS    HB2 2211   1.410   0.419   1.565
  157LYS     CG 2212   1.281   0.485   1.725
  157LYS    HG1 2213   1.266   0.588   1.685
  157LYS    HG2 2214   1.282   0.493   1.837
  157LYS     CD 2215   1.163   0.398   1.681
  157LYS    HD1 2216   1.178   0.294   1.720
  157LYS    HD2 2217   1.165   0.392   1.570
  157LYS     CE 2218   1.027   0.451   1.727
  157LYS    HE1 2219   1.011   0.555   1.689
  157LYS    HE2 2220   1.020   0.452   1.838
  157LYS     NZ 2221   0.918   0.368   1.673
  157LYS    HZ1 2222   0.932   0.268   1.700
  157LYS    HZ2 2223   0.918   0.381   1.568
  157LYS    HZ3 2224   0.827   0.403   1.708
  157LYS      C 2225   1.663   0.433   1.681
  157LYS      O 2226   1.719   0.361   1.763
  158TYR      N 2227   1.708   0.447   1.554
  158TYR     HN 2228   1.663   0.509   1.490
  158TYR     CA 2229   1.814   0.365   1.498
  158TYR     HA 2230   1.856   0.301   1.574
  158TYR     CB 2231   1.758   0.273   1.385
  158TYR    HB1 2232   1.833   0.198   1.356
  158TYR    HB2 2233   1.732   0.334   1.295
  158TYR     CG 2234   1.631   0.203   1.430
  158TYR    CD1 2235   1.633   0.119   1.542
  158TYR    HD1 2236   1.725   0.101   1.594
  158TYR    CE1 2237   1.513   0.064   1.592
  158TYR    HE1 2238   1.515   0.003   1.681
  158TYR     CZ 2239   1.391   0.090   1.528
  158TYR     OH 2240   1.270   0.038   1.577
  158TYR     HH 2241   1.203   0.052   1.507
  158TYR    CD2 2242   1.509   0.225   1.364
  158TYR    HD2 2243   1.506   0.289   1.277
  158TYR    CE2 2244   1.390   0.170   1.413
  158TYR    HE2 2245   1.296   0.191   1.363
  158TYR      C 2246   1.923   0.455   1.443
  158TYR      O 2247   1.912   0.499   1.324
  159PRO      N 2248   2.033   0.484   1.511
  159PRO     CD 2249   2.044   0.459   1.656
  159PRO    HD1 2250   2.097   0.362   1.670
  159PRO    HD2 2251   1.946   0.457   1.708
  159PRO     CA 2252   2.126   0.589   1.469
  159PRO     HA 2253   2.069   0.677   1.444
  159PRO     CB 2254   2.218   0.608   1.591
  159PRO    HB1 2255   2.259   0.711   1.595
  159PRO    HB2 2256   2.302   0.535   1.589
  159PRO     CG 2257   2.126   0.576   1.709
  159PRO    HG1 2258   2.179   0.554   1.803
  159PRO    HG2 2259   2.058   0.663   1.726
  159PRO      C 2260   2.211   0.552   1.349
  159PRO      O 2261   2.278   0.639   1.292
  160THR      N 2262   2.215   0.423   1.311
  160THR     HN 2263   2.163   0.354   1.360
  160THR     CA 2264   2.288   0.373   1.195
  160THR     HA 2265   2.382   0.426   1.188
  160THR     CB 2266   2.316   0.224   1.203
  160THR     HB 2267   2.342   0.180   1.104
  160THR    OG1 2268   2.206   0.154   1.260
  160THR    HG1 2269   2.169   0.101   1.187
  160THR    CG2 2270   2.437   0.202   1.296
  160THR   HG21 2271   2.414   0.237   1.399
  160THR   HG22 2272   2.525   0.257   1.258
  160THR   HG23 2273   2.462   0.094   1.301
  160THR      C 2274   2.213   0.402   1.066
  160THR      O 2275   2.270   0.402   0.957
  161ASN      N 2276   2.083   0.435   1.078
  161ASN     HN 2277   2.040   0.440   1.168
  161ASN     CA 2278   2.007   0.493   0.971
  161ASN     HA 2279   2.041   0.453   0.876
  161ASN     CB 2280   1.856   0.461   0.990
  161ASN    HB1 2281   1.820   0.507   1.085
  161ASN    HB2 2282   1.843   0.352   0.998
  161ASN     CG 2283   1.772   0.511   0.874
  161ASN    OD1 2284   1.823   0.550   0.768
  161ASN    ND2 2285   1.638   0.514   0.894
  161ASN   HD21 2286   1.579   0.535   0.817
  161ASN   HD22 2287   1.600   0.491   0.984
  161ASN      C 2288   2.030   0.643   0.972
  161ASN      O 2289   1.990   0.714   1.064
  162THR      N 2290   2.097   0.696   0.869
  162THR     HN 2291   2.135   0.637   0.799
  162THR     CA 2292   2.121   0.839   0.853
  162THR     HA 2293   2.068   0.894   0.930
  162THR     CB 2294   2.269   0.878   0.862
  162THR     HB 2295   2.281   0.988   0.841
  162THR    OG1 2296   2.352   0.804   0.773
  162THR    HG1 2297   2.430   0.860   0.765
  162THR    CG2 2298   2.319   0.850   1.004
  162THR   HG21 2299   2.313   0.742   1.028
  162THR   HG22 2300   2.257   0.905   1.078
  162THR   HG23 2301   2.424   0.883   1.015
  162THR      C 2302   2.064   0.885   0.722
  162THR      O 2303   2.096   0.993   0.672
  163ALA      N 2304   1.977   0.803   0.661
  163ALA     HN 2305   1.947   0.718   0.706
  163ALA     CA 2306   1.917   0.832   0.533
  163ALA     HA 2307   1.972   0.910   0.482
  163ALA     CB 2308   1.919   0.703   0.449
  163ALA    HB1 2309   1.849   0.627   0.490
  163ALA    HB2 2310   2.021   0.660   0.447
  163ALA    HB3 2311   1.890   0.725   0.344
  163ALA      C 2312   1.775   0.881   0.553
  163ALA      O 2313   1.730   0.977   0.487
  164GLY      N 2314   1.703   0.821   0.649
  164GLY     HN 2315   1.741   0.740   0.695
  164GLY     CA 2316   1.570   0.860   0.691
  164GLY    HA1 2317   1.579   0.959   0.734
  164GLY    HA2 2318   1.535   0.787   0.762
  164GLY      C 2319   1.464   0.870   0.585
  164GLY      O 2320   1.470   0.806   0.478
  165ALA      N 2321   1.362   0.952   0.612
  165ALA     HN 2322   1.359   0.997   0.701
  165ALA     CA 2323   1.245   0.971   0.528
  165ALA     HA 2324   1.198   0.874   0.516
  165ALA     CB 2325   1.148   1.068   0.597
  165ALA    HB1 2326   1.194   1.168   0.608
  165ALA    HB2 2327   1.120   1.029   0.697
  165ALA    HB3 2328   1.054   1.077   0.538
  165ALA      C 2329   1.278   1.020   0.387
  165ALA      O 2330   1.210   0.985   0.290
  166LYS      N 2331   1.387   1.098   0.373
  166LYS     HN 2332   1.443   1.115   0.453
  166LYS     CA 2333   1.437   1.151   0.246
  166LYS     HA 2334   1.357   1.207   0.200
  166LYS     CB 2335   1.559   1.244   0.272
  166LYS    HB1 2336   1.640   1.185   0.320
  166LYS    HB2 2337   1.526   1.322   0.344
  166LYS     CG 2338   1.611   1.313   0.144
  166LYS    HG1 2339   1.523   1.354   0.090
  166LYS    HG2 2340   1.657   1.236   0.077
  166LYS     CD 2341   1.713   1.425   0.170
  166LYS    HD1 2342   1.804   1.380   0.218
  166LYS    HD2 2343   1.667   1.497   0.242
  166LYS     CE 2344   1.754   1.499   0.041
  166LYS    HE1 2345   1.663   1.546  -0.004
  166LYS    HE2 2346   1.797   1.428  -0.032
  166LYS     NZ 2347   1.854   1.606   0.066
  166LYS    HZ1 2348   1.942   1.567   0.106
  166LYS    HZ2 2349   1.818   1.677   0.133
  166LYS    HZ3 2350   1.878   1.656  -0.023
  166LYS      C 2351   1.475   1.042   0.147
  166LYS      O 2352   1.467   1.059   0.025
  167TYR      N 2353   1.520   0.925   0.195
  167TYR     HN 2354   1.526   0.910   0.294
  167TYR     CA 2355   1.554   0.814   0.109
  167TYR     HA 2356   1.541   0.842   0.005
  167TYR     CB 2357   1.701   0.770   0.125
  167TYR    HB1 2358   1.722   0.676   0.069
  167TYR    HB2 2359   1.721   0.752   0.233
  167TYR     CG 2360   1.795   0.877   0.074
  167TYR    CD1 2361   1.851   0.867  -0.054
  167TYR    HD1 2362   1.828   0.783  -0.117
  167TYR    CE1 2363   1.937   0.967  -0.103
  167TYR    HE1 2364   1.980   0.958  -0.202
  167TYR     CZ 2365   1.966   1.079  -0.024
  167TYR     OH 2366   2.051   1.179  -0.075
  167TYR     HH 2367   2.094   1.142  -0.152
  167TYR    CD2 2368   1.829   0.988   0.153
  167TYR    HD2 2369   1.786   0.997   0.252
  167TYR    CE2 2370   1.913   1.089   0.105
  167TYR    HE2 2371   1.938   1.174   0.166
  167TYR      C 2372   1.457   0.699   0.127
  167TYR      O 2373   1.485   0.585   0.090
  168GLY      N 2374   1.336   0.727   0.182
  168GLY     HN 2375   1.316   0.820   0.213
  168GLY     CA 2376   1.225   0.633   0.184
  168GLY    HA1 2377   1.213   0.591   0.086
  168GLY    HA2 2378   1.137   0.687   0.216
  168GLY      C 2379   1.242   0.517   0.278
  168GLY      O 2380   1.198   0.406   0.248
  169THR      N 2381   1.310   0.537   0.392
  169THR     HN 2382   1.347   0.627   0.414
  169THR     CA 2383   1.336   0.429   0.487
  169THR     HA 2384   1.337   0.336   0.432
  169THR     CB 2385   1.470   0.440   0.561
  169THR     HB 2386   1.490   0.345   0.617
  169THR    OG1 2387   1.475   0.547   0.655
  169THR    HG1 2388   1.393   0.540   0.707
  169THR    CG2 2389   1.583   0.459   0.459
  169THR   HG21 2390   1.569   0.553   0.402
  169THR   HG22 2391   1.584   0.374   0.388
  169THR   HG23 2392   1.681   0.465   0.511
  169THR      C 2393   1.226   0.418   0.591
  169THR      O 2394   1.156   0.516   0.621
  170GLY      N 2395   1.214   0.300   0.654
  170GLY     HN 2396   1.261   0.219   0.617
  170GLY     CA 2397   1.136   0.282   0.775
  170GLY    HA1 2398   1.119   0.377   0.823
  170GLY    HA2 2399   1.191   0.213   0.839
  170GLY      C 2400   1.003   0.221   0.750
  170GLY      O 2401   0.918   0.221   0.839
  171TYR      N 2402   0.981   0.165   0.630
  171TYR     HN 2403   1.051   0.165   0.560
  171TYR     CA 2404   0.855   0.104   0.592
  171TYR     HA 2405   0.779   0.180   0.607
  171TYR     CB 2406   0.854   0.067   0.441
  171TYR    HB1 2407   0.935  -0.007   0.421
  171TYR    HB2 2408   0.876   0.158   0.381
  171TYR     CG 2409   0.722   0.011   0.394
  171TYR    CD1 2410   0.605   0.090   0.392
  171TYR    HD1 2411   0.610   0.192   0.426
  171TYR    CE1 2412   0.484   0.038   0.345
  171TYR    HE1 2413   0.395   0.098   0.345
  171TYR     CZ 2414   0.479  -0.094   0.299
  171TYR     OH 2415   0.360  -0.150   0.247
  171TYR     HH 2416   0.359  -0.244   0.274
  171TYR    CD2 2417   0.713  -0.122   0.350
  171TYR    HD2 2418   0.801  -0.184   0.352
  171TYR    CE2 2419   0.592  -0.175   0.303
  171TYR    HE2 2420   0.587  -0.277   0.269
  171TYR      C 2421   0.814  -0.013   0.683
  171TYR      O 2422   0.896  -0.086   0.738
  172CYS      N 2423   0.682  -0.028   0.702
  172CYS     HN 2424   0.614   0.031   0.658
  172CYS     CA 2425   0.626  -0.135   0.779
  172CYS     HA 2426   0.679  -0.227   0.756
  172CYS     CB 2427   0.632  -0.104   0.931
  172CYS    HB1 2428   0.739  -0.097   0.957
  172CYS    HB2 2429   0.589  -0.189   0.987
  172CYS     SG 2430   0.552   0.053   0.980
  172CYS      C 2431   0.485  -0.153   0.731
  172CYS      O 2432   0.425  -0.057   0.682
  173ASP      N 2433   0.430  -0.274   0.743
  173ASP     HN 2434   0.480  -0.351   0.784
  173ASP     CA 2435   0.294  -0.304   0.704
  173ASP     HA 2436   0.231  -0.225   0.745
  173ASP     CB 2437   0.273  -0.303   0.550
  173ASP    HB1 2438   0.316  -0.212   0.506
  173ASP    HB2 2439   0.163  -0.298   0.532
  173ASP     CG 2440   0.320  -0.423   0.469
  173ASP    OD1 2441   0.288  -0.540   0.510
  173ASP    OD2 2442   0.377  -0.402   0.361
  173ASP      C 2443   0.253  -0.430   0.777
  173ASP      O 2444   0.328  -0.486   0.857
  174SER      N 2445   0.128  -0.475   0.756
  174SER     HN 2446   0.071  -0.433   0.684
  174SER     CA 2447   0.067  -0.583   0.831
  174SER     HA 2448   0.097  -0.572   0.934
  174SER     CB 2449  -0.087  -0.572   0.827
  174SER    HB1 2450  -0.116  -0.469   0.859
  174SER    HB2 2451  -0.132  -0.643   0.898
  174SER     OG 2452  -0.140  -0.595   0.696
  174SER    HG1 2453  -0.128  -0.513   0.642
  174SER      C 2454   0.109  -0.723   0.788
  174SER      O 2455   0.090  -0.821   0.862
  175GLN      N 2456   0.176  -0.737   0.672
  175GLN     HN 2457   0.191  -0.658   0.610
  175GLN     CA 2458   0.241  -0.861   0.632
  175GLN     HA 2459   0.177  -0.945   0.658
  175GLN     CB 2460   0.277  -0.863   0.480
  175GLN    HB1 2461   0.323  -0.961   0.456
  175GLN    HB2 2462   0.352  -0.784   0.459
  175GLN     CG 2463   0.159  -0.839   0.385
  175GLN    HG1 2464   0.186  -0.865   0.281
  175GLN    HG2 2465   0.133  -0.731   0.387
  175GLN     CD 2466   0.039  -0.923   0.427
  175GLN    OE1 2467   0.048  -1.046   0.420
  175GLN    NE2 2468  -0.072  -0.857   0.469
  175GLN   HE21 2469  -0.072  -0.756   0.468
  175GLN   HE22 2470  -0.154  -0.905   0.497
  175GLN      C 2471   0.372  -0.878   0.704
  175GLN      O 2472   0.433  -0.985   0.703
  176CYS      N 2473   0.419  -0.768   0.765
  176CYS     HN 2474   0.362  -0.686   0.761
  176CYS     CA 2475   0.548  -0.755   0.827
  176CYS     HA 2476   0.554  -0.652   0.859
  176CYS     CB 2477   0.559  -0.840   0.956
  176CYS    HB1 2478   0.655  -0.817   1.005
  176CYS    HB2 2479   0.558  -0.948   0.929
  176CYS     SG 2480   0.421  -0.809   1.071
  176CYS      C 2481   0.665  -0.779   0.732
  176CYS      O 2482   0.749  -0.865   0.760
  177PRO      N 2483   0.674  -0.706   0.619
  177PRO     CD 2484   0.601  -0.582   0.595
  177PRO    HD1 2485   0.575  -0.526   0.687
  177PRO    HD2 2486   0.508  -0.609   0.540
  177PRO     CA 2487   0.758  -0.737   0.504
  177PRO     HA 2488   0.716  -0.825   0.458
  177PRO     CB 2489   0.745  -0.615   0.411
  177PRO    HB1 2490   0.666  -0.637   0.335
  177PRO    HB2 2491   0.838  -0.587   0.358
  177PRO     CG 2492   0.693  -0.504   0.503
  177PRO    HG1 2493   0.776  -0.461   0.562
  177PRO    HG2 2494   0.639  -0.424   0.448
  177PRO      C 2495   0.902  -0.772   0.535
  177PRO      O 2496   0.974  -0.696   0.599
  178ARG      N 2497   0.946  -0.889   0.484
  178ARG     HN 2498   0.883  -0.946   0.433
  178ARG     CA 2499   1.080  -0.940   0.504
  178ARG     HA 2500   1.128  -0.887   0.585
  178ARG     CB 2501   1.076  -1.092   0.535
  178ARG    HB1 2502   1.180  -1.132   0.539
  178ARG    HB2 2503   1.023  -1.142   0.452
  178ARG     CG 2504   1.006  -1.131   0.667
  178ARG    HG1 2505   0.910  -1.077   0.676
  178ARG    HG2 2506   1.069  -1.099   0.754
  178ARG     CD 2507   0.975  -1.281   0.679
  178ARG    HD1 2508   0.908  -1.312   0.595
  178ARG    HD2 2509   0.924  -1.303   0.776
  178ARG     NE 2510   1.100  -1.361   0.673
  178ARG     HE 2511   1.190  -1.312   0.662
  178ARG     CZ 2512   1.109  -1.491   0.679
  178ARG    NH1 2513   0.994  -1.568   0.691
  178ARG   HH11 2514   0.909  -1.521   0.691
  178ARG   HH12 2515   0.999  -1.666   0.693
  178ARG    NH2 2516   1.219  -1.553   0.675
  178ARG   HH21 2517   1.303  -1.494   0.659
  178ARG   HH22 2518   1.223  -1.651   0.683
  178ARG      C 2519   1.164  -0.921   0.379
  178ARG      O 2520   1.278  -0.964   0.373
  179ASP      N 2521   1.110  -0.853   0.275
  179ASP     HN 2522   1.018  -0.814   0.278
  179ASP     CA 2523   1.181  -0.830   0.152
  179ASP     HA 2524   1.256  -0.906   0.138
  179ASP     CB 2525   1.082  -0.839   0.030
  179ASP    HB1 2526   1.031  -0.937   0.032
  179ASP    HB2 2527   1.142  -0.833  -0.063
  179ASP     CG 2528   0.976  -0.730   0.023
  179ASP    OD1 2529   0.964  -0.647   0.115
  179ASP    OD2 2530   0.901  -0.729  -0.080
  179ASP      C 2531   1.254  -0.696   0.157
  179ASP      O 2532   1.333  -0.661   0.070
  180LEU      N 2533   1.230  -0.617   0.264
  180LEU     HN 2534   1.159  -0.644   0.329
  180LEU     CA 2535   1.297  -0.492   0.288
  180LEU     HA 2536   1.285  -0.433   0.198
  180LEU     CB 2537   1.237  -0.411   0.405
  180LEU    HB1 2538   1.284  -0.310   0.408
  180LEU    HB2 2539   1.260  -0.462   0.501
  180LEU     CG 2540   1.084  -0.392   0.398
  180LEU     HG 2541   1.037  -0.493   0.406
  180LEU    CD1 2542   1.036  -0.309   0.518
  180LEU   HD11 2543   1.082  -0.208   0.518
  180LEU   HD12 2544   1.064  -0.360   0.613
  180LEU   HD13 2545   0.926  -0.298   0.516
  180LEU    CD2 2546   1.038  -0.329   0.266
  180LEU   HD21 2547   1.071  -0.391   0.179
  180LEU   HD22 2548   1.078  -0.226   0.255
  180LEU   HD23 2549   0.927  -0.326   0.262
  180LEU      C 2550   1.446  -0.511   0.309
  180LEU      O 2551   1.492  -0.593   0.387
  181LYS      N 2552   1.526  -0.432   0.235
  181LYS     HN 2553   1.486  -0.368   0.170
  181LYS     CA 2554   1.669  -0.448   0.238
  181LYS     HA 2555   1.691  -0.554   0.248
  181LYS     CB 2556   1.729  -0.403   0.103
  181LYS    HB1 2557   1.838  -0.386   0.111
  181LYS    HB2 2558   1.681  -0.306   0.076
  181LYS     CG 2559   1.704  -0.507  -0.007
  181LYS    HG1 2560   1.596  -0.532  -0.013
  181LYS    HG2 2561   1.757  -0.602   0.021
  181LYS     CD 2562   1.753  -0.464  -0.146
  181LYS    HD1 2563   1.743  -0.553  -0.212
  181LYS    HD2 2564   1.861  -0.438  -0.139
  181LYS     CE 2565   1.673  -0.348  -0.206
  181LYS    HE1 2566   1.687  -0.255  -0.147
  181LYS    HE2 2567   1.564  -0.374  -0.208
  181LYS     NZ 2568   1.714  -0.319  -0.345
  181LYS    HZ1 2569   1.706  -0.403  -0.405
  181LYS    HZ2 2570   1.811  -0.284  -0.346
  181LYS    HZ3 2571   1.651  -0.245  -0.386
  181LYS      C 2572   1.737  -0.384   0.358
  181LYS      O 2573   1.845  -0.424   0.398
  182PHE      N 2574   1.669  -0.286   0.421
  182PHE     HN 2575   1.579  -0.259   0.389
  182PHE     CA 2576   1.717  -0.225   0.543
  182PHE     HA 2577   1.789  -0.290   0.589
  182PHE     CB 2578   1.780  -0.084   0.523
  182PHE    HB1 2579   1.805  -0.038   0.620
  182PHE    HB2 2580   1.709  -0.018   0.469
  182PHE     CG 2581   1.907  -0.095   0.443
  182PHE    CD1 2582   2.030  -0.119   0.507
  182PHE    HD1 2583   2.032  -0.130   0.615
  182PHE    CE1 2584   2.148  -0.131   0.434
  182PHE    HE1 2585   2.241  -0.152   0.484
  182PHE     CZ 2586   2.145  -0.117   0.294
  182PHE     HZ 2587   2.237  -0.127   0.237
  182PHE    CD2 2588   1.906  -0.078   0.304
  182PHE    HD2 2589   1.813  -0.058   0.254
  182PHE    CE2 2590   2.024  -0.090   0.229
  182PHE    HE2 2591   2.021  -0.078   0.122
  182PHE      C 2592   1.604  -0.214   0.643
  182PHE      O 2593   1.500  -0.152   0.615
  183ILE      N 2594   1.621  -0.272   0.762
  183ILE     HN 2595   1.709  -0.317   0.783
  183ILE     CA 2596   1.523  -0.273   0.870
  183ILE     HA 2597   1.448  -0.198   0.850
  183ILE     CB 2598   1.451  -0.407   0.887
  183ILE     HB 2599   1.526  -0.487   0.910
  183ILE    CG2 2600   1.350  -0.398   1.004
  183ILE   HG21 2601   1.275  -0.318   0.985
  183ILE   HG22 2602   1.400  -0.377   1.101
  183ILE   HG23 2603   1.295  -0.494   1.016
  183ILE    CG1 2604   1.379  -0.450   0.756
  183ILE   HG11 2605   1.452  -0.449   0.671
  183ILE   HG12 2606   1.300  -0.375   0.732
  183ILE     CD 2607   1.318  -0.590   0.761
  183ILE    HD1 2608   1.237  -0.596   0.836
  183ILE    HD2 2609   1.395  -0.666   0.786
  183ILE    HD3 2610   1.274  -0.618   0.662
  183ILE      C 2611   1.598  -0.235   0.997
  183ILE      O 2612   1.701  -0.292   1.030
  184ASN      N 2613   1.549  -0.131   1.069
  184ASN     HN 2614   1.464  -0.089   1.041
  184ASN     CA 2615   1.606  -0.084   1.195
  184ASN     HA 2616   1.548   0.003   1.222
  184ASN     CB 2617   1.595  -0.185   1.313
  184ASN    HB1 2618   1.652  -0.149   1.401
  184ASN    HB2 2619   1.637  -0.284   1.283
  184ASN     CG 2620   1.450  -0.201   1.354
  184ASN    OD1 2621   1.355  -0.166   1.286
  184ASN    ND2 2622   1.432  -0.254   1.478
  184ASN   HD21 2623   1.337  -0.268   1.505
  184ASN   HD22 2624   1.512  -0.284   1.529
  184ASN      C 2625   1.748  -0.030   1.185
  184ASN      O 2626   1.829  -0.038   1.276
  185GLY      N 2627   1.779   0.031   1.068
  185GLY     HN 2628   1.712   0.028   0.996
  185GLY     CA 2629   1.909   0.090   1.040
  185GLY    HA1 2630   1.939   0.152   1.123
  185GLY    HA2 2631   1.901   0.145   0.947
  185GLY      C 2632   2.019  -0.011   1.020
  185GLY      O 2633   2.135   0.020   1.029
  186GLN      N 2634   1.979  -0.137   0.991
  186GLN     HN 2635   1.882  -0.160   0.987
  186GLN     CA 2636   2.067  -0.247   0.966
  186GLN     HA 2637   2.169  -0.214   0.955
  186GLN     CB 2638   2.057  -0.356   1.076
  186GLN    HB1 2639   2.137  -0.431   1.055
  186GLN    HB2 2640   1.958  -0.407   1.069
  186GLN     CG 2641   2.076  -0.303   1.219
  186GLN    HG1 2642   1.993  -0.237   1.249
  186GLN    HG2 2643   2.171  -0.245   1.226
  186GLN     CD 2644   2.086  -0.419   1.318
  186GLN    OE1 2645   2.189  -0.439   1.383
  186GLN    NE2 2646   1.978  -0.499   1.330
  186GLN   HE21 2647   1.985  -0.577   1.392
  186GLN   HE22 2648   1.898  -0.481   1.274
  186GLN      C 2649   2.020  -0.308   0.836
  186GLN      O 2650   1.907  -0.280   0.792
  187ALA      N 2651   2.102  -0.389   0.770
  187ALA     HN 2652   2.194  -0.411   0.805
  187ALA     CA 2653   2.059  -0.461   0.652
  187ALA     HA 2654   1.993  -0.397   0.595
  187ALA     CB 2655   2.179  -0.497   0.563
  187ALA    HB1 2656   2.247  -0.567   0.614
  187ALA    HB2 2657   2.235  -0.404   0.539
  187ALA    HB3 2658   2.146  -0.542   0.466
  187ALA      C 2659   1.981  -0.586   0.689
  187ALA      O 2660   1.964  -0.618   0.806
  188ASN      N 2661   1.929  -0.656   0.587
  188ASN     HN 2662   1.937  -0.621   0.495
  188ASN     CA 2663   1.851  -0.777   0.605
  188ASN     HA 2664   1.847  -0.803   0.711
  188ASN     CB 2665   1.709  -0.752   0.549
  188ASN    HB1 2666   1.707  -0.761   0.439
  188ASN    HB2 2667   1.679  -0.648   0.576
  188ASN     CG 2668   1.605  -0.845   0.612
  188ASN    OD1 2669   1.632  -0.923   0.704
  188ASN    ND2 2670   1.480  -0.837   0.561
  188ASN   HD21 2671   1.408  -0.891   0.603
  188ASN   HD22 2672   1.462  -0.771   0.487
  188ASN      C 2673   1.922  -0.892   0.535
  188ASN      O 2674   1.862  -0.993   0.498
  189VAL      N 2675   2.054  -0.878   0.512
  189VAL     HN 2676   2.099  -0.798   0.549
  189VAL     CA 2677   2.140  -0.975   0.444
  189VAL     HA 2678   2.093  -0.995   0.349
  189VAL     CB 2679   2.279  -0.918   0.415
  189VAL     HB 2680   2.266  -0.829   0.349
  189VAL    CG1 2681   2.351  -0.871   0.544
  189VAL   HG11 2682   2.364  -0.955   0.615
  189VAL   HG12 2683   2.295  -0.791   0.595
  189VAL   HG13 2684   2.452  -0.833   0.520
  189VAL    CG2 2685   2.365  -1.021   0.339
  189VAL   HG21 2686   2.309  -1.064   0.254
  189VAL   HG22 2687   2.395  -1.105   0.406
  189VAL   HG23 2688   2.458  -0.973   0.301
  189VAL      C 2689   2.146  -1.109   0.514
  189VAL      O 2690   2.147  -1.215   0.449
  190GLU      N 2691   2.148  -1.113   0.649
  190GLU     HN 2692   2.146  -1.027   0.702
  190GLU     CA 2693   2.143  -1.236   0.724
  190GLU     HA 2694   2.222  -1.299   0.685
  190GLU     CB 2695   2.170  -1.216   0.874
  190GLU    HB1 2696   2.153  -1.312   0.929
  190GLU    HB2 2697   2.096  -1.143   0.913
  190GLU     CG 2698   2.314  -1.169   0.905
  190GLU    HG1 2699   2.338  -1.080   0.844
  190GLU    HG2 2700   2.385  -1.250   0.879
  190GLU     CD 2701   2.331  -1.131   1.052
  190GLU    OE1 2702   2.289  -1.211   1.140
  190GLU    OE2 2703   2.384  -1.020   1.078
  190GLU      C 2704   2.015  -1.314   0.706
  190GLU      O 2705   1.903  -1.267   0.739
  191GLY      N 2706   2.023  -1.436   0.654
  191GLY     HN 2707   2.114  -1.468   0.623
  191GLY     CA 2708   1.908  -1.521   0.627
  191GLY    HA1 2709   1.836  -1.510   0.707
  191GLY    HA2 2710   1.944  -1.621   0.615
  191GLY      C 2711   1.837  -1.486   0.500
  191GLY      O 2712   1.717  -1.513   0.487
  192TRP      N 2713   1.909  -1.428   0.403
  192TRP     HN 2714   2.006  -1.407   0.416
  192TRP     CA 2715   1.853  -1.387   0.276
  192TRP     HA 2716   1.752  -1.354   0.294
  192TRP     CB 2717   1.933  -1.267   0.218
  192TRP    HB1 2718   2.037  -1.300   0.198
  192TRP    HB2 2719   1.938  -1.190   0.299
  192TRP     CG 2720   1.876  -1.202   0.096
  192TRP    CD1 2721   1.905  -1.232  -0.035
  192TRP    HD1 2722   1.971  -1.313  -0.065
  192TRP    NE1 2723   1.835  -1.149  -0.118
  192TRP    HE1 2724   1.835  -1.151  -0.217
  192TRP    CE2 2725   1.758  -1.064  -0.044
  192TRP    CD2 2726   1.782  -1.094   0.093
  192TRP    CE3 2727   1.717  -1.019   0.191
  192TRP    HE3 2728   1.733  -1.040   0.296
  192TRP    CZ3 2729   1.628  -0.918   0.153
  192TRP    HZ3 2730   1.574  -0.862   0.228
  192TRP    CZ2 2731   1.671  -0.963  -0.082
  192TRP    HZ2 2732   1.651  -0.943  -0.186
  192TRP    CH2 2733   1.605  -0.891   0.018
  192TRP    HH2 2734   1.533  -0.814  -0.009
  192TRP      C 2735   1.847  -1.501   0.176
  192TRP      O 2736   1.946  -1.561   0.139
  193GLU      N 2737   1.723  -1.529   0.129
  193GLU     HN 2738   1.645  -1.479   0.165
  193GLU     CA 2739   1.697  -1.627   0.026
  193GLU     HA 2740   1.786  -1.684   0.003
  193GLU     CB 2741   1.588  -1.728   0.071
  193GLU    HB1 2742   1.552  -1.787  -0.016
  193GLU    HB2 2743   1.502  -1.670   0.111
  193GLU     CG 2744   1.635  -1.827   0.181
  193GLU    HG1 2745   1.548  -1.886   0.215
  193GLU    HG2 2746   1.677  -1.770   0.267
  193GLU     CD 2747   1.741  -1.928   0.136
  193GLU    OE1 2748   1.720  -1.990   0.026
  193GLU    OE2 2749   1.835  -1.953   0.213
  193GLU      C 2750   1.649  -1.553  -0.096
  193GLU      O 2751   1.539  -1.490  -0.088
  194PRO      N 2752   1.717  -1.546  -0.208
  194PRO     CD 2753   1.856  -1.594  -0.222
  194PRO    HD1 2754   1.852  -1.705  -0.233
  194PRO    HD2 2755   1.918  -1.565  -0.135
  194PRO     CA 2756   1.666  -1.498  -0.335
  194PRO     HA 2757   1.649  -1.391  -0.323
  194PRO     CB 2758   1.777  -1.528  -0.436
  194PRO    HB1 2759   1.782  -1.452  -0.516
  194PRO    HB2 2760   1.763  -1.628  -0.482
  194PRO     CG 2761   1.904  -1.530  -0.351
  194PRO    HG1 2762   1.986  -1.586  -0.400
  194PRO    HG2 2763   1.936  -1.425  -0.331
  194PRO      C 2764   1.531  -1.556  -0.377
  194PRO      O 2765   1.507  -1.677  -0.362
  195SER      N 2766   1.441  -1.472  -0.429
  195SER     HN 2767   1.457  -1.373  -0.434
  195SER     CA 2768   1.317  -1.517  -0.490
  195SER     HA 2769   1.269  -1.583  -0.420
  195SER     CB 2770   1.218  -1.402  -0.520
  195SER    HB1 2771   1.127  -1.440  -0.572
  195SER    HB2 2772   1.268  -1.326  -0.584
  195SER     OG 2773   1.177  -1.343  -0.397
  195SER    HG1 2774   1.152  -1.251  -0.418
  195SER      C 2775   1.341  -1.596  -0.617
  195SER      O 2776   1.431  -1.570  -0.695
  196SER      N 2777   1.257  -1.699  -0.640
  196SER     HN 2778   1.184  -1.722  -0.576
  196SER     CA 2779   1.281  -1.794  -0.748
  196SER     HA 2780   1.387  -1.803  -0.766
  196SER     CB 2781   1.224  -1.933  -0.711
  196SER    HB1 2782   1.247  -2.007  -0.790
  196SER    HB2 2783   1.113  -1.927  -0.701
  196SER     OG 2784   1.279  -1.978  -0.586
  196SER    HG1 2785   1.374  -1.988  -0.600
  196SER      C 2786   1.215  -1.751  -0.877
  196SER      O 2787   1.247  -1.802  -0.984
  197ASN      N 2788   1.122  -1.654  -0.869
  197ASN     HN 2789   1.096  -1.614  -0.781
  197ASN     CA 2790   1.045  -1.605  -0.982
  197ASN     HA 2791   1.078  -1.653  -1.073
  197ASN     CB 2792   0.894  -1.634  -0.960
  197ASN    HB1 2793   0.883  -1.743  -0.945
  197ASN    HB2 2794   0.837  -1.604  -1.051
  197ASN     CG 2795   0.830  -1.567  -0.838
  197ASN    OD1 2796   0.899  -1.523  -0.743
  197ASN    ND2 2797   0.696  -1.559  -0.837
  197ASN   HD21 2798   0.648  -1.519  -0.759
  197ASN   HD22 2799   0.644  -1.589  -0.918
  197ASN      C 2800   1.066  -1.456  -1.003
  197ASN      O 2801   1.002  -1.398  -1.090
  198ASN      N 2802   1.153  -1.391  -0.925
  198ASN     HN 2803   1.210  -1.440  -0.859
  198ASN     CA 2804   1.173  -1.249  -0.933
  198ASN     HA 2805   1.146  -1.214  -1.032
  198ASN     CB 2806   1.086  -1.175  -0.827
  198ASN    HB1 2807   1.121  -1.203  -0.725
  198ASN    HB2 2808   0.982  -1.212  -0.838
  198ASN     CG 2809   1.088  -1.022  -0.837
  198ASN    OD1 2810   1.184  -0.961  -0.887
  198ASN    ND2 2811   0.979  -0.957  -0.790
  198ASN   HD21 2812   0.973  -0.859  -0.805
  198ASN   HD22 2813   0.898  -1.009  -0.765
  198ASN      C 2814   1.322  -1.225  -0.916
  198ASN      O 2815   1.388  -1.280  -0.831
  199ALA      N 2816   1.377  -1.140  -1.004
  199ALA     HN 2817   1.317  -1.092  -1.068
  199ALA     CA 2818   1.519  -1.119  -1.017
  199ALA     HA 2819   1.572  -1.205  -0.979
  199ALA     CB 2820   1.549  -1.098  -1.166
  199ALA    HB1 2821   1.494  -1.010  -1.204
  199ALA    HB2 2822   1.517  -1.187  -1.223
  199ALA    HB3 2823   1.658  -1.082  -1.184
  199ALA      C 2824   1.566  -0.998  -0.939
  199ALA      O 2825   1.683  -0.961  -0.947
  200ASN      N 2826   1.476  -0.933  -0.862
  200ASN     HN 2827   1.380  -0.962  -0.863
  200ASN     CA 2828   1.510  -0.815  -0.785
  200ASN     HA 2829   1.617  -0.801  -0.783
  200ASN     CB 2830   1.440  -0.691  -0.846
  200ASN    HB1 2831   1.455  -0.601  -0.783
  200ASN    HB2 2832   1.331  -0.709  -0.857
  200ASN     CG 2833   1.496  -0.661  -0.984
  200ASN    OD1 2834   1.428  -0.664  -1.087
  200ASN    ND2 2835   1.627  -0.629  -0.990
  200ASN   HD21 2836   1.660  -0.605  -1.082
  200ASN   HD22 2837   1.685  -0.644  -0.911
  200ASN      C 2838   1.471  -0.827  -0.638
  200ASN      O 2839   1.494  -0.735  -0.561
  201THR      N 2840   1.416  -0.943  -0.594
  201THR     HN 2841   1.406  -1.022  -0.653
  201THR     CA 2842   1.365  -0.959  -0.458
  201THR     HA 2843   1.402  -0.878  -0.396
  201THR     CB 2844   1.212  -0.961  -0.444
  201THR     HB 2845   1.183  -0.967  -0.336
  201THR    OG1 2846   1.150  -1.069  -0.513
  201THR    HG1 2847   1.056  -1.053  -0.501
  201THR    CG2 2848   1.155  -0.830  -0.500
  201THR   HG21 2849   1.180  -0.816  -0.607
  201THR   HG22 2850   1.196  -0.745  -0.442
  201THR   HG23 2851   1.044  -0.826  -0.490
  201THR      C 2852   1.419  -1.085  -0.396
  201THR      O 2853   1.462  -1.179  -0.463
  202GLY      N 2854   1.417  -1.088  -0.262
  202GLY     HN 2855   1.383  -1.011  -0.208
  202GLY     CA 2856   1.443  -1.206  -0.184
  202GLY    HA1 2857   1.549  -1.213  -0.164
  202GLY    HA2 2858   1.400  -1.293  -0.232
  202GLY      C 2859   1.372  -1.187  -0.056
  202GLY      O 2860   1.300  -1.088  -0.038
  203ILE      N 2861   1.389  -1.281   0.036
  203ILE     HN 2862   1.447  -1.361   0.015
  203ILE     CA 2863   1.327  -1.279   0.167
  203ILE     HA 2864   1.277  -1.184   0.184
  203ILE     CB 2865   1.225  -1.392   0.184
  203ILE     HB 2866   1.275  -1.488   0.157
  203ILE    CG2 2867   1.177  -1.401   0.331
  203ILE   HG21 2868   1.131  -1.306   0.362
  203ILE   HG22 2869   1.261  -1.425   0.400
  203ILE   HG23 2870   1.102  -1.482   0.343
  203ILE    CG1 2871   1.107  -1.371   0.086
  203ILE   HG11 2872   1.146  -1.361  -0.017
  203ILE   HG12 2873   1.058  -1.274   0.112
  203ILE     CD 2874   1.003  -1.484   0.088
  203ILE    HD1 2875   0.952  -1.490   0.187
  203ILE    HD2 2876   1.052  -1.582   0.068
  203ILE    HD3 2877   0.925  -1.467   0.011
  203ILE      C 2878   1.439  -1.289   0.267
  203ILE      O 2879   1.514  -1.386   0.268
  204GLY      N 2880   1.455  -1.186   0.353
  204GLY     HN 2881   1.395  -1.106   0.347
  204GLY     CA 2882   1.553  -1.185   0.460
  204GLY    HA1 2883   1.576  -1.082   0.481
  204GLY    HA2 2884   1.642  -1.238   0.428
  204GLY      C 2885   1.508  -1.248   0.588
  204GLY      O 2886   1.400  -1.312   0.599
  205GLY      N 2887   1.589  -1.233   0.693
  205GLY     HN 2888   1.674  -1.180   0.683
  205GLY     CA 2889   1.564  -1.293   0.824
  205GLY    HA1 2890   1.660  -1.299   0.874
  205GLY    HA2 2891   1.518  -1.389   0.810
  205GLY      C 2892   1.475  -1.211   0.912
  205GLY      O 2893   1.411  -1.265   1.003
  206HSD      N 2894   1.469  -1.079   0.891
  206HSD     HN 2895   1.522  -1.038   0.817
  206HSD     CA 2896   1.389  -0.988   0.970
  206HSD     HA 2897   1.348  -1.038   1.057
  206HSD     CB 2898   1.470  -0.865   1.016
  206HSD    HB1 2899   1.407  -0.797   1.077
  206HSD    HB2 2900   1.505  -0.809   0.926
  206HSD    ND1 2901   1.710  -0.832   1.092
  206HSD    HD1 2902   1.730  -0.754   1.033
  206HSD     CG 2903   1.592  -0.901   1.097
  206HSD    CE1 2904   1.798  -0.896   1.174
  206HSD    HE1 2905   1.899  -0.861   1.194
  206HSD    NE2 2906   1.744  -1.003   1.229
  206HSD    CD2 2907   1.613  -1.005   1.183
  206HSD    HD2 2908   1.544  -1.081   1.217
  206HSD      C 2909   1.273  -0.937   0.888
  206HSD      O 2910   1.279  -0.933   0.765
  207GLY      N 2911   1.164  -0.896   0.956
  207GLY     HN 2912   1.162  -0.906   1.056
  207GLY     CA 2913   1.050  -0.829   0.896
  207GLY    HA1 2914   0.964  -0.893   0.905
  207GLY    HA2 2915   1.072  -0.801   0.794
  207GLY      C 2916   1.022  -0.701   0.971
  207GLY      O 2917   1.087  -0.670   1.069
  208SER      N 2918   0.922  -0.624   0.924
  208SER     HN 2919   0.871  -0.651   0.843
  208SER     CA 2920   0.890  -0.495   0.986
  208SER     HA 2921   0.929  -0.492   1.087
  208SER     CB 2922   0.952  -0.380   0.903
  208SER    HB1 2923   0.903  -0.375   0.803
  208SER    HB2 2924   1.059  -0.406   0.886
  208SER     OG 2925   0.948  -0.252   0.966
  208SER    HG1 2926   0.939  -0.189   0.892
  208SER      C 2927   0.740  -0.480   0.998
  208SER      O 2928   0.671  -0.447   0.900
  209CYS      N 2929   0.683  -0.503   1.117
  209CYS     HN 2930   0.741  -0.519   1.197
  209CYS     CA 2931   0.540  -0.498   1.143
  209CYS     HA 2932   0.485  -0.530   1.055
  209CYS     CB 2933   0.500  -0.585   1.266
  209CYS    HB1 2934   0.395  -0.563   1.296
  209CYS    HB2 2935   0.564  -0.555   1.352
  209CYS     SG 2936   0.512  -0.765   1.247
  209CYS      C 2937   0.496  -0.357   1.179
  209CYS      O 2938   0.565  -0.287   1.251
  210CYS      N 2939   0.376  -0.315   1.132
  210CYS     HN 2940   0.326  -0.366   1.061
  210CYS     CA 2941   0.301  -0.208   1.196
  210CYS     HA 2942   0.300  -0.229   1.302
  210CYS     CB 2943   0.357  -0.064   1.176
  210CYS    HB1 2944   0.461  -0.064   1.215
  210CYS    HB2 2945   0.300   0.007   1.240
  210CYS     SG 2946   0.359  -0.001   1.006
  210CYS      C 2947   0.157  -0.213   1.152
  210CYS      O 2948   0.122  -0.283   1.057
  211SER      N 2949   0.068  -0.141   1.223
  211SER     HN 2950   0.101  -0.085   1.299
  211SER     CA 2951  -0.072  -0.126   1.186
  211SER     HA 2952  -0.115  -0.225   1.177
  211SER     CB 2953  -0.154  -0.046   1.291
  211SER    HB1 2954  -0.261  -0.038   1.260
  211SER    HB2 2955  -0.112   0.057   1.299
  211SER     OG 2956  -0.148  -0.109   1.419
  211SER    HG1 2957  -0.054  -0.115   1.439
  211SER      C 2958  -0.094  -0.056   1.053
  211SER      O 2959  -0.018   0.034   1.016
  212GLU      N 2960  -0.200  -0.095   0.980
  212GLU     HN 2961  -0.264  -0.164   1.013
  212GLU     CA 2962  -0.220  -0.056   0.843
  212GLU     HA 2963  -0.169   0.038   0.824
  212GLU     CB 2964  -0.159  -0.163   0.749
  212GLU    HB1 2965  -0.192  -0.264   0.783
  212GLU    HB2 2966  -0.049  -0.159   0.762
  212GLU     CG 2967  -0.193  -0.152   0.599
  212GLU    HG1 2968  -0.180  -0.048   0.562
  212GLU    HG2 2969  -0.297  -0.184   0.576
  212GLU     CD 2970  -0.098  -0.243   0.521
  212GLU    OE1 2971  -0.087  -0.364   0.557
  212GLU    OE2 2972  -0.028  -0.190   0.431
  212GLU      C 2973  -0.366  -0.032   0.813
  212GLU      O 2974  -0.455  -0.100   0.865
  213MET      N 2975  -0.395   0.071   0.732
  213MET     HN 2976  -0.319   0.123   0.691
  213MET     CA 2977  -0.528   0.101   0.687
  213MET     HA 2978  -0.598   0.024   0.718
  213MET     CB 2979  -0.572   0.241   0.737
  213MET    HB1 2980  -0.505   0.318   0.695
  213MET    HB2 2981  -0.558   0.247   0.847
  213MET     CG 2982  -0.718   0.278   0.701
  213MET    HG1 2983  -0.728   0.282   0.591
  213MET    HG2 2984  -0.736   0.381   0.739
  213MET     SD 2985  -0.841   0.165   0.771
  213MET     CE 2986  -0.922   0.121   0.616
  213MET    HE1 2987  -0.854   0.060   0.553
  213MET    HE2 2988  -0.952   0.211   0.558
  213MET    HE3 2989  -1.013   0.059   0.634
  213MET      C 2990  -0.527   0.105   0.536
  213MET      O 2991  -0.484   0.204   0.477
  214ASP      N 2992  -0.583   0.003   0.469
  214ASP     HN 2993  -0.618  -0.080   0.513
  214ASP     CA 2994  -0.603   0.006   0.326
  214ASP     HA 2995  -0.522   0.062   0.280
  214ASP     CB 2996  -0.610  -0.134   0.263
  214ASP    HB1 2997  -0.666  -0.133   0.166
  214ASP    HB2 2998  -0.658  -0.207   0.331
  214ASP     CG 2999  -0.471  -0.180   0.227
  214ASP    OD1 3000  -0.408  -0.106   0.146
  214ASP    OD2 3001  -0.431  -0.289   0.269
  214ASP      C 3002  -0.729   0.081   0.295
  214ASP      O 3003  -0.842   0.031   0.305
  215ILE      N 3004  -0.715   0.209   0.259
  215ILE     HN 3005  -0.623   0.247   0.256
  215ILE     CA 3006  -0.823   0.289   0.205
  215ILE     HA 3007  -0.906   0.285   0.275
  215ILE     CB 3008  -0.780   0.434   0.182
  215ILE     HB 3009  -0.698   0.435   0.106
  215ILE    CG2 3010  -0.897   0.517   0.123
  215ILE   HG21 3011  -0.986   0.507   0.189
  215ILE   HG22 3012  -0.924   0.481   0.022
  215ILE   HG23 3013  -0.867   0.623   0.116
  215ILE    CG1 3014  -0.721   0.500   0.309
  215ILE   HG11 3015  -0.676   0.597   0.277
  215ILE   HG12 3016  -0.637   0.438   0.348
  215ILE     CD 3017  -0.823   0.526   0.420
  215ILE    HD1 3018  -0.874   0.431   0.448
  215ILE    HD2 3019  -0.900   0.599   0.388
  215ILE    HD3 3020  -0.771   0.565   0.510
  215ILE      C 3021  -0.873   0.232   0.073
  215ILE      O 3022  -0.991   0.224   0.046
  216TRP      N 3023  -0.775   0.194  -0.011
  216TRP     HN 3024  -0.679   0.197   0.015
  216TRP     CA 3025  -0.803   0.156  -0.147
  216TRP     HA 3026  -0.901   0.112  -0.154
  216TRP     CB 3027  -0.787   0.283  -0.234
  216TRP    HB1 3028  -0.681   0.317  -0.229
  216TRP    HB2 3029  -0.847   0.362  -0.185
  216TRP     CG 3030  -0.830   0.275  -0.377
  216TRP    CD1 3031  -0.750   0.287  -0.488
  216TRP    HD1 3032  -0.642   0.287  -0.486
  216TRP    NE1 3033  -0.829   0.287  -0.601
  216TRP    HE1 3034  -0.798   0.276  -0.693
  216TRP    CE2 3035  -0.960   0.272  -0.565
  216TRP    CD2 3036  -0.965   0.263  -0.424
  216TRP    CE3 3037  -1.087   0.245  -0.360
  216TRP    HE3 3038  -1.093   0.233  -0.253
  216TRP    CZ3 3039  -1.202   0.234  -0.438
  216TRP    HZ3 3040  -1.297   0.212  -0.390
  216TRP    CZ2 3041  -1.075   0.263  -0.642
  216TRP    HZ2 3042  -1.071   0.266  -0.750
  216TRP    CH2 3043  -1.196   0.243  -0.577
  216TRP    HH2 3044  -1.287   0.229  -0.634
  216TRP      C 3045  -0.700   0.055  -0.190
  216TRP      O 3046  -0.581   0.078  -0.181
  217GLU      N 3047  -0.750  -0.057  -0.244
  217GLU     HN 3048  -0.848  -0.075  -0.243
  217GLU     CA 3049  -0.672  -0.149  -0.321
  217GLU     HA 3050  -0.581  -0.105  -0.358
  217GLU     CB 3051  -0.646  -0.280  -0.244
  217GLU    HB1 3052  -0.604  -0.356  -0.313
  217GLU    HB2 3053  -0.743  -0.319  -0.206
  217GLU     CG 3054  -0.552  -0.261  -0.124
  217GLU    HG1 3055  -0.596  -0.193  -0.047
  217GLU    HG2 3056  -0.454  -0.217  -0.154
  217GLU     CD 3057  -0.529  -0.394  -0.062
  217GLU    OE1 3058  -0.615  -0.459   0.007
  217GLU    OE2 3059  -0.407  -0.450  -0.087
  217GLU    HE2 3060  -0.393  -0.518  -0.022
  217GLU      C 3061  -0.763  -0.180  -0.435
  217GLU      O 3062  -0.873  -0.228  -0.414
  218ALA      N 3063  -0.724  -0.148  -0.559
  218ALA     HN 3064  -0.634  -0.110  -0.579
  218ALA     CA 3065  -0.817  -0.167  -0.667
  218ALA     HA 3066  -0.866  -0.263  -0.653
  218ALA     CB 3067  -0.924  -0.055  -0.672
  218ALA    HB1 3068  -0.878   0.041  -0.700
  218ALA    HB2 3069  -0.972  -0.044  -0.573
  218ALA    HB3 3070  -1.003  -0.080  -0.745
  218ALA      C 3071  -0.750  -0.174  -0.801
  218ALA      O 3072  -0.638  -0.127  -0.825
  219ASN      N 3073  -0.824  -0.233  -0.894
  219ASN     HN 3074  -0.911  -0.275  -0.867
  219ASN     CA 3075  -0.798  -0.225  -1.035
  219ASN     HA 3076  -0.734  -0.140  -1.054
  219ASN     CB 3077  -0.727  -0.353  -1.089
  219ASN    HB1 3078  -0.626  -0.354  -1.043
  219ASN    HB2 3079  -0.714  -0.349  -1.198
  219ASN     CG 3080  -0.799  -0.484  -1.054
  219ASN    OD1 3081  -0.920  -0.489  -1.039
  219ASN    ND2 3082  -0.718  -0.594  -1.044
  219ASN   HD21 3083  -0.756  -0.684  -1.025
  219ASN   HD22 3084  -0.619  -0.581  -1.046
  219ASN      C 3085  -0.932  -0.190  -1.097
  219ASN      O 3086  -1.022  -0.138  -1.031
  220SER      N 3087  -0.949  -0.214  -1.228
  220SER     HN 3088  -0.875  -0.250  -1.284
  220SER     CA 3089  -1.076  -0.185  -1.293
  220SER     HA 3090  -1.112  -0.091  -1.254
  220SER     CB 3091  -1.063  -0.170  -1.447
  220SER    HB1 3092  -0.990  -0.088  -1.467
  220SER    HB2 3093  -1.160  -0.139  -1.491
  220SER     OG 3094  -1.016  -0.288  -1.512
  220SER    HG1 3095  -0.925  -0.300  -1.482
  220SER      C 3096  -1.185  -0.287  -1.264
  220SER      O 3097  -1.302  -0.261  -1.294
  221ILE      N 3098  -1.150  -0.404  -1.206
  221ILE     HN 3099  -1.056  -0.420  -1.176
  221ILE     CA 3100  -1.242  -0.514  -1.186
  221ILE     HA 3101  -1.328  -0.502  -1.250
  221ILE     CB 3102  -1.174  -0.647  -1.221
  221ILE     HB 3103  -1.085  -0.662  -1.154
  221ILE    CG2 3104  -1.271  -0.766  -1.195
  221ILE   HG21 3105  -1.367  -0.749  -1.246
  221ILE   HG22 3106  -1.290  -0.778  -1.086
  221ILE   HG23 3107  -1.226  -0.860  -1.232
  221ILE    CG1 3108  -1.121  -0.647  -1.367
  221ILE   HG11 3109  -1.077  -0.747  -1.387
  221ILE   HG12 3110  -1.039  -0.573  -1.376
  221ILE     CD 3111  -1.227  -0.618  -1.474
  221ILE    HD1 3112  -1.270  -0.517  -1.459
  221ILE    HD2 3113  -1.309  -0.693  -1.469
  221ILE    HD3 3114  -1.181  -0.622  -1.575
  221ILE      C 3115  -1.298  -0.516  -1.045
  221ILE      O 3116  -1.418  -0.527  -1.026
  222SER      N 3117  -1.211  -0.500  -0.942
  222SER     HN 3118  -1.113  -0.485  -0.959
  222SER     CA 3119  -1.252  -0.510  -0.803
  222SER     HA 3120  -1.357  -0.487  -0.795
  222SER     CB 3121  -1.227  -0.651  -0.742
  222SER    HB1 3122  -1.255  -0.652  -0.634
  222SER    HB2 3123  -1.120  -0.677  -0.750
  222SER     OG 3124  -1.306  -0.752  -0.806
  222SER    HG1 3125  -1.313  -0.825  -0.742
  222SER      C 3126  -1.180  -0.408  -0.718
  222SER      O 3127  -1.081  -0.347  -0.762
  223GLU      N 3128  -1.231  -0.384  -0.596
  223GLU     HN 3129  -1.310  -0.434  -0.560
  223GLU     CA 3130  -1.177  -0.289  -0.501
  223GLU     HA 3131  -1.070  -0.286  -0.514
  223GLU     CB 3132  -1.236  -0.146  -0.517
  223GLU    HB1 3133  -1.211  -0.116  -0.622
  223GLU    HB2 3134  -1.183  -0.074  -0.450
  223GLU     CG 3135  -1.391  -0.132  -0.501
  223GLU    HG1 3136  -1.439  -0.231  -0.512
  223GLU    HG2 3137  -1.426  -0.069  -0.585
  223GLU     CD 3138  -1.446  -0.064  -0.375
  223GLU    OE1 3139  -1.368  -0.014  -0.287
  223GLU    OE2 3140  -1.569  -0.050  -0.366
  223GLU      C 3141  -1.203  -0.341  -0.361
  223GLU      O 3142  -1.288  -0.428  -0.341
  224ALA      N 3143  -1.126  -0.293  -0.261
  224ALA     HN 3144  -1.055  -0.225  -0.279
  224ALA     CA 3145  -1.139  -0.336  -0.124
  224ALA     HA 3146  -1.243  -0.359  -0.105
  224ALA     CB 3147  -1.053  -0.462  -0.096
  224ALA    HB1 3148  -0.945  -0.441  -0.112
  224ALA    HB2 3149  -1.084  -0.544  -0.164
  224ALA    HB3 3150  -1.067  -0.497   0.009
  224ALA      C 3151  -1.101  -0.224  -0.028
  224ALA      O 3152  -1.028  -0.130  -0.062
  225LEU      N 3153  -1.156  -0.231   0.094
  225LEU     HN 3154  -1.217  -0.308   0.114
  225LEU     CA 3155  -1.133  -0.140   0.204
  225LEU     HA 3156  -1.045  -0.080   0.186
  225LEU     CB 3157  -1.260  -0.051   0.223
  225LEU    HB1 3158  -1.348  -0.120   0.214
  225LEU    HB2 3159  -1.265   0.019   0.137
  225LEU     CG 3160  -1.276   0.027   0.356
  225LEU     HG 3161  -1.271  -0.046   0.440
  225LEU    CD1 3162  -1.166   0.131   0.376
  225LEU   HD11 3163  -1.166   0.206   0.294
  225LEU   HD12 3164  -1.066   0.081   0.376
  225LEU   HD13 3165  -1.178   0.183   0.473
  225LEU    CD2 3166  -1.414   0.094   0.363
  225LEU   HD21 3167  -1.494   0.016   0.355
  225LEU   HD22 3168  -1.426   0.166   0.280
  225LEU   HD23 3169  -1.427   0.146   0.460
  225LEU      C 3170  -1.107  -0.223   0.328
  225LEU      O 3171  -1.197  -0.294   0.374
  226THR      N 3172  -0.985  -0.218   0.384
  226THR     HN 3173  -0.914  -0.159   0.347
  226THR     CA 3174  -0.942  -0.317   0.483
  226THR     HA 3175  -1.028  -0.371   0.521
  226THR     CB 3176  -0.849  -0.423   0.424
  226THR     HB 3177  -0.745  -0.385   0.409
  226THR    OG1 3178  -0.896  -0.469   0.298
  226THR    HG1 3179  -0.824  -0.523   0.263
  226THR    CG2 3180  -0.845  -0.544   0.518
  226THR   HG21 3181  -0.946  -0.585   0.536
  226THR   HG22 3182  -0.798  -0.517   0.614
  226THR   HG23 3183  -0.783  -0.625   0.473
  226THR      C 3184  -0.870  -0.251   0.600
  226THR      O 3185  -0.763  -0.188   0.579
  227PRO      N 3186  -0.914  -0.257   0.724
  227PRO     CD 3187  -1.057  -0.266   0.758
  227PRO    HD1 3188  -1.097  -0.365   0.729
  227PRO    HD2 3189  -1.112  -0.185   0.706
  227PRO     CA 3190  -0.832  -0.221   0.839
  227PRO     HA 3191  -0.758  -0.146   0.813
  227PRO     CB 3192  -0.934  -0.171   0.943
  227PRO    HB1 3193  -0.951  -0.063   0.926
  227PRO    HB2 3194  -0.900  -0.186   1.047
  227PRO     CG 3195  -1.063  -0.248   0.910
  227PRO    HG1 3196  -1.060  -0.348   0.959
  227PRO    HG2 3197  -1.153  -0.193   0.943
  227PRO      C 3198  -0.757  -0.343   0.891
  227PRO      O 3199  -0.813  -0.453   0.895
  228HSD      N 3200  -0.631  -0.325   0.936
  228HSD     HN 3201  -0.586  -0.236   0.927
  228HSD     CA 3202  -0.549  -0.431   0.990
  228HSD     HA 3203  -0.605  -0.524   0.995
  228HSD     CB 3204  -0.426  -0.458   0.900
  228HSD    HB1 3205  -0.357  -0.531   0.948
  228HSD    HB2 3206  -0.371  -0.364   0.881
  228HSD    ND1 3207  -0.461  -0.649   0.739
  228HSD    HD1 3208  -0.425  -0.721   0.798
  228HSD     CG 3209  -0.468  -0.515   0.769
  228HSD    CE1 3210  -0.493  -0.661   0.608
  228HSD    HE1 3211  -0.493  -0.756   0.554
  228HSD    NE2 3212  -0.520  -0.545   0.554
  228HSD    CD2 3213  -0.501  -0.452   0.654
  228HSD    HD2 3214  -0.512  -0.346   0.631
  228HSD      C 3215  -0.495  -0.394   1.128
  228HSD      O 3216  -0.414  -0.301   1.139
  229PRO      N 3217  -0.533  -0.460   1.236
  229PRO     CD 3218  -0.654  -0.543   1.245
  229PRO    HD1 3219  -0.647  -0.631   1.177
  229PRO    HD2 3220  -0.742  -0.481   1.218
  229PRO     CA 3221  -0.476  -0.433   1.367
  229PRO     HA 3222  -0.449  -0.329   1.376
  229PRO     CB 3223  -0.587  -0.476   1.465
  229PRO    HB1 3224  -0.656  -0.390   1.481
  229PRO    HB2 3225  -0.549  -0.509   1.564
  229PRO     CG 3226  -0.662  -0.587   1.391
  229PRO    HG1 3227  -0.607  -0.683   1.401
  229PRO    HG2 3228  -0.766  -0.601   1.426
  229PRO      C 3229  -0.351  -0.515   1.388
  229PRO      O 3230  -0.333  -0.623   1.331
  230CYS      N 3231  -0.261  -0.465   1.472
  230CYS     HN 3232  -0.275  -0.376   1.514
  230CYS     CA 3233  -0.145  -0.539   1.515
  230CYS     HA 3234  -0.159  -0.645   1.497
  230CYS     CB 3235  -0.014  -0.488   1.450
  230CYS    HB1 3236   0.072  -0.548   1.486
  230CYS    HB2 3237   0.003  -0.382   1.480
  230CYS     SG 3238  -0.019  -0.491   1.269
  230CYS      C 3239  -0.138  -0.518   1.664
  230CYS      O 3240  -0.186  -0.417   1.717
  231THR      N 3241  -0.079  -0.613   1.738
  231THR     HN 3242  -0.042  -0.696   1.695
  231THR     CA 3243  -0.064  -0.602   1.883
  231THR     HA 3244  -0.163  -0.586   1.923
  231THR     CB 3245  -0.010  -0.729   1.947
  231THR     HB 3246  -0.002  -0.718   2.058
  231THR    OG1 3247   0.116  -0.766   1.894
  231THR    HG1 3248   0.181  -0.701   1.922
  231THR    CG2 3249  -0.108  -0.845   1.917
  231THR   HG21 3250  -0.112  -0.866   1.808
  231THR   HG22 3251  -0.210  -0.820   1.952
  231THR   HG23 3252  -0.074  -0.937   1.969
  231THR      C 3253   0.019  -0.482   1.925
  231THR      O 3254  -0.013  -0.408   2.019
  232THR      N 3255   0.127  -0.456   1.848
  232THR     HN 3256   0.145  -0.514   1.769
  232THR     CA 3257   0.213  -0.340   1.861
  232THR     HA 3258   0.196  -0.292   1.956
  232THR     CB 3259   0.362  -0.373   1.851
  232THR     HB 3260   0.384  -0.425   1.755
  232THR    OG1 3261   0.400  -0.457   1.959
  232THR    HG1 3262   0.486  -0.498   1.930
  232THR    CG2 3263   0.447  -0.245   1.863
  232THR   HG21 3264   0.424  -0.191   1.957
  232THR   HG22 3265   0.431  -0.178   1.776
  232THR   HG23 3266   0.554  -0.273   1.865
  232THR      C 3267   0.173  -0.246   1.750
  232THR      O 3268   0.177  -0.280   1.632
  233VAL      N 3269   0.123  -0.126   1.786
  233VAL     HN 3270   0.121  -0.101   1.882
  233VAL     CA 3271   0.065  -0.031   1.692
  233VAL     HA 3272  -0.013  -0.082   1.638
  233VAL     CB 3273   0.001   0.086   1.768
  233VAL     HB 3274   0.076   0.131   1.837
  233VAL    CG1 3275  -0.050   0.197   1.673
  233VAL   HG11 3276  -0.116   0.152   1.595
  233VAL   HG12 3277   0.033   0.249   1.621
  233VAL   HG13 3278  -0.109   0.273   1.729
  233VAL    CG2 3279  -0.118   0.031   1.850
  233VAL   HG21 3280  -0.087  -0.048   1.920
  233VAL   HG22 3281  -0.194  -0.013   1.781
  233VAL   HG23 3282  -0.167   0.113   1.907
  233VAL      C 3283   0.162   0.021   1.587
  233VAL      O 3284   0.129   0.026   1.468
  234GLY      N 3285   0.284   0.059   1.628
  234GLY     HN 3286   0.313   0.038   1.722
  234GLY     CA 3287   0.383   0.121   1.542
  234GLY    HA1 3288   0.437   0.190   1.602
  234GLY    HA2 3289   0.335   0.168   1.457
  234GLY      C 3290   0.484   0.025   1.490
  234GLY      O 3291   0.473  -0.095   1.507
  235GLN      N 3292   0.590   0.080   1.427
  235GLN     HN 3293   0.593   0.178   1.410
  235GLN     CA 3294   0.698   0.004   1.369
  235GLN     HA 3295   0.655  -0.063   1.297
  235GLN     CB 3296   0.792   0.101   1.292
  235GLN    HB1 3297   0.843   0.171   1.362
  235GLN    HB2 3298   0.725   0.163   1.227
  235GLN     CG 3299   0.896   0.035   1.197
  235GLN    HG1 3300   0.931   0.112   1.125
  235GLN    HG2 3301   0.844  -0.044   1.139
  235GLN     CD 3302   1.020  -0.023   1.267
  235GLN    OE1 3303   1.085   0.038   1.352
  235GLN    NE2 3304   1.058  -0.145   1.224
  235GLN   HE21 3305   1.144  -0.183   1.263
  235GLN   HE22 3306   1.008  -0.192   1.153
  235GLN      C 3307   0.774  -0.081   1.471
  235GLN      O 3308   0.817  -0.036   1.576
  236GLU      N 3309   0.788  -0.212   1.438
  236GLU     HN 3310   0.746  -0.246   1.354
  236GLU     CA 3311   0.844  -0.312   1.525
  236GLU     HA 3312   0.916  -0.266   1.590
  236GLU     CB 3313   0.731  -0.381   1.608
  236GLU    HB1 3314   0.655  -0.421   1.536
  236GLU    HB2 3315   0.680  -0.301   1.667
  236GLU     CG 3316   0.775  -0.495   1.702
  236GLU    HG1 3317   0.849  -0.458   1.776
  236GLU    HG2 3318   0.820  -0.578   1.645
  236GLU     CD 3319   0.659  -0.555   1.782
  236GLU    OE1 3320   0.566  -0.614   1.720
  236GLU    OE2 3321   0.661  -0.544   1.907
  236GLU      C 3322   0.917  -0.412   1.438
  236GLU      O 3323   0.873  -0.446   1.327
  237ILE      N 3324   1.034  -0.461   1.482
  237ILE     HN 3325   1.068  -0.439   1.573
  237ILE     CA 3326   1.107  -0.565   1.412
  237ILE     HA 3327   1.083  -0.560   1.306
  237ILE     CB 3328   1.258  -0.550   1.426
  237ILE     HB 3329   1.280  -0.444   1.400
  237ILE    CG2 3330   1.303  -0.578   1.571
  237ILE   HG21 3331   1.293  -0.687   1.594
  237ILE   HG22 3332   1.242  -0.522   1.645
  237ILE   HG23 3333   1.410  -0.551   1.585
  237ILE    CG1 3334   1.337  -0.636   1.323
  237ILE   HG11 3335   1.289  -0.623   1.223
  237ILE   HG12 3336   1.329  -0.744   1.350
  237ILE     CD 3337   1.485  -0.597   1.312
  237ILE    HD1 3338   1.538  -0.619   1.407
  237ILE    HD2 3339   1.496  -0.489   1.288
  237ILE    HD3 3340   1.533  -0.656   1.232
  237ILE      C 3341   1.061  -0.701   1.461
  237ILE      O 3342   1.021  -0.718   1.577
  238CYS      N 3343   1.064  -0.801   1.373
  238CYS     HN 3344   1.101  -0.788   1.282
  238CYS     CA 3345   1.015  -0.934   1.403
  238CYS     HA 3346   1.022  -0.953   1.508
  238CYS     CB 3347   0.868  -0.954   1.359
  238CYS    HB1 3348   0.803  -0.908   1.437
  238CYS    HB2 3349   0.842  -1.062   1.355
  238CYS     SG 3350   0.832  -0.873   1.200
  238CYS    HG1 3351   0.845  -0.749   1.247
  238CYS      C 3352   1.107  -1.033   1.336
  238CYS      O 3353   1.184  -0.999   1.248
  239GLU      N 3354   1.101  -1.161   1.383
  239GLU     HN 3355   1.032  -1.189   1.449
  239GLU     CA 3356   1.204  -1.258   1.354
  239GLU     HA 3357   1.285  -1.212   1.299
  239GLU     CB 3358   1.260  -1.318   1.486
  239GLU    HB1 3359   1.340  -1.389   1.458
  239GLU    HB2 3360   1.179  -1.374   1.539
  239GLU     CG 3361   1.320  -1.216   1.585
  239GLU    HG1 3362   1.364  -1.270   1.672
  239GLU    HG2 3363   1.242  -1.146   1.623
  239GLU     CD 3364   1.433  -1.134   1.523
  239GLU    OE1 3365   1.531  -1.199   1.481
  239GLU    OE2 3366   1.424  -1.008   1.527
  239GLU      C 3367   1.152  -1.373   1.271
  239GLU      O 3368   1.051  -1.438   1.306
  240GLY      N 3369   1.222  -1.409   1.162
  240GLY     HN 3370   1.297  -1.349   1.131
  240GLY     CA 3371   1.198  -1.528   1.079
  240GLY    HA1 3372   1.228  -1.613   1.138
  240GLY    HA2 3373   1.258  -1.515   0.990
  240GLY      C 3374   1.056  -1.550   1.035
  240GLY      O 3375   0.987  -1.459   0.992
  241ASP      N 3376   1.004  -1.673   1.048
  241ASP     HN 3377   1.061  -1.751   1.072
  241ASP     CA 3378   0.868  -1.706   1.009
  241ASP     HA 3379   0.837  -1.640   0.929
  241ASP     CB 3380   0.860  -1.852   0.960
  241ASP    HB1 3381   0.757  -1.877   0.929
  241ASP    HB2 3382   0.890  -1.923   1.041
  241ASP     CG 3383   0.955  -1.874   0.842
  241ASP    OD1 3384   0.908  -1.861   0.722
  241ASP    OD2 3385   1.074  -1.891   0.863
  241ASP      C 3386   0.772  -1.679   1.126
  241ASP      O 3387   0.653  -1.714   1.124
  242GLY      N 3388   0.821  -1.610   1.231
  242GLY     HN 3389   0.918  -1.583   1.230
  242GLY     CA 3390   0.743  -1.551   1.338
  242GLY    HA1 3391   0.808  -1.536   1.422
  242GLY    HA2 3392   0.658  -1.615   1.360
  242GLY      C 3393   0.691  -1.416   1.300
  242GLY      O 3394   0.605  -1.361   1.370
  243CYS      N 3395   0.743  -1.357   1.190
  243CYS     HN 3396   0.818  -1.402   1.142
  243CYS     CA 3397   0.693  -1.236   1.127
  243CYS     HA 3398   0.693  -1.157   1.201
  243CYS     CB 3399   0.779  -1.194   1.005
  243CYS    HB1 3400   0.736  -1.102   0.959
  243CYS    HB2 3401   0.774  -1.274   0.928
  243CYS     SG 3402   0.953  -1.162   1.048
  243CYS    HG1 3403   0.986  -1.288   1.071
  243CYS      C 3404   0.550  -1.250   1.079
  243CYS      O 3405   0.468  -1.161   1.097
  244GLY      N 3406   0.518  -1.366   1.019
  244GLY     HN 3407   0.588  -1.437   1.009
  244GLY     CA 3408   0.391  -1.391   0.952
  244GLY    HA1 3409   0.311  -1.356   1.015
  244GLY    HA2 3410   0.387  -1.497   0.932
  244GLY      C 3411   0.379  -1.324   0.819
  244GLY      O 3412   0.478  -1.294   0.752
  245GLY      N 3413   0.253  -1.307   0.775
  245GLY     HN 3414   0.178  -1.341   0.832
  245GLY     CA 3415   0.215  -1.250   0.647
  245GLY    HA1 3416   0.258  -1.151   0.642
  245GLY    HA2 3417   0.107  -1.249   0.642
  245GLY      C 3418   0.264  -1.326   0.527
  245GLY      O 3419   0.295  -1.446   0.531
  246THR      N 3420   0.267  -1.257   0.414
  246THR     HN 3421   0.235  -1.161   0.418
  246THR     CA 3422   0.297  -1.309   0.280
  246THR     HA 3423   0.224  -1.385   0.258
  246THR     CB 3424   0.283  -1.199   0.177
  246THR     HB 3425   0.348  -1.112   0.203
  246THR    OG1 3426   0.147  -1.158   0.175
  246THR    HG1 3427   0.131  -1.100   0.251
  246THR    CG2 3428   0.318  -1.246   0.035
  246THR   HG21 3429   0.257  -1.334   0.007
  246THR   HG22 3430   0.426  -1.271   0.024
  246THR   HG23 3431   0.297  -1.164  -0.038
  246THR      C 3432   0.431  -1.376   0.268
  246THR      O 3433   0.447  -1.479   0.201
  247TYR      N 3434   0.533  -1.321   0.336
  247TYR     HN 3435   0.515  -1.242   0.394
  247TYR     CA 3436   0.671  -1.360   0.322
  247TYR     HA 3437   0.687  -1.403   0.223
  247TYR     CB 3438   0.763  -1.237   0.339
  247TYR    HB1 3439   0.870  -1.265   0.324
  247TYR    HB2 3440   0.752  -1.193   0.441
  247TYR     CG 3441   0.729  -1.131   0.237
  247TYR    CD1 3442   0.780  -1.142   0.107
  247TYR    HD1 3443   0.841  -1.227   0.080
  247TYR    CE1 3444   0.753  -1.044   0.010
  247TYR    HE1 3445   0.794  -1.053  -0.089
  247TYR     CZ 3446   0.673  -0.935   0.043
  247TYR     OH 3447   0.654  -0.837  -0.056
  247TYR     HH 3448   0.743  -0.802  -0.078
  247TYR    CD2 3449   0.648  -1.020   0.269
  247TYR    HD2 3450   0.608  -1.010   0.369
  247TYR    CE2 3451   0.619  -0.923   0.172
  247TYR    HE2 3452   0.557  -0.837   0.196
  247TYR      C 3453   0.714  -1.467   0.422
  247TYR      O 3454   0.831  -1.492   0.440
  248SER      N 3455   0.617  -1.533   0.490
  248SER     HN 3456   0.520  -1.511   0.477
  248SER     CA 3457   0.647  -1.641   0.584
  248SER     HA 3458   0.750  -1.672   0.572
  248SER     CB 3459   0.624  -1.600   0.732
  248SER    HB1 3460   0.653  -1.683   0.800
  248SER    HB2 3461   0.516  -1.577   0.748
  248SER     OG 3462   0.702  -1.484   0.763
  248SER    HG1 3463   0.648  -1.408   0.732
  248SER      C 3464   0.564  -1.763   0.556
  248SER      O 3465   0.455  -1.755   0.495
  249ASP      N 3466   0.610  -1.883   0.595
  249ASP     HN 3467   0.699  -1.891   0.643
  249ASP     CA 3468   0.539  -2.009   0.572
  249ASP     HA 3469   0.515  -2.009   0.467
  249ASP     CB 3470   0.630  -2.134   0.597
  249ASP    HB1 3471   0.729  -2.115   0.550
  249ASP    HB2 3472   0.584  -2.220   0.545
  249ASP     CG 3473   0.654  -2.178   0.742
  249ASP    OD1 3474   0.650  -2.094   0.833
  249ASP    OD2 3475   0.689  -2.299   0.757
  249ASP      C 3476   0.406  -2.017   0.646
  249ASP      O 3477   0.304  -2.067   0.593
  250ASN      N 3478   0.402  -1.966   0.768
  250ASN     HN 3479   0.490  -1.937   0.807
  250ASN     CA 3480   0.285  -1.954   0.851
  250ASN     HA 3481   0.206  -2.014   0.810
  250ASN     CB 3482   0.317  -2.002   0.995
  250ASN    HB1 3483   0.403  -1.944   1.034
  250ASN    HB2 3484   0.347  -2.109   0.991
  250ASN     CG 3485   0.197  -1.987   1.087
  250ASN    OD1 3486   0.084  -1.968   1.044
  250ASN    ND2 3487   0.222  -1.992   1.220
  250ASN   HD21 3488   0.143  -1.975   1.280
  250ASN   HD22 3489   0.316  -1.996   1.251
  250ASN      C 3490   0.241  -1.809   0.848
  250ASN      O 3491   0.299  -1.722   0.909
  251ARG      N 3492   0.131  -1.783   0.773
  251ARG     HN 3493   0.084  -1.858   0.729
  251ARG     CA 3494   0.078  -1.650   0.749
  251ARG     HA 3495   0.159  -1.590   0.710
  251ARG     CB 3496  -0.032  -1.659   0.641
  251ARG    HB1 3497  -0.112  -1.729   0.675
  251ARG    HB2 3498   0.017  -1.703   0.550
  251ARG     CG 3499  -0.096  -1.525   0.601
  251ARG    HG1 3500  -0.015  -1.451   0.583
  251ARG    HG2 3501  -0.157  -1.487   0.687
  251ARG     CD 3502  -0.187  -1.532   0.477
  251ARG    HD1 3503  -0.275  -1.597   0.498
  251ARG    HD2 3504  -0.131  -1.576   0.391
  251ARG     NE 3505  -0.234  -1.395   0.445
  251ARG     HE 3506  -0.325  -1.361   0.482
  251ARG     CZ 3507  -0.176  -1.308   0.363
  251ARG    NH1 3508  -0.065  -1.340   0.295
  251ARG   HH11 3509  -0.025  -1.427   0.308
  251ARG   HH12 3510  -0.025  -1.268   0.237
  251ARG    NH2 3511  -0.227  -1.191   0.347
  251ARG   HH21 3512  -0.308  -1.165   0.402
  251ARG   HH22 3513  -0.184  -1.122   0.288
  251ARG      C 3514   0.030  -1.579   0.875
  251ARG      O 3515   0.052  -1.461   0.895
  252TYR      N 3516  -0.033  -1.654   0.967
  252TYR     HN 3517  -0.043  -1.752   0.955
  252TYR     CA 3518  -0.103  -1.597   1.082
  252TYR     HA 3519  -0.120  -1.491   1.066
  252TYR     CB 3520  -0.240  -1.667   1.101
  252TYR    HB1 3521  -0.301  -1.615   1.178
  252TYR    HB2 3522  -0.227  -1.773   1.132
  252TYR     CG 3523  -0.316  -1.664   0.971
  252TYR    CD1 3524  -0.380  -1.546   0.931
  252TYR    HD1 3525  -0.377  -1.458   0.993
  252TYR    CE1 3526  -0.451  -1.542   0.810
  252TYR    HE1 3527  -0.502  -1.450   0.782
  252TYR     CZ 3528  -0.459  -1.655   0.729
  252TYR     OH 3529  -0.534  -1.650   0.609
  252TYR     HH 3530  -0.569  -1.558   0.599
  252TYR    CD2 3531  -0.323  -1.777   0.888
  252TYR    HD2 3532  -0.273  -1.868   0.918
  252TYR    CE2 3533  -0.393  -1.773   0.767
  252TYR    HE2 3534  -0.399  -1.860   0.703
  252TYR      C 3535  -0.019  -1.611   1.207
  252TYR      O 3536  -0.068  -1.602   1.321
  253GLY      N 3537   0.112  -1.635   1.190
  253GLY     HN 3538   0.146  -1.643   1.096
  253GLY     CA 3539   0.207  -1.653   1.299
  253GLY    HA1 3540   0.299  -1.691   1.255
  253GLY    HA2 3541   0.165  -1.720   1.372
  253GLY      C 3542   0.244  -1.525   1.370
  253GLY      O 3543   0.283  -1.528   1.487
  254GLY      N 3544   0.235  -1.411   1.299
  254GLY     HN 3545   0.195  -1.413   1.207
  254GLY     CA 3546   0.284  -1.282   1.344
  254GLY    HA1 3547   0.292  -1.220   1.256
  254GLY    HA2 3548   0.379  -1.298   1.392
  254GLY      C 3549   0.201  -1.207   1.443
  254GLY      O 3550   0.094  -1.248   1.489
  255THR      N 3551   0.253  -1.088   1.480
  255THR     HN 3552   0.341  -1.057   1.444
  255THR     CA 3553   0.192  -0.992   1.571
  255THR     HA 3554   0.141  -1.046   1.649
  255THR     CB 3555   0.293  -0.897   1.635
  255THR     HB 3556   0.250  -0.797   1.660
  255THR    OG1 3557   0.408  -0.879   1.553
  255THR    HG1 3558   0.453  -0.799   1.586
  255THR    CG2 3559   0.343  -0.960   1.766
  255THR   HG21 3560   0.385  -1.061   1.747
  255THR   HG22 3561   0.259  -0.970   1.838
  255THR   HG23 3562   0.421  -0.896   1.812
  255THR      C 3563   0.086  -0.909   1.501
  255THR      O 3564  -0.003  -0.853   1.566
  256CYS      N 3565   0.093  -0.901   1.368
  256CYS     HN 3566   0.167  -0.947   1.319
  256CYS     CA 3567  -0.007  -0.836   1.285
  256CYS     HA 3568  -0.063  -0.766   1.344
  256CYS     CB 3569   0.057  -0.761   1.166
  256CYS    HB1 3570  -0.019  -0.735   1.089
  256CYS    HB2 3571   0.131  -0.828   1.116
  256CYS     SG 3572   0.138  -0.607   1.215
  256CYS      C 3573  -0.107  -0.935   1.231
  256CYS      O 3574  -0.082  -1.055   1.223
  257ASP      N 3575  -0.225  -0.884   1.195
  257ASP     HN 3576  -0.247  -0.787   1.207
  257ASP     CA 3577  -0.326  -0.955   1.120
  257ASP     HA 3578  -0.320  -1.061   1.140
  257ASP     CB 3579  -0.463  -0.904   1.168
  257ASP    HB1 3580  -0.461  -0.792   1.168
  257ASP    HB2 3581  -0.485  -0.938   1.271
  257ASP     CG 3582  -0.579  -0.944   1.079
  257ASP    OD1 3583  -0.570  -1.052   1.011
  257ASP    OD2 3584  -0.680  -0.874   1.084
  257ASP      C 3585  -0.302  -0.924   0.972
  257ASP      O 3586  -0.303  -0.807   0.938
  258PRO      N 3587  -0.281  -1.020   0.882
  258PRO     CD 3588  -0.249  -1.158   0.917
  258PRO    HD1 3589  -0.340  -1.210   0.955
  258PRO    HD2 3590  -0.168  -1.160   0.994
  258PRO     CA 3591  -0.239  -0.986   0.747
  258PRO     HA 3592  -0.195  -0.887   0.741
  258PRO     CB 3593  -0.140  -1.099   0.714
  258PRO    HB1 3594  -0.041  -1.072   0.754
  258PRO    HB2 3595  -0.130  -1.117   0.604
  258PRO     CG 3596  -0.197  -1.220   0.788
  258PRO    HG1 3597  -0.283  -1.263   0.730
  258PRO    HG2 3598  -0.122  -1.299   0.805
  258PRO      C 3599  -0.356  -0.991   0.652
  258PRO      O 3600  -0.336  -0.962   0.534
  259ASP      N 3601  -0.477  -1.031   0.697
  259ASP     HN 3602  -0.491  -1.055   0.793
  259ASP     CA 3603  -0.591  -1.044   0.609
  259ASP     HA 3604  -0.561  -1.037   0.505
  259ASP     CB 3605  -0.664  -1.180   0.631
  259ASP    HB1 3606  -0.763  -1.177   0.580
  259ASP    HB2 3607  -0.682  -1.195   0.739
  259ASP     CG 3608  -0.587  -1.300   0.576
  259ASP    OD1 3609  -0.470  -1.288   0.530
  259ASP    OD2 3610  -0.643  -1.414   0.581
  259ASP      C 3611  -0.685  -0.926   0.631
  259ASP      O 3612  -0.737  -0.869   0.535
  260GLY      N 3613  -0.702  -0.881   0.758
  260GLY     HN 3614  -0.658  -0.927   0.835
  260GLY     CA 3615  -0.794  -0.775   0.795
  260GLY    HA1 3616  -0.771  -0.688   0.737
  260GLY    HA2 3617  -0.782  -0.757   0.900
  260GLY      C 3618  -0.940  -0.807   0.775
  260GLY      O 3619  -0.980  -0.919   0.743
  261CYS      N 3620  -1.026  -0.707   0.798
  261CYS     HN 3621  -0.990  -0.618   0.823
  261CYS     CA 3622  -1.171  -0.719   0.783
  261CYS     HA 3623  -1.201  -0.823   0.775
  261CYS     CB 3624  -1.240  -0.654   0.907
  261CYS    HB1 3625  -1.199  -0.552   0.920
  261CYS    HB2 3626  -1.209  -0.714   0.995
  261CYS     SG 3627  -1.421  -0.645   0.903
  261CYS      C 3628  -1.208  -0.651   0.653
  261CYS      O 3629  -1.255  -0.538   0.652
  262ASP      N 3630  -1.177  -0.717   0.539
  262ASP     HN 3631  -1.147  -0.812   0.538
  262ASP     CA 3632  -1.191  -0.658   0.408
  262ASP     HA 3633  -1.153  -0.557   0.417
  262ASP     CB 3634  -1.102  -0.725   0.298
  262ASP    HB1 3635  -0.998  -0.725   0.337
  262ASP    HB2 3636  -1.103  -0.662   0.206
  262ASP     CG 3637  -1.134  -0.869   0.260
  262ASP    OD1 3638  -1.126  -0.957   0.347
  262ASP    OD2 3639  -1.159  -0.897   0.139
  262ASP      C 3640  -1.335  -0.640   0.364
  262ASP      O 3641  -1.421  -0.730   0.367
  263TRP      N 3642  -1.371  -0.520   0.319
  263TRP     HN 3643  -1.305  -0.444   0.324
  263TRP     CA 3644  -1.499  -0.496   0.258
  263TRP     HA 3645  -1.566  -0.580   0.274
  263TRP     CB 3646  -1.566  -0.368   0.314
  263TRP    HB1 3647  -1.505  -0.279   0.287
  263TRP    HB2 3648  -1.561  -0.379   0.425
  263TRP     CG 3649  -1.709  -0.347   0.275
  263TRP    CD1 3650  -1.761  -0.331   0.149
  263TRP    HD1 3651  -1.700  -0.327   0.059
  263TRP    NE1 3652  -1.898  -0.321   0.155
  263TRP    HE1 3653  -1.960  -0.314   0.080
  263TRP    CE2 3654  -1.938  -0.330   0.285
  263TRP    CD2 3655  -1.822  -0.344   0.365
  263TRP    CE3 3656  -1.834  -0.352   0.503
  263TRP    HE3 3657  -1.747  -0.365   0.566
  263TRP    CZ3 3658  -1.962  -0.348   0.559
  263TRP    HZ3 3659  -1.973  -0.358   0.667
  263TRP    CZ2 3660  -2.065  -0.328   0.341
  263TRP    HZ2 3661  -2.153  -0.322   0.279
  263TRP    CH2 3662  -2.076  -0.338   0.479
  263TRP    HH2 3663  -2.173  -0.341   0.526
  263TRP      C 3664  -1.475  -0.484   0.109
  263TRP      O 3665  -1.422  -0.384   0.061
  264ASN      N 3666  -1.517  -0.586   0.033
  264ASN     HN 3667  -1.555  -0.667   0.076
  264ASN     CA 3668  -1.509  -0.586  -0.112
  264ASN     HA 3669  -1.471  -0.492  -0.148
  264ASN     CB 3670  -1.408  -0.696  -0.159
  264ASN    HB1 3671  -1.432  -0.791  -0.108
  264ASN    HB2 3672  -1.307  -0.664  -0.125
  264ASN     CG 3673  -1.406  -0.723  -0.310
  264ASN    OD1 3674  -1.499  -0.701  -0.385
  264ASN    ND2 3675  -1.290  -0.779  -0.356
  264ASN   HD21 3676  -1.282  -0.796  -0.454
  264ASN   HD22 3677  -1.214  -0.794  -0.294
  264ASN      C 3678  -1.653  -0.608  -0.159
  264ASN      O 3679  -1.711  -0.711  -0.127
  265PRO      N 3680  -1.718  -0.517  -0.234
  265PRO     CD 3681  -1.673  -0.378  -0.247
  265PRO    HD1 3682  -1.603  -0.371  -0.333
  265PRO    HD2 3683  -1.621  -0.340  -0.156
  265PRO     CA 3684  -1.861  -0.530  -0.261
  265PRO     HA 3685  -1.912  -0.543  -0.167
  265PRO     CB 3686  -1.896  -0.399  -0.333
  265PRO    HB1 3687  -2.003  -0.372  -0.320
  265PRO    HB2 3688  -1.873  -0.407  -0.442
  265PRO     CG 3689  -1.801  -0.296  -0.272
  265PRO    HG1 3690  -1.781  -0.210  -0.339
  265PRO    HG2 3691  -1.840  -0.259  -0.175
  265PRO      C 3692  -1.895  -0.650  -0.349
  265PRO      O 3693  -2.003  -0.706  -0.332
  266TYR      N 3694  -1.806  -0.689  -0.442
  266TYR     HN 3695  -1.719  -0.638  -0.452
  266TYR     CA 3696  -1.822  -0.808  -0.525
  266TYR     HA 3697  -1.917  -0.799  -0.576
  266TYR     CB 3698  -1.707  -0.818  -0.629
  266TYR    HB1 3699  -1.612  -0.854  -0.582
  266TYR    HB2 3700  -1.686  -0.717  -0.668
  266TYR     CG 3701  -1.742  -0.909  -0.745
  266TYR    CD1 3702  -1.738  -1.050  -0.734
  266TYR    HD1 3703  -1.712  -1.095  -0.640
  266TYR    CE1 3704  -1.766  -1.131  -0.845
  266TYR    HE1 3705  -1.765  -1.238  -0.835
  266TYR     CZ 3706  -1.795  -1.073  -0.969
  266TYR     OH 3707  -1.820  -1.155  -1.081
  266TYR     HH 3708  -1.823  -1.245  -1.048
  266TYR    CD2 3709  -1.773  -0.853  -0.870
  266TYR    HD2 3710  -1.776  -0.746  -0.880
  266TYR    CE2 3711  -1.799  -0.934  -0.982
  266TYR    HE2 3712  -1.822  -0.889  -1.077
  266TYR      C 3713  -1.826  -0.933  -0.439
  266TYR      O 3714  -1.910  -1.021  -0.456
  267ARG      N 3715  -1.735  -0.940  -0.339
  267ARG     HN 3716  -1.675  -0.861  -0.324
  267ARG     CA 3717  -1.716  -1.053  -0.250
  267ARG     HA 3718  -1.708  -1.142  -0.309
  267ARG     CB 3719  -1.586  -1.030  -0.168
  267ARG    HB1 3720  -1.601  -0.945  -0.097
  267ARG    HB2 3721  -1.506  -1.000  -0.239
  267ARG     CG 3722  -1.536  -1.153  -0.089
  267ARG    HG1 3723  -1.519  -1.235  -0.161
  267ARG    HG2 3724  -1.615  -1.185  -0.018
  267ARG     CD 3725  -1.407  -1.126  -0.007
  267ARG    HD1 3726  -1.427  -1.050   0.072
  267ARG    HD2 3727  -1.325  -1.089  -0.073
  267ARG     NE 3728  -1.367  -1.258   0.051
  267ARG     HE 3729  -1.383  -1.342   0.002
  267ARG     CZ 3730  -1.310  -1.269   0.173
  267ARG    NH1 3731  -1.277  -1.171   0.248
  267ARG   HH11 3732  -1.240  -1.178   0.343
  267ARG   HH12 3733  -1.274  -1.073   0.222
  267ARG    NH2 3734  -1.290  -1.393   0.216
  267ARG   HH21 3735  -1.321  -1.469   0.164
  267ARG   HH22 3736  -1.247  -1.400   0.307
  267ARG      C 3737  -1.836  -1.071  -0.156
  267ARG      O 3738  -1.869  -1.181  -0.113
  268LEU      N 3739  -1.909  -0.961  -0.132
  268LEU     HN 3740  -1.878  -0.873  -0.167
  268LEU     CA 3741  -2.027  -0.958  -0.048
  268LEU     HA 3742  -2.025  -1.041   0.021
  268LEU     CB 3743  -2.028  -0.826   0.033
  268LEU    HB1 3744  -2.122  -0.816   0.090
  268LEU    HB2 3745  -2.022  -0.740  -0.038
  268LEU     CG 3746  -1.910  -0.816   0.132
  268LEU     HG 3747  -1.815  -0.837   0.079
  268LEU    CD1 3748  -1.897  -0.674   0.189
  268LEU   HD11 3749  -1.983  -0.647   0.253
  268LEU   HD12 3750  -1.889  -0.600   0.106
  268LEU   HD13 3751  -1.805  -0.665   0.250
  268LEU    CD2 3752  -1.924  -0.919   0.246
  268LEU   HD21 3753  -1.924  -1.022   0.207
  268LEU   HD22 3754  -2.017  -0.902   0.303
  268LEU   HD23 3755  -1.838  -0.910   0.316
  268LEU      C 3756  -2.155  -0.974  -0.129
  268LEU      O 3757  -2.266  -0.977  -0.078
  269GLY      N 3758  -2.141  -0.995  -0.262
  269GLY     HN 3759  -2.049  -0.986  -0.303
  269GLY     CA 3760  -2.247  -1.045  -0.348
  269GLY    HA1 3761  -2.328  -1.084  -0.288
  269GLY    HA2 3762  -2.203  -1.122  -0.411
  269GLY      C 3763  -2.308  -0.944  -0.440
  269GLY      O 3764  -2.398  -0.975  -0.516
  270ASN      N 3765  -2.261  -0.817  -0.437
  270ASN     HN 3766  -2.186  -0.792  -0.376
  270ASN     CA 3767  -2.308  -0.717  -0.530
  270ASN     HA 3768  -2.403  -0.749  -0.572
  270ASN     CB 3769  -2.332  -0.580  -0.461
  270ASN    HB1 3770  -2.234  -0.535  -0.432
  270ASN    HB2 3771  -2.391  -0.598  -0.368
  270ASN     CG 3772  -2.409  -0.484  -0.551
  270ASN    OD1 3773  -2.439  -0.510  -0.667
  270ASN    ND2 3774  -2.449  -0.368  -0.492
  270ASN   HD21 3775  -2.493  -0.300  -0.553
  270ASN   HD22 3776  -2.421  -0.349  -0.400
  270ASN      C 3777  -2.210  -0.706  -0.646
  270ASN      O 3778  -2.110  -0.635  -0.642
  271THR      N 3779  -2.240  -0.775  -0.757
  271THR     HN 3780  -2.321  -0.832  -0.762
  271THR     CA 3781  -2.145  -0.793  -0.867
  271THR     HA 3782  -2.044  -0.781  -0.831
  271THR     CB 3783  -2.160  -0.931  -0.929
  271THR     HB 3784  -2.089  -0.945  -1.014
  271THR    OG1 3785  -2.294  -0.955  -0.971
  271THR    HG1 3786  -2.312  -0.892  -1.041
  271THR    CG2 3787  -2.127  -1.036  -0.822
  271THR   HG21 3788  -2.202  -1.037  -0.741
  271THR   HG22 3789  -2.027  -1.017  -0.777
  271THR   HG23 3790  -2.126  -1.136  -0.870
  271THR      C 3791  -2.169  -0.691  -0.975
  271THR      O 3792  -2.109  -0.696  -1.084
  272SER      N 3793  -2.262  -0.597  -0.952
  272SER     HN 3794  -2.312  -0.600  -0.866
  272SER     CA 3795  -2.297  -0.494  -1.048
  272SER     HA 3796  -2.242  -0.506  -1.140
  272SER     CB 3797  -2.449  -0.496  -1.082
  272SER    HB1 3798  -2.475  -0.414  -1.151
  272SER    HB2 3799  -2.508  -0.482  -0.988
  272SER     OG 3800  -2.485  -0.621  -1.142
  272SER    HG1 3801  -2.434  -0.627  -1.224
  272SER      C 3802  -2.262  -0.357  -0.995
  272SER      O 3803  -2.286  -0.256  -1.061
  273PHE      N 3804  -2.204  -0.347  -0.873
  273PHE     HN 3805  -2.183  -0.429  -0.820
  273PHE     CA 3806  -2.165  -0.219  -0.817
  273PHE     HA 3807  -2.250  -0.153  -0.830
  273PHE     CB 3808  -2.136  -0.231  -0.665
  273PHE    HB1 3809  -2.051  -0.301  -0.646
  273PHE    HB2 3810  -2.225  -0.271  -0.613
  273PHE     CG 3811  -2.104  -0.097  -0.604
  273PHE    CD1 3812  -2.200   0.006  -0.609
  273PHE    HD1 3813  -2.296  -0.013  -0.655
  273PHE    CE1 3814  -2.172   0.132  -0.555
  273PHE    HE1 3815  -2.246   0.211  -0.560
  273PHE     CZ 3816  -2.049   0.156  -0.494
  273PHE     HZ 3817  -2.027   0.253  -0.453
  273PHE    CD2 3818  -1.980  -0.071  -0.543
  273PHE    HD2 3819  -1.905  -0.149  -0.539
  273PHE    CE2 3820  -1.952   0.054  -0.488
  273PHE    HE2 3821  -1.856   0.072  -0.442
  273PHE      C 3822  -2.049  -0.152  -0.890
  273PHE      O 3823  -2.050  -0.032  -0.918
  274TYR      N 3824  -1.945  -0.229  -0.924
  274TYR     HN 3825  -1.947  -0.328  -0.913
  274TYR     CA 3826  -1.818  -0.172  -0.962
  274TYR     HA 3827  -1.831  -0.073  -1.003
  274TYR     CB 3828  -1.726  -0.168  -0.837
  274TYR    HB1 3829  -1.714  -0.270  -0.795
  274TYR    HB2 3830  -1.776  -0.107  -0.758
  274TYR     CG 3831  -1.589  -0.111  -0.860
  274TYR    CD1 3832  -1.566   0.026  -0.839
  274TYR    HD1 3833  -1.648   0.090  -0.811
  274TYR    CE1 3834  -1.436   0.079  -0.846
  274TYR    HE1 3835  -1.419   0.184  -0.827
  274TYR     CZ 3836  -1.328  -0.005  -0.875
  274TYR     OH 3837  -1.198   0.046  -0.882
  274TYR     HH 3838  -1.139  -0.028  -0.900
  274TYR    CD2 3839  -1.479  -0.194  -0.891
  274TYR    HD2 3840  -1.494  -0.300  -0.905
  274TYR    CE2 3841  -1.350  -0.141  -0.899
  274TYR    HE2 3842  -1.266  -0.206  -0.921
  274TYR      C 3843  -1.761  -0.259  -1.071
  274TYR      O 3844  -1.764  -0.382  -1.061
  275GLY      N 3845  -1.711  -0.197  -1.179
  275GLY     HN 3846  -1.716  -0.098  -1.189
  275GLY     CA 3847  -1.655  -0.271  -1.291
  275GLY    HA1 3848  -1.710  -0.362  -1.306
  275GLY    HA2 3849  -1.550  -0.285  -1.268
  275GLY      C 3850  -1.664  -0.189  -1.418
  275GLY      O 3851  -1.712  -0.078  -1.416
  276PRO      N 3852  -1.617  -0.241  -1.531
  276PRO     CD 3853  -1.539  -0.365  -1.541
  276PRO    HD1 3854  -1.602  -0.441  -1.591
  276PRO    HD2 3855  -1.503  -0.405  -1.443
  276PRO     CA 3856  -1.594  -0.154  -1.647
  276PRO     HA 3857  -1.567  -0.055  -1.614
  276PRO     CB 3858  -1.478  -0.221  -1.724
  276PRO    HB1 3859  -1.401  -0.146  -1.752
  276PRO    HB2 3860  -1.512  -0.274  -1.815
  276PRO     CG 3861  -1.420  -0.326  -1.628
  276PRO    HG1 3862  -1.375  -0.412  -1.680
  276PRO    HG2 3863  -1.342  -0.278  -1.564
  276PRO      C 3864  -1.715  -0.144  -1.736
  276PRO      O 3865  -1.763  -0.245  -1.788
  277GLY      N 3866  -1.763  -0.021  -1.764
  277GLY     HN 3867  -1.726   0.062  -1.719
  277GLY     CA 3868  -1.875   0.002  -1.853
  277GLY    HA1 3869  -1.904  -0.090  -1.903
  277GLY    HA2 3870  -1.846   0.080  -1.922
  277GLY      C 3871  -1.995   0.051  -1.779
  277GLY      O 3872  -2.002   0.056  -1.656
  278SER      N 3873  -2.100   0.085  -1.854
  278SER     HN 3874  -2.098   0.075  -1.954
  278SER     CA 3875  -2.218   0.150  -1.800
  278SER     HA 3876  -2.191   0.208  -1.714
  278SER     CB 3877  -2.279   0.245  -1.906
  278SER    HB1 3878  -2.204   0.325  -1.925
  278SER    HB2 3879  -2.372   0.293  -1.869
  278SER     OG 3880  -2.303   0.176  -2.029
  278SER    HG1 3881  -2.379   0.119  -2.014
  278SER      C 3882  -2.323   0.049  -1.755
  278SER      O 3883  -2.439   0.081  -1.734
  279SER      N 3884  -2.280  -0.076  -1.735
  279SER     HN 3885  -2.186  -0.101  -1.758
  279SER     CA 3886  -2.357  -0.184  -1.678
  279SER     HA 3887  -2.463  -0.166  -1.692
  279SER     CB 3888  -2.316  -0.318  -1.745
  279SER    HB1 3889  -2.357  -0.319  -1.848
  279SER    HB2 3890  -2.359  -0.406  -1.691
  279SER     OG 3891  -2.174  -0.331  -1.753
  279SER    HG1 3892  -2.141  -0.359  -1.666
  279SER      C 3893  -2.333  -0.196  -1.530
  279SER      O 3894  -2.394  -0.279  -1.463
  280PHE      N 3895  -2.244  -0.109  -1.477
  280PHE     HN 3896  -2.199  -0.042  -1.535
  280PHE     CA 3897  -2.204  -0.105  -1.339
  280PHE     HA 3898  -2.258  -0.180  -1.283
  280PHE     CB 3899  -2.052  -0.127  -1.321
  280PHE    HB1 3900  -2.022  -0.119  -1.214
  280PHE    HB2 3901  -1.993  -0.051  -1.379
  280PHE     CG 3902  -2.015  -0.264  -1.371
  280PHE    CD1 3903  -2.010  -0.373  -1.283
  280PHE    HD1 3904  -2.034  -0.358  -1.179
  280PHE    CE1 3905  -1.970  -0.500  -1.327
  280PHE    HE1 3906  -1.963  -0.581  -1.257
  280PHE     CZ 3907  -1.935  -0.518  -1.462
  280PHE     HZ 3908  -1.903  -0.615  -1.496
  280PHE    CD2 3909  -1.978  -0.284  -1.505
  280PHE    HD2 3910  -1.977  -0.200  -1.573
  280PHE    CE2 3911  -1.939  -0.411  -1.551
  280PHE    HE2 3912  -1.911  -0.424  -1.654
  280PHE      C 3913  -2.243   0.029  -1.280
  280PHE      O 3914  -2.253   0.131  -1.350
  281THR      N 3915  -2.274   0.031  -1.150
  281THR     HN 3916  -2.271  -0.055  -1.097
  281THR     CA 3917  -2.312   0.150  -1.075
  281THR     HA 3918  -2.397   0.194  -1.124
  281THR     CB 3919  -2.349   0.117  -0.931
  281THR     HB 3920  -2.259   0.086  -0.873
  281THR    OG1 3921  -2.442   0.009  -0.925
  281THR    HG1 3922  -2.513   0.028  -0.989
  281THR    CG2 3923  -2.415   0.236  -0.861
  281THR   HG21 3924  -2.502   0.272  -0.919
  281THR   HG22 3925  -2.342   0.320  -0.850
  281THR   HG23 3926  -2.448   0.207  -0.759
  281THR      C 3927  -2.202   0.256  -1.075
  281THR      O 3928  -2.227   0.373  -1.100
  282LEU      N 3929  -2.077   0.212  -1.056
  282LEU     HN 3930  -2.061   0.116  -1.031
  282LEU     CA 3931  -1.958   0.292  -1.073
  282LEU     HA 3932  -1.983   0.394  -1.096
  282LEU     CB 3933  -1.867   0.287  -0.947
  282LEU    HB1 3934  -1.774   0.345  -0.965
  282LEU    HB2 3935  -1.838   0.181  -0.928
  282LEU     CG 3936  -1.930   0.343  -0.818
  282LEU     HG 3937  -2.024   0.287  -0.797
  282LEU    CD1 3938  -1.835   0.319  -0.700
  282LEU   HD11 3939  -1.739   0.372  -0.715
  282LEU   HD12 3940  -1.813   0.210  -0.689
  282LEU   HD13 3941  -1.881   0.354  -0.606
  282LEU    CD2 3942  -1.962   0.493  -0.830
  282LEU   HD21 3943  -2.039   0.510  -0.907
  282LEU   HD22 3944  -1.870   0.549  -0.856
  282LEU   HD23 3945  -1.999   0.530  -0.732
  282LEU      C 3946  -1.882   0.234  -1.191
  282LEU      O 3947  -1.841   0.118  -1.192
  283ASP      N 3948  -1.862   0.316  -1.296
  283ASP     HN 3949  -1.889   0.413  -1.291
  283ASP     CA 3950  -1.801   0.276  -1.421
  283ASP     HA 3951  -1.816   0.169  -1.436
  283ASP     CB 3952  -1.869   0.355  -1.536
  283ASP    HB1 3953  -1.863   0.463  -1.512
  283ASP    HB2 3954  -1.977   0.326  -1.538
  283ASP     CG 3955  -1.814   0.336  -1.676
  283ASP    OD1 3956  -1.707   0.270  -1.696
  283ASP    OD2 3957  -1.874   0.395  -1.768
  283ASP      C 3958  -1.651   0.301  -1.410
  283ASP      O 3959  -1.608   0.414  -1.386
  284THR      N 3960  -1.567   0.198  -1.424
  284THR     HN 3961  -1.602   0.105  -1.442
  284THR     CA 3962  -1.424   0.208  -1.395
  284THR     HA 3963  -1.408   0.284  -1.321
  284THR     CB 3964  -1.364   0.078  -1.342
  284THR     HB 3965  -1.255   0.087  -1.326
  284THR    OG1 3966  -1.388  -0.031  -1.430
  284THR    HG1 3967  -1.358  -0.110  -1.383
  284THR    CG2 3968  -1.430   0.044  -1.208
  284THR   HG21 3969  -1.541   0.041  -1.216
  284THR   HG22 3970  -1.402   0.119  -1.131
  284THR   HG23 3971  -1.396  -0.055  -1.171
  284THR      C 3972  -1.345   0.251  -1.517
  284THR      O 3973  -1.222   0.257  -1.515
  285THR      N 3974  -1.415   0.292  -1.625
  285THR     HN 3975  -1.515   0.283  -1.625
  285THR     CA 3976  -1.352   0.351  -1.742
  285THR     HA 3977  -1.251   0.316  -1.750
  285THR     CB 3978  -1.424   0.315  -1.873
  285THR     HB 3979  -1.363   0.352  -1.959
  285THR    OG1 3980  -1.556   0.371  -1.885
  285THR    HG1 3981  -1.610   0.327  -1.816
  285THR    CG2 3982  -1.435   0.162  -1.884
  285THR   HG21 3983  -1.501   0.121  -1.805
  285THR   HG22 3984  -1.335   0.115  -1.874
  285THR   HG23 3985  -1.478   0.134  -1.983
  285THR      C 3986  -1.348   0.502  -1.727
  285THR      O 3987  -1.300   0.574  -1.815
  286LYS      N 3988  -1.396   0.552  -1.612
  286LYS     HN 3989  -1.428   0.488  -1.541
  286LYS     CA 3990  -1.410   0.691  -1.580
  286LYS     HA 3991  -1.352   0.751  -1.648
  286LYS     CB 3992  -1.560   0.733  -1.583
  286LYS    HB1 3993  -1.571   0.839  -1.551
  286LYS    HB2 3994  -1.615   0.669  -1.510
  286LYS     CG 3995  -1.625   0.715  -1.722
  286LYS    HG1 3996  -1.603   0.611  -1.757
  286LYS    HG2 3997  -1.578   0.786  -1.793
  286LYS     CD 3998  -1.778   0.733  -1.720
  286LYS    HD1 3999  -1.801   0.832  -1.676
  286LYS    HD2 4000  -1.822   0.655  -1.652
  286LYS     CE 4001  -1.844   0.722  -1.859
  286LYS    HE1 4002  -1.806   0.804  -1.924
  286LYS    HE2 4003  -1.954   0.732  -1.849
  286LYS     NZ 4004  -1.814   0.592  -1.923
  286LYS    HZ1 4005  -1.847   0.514  -1.859
  286LYS    HZ2 4006  -1.712   0.575  -1.934
  286LYS    HZ3 4007  -1.864   0.578  -2.013
  286LYS      C 4008  -1.356   0.711  -1.440
  286LYS      O 4009  -1.362   0.624  -1.355
  287LYS      N 4010  -1.299   0.832  -1.414
  287LYS     HN 4011  -1.289   0.898  -1.487
  287LYS     CA 4012  -1.253   0.872  -1.283
  287LYS     HA 4013  -1.184   0.796  -1.248
  287LYS     CB 4014  -1.179   1.009  -1.293
  287LYS    HB1 4015  -1.253   1.089  -1.313
  287LYS    HB2 4016  -1.110   1.002  -1.380
  287LYS     CG 4017  -1.093   1.046  -1.170
  287LYS    HG1 4018  -1.015   0.967  -1.159
  287LYS    HG2 4019  -1.155   1.044  -1.078
  287LYS     CD 4020  -1.021   1.182  -1.180
  287LYS    HD1 4021  -0.957   1.182  -1.271
  287LYS    HD2 4022  -0.954   1.189  -1.092
  287LYS     CE 4023  -1.117   1.302  -1.184
  287LYS    HE1 4024  -1.196   1.291  -1.107
  287LYS    HE2 4025  -1.163   1.311  -1.284
  287LYS     NZ 4026  -1.044   1.427  -1.154
  287LYS    HZ1 4027  -0.953   1.427  -1.205
  287LYS    HZ2 4028  -1.030   1.433  -1.050
  287LYS    HZ3 4029  -1.100   1.509  -1.186
  287LYS      C 4030  -1.368   0.878  -1.182
  287LYS      O 4031  -1.481   0.911  -1.214
  288LEU      N 4032  -1.339   0.844  -1.055
  288LEU     HN 4033  -1.247   0.813  -1.029
  288LEU     CA 4034  -1.436   0.847  -0.949
  288LEU     HA 4035  -1.517   0.913  -0.975
  288LEU     CB 4036  -1.494   0.707  -0.913
  288LEU    HB1 4037  -1.548   0.667  -1.001
  288LEU    HB2 4038  -1.570   0.720  -0.832
  288LEU     CG 4039  -1.394   0.599  -0.865
  288LEU     HG 4040  -1.320   0.644  -0.794
  288LEU    CD1 4041  -1.469   0.490  -0.787
  288LEU   HD11 4042  -1.545   0.441  -0.851
  288LEU   HD12 4043  -1.520   0.534  -0.698
  288LEU   HD13 4044  -1.398   0.412  -0.751
  288LEU    CD2 4045  -1.316   0.535  -0.981
  288LEU   HD21 4046  -1.243   0.606  -1.025
  288LEU   HD22 4047  -1.385   0.503  -1.061
  288LEU   HD23 4048  -1.259   0.446  -0.946
  288LEU      C 4049  -1.370   0.907  -0.827
  288LEU      O 4050  -1.247   0.914  -0.817
  289THR      N 4051  -1.452   0.954  -0.733
  289THR     HN 4052  -1.551   0.954  -0.748
  289THR     CA 4053  -1.408   1.009  -0.607
  289THR     HA 4054  -1.301   1.020  -0.605
  289THR     CB 4055  -1.474   1.143  -0.574
  289THR     HB 4056  -1.583   1.127  -0.558
  289THR    OG1 4057  -1.457   1.236  -0.680
  289THR    HG1 4058  -1.361   1.256  -0.681
  289THR    CG2 4059  -1.413   1.208  -0.449
  289THR   HG21 4060  -1.304   1.222  -0.464
  289THR   HG22 4061  -1.429   1.146  -0.358
  289THR   HG23 4062  -1.460   1.307  -0.432
  289THR      C 4063  -1.447   0.908  -0.501
  289THR      O 4064  -1.555   0.853  -0.503
  290VAL      N 4065  -1.355   0.883  -0.406
  290VAL     HN 4066  -1.267   0.931  -0.407
  290VAL     CA 4067  -1.370   0.783  -0.302
  290VAL     HA 4068  -1.469   0.740  -0.304
  290VAL     CB 4069  -1.265   0.673  -0.316
  290VAL     HB 4070  -1.163   0.717  -0.307
  290VAL    CG1 4071  -1.284   0.566  -0.207
  290VAL   HG11 4072  -1.385   0.521  -0.213
  290VAL   HG12 4073  -1.268   0.607  -0.105
  290VAL   HG13 4074  -1.210   0.484  -0.222
  290VAL    CG2 4075  -1.275   0.608  -0.456
  290VAL   HG21 4076  -1.251   0.681  -0.536
  290VAL   HG22 4077  -1.376   0.568  -0.474
  290VAL   HG23 4078  -1.202   0.525  -0.464
  290VAL      C 4079  -1.353   0.857  -0.171
  290VAL      O 4080  -1.252   0.926  -0.150
  291VAL      N 4081  -1.452   0.850  -0.080
  291VAL     HN 4082  -1.535   0.797  -0.097
  291VAL     CA 4083  -1.448   0.921   0.046
  291VAL     HA 4084  -1.352   0.970   0.059
  291VAL     CB 4085  -1.557   1.027   0.060
  291VAL     HB 4086  -1.657   0.979   0.062
  291VAL    CG1 4087  -1.536   1.108   0.190
  291VAL   HG11 4088  -1.433   1.151   0.194
  291VAL   HG12 4089  -1.550   1.045   0.280
  291VAL   HG13 4090  -1.608   1.192   0.196
  291VAL    CG2 4091  -1.552   1.121  -0.063
  291VAL   HG21 4092  -1.582   1.066  -0.155
  291VAL   HG22 4093  -1.450   1.161  -0.077
  291VAL   HG23 4094  -1.622   1.206  -0.049
  291VAL      C 4095  -1.464   0.820   0.157
  291VAL      O 4096  -1.556   0.741   0.161
  292THR      N 4097  -1.368   0.820   0.252
  292THR     HN 4098  -1.295   0.888   0.250
  292THR     CA 4099  -1.365   0.722   0.361
  292THR     HA 4100  -1.453   0.659   0.358
  292THR     CB 4101  -1.242   0.634   0.356
  292THR     HB 4102  -1.150   0.691   0.383
  292THR    OG1 4103  -1.226   0.583   0.224
  292THR    HG1 4104  -1.208   0.662   0.170
  292THR    CG2 4105  -1.257   0.513   0.449
  292THR   HG21 4106  -1.347   0.453   0.423
  292THR   HG22 4107  -1.265   0.545   0.555
  292THR   HG23 4108  -1.168   0.447   0.440
  292THR      C 4109  -1.369   0.800   0.488
  292THR      O 4110  -1.290   0.895   0.506
  293GLN      N 4111  -1.462   0.769   0.579
  293GLN     HN 4112  -1.520   0.688   0.566
  293GLN     CA 4113  -1.489   0.848   0.698
  293GLN     HA 4114  -1.423   0.933   0.703
  293GLN     CB 4115  -1.638   0.894   0.702
  293GLN    HB1 4116  -1.651   0.964   0.787
  293GLN    HB2 4117  -1.702   0.805   0.721
  293GLN     CG 4118  -1.687   0.961   0.571
  293GLN    HG1 4119  -1.675   0.891   0.485
  293GLN    HG2 4120  -1.627   1.051   0.550
  293GLN     CD 4121  -1.836   0.998   0.576
  293GLN    OE1 4122  -1.926   0.913   0.581
  293GLN    NE2 4123  -1.865   1.130   0.574
  293GLN   HE21 4124  -1.789   1.196   0.567
  293GLN   HE22 4125  -1.959   1.158   0.593
  293GLN      C 4126  -1.464   0.758   0.818
  293GLN      O 4127  -1.510   0.647   0.823
  294PHE      N 4128  -1.387   0.810   0.918
  294PHE     HN 4129  -1.347   0.901   0.913
  294PHE     CA 4130  -1.354   0.732   1.036
  294PHE     HA 4131  -1.389   0.630   1.028
  294PHE     CB 4132  -1.202   0.734   1.063
  294PHE    HB1 4133  -1.177   0.682   1.158
  294PHE    HB2 4134  -1.166   0.839   1.069
  294PHE     CG 4135  -1.127   0.669   0.951
  294PHE    CD1 4136  -1.088   0.739   0.836
  294PHE    HD1 4137  -1.114   0.844   0.826
  294PHE    CE1 4138  -1.018   0.675   0.733
  294PHE    HE1 4139  -0.990   0.730   0.644
  294PHE     CZ 4140  -0.985   0.540   0.746
  294PHE     HZ 4141  -0.931   0.488   0.668
  294PHE    CD2 4142  -1.090   0.534   0.964
  294PHE    HD2 4143  -1.117   0.479   1.053
  294PHE    CE2 4144  -1.020   0.470   0.862
  294PHE    HE2 4145  -0.994   0.366   0.873
  294PHE      C 4146  -1.421   0.794   1.156
  294PHE      O 4147  -1.373   0.897   1.209
  295GLU      N 4148  -1.530   0.737   1.207
  295GLU     HN 4149  -1.564   0.649   1.172
  295GLU     CA 4150  -1.601   0.797   1.318
  295GLU     HA 4151  -1.586   0.904   1.312
  295GLU     CB 4152  -1.755   0.777   1.315
  295GLU    HB1 4153  -1.794   0.809   1.215
  295GLU    HB2 4154  -1.798   0.848   1.389
  295GLU     CG 4155  -1.807   0.636   1.346
  295GLU    HG1 4156  -1.736   0.580   1.411
  295GLU    HG2 4157  -1.819   0.576   1.253
  295GLU     CD 4158  -1.939   0.641   1.422
  295GLU    OE1 4159  -2.041   0.700   1.369
  295GLU    OE2 4160  -1.941   0.594   1.536
  295GLU      C 4161  -1.542   0.755   1.451
  295GLU      O 4162  -1.453   0.670   1.463
  296THR      N 4163  -1.589   0.817   1.560
  296THR     HN 4164  -1.666   0.880   1.554
  296THR     CA 4165  -1.525   0.810   1.691
  296THR     HA 4166  -1.418   0.809   1.674
  296THR     CB 4167  -1.555   0.932   1.777
  296THR     HB 4168  -1.514   0.920   1.880
  296THR    OG1 4169  -1.695   0.958   1.785
  296THR    HG1 4170  -1.704   1.051   1.806
  296THR    CG2 4171  -1.486   1.052   1.711
  296THR   HG21 4172  -1.528   1.072   1.610
  296THR   HG22 4173  -1.378   1.030   1.697
  296THR   HG23 4174  -1.497   1.144   1.772
  296THR      C 4175  -1.554   0.685   1.769
  296THR      O 4176  -1.489   0.658   1.870
  297SER      N 4177  -1.651   0.602   1.727
  297SER     HN 4178  -1.709   0.624   1.648
  297SER     CA 4179  -1.664   0.466   1.779
  297SER     HA 4180  -1.669   0.474   1.887
  297SER     CB 4181  -1.793   0.395   1.731
  297SER    HB1 4182  -1.880   0.458   1.761
  297SER    HB2 4183  -1.804   0.296   1.778
  297SER     OG 4184  -1.798   0.383   1.588
  297SER    HG1 4185  -1.857   0.454   1.557
  297SER      C 4186  -1.542   0.380   1.748
  297SER      O 4187  -1.483   0.318   1.836
  298GLY      N 4188  -1.497   0.388   1.620
  298GLY     HN 4189  -1.542   0.452   1.559
  298GLY     CA 4190  -1.394   0.307   1.558
  298GLY    HA1 4191  -1.365   0.225   1.622
  298GLY    HA2 4192  -1.312   0.372   1.531
  298GLY      C 4193  -1.445   0.247   1.430
  298GLY      O 4194  -1.373   0.174   1.362
  299ALA      N 4195  -1.571   0.276   1.393
  299ALA     HN 4196  -1.631   0.331   1.451
  299ALA     CA 4197  -1.632   0.233   1.270
  299ALA     HA 4198  -1.598   0.132   1.248
  299ALA     CB 4199  -1.786   0.230   1.282
  299ALA    HB1 4200  -1.826   0.332   1.300
  299ALA    HB2 4201  -1.816   0.166   1.367
  299ALA    HB3 4202  -1.833   0.190   1.190
  299ALA      C 4203  -1.593   0.318   1.151
  299ALA      O 4204  -1.557   0.437   1.164
  300ILE      N 4205  -1.599   0.259   1.031
  300ILE     HN 4206  -1.633   0.164   1.023
  300ILE     CA 4207  -1.555   0.321   0.908
  300ILE     HA 4208  -1.528   0.424   0.927
  300ILE     CB 4209  -1.434   0.250   0.847
  300ILE     HB 4210  -1.463   0.148   0.814
  300ILE    CG2 4211  -1.385   0.330   0.723
  300ILE   HG21 4212  -1.354   0.432   0.753
  300ILE   HG22 4213  -1.465   0.338   0.646
  300ILE   HG23 4214  -1.299   0.279   0.676
  300ILE    CG1 4215  -1.321   0.233   0.952
  300ILE   HG11 4216  -1.360   0.181   1.042
  300ILE   HG12 4217  -1.286   0.334   0.984
  300ILE     CD 4218  -1.202   0.150   0.902
  300ILE    HD1 4219  -1.152   0.199   0.816
  300ILE    HD2 4220  -1.235   0.049   0.870
  300ILE    HD3 4221  -1.126   0.138   0.983
  300ILE      C 4222  -1.674   0.322   0.813
  300ILE      O 4223  -1.738   0.223   0.785
  301ASN      N 4224  -1.707   0.443   0.760
  301ASN     HN 4225  -1.650   0.522   0.783
  301ASN     CA 4226  -1.810   0.460   0.660
  301ASN     HA 4227  -1.863   0.366   0.647
  301ASN     CB 4228  -1.912   0.572   0.695
  301ASN    HB1 4229  -1.992   0.579   0.619
  301ASN    HB2 4230  -1.860   0.669   0.700
  301ASN     CG 4231  -1.977   0.552   0.832
  301ASN    OD1 4232  -1.956   0.634   0.922
  301ASN    ND2 4233  -2.063   0.449   0.844
  301ASN   HD21 4234  -2.100   0.428   0.937
  301ASN   HD22 4235  -2.077   0.384   0.771
  301ASN      C 4236  -1.745   0.493   0.527
  301ASN      O 4237  -1.630   0.539   0.520
  302ARG      N 4238  -1.818   0.474   0.418
  302ARG     HN 4239  -1.911   0.438   0.422
  302ARG     CA 4240  -1.766   0.493   0.284
  302ARG     HA 4241  -1.690   0.570   0.286
  302ARG     CB 4242  -1.702   0.361   0.234
  302ARG    HB1 4243  -1.768   0.277   0.266
  302ARG    HB2 4244  -1.605   0.346   0.287
  302ARG     CG 4245  -1.680   0.343   0.081
  302ARG    HG1 4246  -1.778   0.350   0.030
  302ARG    HG2 4247  -1.645   0.239   0.064
  302ARG     CD 4248  -1.582   0.438   0.013
  302ARG    HD1 4249  -1.609   0.544   0.031
  302ARG    HD2 4250  -1.580   0.423  -0.097
  302ARG     NE 4251  -1.444   0.415   0.069
  302ARG     HE 4252  -1.406   0.478   0.135
  302ARG     CZ 4253  -1.361   0.322   0.023
  302ARG    NH1 4254  -1.389   0.232  -0.066
  302ARG   HH11 4255  -1.483   0.221  -0.101
  302ARG   HH12 4256  -1.324   0.162  -0.096
  302ARG    NH2 4257  -1.238   0.327   0.076
  302ARG   HH21 4258  -1.217   0.397   0.142
  302ARG   HH22 4259  -1.168   0.261   0.048
  302ARG      C 4260  -1.876   0.543   0.192
  302ARG      O 4261  -1.989   0.500   0.198
  303TYR      N 4262  -1.840   0.640   0.104
  303TYR     HN 4263  -1.749   0.679   0.104
  303TYR     CA 4264  -1.926   0.677  -0.006
  303TYR     HA 4265  -1.981   0.590  -0.038
  303TYR     CB 4266  -2.028   0.791   0.027
  303TYR    HB1 4267  -2.085   0.761   0.118
  303TYR    HB2 4268  -2.102   0.799  -0.055
  303TYR     CG 4269  -1.969   0.928   0.051
  303TYR    CD1 4270  -1.956   1.018  -0.056
  303TYR    HD1 4271  -1.979   0.986  -0.157
  303TYR    CE1 4272  -1.915   1.151  -0.034
  303TYR    HE1 4273  -1.905   1.219  -0.116
  303TYR     CZ 4274  -1.886   1.193   0.096
  303TYR     OH 4275  -1.848   1.327   0.119
  303TYR     HH 4276  -1.815   1.334   0.210
  303TYR    CD2 4277  -1.939   0.972   0.180
  303TYR    HD2 4278  -1.950   0.903   0.263
  303TYR    CE2 4279  -1.897   1.104   0.203
  303TYR    HE2 4280  -1.873   1.136   0.303
  303TYR      C 4281  -1.837   0.712  -0.123
  303TYR      O 4282  -1.714   0.733  -0.108
  304TYR      N 4283  -1.894   0.716  -0.242
  304TYR     HN 4284  -1.994   0.698  -0.250
  304TYR     CA 4285  -1.826   0.738  -0.366
  304TYR     HA 4286  -1.726   0.774  -0.348
  304TYR     CB 4287  -1.825   0.613  -0.459
  304TYR    HB1 4288  -1.759   0.631  -0.547
  304TYR    HB2 4289  -1.927   0.591  -0.497
  304TYR     CG 4290  -1.778   0.488  -0.388
  304TYR    CD1 4291  -1.864   0.415  -0.304
  304TYR    HD1 4292  -1.965   0.450  -0.287
  304TYR    CE1 4293  -1.819   0.298  -0.241
  304TYR    HE1 4294  -1.885   0.244  -0.173
  304TYR     CZ 4295  -1.691   0.250  -0.264
  304TYR     OH 4296  -1.638   0.139  -0.192
  304TYR     HH 4297  -1.602   0.074  -0.254
  304TYR    CD2 4298  -1.650   0.437  -0.413
  304TYR    HD2 4299  -1.583   0.488  -0.480
  304TYR    CE2 4300  -1.606   0.317  -0.352
  304TYR    HE2 4301  -1.507   0.279  -0.371
  304TYR      C 4302  -1.906   0.846  -0.436
  304TYR      O 4303  -2.025   0.862  -0.414
  305VAL      N 4304  -1.839   0.923  -0.524
  305VAL     HN 4305  -1.742   0.909  -0.540
  305VAL     CA 4306  -1.909   1.019  -0.608
  305VAL     HA 4307  -2.014   0.998  -0.608
  305VAL     CB 4308  -1.890   1.166  -0.567
  305VAL     HB 4309  -1.783   1.196  -0.580
  305VAL    CG1 4310  -1.977   1.258  -0.655
  305VAL   HG11 4311  -2.085   1.231  -0.645
  305VAL   HG12 4312  -1.948   1.251  -0.762
  305VAL   HG13 4313  -1.964   1.363  -0.623
  305VAL    CG2 4314  -1.926   1.184  -0.419
  305VAL   HG21 4315  -1.855   1.128  -0.354
  305VAL   HG22 4316  -2.029   1.148  -0.398
  305VAL   HG23 4317  -1.920   1.291  -0.390
  305VAL      C 4318  -1.859   0.997  -0.748
  305VAL      O 4319  -1.737   0.999  -0.774
  306GLN      N 4320  -1.948   0.975  -0.845
  306GLN     HN 4321  -2.046   0.966  -0.823
  306GLN     CA 4322  -1.909   0.973  -0.984
  306GLN     HA 4323  -1.817   1.028  -0.996
  306GLN     CB 4324  -1.886   0.831  -1.040
  306GLN    HB1 4325  -1.979   0.770  -1.028
  306GLN    HB2 4326  -1.808   0.783  -0.977
  306GLN     CG 4327  -1.840   0.830  -1.187
  306GLN    HG1 4328  -1.753   0.898  -1.200
  306GLN    HG2 4329  -1.922   0.866  -1.253
  306GLN     CD 4330  -1.802   0.690  -1.235
  306GLN    OE1 4331  -1.890   0.609  -1.269
  306GLN    NE2 4332  -1.671   0.660  -1.239
  306GLN   HE21 4333  -1.643   0.568  -1.270
  306GLN   HE22 4334  -1.602   0.728  -1.214
  306GLN      C 4335  -2.013   1.047  -1.065
  306GLN      O 4336  -2.132   1.022  -1.058
  307ASN      N 4337  -1.967   1.148  -1.142
  307ASN     HN 4338  -1.869   1.165  -1.140
  307ASN     CA 4339  -2.049   1.230  -1.229
  307ASN     HA 4340  -1.982   1.301  -1.274
  307ASN     CB 4341  -2.118   1.150  -1.344
  307ASN    HB1 4342  -2.176   1.219  -1.409
  307ASN    HB2 4343  -2.188   1.075  -1.301
  307ASN     CG 4344  -2.013   1.082  -1.431
  307ASN    OD1 4345  -1.898   1.124  -1.437
  307ASN    ND2 4346  -2.055   0.975  -1.501
  307ASN   HD21 4347  -1.984   0.918  -1.545
  307ASN   HD22 4348  -2.149   0.944  -1.495
  307ASN      C 4349  -2.149   1.317  -1.153
  307ASN      O 4350  -2.254   1.356  -1.205
  308GLY      N 4351  -2.114   1.350  -1.027
  308GLY     HN 4352  -2.029   1.313  -0.992
  308GLY     CA 4353  -2.192   1.436  -0.938
  308GLY    HA1 4354  -2.246   1.509  -0.996
  308GLY    HA2 4355  -2.122   1.478  -0.868
  308GLY      C 4356  -2.293   1.360  -0.857
  308GLY      O 4357  -2.365   1.417  -0.776
  309VAL      N 4358  -2.298   1.227  -0.877
  309VAL     HN 4359  -2.232   1.182  -0.937
  309VAL     CA 4360  -2.397   1.140  -0.820
  309VAL     HA 4361  -2.481   1.197  -0.782
  309VAL     CB 4362  -2.446   1.036  -0.920
  309VAL     HB 4363  -2.361   0.971  -0.952
  309VAL    CG1 4364  -2.555   0.948  -0.856
  309VAL   HG11 4365  -2.639   1.010  -0.819
  309VAL   HG12 4366  -2.515   0.886  -0.773
  309VAL   HG13 4367  -2.595   0.878  -0.932
  309VAL    CG2 4368  -2.502   1.106  -1.046
  309VAL   HG21 4369  -2.435   1.187  -1.082
  309VAL   HG22 4370  -2.603   1.147  -1.025
  309VAL   HG23 4371  -2.512   1.031  -1.127
  309VAL      C 4372  -2.330   1.070  -0.705
  309VAL      O 4373  -2.224   1.010  -0.720
  310THR      N 4374  -2.390   1.080  -0.585
  310THR     HN 4375  -2.478   1.125  -0.576
  310THR     CA 4376  -2.333   1.022  -0.464
  310THR     HA 4377  -2.227   1.010  -0.477
  310THR     CB 4378  -2.355   1.110  -0.343
  310THR     HB 4379  -2.464   1.127  -0.326
  310THR    OG1 4380  -2.293   1.237  -0.364
  310THR    HG1 4381  -2.316   1.262  -0.454
  310THR    CG2 4382  -2.292   1.050  -0.216
  310THR   HG21 4383  -2.186   1.024  -0.235
  310THR   HG22 4384  -2.346   0.959  -0.183
  310THR   HG23 4385  -2.296   1.123  -0.133
  310THR      C 4386  -2.393   0.885  -0.441
  310THR      O 4387  -2.513   0.865  -0.440
  311PHE      N 4388  -2.304   0.785  -0.421
  311PHE     HN 4389  -2.206   0.804  -0.422
  311PHE     CA 4390  -2.342   0.649  -0.391
  311PHE     HA 4391  -2.450   0.639  -0.384
  311PHE     CB 4392  -2.286   0.547  -0.494
  311PHE    HB1 4393  -2.318   0.444  -0.468
  311PHE    HB2 4394  -2.175   0.549  -0.495
  311PHE     CG 4395  -2.336   0.579  -0.632
  311PHE    CD1 4396  -2.458   0.528  -0.677
  311PHE    HD1 4397  -2.519   0.468  -0.611
  311PHE    CE1 4398  -2.502   0.551  -0.809
  311PHE    HE1 4399  -2.596   0.511  -0.842
  311PHE     CZ 4400  -2.421   0.624  -0.897
  311PHE     HZ 4401  -2.453   0.639  -0.999
  311PHE    CD2 4402  -2.257   0.654  -0.721
  311PHE    HD2 4403  -2.162   0.693  -0.688
  311PHE    CE2 4404  -2.299   0.676  -0.853
  311PHE    HE2 4405  -2.236   0.732  -0.921
  311PHE      C 4406  -2.283   0.618  -0.257
  311PHE      O 4407  -2.162   0.633  -0.236
  312GLN      N 4408  -2.364   0.575  -0.160
  312GLN     HN 4409  -2.461   0.563  -0.177
  312GLN     CA 4410  -2.314   0.516  -0.037
  312GLN     HA 4411  -2.235   0.578   0.002
  312GLN     CB 4412  -2.429   0.502   0.067
  312GLN    HB1 4413  -2.499   0.421   0.034
  312GLN    HB2 4414  -2.487   0.597   0.066
  312GLN     CG 4415  -2.385   0.475   0.213
  312GLN    HG1 4416  -2.324   0.382   0.217
  312GLN    HG2 4417  -2.476   0.459   0.274
  312GLN     CD 4418  -2.306   0.591   0.274
  312GLN    OE1 4419  -2.307   0.705   0.228
  312GLN    NE2 4420  -2.240   0.563   0.389
  312GLN   HE21 4421  -2.181   0.635   0.424
  312GLN   HE22 4422  -2.234   0.468   0.420
  312GLN      C 4423  -2.257   0.379  -0.071
  312GLN      O 4424  -2.300   0.317  -0.168
  313GLN      N 4425  -2.159   0.329   0.008
  313GLN     HN 4426  -2.118   0.385   0.079
  313GLN     CA 4427  -2.122   0.187   0.013
  313GLN     HA 4428  -2.056   0.169  -0.070
  313GLN     CB 4429  -2.045   0.162   0.146
  313GLN    HB1 4430  -2.115   0.180   0.231
  313GLN    HB2 4431  -1.965   0.238   0.154
  313GLN     CG 4432  -1.982   0.022   0.166
  313GLN    HG1 4433  -2.054  -0.058   0.142
  313GLN    HG2 4434  -1.952   0.009   0.272
  313GLN     CD 4435  -1.860   0.003   0.075
  313GLN    OE1 4436  -1.875  -0.005  -0.046
  313GLN    NE2 4437  -1.738  -0.002   0.134
  313GLN   HE21 4438  -1.661  -0.021   0.074
  313GLN   HE22 4439  -1.730  -0.007   0.233
  313GLN      C 4440  -2.244   0.094   0.004
  313GLN      O 4441  -2.340   0.118   0.075
  314PRO      N 4442  -2.251  -0.009  -0.083
  314PRO     CD 4443  -2.161  -0.034  -0.194
  314PRO    HD1 4444  -2.072  -0.091  -0.158
  314PRO    HD2 4445  -2.128   0.061  -0.243
  314PRO     CA 4446  -2.364  -0.100  -0.085
  314PRO     HA 4447  -2.451  -0.040  -0.109
  314PRO     CB 4448  -2.331  -0.201  -0.195
  314PRO    HB1 4449  -2.422  -0.241  -0.243
  314PRO    HB2 4450  -2.270  -0.286  -0.154
  314PRO     CG 4451  -2.243  -0.120  -0.290
  314PRO    HG1 4452  -2.179  -0.184  -0.354
  314PRO    HG2 4453  -2.306  -0.054  -0.354
  314PRO      C 4454  -2.392  -0.167   0.047
  314PRO      O 4455  -2.299  -0.198   0.121
  315ASN      N 4456  -2.520  -0.194   0.078
  315ASN     HN 4457  -2.594  -0.158   0.024
  315ASN     CA 4458  -2.554  -0.289   0.181
  315ASN     HA 4459  -2.500  -0.259   0.270
  315ASN     CB 4460  -2.706  -0.296   0.211
  315ASN    HB1 4461  -2.730  -0.388   0.267
  315ASN    HB2 4462  -2.763  -0.298   0.116
  315ASN     CG 4463  -2.748  -0.174   0.292
  315ASN    OD1 4464  -2.734  -0.058   0.252
  315ASN    ND2 4465  -2.806  -0.199   0.411
  315ASN   HD21 4466  -2.835  -0.124   0.470
  315ASN   HD22 4467  -2.832  -0.293   0.436
  315ASN      C 4468  -2.503  -0.428   0.147
  315ASN      O 4469  -2.507  -0.471   0.030
  316ALA      N 4470  -2.455  -0.496   0.250
  316ALA     HN 4471  -2.450  -0.455   0.341
  316ALA     CA 4472  -2.411  -0.632   0.246
  316ALA     HA 4473  -2.435  -0.678   0.151
  316ALA     CB 4474  -2.260  -0.638   0.274
  316ALA    HB1 4475  -2.235  -0.588   0.370
  316ALA    HB2 4476  -2.204  -0.586   0.193
  316ALA    HB3 4477  -2.223  -0.743   0.279
  316ALA      C 4478  -2.489  -0.700   0.356
  316ALA      O 4479  -2.507  -0.647   0.463
  317GLU      N 4480  -2.540  -0.822   0.326
  317GLU     HN 4481  -2.529  -0.863   0.237
  317GLU     CA 4482  -2.610  -0.900   0.425
  317GLU     HA 4483  -2.613  -0.849   0.521
  317GLU     CB 4484  -2.755  -0.934   0.382
  317GLU    HB1 4485  -2.803  -0.988   0.468
  317GLU    HB2 4486  -2.754  -1.001   0.294
  317GLU     CG 4487  -2.837  -0.807   0.348
  317GLU    HG1 4488  -2.807  -0.767   0.249
  317GLU    HG2 4489  -2.816  -0.729   0.425
  317GLU     CD 4490  -2.988  -0.831   0.349
  317GLU    OE1 4491  -3.040  -0.859   0.458
  317GLU    OE2 4492  -3.053  -0.812   0.241
  317GLU      C 4493  -2.527  -1.024   0.443
  317GLU      O 4494  -2.507  -1.103   0.348
  318LEU      N 4495  -2.470  -1.042   0.562
  318LEU     HN 4496  -2.495  -0.981   0.638
  318LEU     CA 4497  -2.371  -1.142   0.588
  318LEU     HA 4498  -2.380  -1.223   0.517
  318LEU     CB 4499  -2.230  -1.077   0.578
  318LEU    HB1 4500  -2.220  -0.999   0.658
  318LEU    HB2 4501  -2.225  -1.024   0.481
  318LEU     CG 4502  -2.109  -1.172   0.584
  318LEU     HG 4503  -2.113  -1.230   0.679
  318LEU    CD1 4504  -2.108  -1.270   0.467
  318LEU   HD11 4505  -2.107  -1.215   0.370
  318LEU   HD12 4506  -2.197  -1.337   0.468
  318LEU   HD13 4507  -2.017  -1.334   0.472
  318LEU    CD2 4508  -1.980  -1.090   0.585
  318LEU   HD21 4509  -1.969  -1.032   0.679
  318LEU   HD22 4510  -1.978  -1.018   0.500
  318LEU   HD23 4511  -1.891  -1.156   0.574
  318LEU      C 4512  -2.400  -1.195   0.727
  318LEU      O 4513  -2.394  -1.123   0.825
  319GLY      N 4514  -2.437  -1.325   0.740
  319GLY     HN 4515  -2.440  -1.384   0.660
  319GLY     CA 4516  -2.472  -1.382   0.870
  319GLY    HA1 4517  -2.386  -1.372   0.934
  319GLY    HA2 4518  -2.497  -1.486   0.852
  319GLY      C 4519  -2.591  -1.319   0.939
  319GLY      O 4520  -2.705  -1.327   0.895
  320SER      N 4521  -2.568  -1.257   1.057
  320SER     HN 4522  -2.476  -1.258   1.095
  320SER     CA 4523  -2.669  -1.183   1.130
  320SER     HA 4524  -2.768  -1.209   1.095
  320SER     CB 4525  -2.661  -1.212   1.283
  320SER    HB1 4526  -2.681  -1.320   1.296
  320SER    HB2 4527  -2.740  -1.156   1.339
  320SER     OG 4528  -2.532  -1.185   1.339
  320SER    HG1 4529  -2.509  -1.094   1.316
  320SER      C 4530  -2.656  -1.033   1.112
  320SER      O 4531  -2.729  -0.955   1.171
  321TYR      N 4532  -2.559  -0.992   1.027
  321TYR     HN 4533  -2.506  -1.058   0.974
  321TYR     CA 4534  -2.532  -0.855   0.994
  321TYR     HA 4535  -2.568  -0.791   1.074
  321TYR     CB 4536  -2.378  -0.831   0.980
  321TYR    HB1 4537  -2.335  -0.905   0.910
  321TYR    HB2 4538  -2.329  -0.846   1.079
  321TYR     CG 4539  -2.343  -0.694   0.929
  321TYR    CD1 4540  -2.327  -0.670   0.791
  321TYR    HD1 4541  -2.337  -0.752   0.721
  321TYR    CE1 4542  -2.303  -0.540   0.744
  321TYR    HE1 4543  -2.293  -0.522   0.638
  321TYR     CZ 4544  -2.292  -0.435   0.835
  321TYR     OH 4545  -2.270  -0.301   0.795
  321TYR     HH 4546  -2.209  -0.264   0.859
  321TYR    CD2 4547  -2.328  -0.588   1.019
  321TYR    HD2 4548  -2.338  -0.605   1.125
  321TYR    CE2 4549  -2.301  -0.459   0.972
  321TYR    HE2 4550  -2.289  -0.378   1.042
  321TYR      C 4551  -2.610  -0.812   0.870
  321TYR      O 4552  -2.629  -0.889   0.774
  322SER      N 4553  -2.654  -0.687   0.868
  322SER     HN 4554  -2.632  -0.627   0.944
  322SER     CA 4555  -2.707  -0.620   0.751
  322SER     HA 4556  -2.659  -0.658   0.662
  322SER     CB 4557  -2.861  -0.629   0.739
  322SER    HB1 4558  -2.910  -0.580   0.826
  322SER    HB2 4559  -2.891  -0.736   0.739
  322SER     OG 4560  -2.907  -0.568   0.618
  322SER    HG1 4561  -2.932  -0.641   0.559
  322SER      C 4562  -2.666  -0.476   0.774
  322SER      O 4563  -2.669  -0.428   0.885
  323GLY      N 4564  -2.621  -0.408   0.665
  323GLY     HN 4565  -2.607  -0.456   0.579
  323GLY     CA 4566  -2.578  -0.269   0.673
  323GLY    HA1 4567  -2.533  -0.250   0.769
  323GLY    HA2 4568  -2.663  -0.206   0.651
  323GLY      C 4569  -2.474  -0.240   0.569
  323GLY      O 4570  -2.440  -0.326   0.486
  324ASN      N 4571  -2.423  -0.116   0.567
  324ASN     HN 4572  -2.457  -0.048   0.632
  324ASN     CA 4573  -2.320  -0.069   0.475
  324ASN     HA 4574  -2.280  -0.153   0.419
  324ASN     CB 4575  -2.383   0.030   0.374
  324ASN    HB1 4576  -2.454  -0.027   0.311
  324ASN    HB2 4577  -2.304   0.071   0.308
  324ASN     CG 4578  -2.458   0.147   0.438
  324ASN    OD1 4579  -2.446   0.184   0.556
  324ASN    ND2 4580  -2.547   0.209   0.357
  324ASN   HD21 4581  -2.554   0.177   0.263
  324ASN   HD22 4582  -2.605   0.279   0.397
  324ASN      C 4583  -2.203  -0.005   0.547
  324ASN      O 4584  -2.129   0.079   0.491
  325GLU      N 4585  -2.183  -0.039   0.674
  325GLU     HN 4586  -2.236  -0.116   0.712
  325GLU     CA 4587  -2.086   0.022   0.762
  325GLU     HA 4588  -2.027   0.094   0.708
  325GLU     CB 4589  -2.157   0.091   0.881
  325GLU    HB1 4590  -2.229   0.019   0.924
  325GLU    HB2 4591  -2.216   0.176   0.839
  325GLU     CG 4592  -2.066   0.142   0.996
  325GLU    HG1 4593  -1.990   0.214   0.959
  325GLU    HG2 4594  -2.012   0.058   1.042
  325GLU     CD 4595  -2.150   0.210   1.104
  325GLU    OE1 4596  -2.157   0.154   1.216
  325GLU    OE2 4597  -2.214   0.316   1.075
  325GLU      C 4598  -1.990  -0.084   0.814
  325GLU      O 4599  -2.032  -0.183   0.871
  326LEU      N 4600  -1.858  -0.061   0.794
  326LEU     HN 4601  -1.824   0.022   0.752
  326LEU     CA 4602  -1.755  -0.149   0.846
  326LEU     HA 4603  -1.786  -0.252   0.830
  326LEU     CB 4604  -1.622  -0.125   0.771
  326LEU    HB1 4605  -1.576  -0.029   0.803
  326LEU    HB2 4606  -1.648  -0.114   0.663
  326LEU     CG 4607  -1.517  -0.238   0.777
  326LEU     HG 4608  -1.567  -0.335   0.753
  326LEU    CD1 4609  -1.410  -0.215   0.668
  326LEU   HD11 4610  -1.353  -0.122   0.687
  326LEU   HD12 4611  -1.457  -0.208   0.567
  326LEU   HD13 4612  -1.339  -0.300   0.666
  326LEU    CD2 4613  -1.448  -0.253   0.914
  326LEU   HD21 4614  -1.520  -0.282   0.992
  326LEU   HD22 4615  -1.398  -0.158   0.943
  326LEU   HD23 4616  -1.371  -0.333   0.907
  326LEU      C 4617  -1.745  -0.123   0.996
  326LEU      O 4618  -1.704  -0.016   1.042
  327ASN      N 4619  -1.787  -0.222   1.076
  327ASN     HN 4620  -1.818  -0.308   1.037
  327ASN     CA 4621  -1.801  -0.209   1.219
  327ASN     HA 4622  -1.723  -0.145   1.255
  327ASN     CB 4623  -1.939  -0.148   1.262
  327ASN    HB1 4624  -1.943  -0.044   1.222
  327ASN    HB2 4625  -1.945  -0.142   1.372
  327ASN     CG 4626  -2.062  -0.224   1.212
  327ASN    OD1 4627  -2.059  -0.341   1.176
  327ASN    ND2 4628  -2.177  -0.152   1.214
  327ASN   HD21 4629  -2.175  -0.055   1.234
  327ASN   HD22 4630  -2.261  -0.200   1.186
  327ASN      C 4631  -1.775  -0.346   1.279
  327ASN      O 4632  -1.757  -0.445   1.207
  328ASP      N 4633  -1.770  -0.358   1.413
  328ASP     HN 4634  -1.779  -0.279   1.473
  328ASP     CA 4635  -1.741  -0.483   1.481
  328ASP     HA 4636  -1.644  -0.517   1.446
  328ASP     CB 4637  -1.735  -0.461   1.635
  328ASP    HB1 4638  -1.719  -0.559   1.686
  328ASP    HB2 4639  -1.831  -0.418   1.670
  328ASP     CG 4640  -1.622  -0.368   1.677
  328ASP    OD1 4641  -1.504  -0.414   1.681
  328ASP    OD2 4642  -1.653  -0.250   1.706
  328ASP      C 4643  -1.841  -0.594   1.448
  328ASP      O 4644  -1.801  -0.711   1.432
  329ASP      N 4645  -1.972  -0.561   1.434
  329ASP     HN 4646  -2.002  -0.468   1.449
  329ASP     CA 4647  -2.076  -0.654   1.393
  329ASP     HA 4648  -2.073  -0.737   1.462
  329ASP     CB 4649  -2.220  -0.590   1.397
  329ASP    HB1 4650  -2.292  -0.662   1.352
  329ASP    HB2 4651  -2.221  -0.497   1.337
  329ASP     CG 4652  -2.276  -0.559   1.536
  329ASP    OD1 4653  -2.211  -0.596   1.638
  329ASP    OD2 4654  -2.389  -0.504   1.543
  329ASP      C 4655  -2.050  -0.712   1.255
  329ASP      O 4656  -2.065  -0.835   1.236
  330TYR      N 4657  -2.009  -0.632   1.155
  330TYR     HN 4658  -2.001  -0.532   1.170
  330TYR     CA 4659  -1.967  -0.678   1.023
  330TYR     HA 4660  -2.049  -0.736   0.981
  330TYR     CB 4661  -1.938  -0.558   0.927
  330TYR    HB1 4662  -1.870  -0.487   0.977
  330TYR    HB2 4663  -2.032  -0.503   0.904
  330TYR     CG 4664  -1.875  -0.600   0.796
  330TYR    CD1 4665  -1.949  -0.670   0.699
  330TYR    HD1 4666  -2.054  -0.688   0.715
  330TYR    CE1 4667  -1.887  -0.720   0.584
  330TYR    HE1 4668  -1.944  -0.776   0.511
  330TYR     CZ 4669  -1.750  -0.703   0.565
  330TYR     OH 4670  -1.687  -0.758   0.452
  330TYR     HH 4671  -1.592  -0.771   0.469
  330TYR    CD2 4672  -1.738  -0.579   0.773
  330TYR    HD2 4673  -1.678  -0.527   0.846
  330TYR    CE2 4674  -1.675  -0.631   0.659
  330TYR    HE2 4675  -1.568  -0.620   0.644
  330TYR      C 4676  -1.849  -0.774   1.029
  330TYR      O 4677  -1.853  -0.883   0.974
  331CYS      N 4678  -1.742  -0.736   1.102
  331CYS     HN 4679  -1.742  -0.648   1.148
  331CYS     CA 4680  -1.619  -0.815   1.108
  331CYS     HA 4681  -1.591  -0.840   1.007
  331CYS     CB 4682  -1.506  -0.734   1.175
  331CYS    HB1 4683  -1.413  -0.795   1.176
  331CYS    HB2 4684  -1.535  -0.710   1.280
  331CYS     SG 4685  -1.474  -0.579   1.087
  331CYS      C 4686  -1.638  -0.945   1.181
  331CYS      O 4687  -1.584  -1.051   1.141
  332THR      N 4688  -1.718  -0.946   1.287
  332THR     HN 4689  -1.761  -0.859   1.315
  332THR     CA 4690  -1.757  -1.067   1.360
  332THR     HA 4691  -1.666  -1.118   1.390
  332THR     CB 4692  -1.841  -1.035   1.484
  332THR     HB 4693  -1.936  -0.985   1.454
  332THR    OG1 4694  -1.771  -0.947   1.572
  332THR    HG1 4695  -1.764  -0.863   1.523
  332THR    CG2 4696  -1.872  -1.163   1.564
  332THR   HG21 4697  -1.777  -1.211   1.595
  332THR   HG22 4698  -1.929  -1.235   1.503
  332THR   HG23 4699  -1.930  -1.138   1.655
  332THR      C 4700  -1.837  -1.161   1.272
  332THR      O 4701  -1.816  -1.284   1.271
  333ALA      N 4702  -1.931  -1.107   1.194
  333ALA     HN 4703  -1.946  -1.008   1.193
  333ALA     CA 4704  -2.007  -1.182   1.095
  333ALA     HA 4705  -2.053  -1.265   1.145
  333ALA     CB 4706  -2.116  -1.092   1.033
  333ALA    HB1 4707  -2.071  -1.005   0.980
  333ALA    HB2 4708  -2.183  -1.052   1.113
  333ALA    HB3 4709  -2.177  -1.149   0.960
  333ALA      C 4710  -1.921  -1.237   0.984
  333ALA      O 4711  -1.937  -1.357   0.946
  334GLU      N 4712  -1.826  -1.161   0.931
  334GLU     HN 4713  -1.816  -1.064   0.959
  334GLU     CA 4714  -1.736  -1.202   0.826
  334GLU     HA 4715  -1.795  -1.236   0.743
  334GLU     CB 4716  -1.650  -1.083   0.780
  334GLU    HB1 4717  -1.584  -1.048   0.861
  334GLU    HB2 4718  -1.717  -0.998   0.753
  334GLU     CG 4719  -1.565  -1.119   0.655
  334GLU    HG1 4720  -1.633  -1.148   0.573
  334GLU    HG2 4721  -1.494  -1.201   0.674
  334GLU     CD 4722  -1.485  -0.999   0.606
  334GLU    OE1 4723  -1.466  -0.903   0.680
  334GLU    OE2 4724  -1.446  -1.010   0.484
  334GLU      C 4725  -1.648  -1.320   0.865
  334GLU      O 4726  -1.639  -1.419   0.794
  335GLU      N 4727  -1.589  -1.316   0.987
  335GLU     HN 4728  -1.594  -1.233   1.042
  335GLU     CA 4729  -1.513  -1.428   1.043
  335GLU     HA 4730  -1.435  -1.453   0.972
  335GLU     CB 4731  -1.448  -1.390   1.178
  335GLU    HB1 4732  -1.406  -1.482   1.225
  335GLU    HB2 4733  -1.526  -1.348   1.246
  335GLU     CG 4734  -1.330  -1.288   1.168
  335GLU    HG1 4735  -1.367  -1.193   1.126
  335GLU    HG2 4736  -1.252  -1.327   1.101
  335GLU     CD 4737  -1.271  -1.260   1.307
  335GLU    OE1 4738  -1.346  -1.257   1.404
  335GLU    OE2 4739  -1.144  -1.242   1.319
  335GLU      C 4740  -1.599  -1.553   1.062
  335GLU      O 4741  -1.554  -1.668   1.045
  336ALA      N 4742  -1.725  -1.539   1.103
  336ALA     HN 4743  -1.762  -1.447   1.119
  336ALA     CA 4744  -1.818  -1.651   1.110
  336ALA     HA 4745  -1.771  -1.729   1.167
  336ALA     CB 4746  -1.946  -1.607   1.184
  336ALA    HB1 4747  -2.002  -1.532   1.123
  336ALA    HB2 4748  -1.920  -1.560   1.281
  336ALA    HB3 4749  -2.012  -1.694   1.202
  336ALA      C 4750  -1.853  -1.713   0.976
  336ALA      O 4751  -1.860  -1.838   0.966
  337GLU      N 4752  -1.876  -1.634   0.872
  337GLU     HN 4753  -1.869  -1.534   0.883
  337GLU     CA 4754  -1.927  -1.680   0.744
  337GLU     HA 4755  -1.989  -1.767   0.761
  337GLU     CB 4756  -2.013  -1.570   0.678
  337GLU    HB1 4757  -2.039  -1.598   0.574
  337GLU    HB2 4758  -1.953  -1.476   0.674
  337GLU     CG 4759  -2.146  -1.540   0.753
  337GLU    HG1 4760  -2.194  -1.453   0.705
  337GLU    HG2 4761  -2.125  -1.513   0.859
  337GLU     CD 4762  -2.247  -1.655   0.753
  337GLU    OE1 4763  -2.296  -1.689   0.640
  337GLU    OE2 4764  -2.281  -1.709   0.860
  337GLU      C 4765  -1.816  -1.721   0.649
  337GLU      O 4766  -1.829  -1.825   0.580
  338PHE      N 4767  -1.706  -1.646   0.642
  338PHE     HN 4768  -1.696  -1.562   0.699
  338PHE     CA 4769  -1.595  -1.668   0.549
  338PHE     HA 4770  -1.625  -1.737   0.471
  338PHE     CB 4771  -1.544  -1.535   0.486
  338PHE    HB1 4772  -1.459  -1.557   0.418
  338PHE    HB2 4773  -1.509  -1.466   0.566
  338PHE     CG 4774  -1.644  -1.458   0.401
  338PHE    CD1 4775  -1.766  -1.511   0.356
  338PHE    HD1 4776  -1.796  -1.610   0.384
  338PHE    CE1 4777  -1.850  -1.435   0.273
  338PHE    HE1 4778  -1.945  -1.476   0.241
  338PHE     CZ 4779  -1.812  -1.306   0.234
  338PHE     HZ 4780  -1.876  -1.248   0.169
  338PHE    CD2 4781  -1.608  -1.328   0.362
  338PHE    HD2 4782  -1.515  -1.285   0.397
  338PHE    CE2 4783  -1.691  -1.253   0.278
  338PHE    HE2 4784  -1.661  -1.153   0.251
  338PHE      C 4785  -1.478  -1.730   0.621
  338PHE      O 4786  -1.375  -1.764   0.558
  339GLY      N 4787  -1.487  -1.753   0.752
  339GLY     HN 4788  -1.566  -1.717   0.803
  339GLY     CA 4789  -1.380  -1.811   0.831
  339GLY    HA1 4790  -1.336  -1.892   0.774
  339GLY    HA2 4791  -1.423  -1.844   0.924
  339GLY      C 4792  -1.268  -1.718   0.865
  339GLY      O 4793  -1.260  -1.603   0.822
  340GLY      N 4794  -1.175  -1.769   0.948
  340GLY     HN 4795  -1.192  -1.860   0.986
  340GLY     CA 4796  -1.063  -1.694   1.001
  340GLY    HA1 4797  -1.044  -1.606   0.941
  340GLY    HA2 4798  -0.979  -1.761   1.006
  340GLY      C 4799  -1.088  -1.648   1.142
  340GLY      O 4800  -1.190  -1.678   1.205
  341SER      N 4801  -0.989  -1.578   1.197
  341SER     HN 4802  -0.909  -1.555   1.142
  341SER     CA 4803  -0.995  -1.529   1.333
  341SER     HA 4804  -1.088  -1.475   1.345
  341SER     CB 4805  -0.985  -1.642   1.441
  341SER    HB1 4806  -1.069  -1.712   1.423
  341SER    HB2 4807  -0.997  -1.597   1.542
  341SER     OG 4808  -0.863  -1.717   1.437
  341SER    HG1 4809  -0.791  -1.652   1.443
  341SER      C 4810  -0.884  -1.431   1.362
  341SER      O 4811  -0.873  -1.378   1.472
  342SER      N 4812  -0.795  -1.403   1.265
  342SER     HN 4813  -0.802  -1.438   1.171
  342SER     CA 4814  -0.680  -1.317   1.282
  342SER     HA 4815  -0.625  -1.357   1.366
  342SER     CB 4816  -0.586  -1.324   1.160
  342SER    HB1 4817  -0.539  -1.425   1.161
  342SER    HB2 4818  -0.505  -1.248   1.165
  342SER     OG 4819  -0.658  -1.311   1.038
  342SER    HG1 4820  -0.655  -1.215   1.015
  342SER      C 4821  -0.714  -1.174   1.322
  342SER      O 4822  -0.646  -1.117   1.408
  343PHE      N 4823  -0.821  -1.115   1.265
  343PHE     HN 4824  -0.875  -1.163   1.196
  343PHE     CA 4825  -0.869  -0.982   1.300
  343PHE     HA 4826  -0.786  -0.914   1.289
  343PHE     CB 4827  -0.984  -0.940   1.203
  343PHE    HB1 4828  -1.071  -1.007   1.214
  343PHE    HB2 4829  -0.946  -0.950   1.099
  343PHE     CG 4830  -1.028  -0.796   1.221
  343PHE    CD1 4831  -0.956  -0.693   1.159
  343PHE    HD1 4832  -0.866  -0.718   1.104
  343PHE    CE1 4833  -0.999  -0.560   1.164
  343PHE    HE1 4834  -0.943  -0.484   1.113
  343PHE     CZ 4835  -1.117  -0.529   1.232
  343PHE     HZ 4836  -1.152  -0.427   1.232
  343PHE    CD2 4837  -1.148  -0.763   1.288
  343PHE    HD2 4838  -1.207  -0.842   1.332
  343PHE    CE2 4839  -1.192  -0.630   1.293
  343PHE    HE2 4840  -1.285  -0.605   1.341
  343PHE      C 4841  -0.913  -0.973   1.446
  343PHE      O 4842  -0.874  -0.883   1.522
  344SER      N 4843  -0.993  -1.071   1.493
  344SER     HN 4844  -1.027  -1.142   1.429
  344SER     CA 4845  -1.036  -1.081   1.632
  344SER     HA 4846  -1.071  -0.982   1.659
  344SER     CB 4847  -1.155  -1.176   1.655
  344SER    HB1 4848  -1.242  -1.137   1.597
  344SER    HB2 4849  -1.184  -1.177   1.762
  344SER     OG 4850  -1.129  -1.309   1.611
  344SER    HG1 4851  -1.137  -1.303   1.513
  344SER      C 4852  -0.925  -1.112   1.731
  344SER      O 4853  -0.923  -1.057   1.842
  345ASP      N 4854  -0.827  -1.198   1.692
  345ASP     HN 4855  -0.838  -1.245   1.603
  345ASP     CA 4856  -0.707  -1.233   1.767
  345ASP     HA 4857  -0.739  -1.275   1.862
  345ASP     CB 4858  -0.617  -1.337   1.691
  345ASP    HB1 4859  -0.520  -1.346   1.744
  345ASP    HB2 4860  -0.598  -1.298   1.589
  345ASP     CG 4861  -0.671  -1.479   1.680
  345ASP    OD1 4862  -0.764  -1.519   1.753
  345ASP    OD2 4863  -0.605  -1.558   1.604
  345ASP      C 4864  -0.622  -1.110   1.798
  345ASP      O 4865  -0.565  -1.095   1.907
  346LYS      N 4866  -0.613  -1.016   1.702
  346LYS     HN 4867  -0.658  -1.031   1.614
  346LYS     CA 4868  -0.534  -0.894   1.715
  346LYS     HA 4869  -0.456  -0.909   1.788
  346LYS     CB 4870  -0.464  -0.858   1.581
  346LYS    HB1 4871  -0.444  -0.749   1.574
  346LYS    HB2 4872  -0.533  -0.883   1.497
  346LYS     CG 4873  -0.329  -0.928   1.560
  346LYS    HG1 4874  -0.259  -0.892   1.639
  346LYS    HG2 4875  -0.288  -0.894   1.462
  346LYS     CD 4876  -0.333  -1.082   1.561
  346LYS    HD1 4877  -0.402  -1.115   1.481
  346LYS    HD2 4878  -0.374  -1.116   1.659
  346LYS     CE 4879  -0.194  -1.143   1.541
  346LYS    HE1 4880  -0.127  -1.114   1.625
  346LYS    HE2 4881  -0.149  -1.108   1.447
  346LYS     NZ 4882  -0.201  -1.290   1.537
  346LYS    HZ1 4883  -0.264  -1.323   1.460
  346LYS    HZ2 4884  -0.240  -1.326   1.625
  346LYS    HZ3 4885  -0.105  -1.328   1.520
  346LYS      C 4886  -0.615  -0.778   1.769
  346LYS      O 4887  -0.568  -0.665   1.780
  347GLY      N 4888  -0.740  -0.805   1.812
  347GLY     HN 4889  -0.776  -0.897   1.797
  347GLY     CA 4890  -0.816  -0.714   1.898
  347GLY    HA1 4891  -0.749  -0.648   1.949
  347GLY    HA2 4892  -0.872  -0.776   1.965
  347GLY      C 4893  -0.915  -0.629   1.824
  347GLY      O 4894  -0.972  -0.536   1.881
  348GLY      N 4895  -0.940  -0.661   1.695
  348GLY     HN 4896  -0.889  -0.738   1.653
  348GLY     CA 4897  -1.033  -0.595   1.604
  348GLY    HA1 4898  -1.133  -0.622   1.636
  348GLY    HA2 4899  -1.009  -0.632   1.505
  348GLY      C 4900  -1.026  -0.445   1.597
  348GLY      O 4901  -0.918  -0.383   1.613
  349LEU      N 4902  -1.139  -0.377   1.576
  349LEU     HN 4903  -1.227  -0.424   1.566
  349LEU     CA 4904  -1.144  -0.232   1.558
  349LEU     HA 4905  -1.073  -0.207   1.481
  349LEU     CB 4906  -1.284  -0.184   1.514
  349LEU    HB1 4907  -1.289  -0.072   1.516
  349LEU    HB2 4908  -1.360  -0.222   1.585
  349LEU     CG 4909  -1.325  -0.226   1.371
  349LEU     HG 4910  -1.319  -0.337   1.363
  349LEU    CD1 4911  -1.470  -0.185   1.346
  349LEU   HD11 4912  -1.480  -0.074   1.348
  349LEU   HD12 4913  -1.536  -0.228   1.424
  349LEU   HD13 4914  -1.503  -0.222   1.246
  349LEU    CD2 4915  -1.235  -0.163   1.264
  349LEU   HD21 4916  -1.129  -0.196   1.274
  349LEU   HD22 4917  -1.239  -0.052   1.269
  349LEU   HD23 4918  -1.270  -0.194   1.163
  349LEU      C 4919  -1.103  -0.157   1.683
  349LEU      O 4920  -1.052  -0.044   1.677
  350THR      N 4921  -1.122  -0.216   1.801
  350THR     HN 4922  -1.160  -0.308   1.799
  350THR     CA 4923  -1.076  -0.159   1.927
  350THR     HA 4924  -1.116  -0.059   1.933
  350THR     CB 4925  -1.128  -0.238   2.046
  350THR     HB 4926  -1.111  -0.347   2.027
  350THR    OG1 4927  -1.267  -0.211   2.061
  350THR    HG1 4928  -1.311  -0.247   1.982
  350THR    CG2 4929  -1.063  -0.200   2.180
  350THR   HG21 4930  -1.072  -0.091   2.198
  350THR   HG22 4931  -0.956  -0.227   2.183
  350THR   HG23 4932  -1.113  -0.255   2.262
  350THR      C 4933  -0.927  -0.142   1.938
  350THR      O 4934  -0.878  -0.036   1.981
  351GLN      N 4935  -0.849  -0.243   1.898
  351GLN     HN 4936  -0.889  -0.329   1.863
  351GLN     CA 4937  -0.705  -0.232   1.887
  351GLN     HA 4938  -0.668  -0.190   1.979
  351GLN     CB 4939  -0.639  -0.370   1.862
  351GLN    HB1 4940  -0.682  -0.415   1.770
  351GLN    HB2 4941  -0.667  -0.437   1.946
  351GLN     CG 4942  -0.485  -0.367   1.850
  351GLN    HG1 4943  -0.456  -0.311   1.758
  351GLN    HG2 4944  -0.446  -0.470   1.839
  351GLN     CD 4945  -0.417  -0.303   1.972
  351GLN    OE1 4946  -0.469  -0.286   2.080
  351GLN    NE2 4947  -0.287  -0.268   1.951
  351GLN   HE21 4948  -0.245  -0.291   1.863
  351GLN   HE22 4949  -0.233  -0.241   2.030
  351GLN      C 4950  -0.663  -0.138   1.776
  351GLN      O 4951  -0.574  -0.052   1.794
  352PHE      N 4952  -0.730  -0.147   1.661
  352PHE     HN 4953  -0.801  -0.218   1.652
  352PHE     CA 4954  -0.706  -0.071   1.541
  352PHE     HA 4955  -0.603  -0.088   1.513
  352PHE     CB 4956  -0.802  -0.121   1.430
  352PHE    HB1 4957  -0.906  -0.095   1.455
  352PHE    HB2 4958  -0.794  -0.231   1.416
  352PHE     CG 4959  -0.766  -0.056   1.301
  352PHE    CD1 4960  -0.639  -0.082   1.246
  352PHE    HD1 4961  -0.573  -0.153   1.293
  352PHE    CE1 4962  -0.596  -0.013   1.133
  352PHE    HE1 4963  -0.498  -0.032   1.093
  352PHE     CZ 4964  -0.680   0.080   1.072
  352PHE     HZ 4965  -0.647   0.131   0.984
  352PHE    CD2 4966  -0.851   0.037   1.238
  352PHE    HD2 4967  -0.948   0.057   1.280
  352PHE    CE2 4968  -0.808   0.105   1.124
  352PHE    HE2 4969  -0.873   0.177   1.076
  352PHE      C 4970  -0.722   0.079   1.564
  352PHE      O 4971  -0.646   0.163   1.512
  353LYS      N 4972  -0.818   0.118   1.648
  353LYS     HN 4973  -0.877   0.047   1.687
  353LYS     CA 4974  -0.853   0.255   1.681
  353LYS     HA 4975  -0.881   0.303   1.589
  353LYS     CB 4976  -0.974   0.252   1.777
  353LYS    HB1 4977  -0.949   0.190   1.865
  353LYS    HB2 4978  -1.057   0.202   1.722
  353LYS     CG 4979  -1.023   0.390   1.824
  353LYS    HG1 4980  -1.042   0.454   1.735
  353LYS    HG2 4981  -0.946   0.439   1.887
  353LYS     CD 4982  -1.152   0.375   1.906
  353LYS    HD1 4983  -1.127   0.315   1.997
  353LYS    HD2 4984  -1.225   0.317   1.845
  353LYS     CE 4985  -1.214   0.508   1.946
  353LYS    HE1 4986  -1.250   0.562   1.856
  353LYS    HE2 4987  -1.140   0.572   1.998
  353LYS     NZ 4988  -1.329   0.484   2.036
  353LYS    HZ1 4989  -1.298   0.443   2.127
  353LYS    HZ2 4990  -1.394   0.418   1.988
  353LYS    HZ3 4991  -1.378   0.574   2.052
  353LYS      C 4992  -0.738   0.335   1.741
  353LYS      O 4993  -0.729   0.458   1.726
  354LYS      N 4994  -0.646   0.267   1.811
  354LYS     HN 4995  -0.655   0.168   1.818
  354LYS     CA 4996  -0.521   0.323   1.860
  354LYS     HA 4997  -0.546   0.408   1.921
  354LYS     CB 4998  -0.444   0.219   1.944
  354LYS    HB1 4999  -0.351   0.266   1.984
  354LYS    HB2 5000  -0.414   0.135   1.878
  354LYS     CG 5001  -0.525   0.162   2.061
  354LYS    HG1 5002  -0.620   0.117   2.022
  354LYS    HG2 5003  -0.553   0.243   2.131
  354LYS     CD 5004  -0.448   0.051   2.134
  354LYS    HD1 5005  -0.354   0.094   2.175
  354LYS    HD2 5006  -0.420  -0.025   2.058
  354LYS     CE 5007  -0.529  -0.015   2.246
  354LYS    HE1 5008  -0.624  -0.055   2.205
  354LYS    HE2 5009  -0.551   0.059   2.326
  354LYS     NZ 5010  -0.453  -0.128   2.305
  354LYS    HZ1 5011  -0.355  -0.097   2.329
  354LYS    HZ2 5012  -0.445  -0.203   2.232
  354LYS    HZ3 5013  -0.499  -0.168   2.389
  354LYS      C 5014  -0.431   0.373   1.748
  354LYS      O 5015  -0.373   0.483   1.759
  355ALA      N 5016  -0.419   0.299   1.637
  355ALA     HN 5017  -0.472   0.214   1.625
  355ALA     CA 5018  -0.344   0.337   1.518
  355ALA     HA 5019  -0.242   0.359   1.548
  355ALA     CB 5020  -0.343   0.223   1.415
  355ALA    HB1 5021  -0.444   0.204   1.373
  355ALA    HB2 5022  -0.307   0.129   1.462
  355ALA    HB3 5023  -0.275   0.247   1.331
  355ALA      C 5024  -0.399   0.464   1.455
  355ALA      O 5025  -0.325   0.558   1.425
  356THR      N 5026  -0.532   0.474   1.442
  356THR     HN 5027  -0.591   0.396   1.466
  356THR     CA 5028  -0.598   0.590   1.383
  356THR     HA 5029  -0.539   0.620   1.297
  356THR     CB 5030  -0.740   0.561   1.335
  356THR     HB 5031  -0.789   0.654   1.297
  356THR    OG1 5032  -0.821   0.504   1.437
  356THR    HG1 5033  -0.818   0.563   1.513
  356THR    CG2 5034  -0.734   0.461   1.219
  356THR   HG21 5035  -0.690   0.364   1.252
  356THR   HG22 5036  -0.672   0.500   1.136
  356THR   HG23 5037  -0.836   0.440   1.180
  356THR      C 5038  -0.602   0.709   1.476
  356THR      O 5039  -0.626   0.823   1.433
  357SER      N 5040  -0.582   0.687   1.607
  357SER     HN 5041  -0.570   0.593   1.638
  357SER     CA 5042  -0.569   0.793   1.708
  357SER     HA 5043  -0.638   0.872   1.685
  357SER     CB 5044  -0.593   0.744   1.853
  357SER    HB1 5045  -0.582   0.829   1.924
  357SER    HB2 5046  -0.519   0.665   1.880
  357SER     OG 5047  -0.725   0.691   1.868
  357SER    HG1 5048  -0.729   0.610   1.814
  357SER      C 5049  -0.430   0.852   1.709
  357SER      O 5050  -0.409   0.966   1.755
  358GLY      N 5051  -0.330   0.776   1.661
  358GLY     HN 5052  -0.350   0.684   1.628
  358GLY     CA 5053  -0.194   0.822   1.638
  358GLY    HA1 5054  -0.130   0.736   1.643
  358GLY    HA2 5055  -0.169   0.899   1.710
  358GLY      C 5056  -0.176   0.884   1.502
  358GLY      O 5057  -0.272   0.931   1.439
  359GLY      N 5058  -0.051   0.888   1.455
  359GLY     HN 5059   0.025   0.854   1.509
  359GLY     CA 5060  -0.018   0.928   1.319
  359GLY    HA1 5061   0.078   0.978   1.322
  359GLY    HA2 5062  -0.096   0.989   1.277
  359GLY      C 5063  -0.000   0.806   1.234
  359GLY      O 5064   0.037   0.700   1.279
  360MET      N 5065  -0.029   0.824   1.104
  360MET     HN 5066  -0.065   0.910   1.069
  360MET     CA 5067  -0.005   0.723   1.004
  360MET     HA 5068   0.078   0.661   1.035
  360MET     CB 5069  -0.131   0.637   0.976
  360MET    HB1 5070  -0.100   0.554   0.908
  360MET    HB2 5071  -0.208   0.699   0.924
  360MET     CG 5072  -0.198   0.575   1.101
  360MET    HG1 5073  -0.233   0.658   1.166
  360MET    HG2 5074  -0.121   0.520   1.158
  360MET     SD 5075  -0.340   0.465   1.066
  360MET     CE 5076  -0.248   0.319   1.010
  360MET    HE1 5077  -0.182   0.279   1.090
  360MET    HE2 5078  -0.184   0.342   0.923
  360MET    HE3 5079  -0.317   0.237   0.980
  360MET      C 5080   0.037   0.797   0.879
  360MET      O 5081  -0.017   0.904   0.846
  361VAL      N 5082   0.136   0.742   0.807
  361VAL     HN 5083   0.174   0.654   0.836
  361VAL     CA 5084   0.196   0.800   0.689
  361VAL     HA 5085   0.188   0.908   0.694
  361VAL     CB 5086   0.343   0.762   0.678
  361VAL     HB 5087   0.354   0.651   0.686
  361VAL    CG1 5088   0.406   0.808   0.544
  361VAL   HG11 5089   0.388   0.916   0.527
  361VAL   HG12 5090   0.364   0.750   0.459
  361VAL   HG13 5091   0.516   0.789   0.546
  361VAL    CG2 5092   0.418   0.827   0.797
  361VAL   HG21 5093   0.382   0.788   0.894
  361VAL   HG22 5094   0.403   0.937   0.798
  361VAL   HG23 5095   0.527   0.806   0.791
  361VAL      C 5096   0.119   0.753   0.567
  361VAL      O 5097   0.093   0.634   0.550
  362LEU      N 5098   0.076   0.847   0.480
  362LEU     HN 5099   0.094   0.943   0.500
  362LEU     CA 5100   0.013   0.816   0.353
  362LEU     HA 5101  -0.067   0.746   0.372
  362LEU     CB 5102  -0.045   0.944   0.287
  362LEU    HB1 5103   0.038   1.017   0.275
  362LEU    HB2 5104  -0.119   0.989   0.357
  362LEU     CG 5105  -0.113   0.927   0.149
  362LEU     HG 5106  -0.039   0.884   0.077
  362LEU    CD1 5107  -0.233   0.832   0.154
  362LEU   HD11 5108  -0.310   0.869   0.225
  362LEU   HD12 5109  -0.203   0.730   0.185
  362LEU   HD13 5110  -0.279   0.824   0.053
  362LEU    CD2 5111  -0.158   1.062   0.093
  362LEU   HD21 5112  -0.071   1.129   0.079
  362LEU   HD22 5113  -0.231   1.110   0.162
  362LEU   HD23 5114  -0.207   1.047  -0.006
  362LEU      C 5115   0.108   0.749   0.255
  362LEU      O 5116   0.218   0.798   0.229
  363VAL      N 5117   0.063   0.637   0.196
  363VAL     HN 5118  -0.026   0.598   0.220
  363VAL     CA 5119   0.136   0.558   0.100
  363VAL     HA 5120   0.229   0.608   0.076
  363VAL     CB 5121   0.166   0.417   0.148
  363VAL     HB 5122   0.074   0.354   0.145
  363VAL    CG1 5123   0.274   0.353   0.058
  363VAL   HG11 5124   0.361   0.421   0.046
  363VAL   HG12 5125   0.233   0.328  -0.042
  363VAL   HG13 5126   0.310   0.259   0.104
  363VAL    CG2 5127   0.212   0.418   0.295
  363VAL   HG21 5128   0.128   0.446   0.362
  363VAL   HG22 5129   0.296   0.488   0.312
  363VAL   HG23 5130   0.245   0.316   0.324
  363VAL      C 5131   0.052   0.552  -0.025
  363VAL      O 5132  -0.072   0.545  -0.020
  364MET      N 5133   0.115   0.556  -0.143
  364MET     HN 5134   0.215   0.564  -0.145
  364MET     CA 5135   0.048   0.536  -0.270
  364MET     HA 5136  -0.042   0.478  -0.255
  364MET     CB 5137   0.015   0.669  -0.343
  364MET    HB1 5138  -0.020   0.646  -0.447
  364MET    HB2 5139   0.109   0.728  -0.351
  364MET     CG 5140  -0.095   0.751  -0.274
  364MET    HG1 5141  -0.073   0.758  -0.165
  364MET    HG2 5142  -0.190   0.693  -0.283
  364MET     SD 5143  -0.119   0.919  -0.338
  364MET     CE 5144   0.027   0.991  -0.257
  364MET    HE1 5145   0.120   0.942  -0.292
  364MET    HE2 5146   0.022   0.977  -0.147
  364MET    HE3 5147   0.036   1.099  -0.278
  364MET      C 5148   0.141   0.451  -0.355
  364MET      O 5149   0.261   0.475  -0.361
  365SER      N 5150   0.087   0.346  -0.419
  365SER     HN 5151  -0.011   0.324  -0.412
  365SER     CA 5152   0.170   0.248  -0.486
  365SER     HA 5153   0.260   0.296  -0.520
  365SER     CB 5154   0.210   0.128  -0.394
  365SER    HB1 5155   0.263   0.169  -0.305
  365SER    HB2 5156   0.281   0.060  -0.446
  365SER     OG 5157   0.097   0.053  -0.349
  365SER    HG1 5158   0.131  -0.019  -0.292
  365SER      C 5159   0.102   0.195  -0.609
  365SER      O 5160  -0.016   0.221  -0.637
  366LEU      N 5161   0.179   0.122  -0.690
  366LEU     HN 5162   0.275   0.108  -0.668
  366LEU     CA 5163   0.128   0.044  -0.800
  366LEU     HA 5164   0.026   0.015  -0.781
  366LEU     CB 5165   0.142   0.121  -0.934
  366LEU    HB1 5166   0.248   0.153  -0.947
  366LEU    HB2 5167   0.080   0.213  -0.926
  366LEU     CG 5168   0.099   0.044  -1.061
  366LEU     HG 5169   0.167  -0.044  -1.074
  366LEU    CD1 5170  -0.045  -0.009  -1.053
  366LEU   HD11 5171  -0.116   0.074  -1.036
  366LEU   HD12 5172  -0.056  -0.082  -0.970
  366LEU   HD13 5173  -0.072  -0.061  -1.147
  366LEU    CD2 5174   0.114   0.133  -1.185
  366LEU   HD21 5175   0.219   0.170  -1.194
  366LEU   HD22 5176   0.047   0.221  -1.178
  366LEU   HD23 5177   0.088   0.077  -1.277
  366LEU      C 5178   0.215  -0.079  -0.801
  366LEU      O 5179   0.336  -0.069  -0.791
  367TRP      N 5180   0.153  -0.199  -0.809
  367TRP     HN 5181   0.054  -0.208  -0.812
  367TRP     CA 5182   0.227  -0.322  -0.796
  367TRP     HA 5183   0.321  -0.313  -0.850
  367TRP     CB 5184   0.257  -0.356  -0.646
  367TRP    HB1 5185   0.318  -0.273  -0.604
  367TRP    HB2 5186   0.321  -0.447  -0.641
  367TRP     CG 5187   0.139  -0.376  -0.555
  367TRP    CD1 5188   0.055  -0.279  -0.506
  367TRP    HD1 5189   0.059  -0.174  -0.533
  367TRP    NE1 5190  -0.033  -0.334  -0.415
  367TRP    HE1 5191  -0.090  -0.288  -0.350
  367TRP    CE2 5192  -0.008  -0.468  -0.404
  367TRP    CD2 5193   0.100  -0.499  -0.489
  367TRP    CE3 5194   0.150  -0.629  -0.491
  367TRP    HE3 5195   0.235  -0.656  -0.551
  367TRP    CZ3 5196   0.090  -0.725  -0.409
  367TRP    HZ3 5197   0.128  -0.827  -0.407
  367TRP    CZ2 5198  -0.068  -0.563  -0.322
  367TRP    HZ2 5199  -0.147  -0.536  -0.254
  367TRP    CH2 5200  -0.017  -0.692  -0.326
  367TRP    HH2 5201  -0.059  -0.769  -0.261
  367TRP      C 5202   0.151  -0.434  -0.862
  367TRP      O 5203   0.030  -0.423  -0.889
  368ASP      N 5204   0.220  -0.544  -0.891
  368ASP     HN 5205   0.320  -0.551  -0.884
  368ASP     CA 5206   0.164  -0.672  -0.927
  368ASP     HA 5207   0.057  -0.668  -0.912
  368ASP     CB 5208   0.190  -0.710  -1.075
  368ASP    HB1 5209   0.148  -0.631  -1.140
  368ASP    HB2 5210   0.138  -0.805  -1.099
  368ASP     CG 5211   0.337  -0.726  -1.112
  368ASP    OD1 5212   0.425  -0.680  -1.040
  368ASP    OD2 5213   0.356  -0.783  -1.226
  368ASP      C 5214   0.219  -0.772  -0.825
  368ASP      O 5215   0.317  -0.751  -0.757
  369ASP      N 5216   0.144  -0.885  -0.810
  369ASP     HN 5217   0.068  -0.902  -0.871
  369ASP     CA 5218   0.164  -0.977  -0.701
  369ASP     HA 5219   0.225  -0.930  -0.624
  369ASP     CB 5220   0.027  -1.011  -0.639
  369ASP    HB1 5221  -0.038  -1.052  -0.719
  369ASP    HB2 5222  -0.020  -0.918  -0.601
  369ASP     CG 5223   0.023  -1.112  -0.526
  369ASP    OD1 5224   0.133  -1.168  -0.488
  369ASP    OD2 5225  -0.086  -1.148  -0.484
  369ASP      C 5226   0.242  -1.099  -0.747
  369ASP      O 5227   0.198  -1.177  -0.838
  370TYR      N 5228   0.355  -1.126  -0.685
  370TYR     HN 5229   0.378  -1.067  -0.606
  370TYR     CA 5230   0.446  -1.235  -0.715
  370TYR     HA 5231   0.429  -1.268  -0.817
  370TYR     CB 5232   0.593  -1.188  -0.698
  370TYR    HB1 5233   0.662  -1.272  -0.675
  370TYR    HB2 5234   0.600  -1.116  -0.614
  370TYR     CG 5235   0.645  -1.121  -0.823
  370TYR    CD1 5236   0.619  -0.986  -0.852
  370TYR    HD1 5237   0.553  -0.929  -0.788
  370TYR    CE1 5238   0.675  -0.924  -0.965
  370TYR    HE1 5239   0.652  -0.821  -0.987
  370TYR     CZ 5240   0.760  -0.997  -1.049
  370TYR     OH 5241   0.821  -0.934  -1.161
  370TYR     HH 5242   0.760  -0.867  -1.197
  370TYR    CD2 5243   0.728  -1.194  -0.911
  370TYR    HD2 5244   0.748  -1.298  -0.892
  370TYR    CE2 5245   0.785  -1.132  -1.023
  370TYR    HE2 5246   0.848  -1.189  -1.090
  370TYR      C 5247   0.422  -1.357  -0.629
  370TYR      O 5248   0.497  -1.456  -0.637
  371TYR      N 5249   0.318  -1.357  -0.544
  371TYR     HN 5250   0.259  -1.274  -0.535
  371TYR     CA 5251   0.293  -1.462  -0.447
  371TYR     HA 5252   0.363  -1.543  -0.462
  371TYR     CB 5253   0.308  -1.407  -0.303
  371TYR    HB1 5254   0.271  -1.480  -0.227
  371TYR    HB2 5255   0.251  -1.312  -0.291
  371TYR     CG 5256   0.454  -1.381  -0.275
  371TYR    CD1 5257   0.513  -1.260  -0.313
  371TYR    HD1 5258   0.453  -1.186  -0.363
  371TYR    CE1 5259   0.649  -1.236  -0.290
  371TYR    HE1 5260   0.693  -1.142  -0.320
  371TYR     CZ 5261   0.727  -1.334  -0.229
  371TYR     OH 5262   0.864  -1.309  -0.208
  371TYR     HH 5263   0.901  -1.383  -0.161
  371TYR    CD2 5264   0.533  -1.479  -0.213
  371TYR    HD2 5265   0.487  -1.572  -0.185
  371TYR    CE2 5266   0.669  -1.456  -0.190
  371TYR    HE2 5267   0.729  -1.531  -0.142
  371TYR      C 5268   0.157  -1.525  -0.460
  371TYR      O 5269   0.145  -1.648  -0.442
  372ALA      N 5270   0.052  -1.448  -0.489
  372ALA     HN 5271   0.062  -1.346  -0.488
  372ALA     CA 5272  -0.081  -1.502  -0.507
  372ALA     HA 5273  -0.077  -1.610  -0.515
  372ALA     CB 5274  -0.168  -1.462  -0.386
  372ALA    HB1 5275  -0.171  -1.352  -0.377
  372ALA    HB2 5276  -0.122  -1.502  -0.294
  372ALA    HB3 5277  -0.271  -1.502  -0.396
  372ALA      C 5278  -0.146  -1.454  -0.635
  372ALA      O 5279  -0.258  -1.498  -0.668
  373ASN      N 5280  -0.082  -1.364  -0.711
  373ASN     HN 5281   0.001  -1.322  -0.673
  373ASN     CA 5282  -0.120  -1.321  -0.845
  373ASN     HA 5283  -0.040  -1.257  -0.880
  373ASN     CB 5284  -0.134  -1.439  -0.945
  373ASN    HB1 5285  -0.159  -1.401  -1.046
  373ASN    HB2 5286  -0.216  -1.507  -0.915
  373ASN     CG 5287  -0.007  -1.523  -0.956
  373ASN    OD1 5288  -0.012  -1.647  -0.973
  373ASN    ND2 5289   0.112  -1.461  -0.942
  373ASN   HD21 5290   0.115  -1.362  -0.923
  373ASN   HD22 5291   0.195  -1.515  -0.944
  373ASN      C 5292  -0.240  -1.227  -0.844
  373ASN      O 5293  -0.303  -1.204  -0.948
  374MET      N 5294  -0.273  -1.170  -0.727
  374MET     HN 5295  -0.215  -1.188  -0.646
  374MET     CA 5296  -0.376  -1.070  -0.704
  374MET     HA 5297  -0.360  -1.033  -0.604
  374MET     CB 5298  -0.366  -0.949  -0.802
  374MET    HB1 5299  -0.433  -0.965  -0.889
  374MET    HB2 5300  -0.262  -0.944  -0.841
  374MET     CG 5301  -0.400  -0.814  -0.735
  374MET    HG1 5302  -0.500  -0.824  -0.688
  374MET    HG2 5303  -0.409  -0.737  -0.814
  374MET     SD 5304  -0.279  -0.761  -0.610
  374MET     CE 5305  -0.152  -0.706  -0.728
  374MET    HE1 5306  -0.191  -0.628  -0.796
  374MET    HE2 5307  -0.115  -0.790  -0.790
  374MET    HE3 5308  -0.064  -0.662  -0.674
  374MET      C 5309  -0.515  -1.132  -0.705
  374MET      O 5310  -0.618  -1.066  -0.703
  375LEU      N 5311  -0.521  -1.267  -0.697
  375LEU     HN 5312  -0.436  -1.319  -0.695
  375LEU     CA 5313  -0.644  -1.342  -0.714
  375LEU     HA 5314  -0.697  -1.303  -0.800
  375LEU     CB 5315  -0.611  -1.492  -0.734
  375LEU    HB1 5316  -0.704  -1.553  -0.741
  375LEU    HB2 5317  -0.553  -1.526  -0.645
  375LEU     CG 5318  -0.524  -1.524  -0.858
  375LEU     HG 5319  -0.432  -1.460  -0.854
  375LEU    CD1 5320  -0.478  -1.671  -0.856
  375LEU   HD11 5321  -0.566  -1.738  -0.864
  375LEU   HD12 5322  -0.423  -1.693  -0.762
  375LEU   HD13 5323  -0.411  -1.690  -0.942
  375LEU    CD2 5324  -0.595  -1.493  -0.991
  375LEU   HD21 5325  -0.622  -1.385  -0.996
  375LEU   HD22 5326  -0.687  -1.554  -1.001
  375LEU   HD23 5327  -0.527  -1.516  -1.076
  375LEU      C 5328  -0.735  -1.327  -0.594
  375LEU      O 5329  -0.857  -1.349  -0.600
  376TRP      N 5330  -0.679  -1.283  -0.480
  376TRP     HN 5331  -0.582  -1.259  -0.481
  376TRP     CA 5332  -0.749  -1.254  -0.357
  376TRP     HA 5333  -0.818  -1.334  -0.338
  376TRP     CB 5334  -0.650  -1.245  -0.238
  376TRP    HB1 5335  -0.607  -1.346  -0.223
  376TRP    HB2 5336  -0.705  -1.219  -0.145
  376TRP     CG 5337  -0.537  -1.148  -0.257
  376TRP    CD1 5338  -0.413  -1.177  -0.308
  376TRP    HD1 5339  -0.379  -1.277  -0.334
  376TRP    NE1 5340  -0.340  -1.062  -0.323
  376TRP    HE1 5341  -0.249  -1.055  -0.361
  376TRP    CE2 5342  -0.416  -0.956  -0.280
  376TRP    CD2 5343  -0.540  -1.006  -0.236
  376TRP    CE3 5344  -0.637  -0.918  -0.186
  376TRP    HE3 5345  -0.732  -0.953  -0.147
  376TRP    CZ3 5346  -0.609  -0.781  -0.186
  376TRP    HZ3 5347  -0.683  -0.711  -0.149
  376TRP    CZ2 5348  -0.388  -0.820  -0.279
  376TRP    HZ2 5349  -0.294  -0.781  -0.315
  376TRP    CH2 5350  -0.488  -0.734  -0.235
  376TRP    HH2 5351  -0.472  -0.627  -0.240
  376TRP      C 5352  -0.832  -1.126  -0.369
  376TRP      O 5353  -0.929  -1.110  -0.295
  377LEU      N 5354  -0.799  -1.038  -0.466
  377LEU     HN 5355  -0.722  -1.057  -0.527
  377LEU     CA 5356  -0.867  -0.913  -0.489
  377LEU     HA 5357  -0.915  -0.880  -0.398
  377LEU     CB 5358  -0.766  -0.806  -0.537
  377LEU    HB1 5359  -0.713  -0.843  -0.628
  377LEU    HB2 5360  -0.689  -0.793  -0.458
  377LEU     CG 5361  -0.824  -0.666  -0.572
  377LEU     HG 5362  -0.895  -0.677  -0.657
  377LEU    CD1 5363  -0.901  -0.604  -0.454
  377LEU   HD11 5364  -0.834  -0.592  -0.366
  377LEU   HD12 5365  -0.987  -0.667  -0.425
  377LEU   HD13 5366  -0.939  -0.503  -0.482
  377LEU    CD2 5367  -0.712  -0.571  -0.618
  377LEU   HD21 5368  -0.658  -0.613  -0.706
  377LEU   HD22 5369  -0.639  -0.554  -0.536
  377LEU   HD23 5370  -0.755  -0.473  -0.647
  377LEU      C 5371  -0.974  -0.931  -0.596
  377LEU      O 5372  -1.088  -0.889  -0.579
  378ASP      N 5373  -0.937  -0.992  -0.711
  378ASP     HN 5374  -0.845  -1.029  -0.723
  378ASP     CA 5375  -1.015  -0.979  -0.833
  378ASP     HA 5376  -1.106  -0.925  -0.812
  378ASP     CB 5377  -0.931  -0.895  -0.934
  378ASP    HB1 5378  -0.900  -0.802  -0.882
  378ASP    HB2 5379  -0.996  -0.866  -1.019
  378ASP     CG 5380  -0.805  -0.958  -0.992
  378ASP    OD1 5381  -0.788  -1.084  -0.977
  378ASP    OD2 5382  -0.730  -0.885  -1.058
  378ASP      C 5383  -1.061  -1.112  -0.890
  378ASP      O 5384  -1.125  -1.116  -0.999
  379SER      N 5385  -1.041  -1.225  -0.822
  379SER     HN 5386  -0.995  -1.222  -0.733
  379SER     CA 5387  -1.065  -1.355  -0.881
  379SER     HA 5388  -1.140  -1.347  -0.959
  379SER     CB 5389  -0.936  -1.416  -0.942
  379SER    HB1 5390  -0.865  -1.444  -0.861
  379SER    HB2 5391  -0.885  -1.338  -1.003
  379SER     OG 5392  -0.963  -1.530  -1.025
  379SER    HG1 5393  -1.006  -1.496  -1.106
  379SER      C 5394  -1.125  -1.446  -0.774
  379SER      O 5395  -1.164  -1.408  -0.668
  380THR      N 5396  -1.137  -1.577  -0.811
  380THR     HN 5397  -1.099  -1.602  -0.899
  380THR     CA 5398  -1.172  -1.681  -0.715
  380THR     HA 5399  -1.237  -1.639  -0.640
  380THR     CB 5400  -1.242  -1.800  -0.779
  380THR     HB 5401  -1.172  -1.856  -0.845
  380THR    OG1 5402  -1.349  -1.755  -0.861
  380THR    HG1 5403  -1.318  -1.672  -0.900
  380THR    CG2 5404  -1.299  -1.894  -0.672
  380THR   HG21 5405  -1.365  -1.839  -0.602
  380THR   HG22 5406  -1.217  -1.940  -0.612
  380THR   HG23 5407  -1.357  -1.976  -0.718
  380THR      C 5408  -1.046  -1.728  -0.647
  380THR      O 5409  -0.950  -1.772  -0.715
  381TYR      N 5410  -1.039  -1.720  -0.515
  381TYR     HN 5411  -1.119  -1.688  -0.462
  381TYR     CA 5412  -0.921  -1.751  -0.439
  381TYR     HA 5413  -0.859  -1.817  -0.497
  381TYR     CB 5414  -0.839  -1.623  -0.409
  381TYR    HB1 5415  -0.896  -1.554  -0.344
  381TYR    HB2 5416  -0.820  -1.572  -0.505
  381TYR     CG 5417  -0.705  -1.653  -0.346
  381TYR    CD1 5418  -0.599  -1.696  -0.427
  381TYR    HD1 5419  -0.614  -1.709  -0.533
  381TYR    CE1 5420  -0.472  -1.720  -0.372
  381TYR    HE1 5421  -0.390  -1.749  -0.437
  381TYR     CZ 5422  -0.451  -1.704  -0.235
  381TYR     OH 5423  -0.324  -1.731  -0.180
  381TYR     HH 5424  -0.264  -1.745  -0.253
  381TYR    CD2 5425  -0.683  -1.636  -0.208
  381TYR    HD2 5426  -0.763  -1.602  -0.145
  381TYR    CE2 5427  -0.557  -1.664  -0.153
  381TYR    HE2 5428  -0.543  -1.653  -0.047
  381TYR      C 5429  -0.965  -1.816  -0.307
  381TYR      O 5430  -1.054  -1.768  -0.243
  382PRO      N 5431  -0.900  -1.926  -0.265
  382PRO     CD 5432  -0.922  -1.969  -0.126
  382PRO    HD1 5433  -1.025  -2.009  -0.119
  382PRO    HD2 5434  -0.908  -1.884  -0.055
  382PRO     CA 5435  -0.825  -2.025  -0.340
  382PRO     HA 5436  -0.730  -1.978  -0.364
  382PRO     CB 5437  -0.808  -2.143  -0.243
  382PRO    HB1 5438  -0.713  -2.197  -0.259
  382PRO    HB2 5439  -0.892  -2.215  -0.255
  382PRO     CG 5440  -0.818  -2.079  -0.105
  382PRO    HG1 5441  -0.850  -2.150  -0.026
  382PRO    HG2 5442  -0.722  -2.032  -0.076
  382PRO      C 5443  -0.881  -2.068  -0.474
  382PRO      O 5444  -1.003  -2.063  -0.495
  383THR      N 5445  -0.796  -2.108  -0.568
  383THR     HN 5446  -0.698  -2.120  -0.551
  383THR     CA 5447  -0.832  -2.134  -0.707
  383THR     HA 5448  -0.899  -2.055  -0.740
  383THR     CB 5449  -0.710  -2.134  -0.797
  383THR     HB 5450  -0.735  -2.167  -0.901
  383THR    OG1 5451  -0.608  -2.217  -0.741
  383THR    HG1 5452  -0.540  -2.231  -0.808
  383THR    CG2 5453  -0.654  -1.992  -0.802
  383THR   HG21 5454  -0.619  -1.959  -0.701
  383THR   HG22 5455  -0.731  -1.920  -0.836
  383THR   HG23 5456  -0.567  -1.985  -0.870
  383THR      C 5457  -0.907  -2.264  -0.726
  383THR      O 5458  -0.971  -2.286  -0.829
  384ASN      N 5459  -0.904  -2.352  -0.624
  384ASN     HN 5460  -0.849  -2.333  -0.543
  384ASN     CA 5461  -0.975  -2.478  -0.624
  384ASN     HA 5462  -0.993  -2.509  -0.726
  384ASN     CB 5463  -0.892  -2.588  -0.552
  384ASN    HB1 5464  -0.794  -2.597  -0.604
  384ASN    HB2 5465  -0.944  -2.686  -0.561
  384ASN     CG 5466  -0.865  -2.558  -0.405
  384ASN    OD1 5467  -0.793  -2.458  -0.374
  384ASN    ND2 5468  -0.916  -2.637  -0.313
  384ASN   HD21 5469  -0.904  -2.613  -0.216
  384ASN   HD22 5470  -0.975  -2.714  -0.339
  384ASN      C 5471  -1.111  -2.463  -0.559
  384ASN      O 5472  -1.189  -2.560  -0.558
  385GLU      N 5473  -1.147  -2.344  -0.508
  385GLU     HN 5474  -1.087  -2.264  -0.514
  385GLU     CA 5475  -1.278  -2.318  -0.453
  385GLU     HA 5476  -1.312  -2.409  -0.405
  385GLU     CB 5477  -1.280  -2.207  -0.345
  385GLU    HB1 5478  -1.384  -2.184  -0.315
  385GLU    HB2 5479  -1.237  -2.114  -0.389
  385GLU     CG 5480  -1.202  -2.244  -0.216
  385GLU    HG1 5481  -1.195  -2.154  -0.152
  385GLU    HG2 5482  -1.100  -2.277  -0.241
  385GLU     CD 5483  -1.268  -2.352  -0.130
  385GLU    OE1 5484  -1.383  -2.395  -0.166
  385GLU    OE2 5485  -1.210  -2.387  -0.025
  385GLU      C 5486  -1.380  -2.289  -0.559
  385GLU      O 5487  -1.349  -2.254  -0.677
  386THR      N 5488  -1.507  -2.302  -0.525
  386THR     HN 5489  -1.526  -2.324  -0.429
  386THR     CA 5490  -1.620  -2.286  -0.615
  386THR     HA 5491  -1.584  -2.274  -0.716
  386THR     CB 5492  -1.718  -2.403  -0.612
  386THR     HB 5493  -1.794  -2.391  -0.692
  386THR    OG1 5494  -1.787  -2.414  -0.487
  386THR    HG1 5495  -1.718  -2.406  -0.419
  386THR    CG2 5496  -1.642  -2.533  -0.640
  386THR   HG21 5497  -1.569  -2.556  -0.560
  386THR   HG22 5498  -1.586  -2.524  -0.736
  386THR   HG23 5499  -1.712  -2.619  -0.649
  386THR      C 5500  -1.692  -2.157  -0.576
  386THR      O 5501  -1.666  -2.094  -0.480
  387SER      N 5502  -1.796  -2.121  -0.659
  387SER     HN 5503  -1.816  -2.168  -0.742
  387SER     CA 5504  -1.879  -2.007  -0.627
  387SER     HA 5505  -1.817  -1.927  -0.588
  387SER     CB 5506  -1.952  -1.957  -0.754
  387SER    HB1 5507  -1.873  -1.925  -0.827
  387SER    HB2 5508  -2.014  -1.867  -0.732
  387SER     OG 5509  -2.031  -2.060  -0.816
  387SER    HG1 5510  -2.089  -2.099  -0.750
  387SER      C 5511  -1.985  -2.035  -0.522
  387SER      O 5512  -2.057  -1.948  -0.479
  388SER      N 5513  -1.998  -2.165  -0.481
  388SER     HN 5514  -1.939  -2.236  -0.517
  388SER     CA 5515  -2.087  -2.201  -0.371
  388SER     HA 5516  -2.172  -2.135  -0.373
  388SER     CB 5517  -2.144  -2.346  -0.384
  388SER    HB1 5518  -2.191  -2.357  -0.484
  388SER    HB2 5519  -2.224  -2.358  -0.307
  388SER     OG 5520  -2.048  -2.450  -0.364
  388SER    HG1 5521  -1.974  -2.439  -0.426
  388SER      C 5522  -2.021  -2.183  -0.235
  388SER      O 5523  -2.086  -2.177  -0.134
  389THR      N 5524  -1.886  -2.171  -0.236
  389THR     HN 5525  -1.834  -2.173  -0.320
  389THR     CA 5526  -1.806  -2.150  -0.116
  389THR     HA 5527  -1.845  -2.216  -0.040
  389THR     CB 5528  -1.659  -2.187  -0.136
  389THR     HB 5529  -1.612  -2.119  -0.209
  389THR    OG1 5530  -1.643  -2.320  -0.187
  389THR    HG1 5531  -1.549  -2.344  -0.172
  389THR    CG2 5532  -1.584  -2.181  -0.002
  389THR   HG21 5533  -1.633  -2.245   0.075
  389THR   HG22 5534  -1.580  -2.077   0.037
  389THR   HG23 5535  -1.479  -2.216  -0.013
  389THR      C 5536  -1.815  -2.003  -0.071
  389THR      O 5537  -1.782  -1.916  -0.153
  390PRO      N 5538  -1.859  -1.967   0.050
  390PRO     CD 5539  -1.912  -2.059   0.151
  390PRO    HD1 5540  -1.826  -2.103   0.206
  390PRO    HD2 5541  -1.975  -2.138   0.106
  390PRO     CA 5542  -1.873  -1.827   0.093
  390PRO     HA 5543  -1.947  -1.782   0.030
  390PRO     CB 5544  -1.920  -1.837   0.239
  390PRO    HB1 5545  -1.982  -1.750   0.269
  390PRO    HB2 5546  -1.833  -1.844   0.308
  390PRO     CG 5547  -1.996  -1.970   0.243
  390PRO    HG1 5548  -2.004  -2.011   0.346
  390PRO    HG2 5549  -2.097  -1.958   0.199
  390PRO      C 5550  -1.748  -1.742   0.081
  390PRO      O 5551  -1.645  -1.774   0.140
  391GLY      N 5552  -1.753  -1.631   0.004
  391GLY     HN 5553  -1.837  -1.609  -0.045
  391GLY     CA 5554  -1.645  -1.533  -0.003
  391GLY    HA1 5555  -1.612  -1.511   0.097
  391GLY    HA2 5556  -1.683  -1.446  -0.053
  391GLY      C 5557  -1.523  -1.579  -0.080
  391GLY      O 5558  -1.420  -1.512  -0.080
  392ALA      N 5559  -1.533  -1.695  -0.149
  392ALA     HN 5560  -1.614  -1.752  -0.139
  392ALA     CA 5561  -1.428  -1.747  -0.236
  392ALA     HA 5562  -1.336  -1.748  -0.180
  392ALA     CB 5563  -1.460  -1.891  -0.280
  392ALA    HB1 5564  -1.556  -1.896  -0.336
  392ALA    HB2 5565  -1.468  -1.957  -0.191
  392ALA    HB3 5566  -1.380  -1.930  -0.345
  392ALA      C 5567  -1.406  -1.662  -0.358
  392ALA      O 5568  -1.292  -1.641  -0.403
  393VAL      N 5569  -1.514  -1.609  -0.416
  393VAL     HN 5570  -1.604  -1.625  -0.374
  393VAL     CA 5571  -1.511  -1.528  -0.536
  393VAL     HA 5572  -1.423  -1.552  -0.593
  393VAL     CB 5573  -1.634  -1.551  -0.623
  393VAL     HB 5574  -1.726  -1.518  -0.571
  393VAL    CG1 5575  -1.618  -1.474  -0.756
  393VAL   HG11 5576  -1.526  -1.507  -0.809
  393VAL   HG12 5577  -1.611  -1.364  -0.739
  393VAL   HG13 5578  -1.705  -1.493  -0.822
  393VAL    CG2 5579  -1.651  -1.702  -0.651
  393VAL   HG21 5580  -1.671  -1.758  -0.558
  393VAL   HG22 5581  -1.558  -1.743  -0.698
  393VAL   HG23 5582  -1.735  -1.719  -0.721
  393VAL      C 5583  -1.506  -1.382  -0.494
  393VAL      O 5584  -1.591  -1.334  -0.425
  394ARG      N 5585  -1.399  -1.310  -0.540
  394ARG     HN 5586  -1.326  -1.351  -0.592
  394ARG     CA 5587  -1.381  -1.170  -0.505
  394ARG     HA 5588  -1.461  -1.135  -0.441
  394ARG     CB 5589  -1.245  -1.150  -0.433
  394ARG    HB1 5590  -1.239  -1.043  -0.400
  394ARG    HB2 5591  -1.161  -1.166  -0.504
  394ARG     CG 5592  -1.223  -1.239  -0.309
  394ARG    HG1 5593  -1.321  -1.270  -0.267
  394ARG    HG2 5594  -1.173  -1.177  -0.231
  394ARG     CD 5595  -1.135  -1.362  -0.336
  394ARG    HD1 5596  -1.033  -1.333  -0.370
  394ARG    HD2 5597  -1.181  -1.423  -0.418
  394ARG     NE 5598  -1.129  -1.449  -0.216
  394ARG     HE 5599  -1.177  -1.534  -0.214
  394ARG     CZ 5600  -1.047  -1.425  -0.106
  394ARG    NH1 5601  -0.975  -1.322  -0.094
  394ARG   HH11 5602  -0.984  -1.242  -0.155
  394ARG   HH12 5603  -0.932  -1.301  -0.003
  394ARG    NH2 5604  -1.044  -1.520  -0.015
  394ARG   HH21 5605  -1.088  -1.606  -0.029
  394ARG   HH22 5606  -0.977  -1.507   0.061
  394ARG      C 5607  -1.385  -1.081  -0.630
  394ARG      O 5608  -1.378  -0.961  -0.625
  395GLY      N 5609  -1.401  -1.144  -0.749
  395GLY     HN 5610  -1.407  -1.242  -0.756
  395GLY     CA 5611  -1.411  -1.067  -0.872
  395GLY    HA1 5612  -1.318  -1.016  -0.889
  395GLY    HA2 5613  -1.495  -0.999  -0.865
  395GLY      C 5614  -1.437  -1.156  -0.989
  395GLY      O 5615  -1.471  -1.276  -0.973
  396SER      N 5616  -1.426  -1.103  -1.110
  396SER     HN 5617  -1.397  -1.007  -1.120
  396SER     CA 5618  -1.461  -1.173  -1.233
  396SER     HA 5619  -1.515  -1.264  -1.208
  396SER     CB 5620  -1.553  -1.087  -1.324
  396SER    HB1 5621  -1.643  -1.060  -1.263
  396SER    HB2 5622  -1.587  -1.145  -1.412
  396SER     OG 5623  -1.492  -0.965  -1.367
  396SER    HG1 5624  -1.412  -0.989  -1.416
  396SER      C 5625  -1.340  -1.215  -1.312
  396SER      O 5626  -1.356  -1.277  -1.420
  397CYS      N 5627  -1.218  -1.186  -1.268
  397CYS     HN 5628  -1.204  -1.140  -1.179
  397CYS     CA 5629  -1.096  -1.230  -1.333
  397CYS     HA 5630  -1.105  -1.201  -1.437
  397CYS     CB 5631  -0.968  -1.163  -1.277
  397CYS    HB1 5632  -0.878  -1.201  -1.329
  397CYS    HB2 5633  -0.956  -1.189  -1.169
  397CYS     SG 5634  -0.972  -0.982  -1.294
  397CYS      C 5635  -1.076  -1.380  -1.331
  397CYS      O 5636  -1.115  -1.451  -1.238
  398SER      N 5637  -1.012  -1.433  -1.436
  398SER     HN 5638  -0.979  -1.372  -1.507
  398SER     CA 5639  -0.975  -1.574  -1.445
  398SER     HA 5640  -1.064  -1.633  -1.433
  398SER     CB 5641  -0.908  -1.608  -1.582
  398SER    HB1 5642  -0.811  -1.554  -1.589
  398SER    HB2 5643  -0.976  -1.567  -1.661
  398SER     OG 5644  -0.890  -1.749  -1.602
  398SER    HG1 5645  -0.810  -1.765  -1.655
  398SER      C 5646  -0.875  -1.613  -1.337
  398SER      O 5647  -0.788  -1.538  -1.301
  399THR      N 5648  -0.883  -1.740  -1.291
  399THR     HN 5649  -0.955  -1.802  -1.321
  399THR     CA 5650  -0.791  -1.796  -1.192
  399THR     HA 5651  -0.783  -1.725  -1.110
  399THR     CB 5652  -0.839  -1.929  -1.137
  399THR     HB 5653  -0.760  -1.979  -1.075
  399THR    OG1 5654  -0.882  -2.017  -1.241
  399THR    HG1 5655  -0.910  -2.097  -1.194
  399THR    CG2 5656  -0.959  -1.903  -1.045
  399THR   HG21 5657  -1.042  -1.855  -1.101
  399THR   HG22 5658  -0.929  -1.833  -0.964
  399THR   HG23 5659  -0.996  -1.996  -0.998
  399THR      C 5660  -0.650  -1.817  -1.244
  399THR      O 5661  -0.558  -1.849  -1.172
  400SER      N 5662  -0.635  -1.801  -1.378
  400SER     HN 5663  -0.715  -1.780  -1.431
  400SER     CA 5664  -0.508  -1.812  -1.448
  400SER     HA 5665  -0.437  -1.866  -1.387
  400SER     CB 5666  -0.531  -1.886  -1.583
  400SER    HB1 5667  -0.585  -1.981  -1.562
  400SER    HB2 5668  -0.432  -1.912  -1.627
  400SER     OG 5669  -0.607  -1.808  -1.678
  400SER    HG1 5670  -0.541  -1.745  -1.711
  400SER      C 5671  -0.450  -1.676  -1.479
  400SER      O 5672  -0.355  -1.665  -1.557
  401SER      N 5673  -0.509  -1.567  -1.428
  401SER     HN 5674  -0.582  -1.576  -1.360
  401SER     CA 5675  -0.464  -1.431  -1.456
  401SER     HA 5676  -0.414  -1.431  -1.552
  401SER     CB 5677  -0.580  -1.328  -1.467
  401SER    HB1 5678  -0.655  -1.365  -1.539
  401SER    HB2 5679  -0.541  -1.231  -1.504
  401SER     OG 5680  -0.646  -1.302  -1.343
  401SER    HG1 5681  -0.679  -1.385  -1.303
  401SER      C 5682  -0.361  -1.384  -1.355
  401SER      O 5683  -0.338  -1.446  -1.253
  402GLY      N 5684  -0.294  -1.271  -1.388
  402GLY     HN 5685  -0.308  -1.226  -1.475
  402GLY     CA 5686  -0.213  -1.198  -1.291
  402GLY    HA1 5687  -0.264  -1.196  -1.195
  402GLY    HA2 5688  -0.197  -1.100  -1.331
  402GLY      C 5689  -0.076  -1.254  -1.267
  402GLY      O 5690  -0.012  -1.225  -1.168
  403VAL      N 5691  -0.027  -1.337  -1.361
  403VAL     HN 5692  -0.085  -1.365  -1.436
  403VAL     CA 5693   0.110  -1.385  -1.361
  403VAL     HA 5694   0.131  -1.424  -1.263
  403VAL     CB 5695   0.129  -1.500  -1.460
  403VAL     HB 5696   0.096  -1.467  -1.562
  403VAL    CG1 5697   0.278  -1.542  -1.469
  403VAL   HG11 5698   0.316  -1.569  -1.368
  403VAL   HG12 5699   0.341  -1.462  -1.512
  403VAL   HG13 5700   0.287  -1.631  -1.535
  403VAL    CG2 5701   0.041  -1.619  -1.417
  403VAL   HG21 5702  -0.067  -1.592  -1.417
  403VAL   HG22 5703   0.068  -1.651  -1.314
  403VAL   HG23 5704   0.056  -1.704  -1.486
  403VAL      C 5705   0.205  -1.270  -1.395
  403VAL      O 5706   0.192  -1.220  -1.509
  404PRO      N 5707   0.296  -1.223  -1.309
  404PRO     CD 5708   0.319  -1.280  -1.175
  404PRO    HD1 5709   0.373  -1.376  -1.183
  404PRO    HD2 5710   0.223  -1.294  -1.120
  404PRO     CA 5711   0.377  -1.103  -1.328
  404PRO     HA 5712   0.311  -1.018  -1.314
  404PRO     CB 5713   0.480  -1.108  -1.216
  404PRO    HB1 5714   0.513  -1.005  -1.188
  404PRO    HB2 5715   0.569  -1.169  -1.242
  404PRO     CG 5716   0.403  -1.176  -1.102
  404PRO    HG1 5717   0.470  -1.220  -1.026
  404PRO    HG2 5718   0.337  -1.100  -1.054
  404PRO      C 5719   0.438  -1.083  -1.465
  404PRO      O 5720   0.410  -0.985  -1.533
  405ALA      N 5721   0.514  -1.183  -1.513
  405ALA     HN 5722   0.533  -1.261  -1.453
  405ALA     CA 5723   0.583  -1.176  -1.640
  405ALA     HA 5724   0.649  -1.090  -1.634
  405ALA     CB 5725   0.663  -1.306  -1.664
  405ALA    HB1 5726   0.596  -1.394  -1.664
  405ALA    HB2 5727   0.738  -1.319  -1.582
  405ALA    HB3 5728   0.716  -1.302  -1.760
  405ALA      C 5729   0.489  -1.154  -1.757
  405ALA      O 5730   0.520  -1.079  -1.852
  406GLN      N 5731   0.373  -1.222  -1.756
  406GLN     HN 5732   0.350  -1.276  -1.675
  406GLN     CA 5733   0.269  -1.206  -1.854
  406GLN     HA 5734   0.315  -1.214  -1.951
  406GLN     CB 5735   0.163  -1.318  -1.842
  406GLN    HB1 5736   0.115  -1.314  -1.742
  406GLN    HB2 5737   0.218  -1.415  -1.848
  406GLN     CG 5738   0.054  -1.312  -1.952
  406GLN    HG1 5739   0.104  -1.303  -2.051
  406GLN    HG2 5740  -0.012  -1.224  -1.936
  406GLN     CD 5741  -0.033  -1.438  -1.951
  406GLN    OE1 5742  -0.049  -1.509  -1.853
  406GLN    NE2 5743  -0.095  -1.469  -2.069
  406GLN   HE21 5744  -0.075  -1.412  -2.151
  406GLN   HE22 5745  -0.143  -1.554  -2.072
  406GLN      C 5746   0.201  -1.069  -1.851
  406GLN      O 5747   0.184  -1.007  -1.957
  407VAL      N 5748   0.163  -1.017  -1.733
  407VAL     HN 5749   0.184  -1.064  -1.646
  407VAL     CA 5750   0.095  -0.888  -1.721
  407VAL     HA 5751   0.021  -0.886  -1.799
  407VAL     CB 5752   0.018  -0.867  -1.591
  407VAL     HB 5753  -0.031  -0.766  -1.594
  407VAL    CG1 5754  -0.092  -0.974  -1.580
  407VAL   HG11 5755  -0.047  -1.074  -1.563
  407VAL   HG12 5756  -0.154  -0.978  -1.671
  407VAL   HG13 5757  -0.157  -0.951  -1.493
  407VAL    CG2 5758   0.109  -0.868  -1.467
  407VAL   HG21 5759   0.190  -0.793  -1.472
  407VAL   HG22 5760   0.155  -0.968  -1.453
  407VAL   HG23 5761   0.050  -0.846  -1.375
  407VAL      C 5762   0.186  -0.771  -1.754
  407VAL      O 5763   0.146  -0.677  -1.823
  408GLU      N 5764   0.314  -0.776  -1.713
  408GLU     HN 5765   0.345  -0.850  -1.651
  408GLU     CA 5766   0.415  -0.679  -1.750
  408GLU     HA 5767   0.383  -0.581  -1.716
  408GLU     CB 5768   0.548  -0.716  -1.683
  408GLU    HB1 5769   0.633  -0.660  -1.728
  408GLU    HB2 5770   0.563  -0.825  -1.704
  408GLU     CG 5771   0.556  -0.693  -1.530
  408GLU    HG1 5772   0.462  -0.724  -1.479
  408GLU    HG2 5773   0.572  -0.586  -1.507
  408GLU     CD 5774   0.671  -0.775  -1.469
  408GLU    OE1 5775   0.738  -0.844  -1.552
  408GLU    OE2 5776   0.704  -0.766  -1.350
  408GLU      C 5777   0.438  -0.671  -1.900
  408GLU      O 5778   0.454  -0.564  -1.960
  409SER      N 5779   0.443  -0.788  -1.967
  409SER     HN 5780   0.432  -0.873  -1.914
  409SER     CA 5781   0.460  -0.798  -2.110
  409SER     HA 5782   0.540  -0.731  -2.138
  409SER     CB 5783   0.499  -0.942  -2.151
  409SER    HB1 5784   0.414  -1.012  -2.129
  409SER    HB2 5785   0.584  -0.974  -2.086
  409SER     OG 5786   0.539  -0.952  -2.287
  409SER    HG1 5787   0.460  -0.938  -2.342
  409SER      C 5788   0.340  -0.754  -2.192
  409SER      O 5789   0.353  -0.696  -2.299
  410GLN      N 5790   0.218  -0.785  -2.143
  410GLN     HN 5791   0.208  -0.832  -2.056
  410GLN     CA 5792   0.096  -0.760  -2.219
  410GLN     HA 5793   0.118  -0.763  -2.325
  410GLN     CB 5794  -0.008  -0.870  -2.188
  410GLN    HB1 5795  -0.108  -0.839  -2.227
  410GLN    HB2 5796  -0.016  -0.879  -2.077
  410GLN     CG 5797   0.027  -1.008  -2.251
  410GLN    HG1 5798   0.124  -1.043  -2.211
  410GLN    HG2 5799   0.035  -0.996  -2.361
  410GLN     CD 5800  -0.077  -1.115  -2.223
  410GLN    OE1 5801  -0.078  -1.225  -2.284
  410GLN    NE2 5802  -0.173  -1.092  -2.132
  410GLN   HE21 5803  -0.230  -1.163  -2.099
  410GLN   HE22 5804  -0.173  -0.998  -2.088
  410GLN      C 5805   0.033  -0.625  -2.193
  410GLN      O 5806  -0.043  -0.574  -2.276
  411SER      N 5807   0.066  -0.561  -2.080
  411SER     HN 5808   0.125  -0.605  -2.010
  411SER     CA 5809   0.011  -0.432  -2.044
  411SER     HA 5810  -0.018  -0.380  -2.134
  411SER     CB 5811  -0.116  -0.445  -1.955
  411SER    HB1 5812  -0.153  -0.346  -1.923
  411SER    HB2 5813  -0.090  -0.503  -1.863
  411SER     OG 5814  -0.221  -0.513  -2.025
  411SER    HG1 5815  -0.252  -0.456  -2.096
  411SER      C 5816   0.114  -0.342  -1.977
  411SER      O 5817   0.089  -0.296  -1.866
  412PRO      N 5818   0.227  -0.307  -2.039
  412PRO     CD 5819   0.263  -0.342  -2.177
  412PRO    HD1 5820   0.179  -0.321  -2.247
  412PRO    HD2 5821   0.292  -0.449  -2.181
  412PRO     CA 5822   0.331  -0.227  -1.974
  412PRO     HA 5823   0.352  -0.266  -1.875
  412PRO     CB 5824   0.450  -0.237  -2.071
  412PRO    HB1 5825   0.508  -0.329  -2.045
  412PRO    HB2 5826   0.519  -0.150  -2.066
  412PRO     CG 5827   0.386  -0.256  -2.209
  412PRO    HG1 5828   0.353  -0.157  -2.249
  412PRO    HG2 5829   0.452  -0.306  -2.283
  412PRO      C 5830   0.289  -0.082  -1.958
  412PRO      O 5831   0.346  -0.012  -1.875
  413ASN      N 5832   0.193  -0.036  -2.039
  413ASN     HN 5833   0.151  -0.099  -2.104
  413ASN     CA 5834   0.148   0.102  -2.043
  413ASN     HA 5835   0.227   0.166  -2.004
  413ASN     CB 5836   0.112   0.144  -2.188
  413ASN    HB1 5837   0.083   0.251  -2.192
  413ASN    HB2 5838   0.027   0.083  -2.227
  413ASN     CG 5839   0.230   0.122  -2.283
  413ASN    OD1 5840   0.224   0.042  -2.376
  413ASN    ND2 5841   0.343   0.192  -2.258
  413ASN   HD21 5842   0.422   0.176  -2.316
  413ASN   HD22 5843   0.354   0.244  -2.172
  413ASN      C 5844   0.028   0.122  -1.952
  413ASN      O 5845  -0.038   0.225  -1.956
  414ALA      N 5846  -0.002   0.021  -1.867
  414ALA     HN 5847   0.054  -0.062  -1.867
  414ALA     CA 5848  -0.092   0.031  -1.755
  414ALA     HA 5849  -0.188   0.062  -1.793
  414ALA     CB 5850  -0.104  -0.105  -1.685
  414ALA    HB1 5851  -0.005  -0.142  -1.651
  414ALA    HB2 5852  -0.147  -0.181  -1.755
  414ALA    HB3 5853  -0.171  -0.099  -1.597
  414ALA      C 5854  -0.045   0.136  -1.654
  414ALA      O 5855   0.073   0.159  -1.635
  415LYS      N 5856  -0.140   0.203  -1.587
  415LYS     HN 5857  -0.237   0.182  -1.596
  415LYS     CA 5858  -0.102   0.305  -1.492
  415LYS     HA 5859  -0.021   0.267  -1.431
  415LYS     CB 5860  -0.060   0.439  -1.558
  415LYS    HB1 5861   0.026   0.419  -1.626
  415LYS    HB2 5862  -0.022   0.507  -1.479
  415LYS     CG 5863  -0.169   0.513  -1.637
  415LYS    HG1 5864  -0.260   0.525  -1.575
  415LYS    HG2 5865  -0.196   0.453  -1.727
  415LYS     CD 5866  -0.119   0.652  -1.679
  415LYS    HD1 5867  -0.032   0.639  -1.747
  415LYS    HD2 5868  -0.080   0.703  -1.587
  415LYS     CE 5869  -0.227   0.738  -1.744
  415LYS    HE1 5870  -0.316   0.744  -1.678
  415LYS    HE2 5871  -0.258   0.693  -1.842
  415LYS     NZ 5872  -0.177   0.874  -1.768
  415LYS    HZ1 5873  -0.090   0.871  -1.825
  415LYS    HZ2 5874  -0.152   0.918  -1.676
  415LYS    HZ3 5875  -0.249   0.932  -1.815
  415LYS      C 5876  -0.217   0.330  -1.398
  415LYS      O 5877  -0.333   0.299  -1.426
  416VAL      N 5878  -0.186   0.393  -1.284
  416VAL     HN 5879  -0.090   0.417  -1.265
  416VAL     CA 5880  -0.284   0.442  -1.190
  416VAL     HA 5881  -0.384   0.429  -1.231
  416VAL     CB 5882  -0.278   0.371  -1.055
  416VAL     HB 5883  -0.283   0.261  -1.076
  416VAL    CG1 5884  -0.146   0.398  -0.981
  416VAL   HG11 5885  -0.138   0.504  -0.950
  416VAL   HG12 5886  -0.059   0.372  -1.045
  416VAL   HG13 5887  -0.141   0.335  -0.889
  416VAL    CG2 5888  -0.401   0.408  -0.969
  416VAL   HG21 5889  -0.496   0.389  -1.023
  416VAL   HG22 5890  -0.398   0.515  -0.938
  416VAL   HG23 5891  -0.402   0.347  -0.876
  416VAL      C 5892  -0.260   0.591  -1.179
  416VAL      O 5893  -0.148   0.640  -1.191
  417THR      N 5894  -0.368   0.669  -1.163
  417THR     HN 5895  -0.459   0.629  -1.155
  417THR     CA 5896  -0.354   0.812  -1.137
  417THR     HA 5897  -0.252   0.835  -1.110
  417THR     CB 5898  -0.393   0.901  -1.255
  417THR     HB 5899  -0.500   0.883  -1.282
  417THR    OG1 5900  -0.312   0.871  -1.368
  417THR    HG1 5901  -0.315   0.775  -1.373
  417THR    CG2 5902  -0.372   1.049  -1.223
  417THR   HG21 5903  -0.267   1.068  -1.190
  417THR   HG22 5904  -0.440   1.084  -1.143
  417THR   HG23 5905  -0.390   1.111  -1.313
  417THR      C 5906  -0.439   0.845  -1.018
  417THR      O 5907  -0.559   0.820  -1.018
  418PHE      N 5908  -0.377   0.903  -0.915
  418PHE     HN 5909  -0.280   0.926  -0.921
  418PHE     CA 5910  -0.444   0.952  -0.796
  418PHE     HA 5911  -0.547   0.917  -0.794
  418PHE     CB 5912  -0.372   0.912  -0.664
  418PHE    HB1 5913  -0.426   0.951  -0.576
  418PHE    HB2 5914  -0.269   0.954  -0.663
  418PHE     CG 5915  -0.362   0.763  -0.651
  418PHE    CD1 5916  -0.474   0.688  -0.611
  418PHE    HD1 5917  -0.568   0.738  -0.594
  418PHE    CE1 5918  -0.466   0.550  -0.594
  418PHE    HE1 5919  -0.553   0.493  -0.563
  418PHE     CZ 5920  -0.344   0.484  -0.615
  418PHE     HZ 5921  -0.336   0.378  -0.600
  418PHE    CD2 5922  -0.240   0.696  -0.670
  418PHE    HD2 5923  -0.152   0.752  -0.698
  418PHE    CE2 5924  -0.231   0.557  -0.653
  418PHE    HE2 5925  -0.137   0.506  -0.667
  418PHE      C 5926  -0.445   1.102  -0.807
  418PHE      O 5927  -0.353   1.163  -0.865
  419SER      N 5928  -0.548   1.169  -0.757
  419SER     HN 5929  -0.626   1.122  -0.712
  419SER     CA 5930  -0.551   1.314  -0.761
  419SER     HA 5931  -0.453   1.348  -0.729
  419SER     CB 5932  -0.583   1.373  -0.902
  419SER    HB1 5933  -0.500   1.345  -0.970
  419SER    HB2 5934  -0.587   1.484  -0.899
  419SER     OG 5935  -0.704   1.321  -0.957
  419SER    HG1 5936  -0.696   1.225  -0.950
  419SER      C 5937  -0.648   1.365  -0.659
  419SER      O 5938  -0.725   1.291  -0.601
  420ASN      N 5939  -0.643   1.497  -0.630
  420ASN     HN 5940  -0.570   1.551  -0.672
  420ASN     CA 5941  -0.746   1.567  -0.553
  420ASN     HA 5942  -0.712   1.669  -0.546
  420ASN     CB 5943  -0.882   1.563  -0.629
  420ASN    HB1 5944  -0.928   1.463  -0.617
  420ASN    HB2 5945  -0.863   1.578  -0.737
  420ASN     CG 5946  -0.982   1.670  -0.585
  420ASN    OD1 5947  -0.951   1.773  -0.525
  420ASN    ND2 5948  -1.111   1.646  -0.619
  420ASN   HD21 5949  -1.133   1.559  -0.665
  420ASN   HD22 5950  -1.184   1.696  -0.571
  420ASN      C 5951  -0.759   1.517  -0.410
  420ASN      O 5952  -0.868   1.496  -0.359
  421ILE      N 5953  -0.645   1.498  -0.341
  421ILE     HN 5954  -0.556   1.510  -0.384
  421ILE     CA 5955  -0.644   1.460  -0.201
  421ILE     HA 5956  -0.711   1.375  -0.190
  421ILE     CB 5957  -0.506   1.412  -0.154
  421ILE     HB 5958  -0.431   1.490  -0.179
  421ILE    CG2 5959  -0.506   1.391  -0.000
  421ILE   HG21 5960  -0.590   1.325   0.029
  421ILE   HG22 5961  -0.516   1.487   0.055
  421ILE   HG23 5962  -0.411   1.344   0.033
  421ILE    CG1 5963  -0.468   1.281  -0.229
  421ILE   HG11 5964  -0.492   1.291  -0.337
  421ILE   HG12 5965  -0.532   1.199  -0.189
  421ILE     CD 5966  -0.320   1.244  -0.215
  421ILE    HD1 5967  -0.291   1.234  -0.109
  421ILE    HD2 5968  -0.255   1.321  -0.262
  421ILE    HD3 5969  -0.301   1.146  -0.265
  421ILE      C 5970  -0.699   1.570  -0.112
  421ILE      O 5971  -0.655   1.686  -0.118
  422LYS      N 5972  -0.797   1.537  -0.028
  422LYS     HN 5973  -0.832   1.442  -0.026
  422LYS     CA 5974  -0.858   1.631   0.062
  422LYS     HA 5975  -0.789   1.711   0.082
  422LYS     CB 5976  -0.994   1.686   0.012
  422LYS    HB1 5977  -1.023   1.770   0.079
  422LYS    HB2 5978  -1.072   1.607   0.020
  422LYS     CG 5979  -0.995   1.732  -0.135
  422LYS    HG1 5980  -0.981   1.643  -0.199
  422LYS    HG2 5981  -0.908   1.799  -0.155
  422LYS     CD 5982  -1.125   1.802  -0.179
  422LYS    HD1 5983  -1.209   1.729  -0.167
  422LYS    HD2 5984  -1.116   1.825  -0.287
  422LYS     CE 5985  -1.158   1.930  -0.100
  422LYS    HE1 5986  -1.075   2.003  -0.108
  422LYS    HE2 5987  -1.175   1.906   0.007
  422LYS     NZ 5988  -1.281   1.992  -0.151
  422LYS    HZ1 5989  -1.360   1.925  -0.139
  422LYS    HZ2 5990  -1.271   2.015  -0.252
  422LYS    HZ3 5991  -1.307   2.079  -0.099
  422LYS      C 5992  -0.881   1.556   0.191
  422LYS      O 5993  -0.921   1.442   0.194
  423PHE      N 5994  -0.849   1.624   0.304
  423PHE     HN 5995  -0.812   1.716   0.300
  423PHE     CA 5996  -0.854   1.562   0.433
  423PHE     HA 5997  -0.926   1.480   0.433
  423PHE     CB 5998  -0.713   1.506   0.467
  423PHE    HB1 5999  -0.637   1.584   0.444
  423PHE    HB2 6000  -0.692   1.418   0.403
  423PHE     CG 6001  -0.697   1.465   0.611
  423PHE    CD1 6002  -0.751   1.343   0.657
  423PHE    HD1 6003  -0.805   1.279   0.588
  423PHE    CE1 6004  -0.735   1.304   0.790
  423PHE    HE1 6005  -0.776   1.211   0.824
  423PHE     CZ 6006  -0.664   1.387   0.879
  423PHE     HZ 6007  -0.651   1.355   0.981
  423PHE    CD2 6008  -0.626   1.546   0.701
  423PHE    HD2 6009  -0.583   1.639   0.665
  423PHE    CE2 6010  -0.609   1.508   0.834
  423PHE    HE2 6011  -0.552   1.569   0.902
  423PHE      C 6012  -0.906   1.663   0.532
  423PHE      O 6013  -0.858   1.778   0.537
  424GLY      N 6014  -1.006   1.629   0.613
  424GLY     HN 6015  -1.046   1.536   0.611
  424GLY     CA 6016  -1.059   1.722   0.711
  424GLY    HA1 6017  -1.123   1.792   0.660
  424GLY    HA2 6018  -0.978   1.768   0.765
  424GLY      C 6019  -1.144   1.643   0.808
  424GLY      O 6020  -1.153   1.524   0.795
  425PRO      N 6021  -1.207   1.711   0.905
  425PRO     CD 6022  -1.178   1.849   0.941
  425PRO    HD1 6023  -1.219   1.917   0.863
  425PRO    HD2 6024  -1.069   1.865   0.954
  425PRO     CA 6025  -1.322   1.658   0.979
  425PRO     HA 6026  -1.283   1.581   1.044
  425PRO     CB 6027  -1.376   1.780   1.054
  425PRO    HB1 6028  -1.423   1.751   1.151
  425PRO    HB2 6029  -1.450   1.835   0.992
  425PRO     CG 6030  -1.252   1.868   1.074
  425PRO    HG1 6031  -1.277   1.974   1.095
  425PRO    HG2 6032  -1.191   1.826   1.157
  425PRO      C 6033  -1.429   1.592   0.895
  425PRO      O 6034  -1.442   1.624   0.776
  426ILE      N 6035  -1.509   1.502   0.953
  426ILE     HN 6036  -1.495   1.480   1.049
  426ILE     CA 6037  -1.620   1.437   0.884
  426ILE     HA 6038  -1.578   1.389   0.796
  426ILE     CB 6039  -1.684   1.327   0.968
  426ILE     HB 6040  -1.715   1.371   1.065
  426ILE    CG2 6041  -1.810   1.270   0.901
  426ILE   HG21 6042  -1.784   1.229   0.801
  426ILE   HG22 6043  -1.890   1.346   0.888
  426ILE   HG23 6044  -1.854   1.187   0.961
  426ILE    CG1 6045  -1.579   1.217   0.995
  426ILE   HG11 6046  -1.483   1.261   1.030
  426ILE   HG12 6047  -1.557   1.166   0.899
  426ILE     CD 6048  -1.622   1.114   1.099
  426ILE    HD1 6049  -1.713   1.059   1.066
  426ILE    HD2 6050  -1.642   1.162   1.197
  426ILE    HD3 6051  -1.541   1.040   1.113
  426ILE      C 6052  -1.724   1.535   0.832
  426ILE      O 6053  -1.781   1.614   0.909
  427GLY      N 6054  -1.751   1.532   0.700
  427GLY     HN 6055  -1.702   1.466   0.641
  427GLY     CA 6056  -1.845   1.621   0.633
  427GLY    HA1 6057  -1.927   1.643   0.700
  427GLY    HA2 6058  -1.876   1.572   0.542
  427GLY      C 6059  -1.784   1.752   0.593
  427GLY      O 6060  -1.855   1.854   0.580
  428SER      N 6061  -1.651   1.758   0.572
  428SER     HN 6062  -1.597   1.674   0.581
  428SER     CA 6063  -1.585   1.882   0.533
  428SER     HA 6064  -1.659   1.960   0.523
  428SER     CB 6065  -1.482   1.933   0.638
  428SER    HB1 6066  -1.533   1.942   0.737
  428SER    HB2 6067  -1.447   2.034   0.609
  428SER     OG 6068  -1.369   1.848   0.651
  428SER    HG1 6069  -1.401   1.763   0.688
  428SER      C 6070  -1.516   1.875   0.400
  428SER      O 6071  -1.481   1.980   0.343
  429THR      N 6072  -1.497   1.756   0.340
  429THR     HN 6073  -1.529   1.670   0.384
  429THR     CA 6074  -1.413   1.743   0.221
  429THR     HA 6075  -1.339   1.821   0.223
  429THR     CB 6076  -1.336   1.612   0.214
  429THR     HB 6077  -1.277   1.606   0.120
  429THR    OG1 6078  -1.422   1.498   0.219
  429THR    HG1 6079  -1.467   1.498   0.306
  429THR    CG2 6080  -1.237   1.603   0.331
  429THR   HG21 6081  -1.291   1.602   0.429
  429THR   HG22 6082  -1.167   1.688   0.331
  429THR   HG23 6083  -1.179   1.508   0.325
  429THR      C 6084  -1.490   1.763   0.093
  429THR      O 6085  -1.432   1.776  -0.016
  430GLY      N 6086  -1.624   1.776   0.102
  430GLY     HN 6087  -1.668   1.761   0.192
  430GLY     CA 6088  -1.710   1.815  -0.009
  430GLY    HA1 6089  -1.812   1.795   0.020
  430GLY    HA2 6090  -1.680   1.762  -0.098
  430GLY      C 6091  -1.702   1.962  -0.036
  430GLY      O 6092  -1.715   2.007  -0.151
  431ASN      N 6093  -1.680   2.041   0.069
  431ASN     HN 6094  -1.665   1.999   0.158
  431ASN     CA 6095  -1.676   2.186   0.067
  431ASN     HA 6096  -1.771   2.214   0.023
  431ASN     CB 6097  -1.668   2.244   0.211
  431ASN    HB1 6098  -1.670   2.355   0.207
  431ASN    HB2 6099  -1.573   2.212   0.259
  431ASN     CG 6100  -1.789   2.200   0.292
  431ASN    OD1 6101  -1.902   2.193   0.245
  431ASN    ND2 6102  -1.766   2.165   0.421
  431ASN   HD21 6103  -1.844   2.125   0.471
  431ASN   HD22 6104  -1.675   2.171   0.458
  431ASN      C 6105  -1.564   2.241  -0.024
  431ASN      O 6106  -1.460   2.174  -0.038
  432PRO      N 6107  -1.582   2.355  -0.091
  432PRO     CD 6108  -1.700   2.442  -0.076
  432PRO    HD1 6109  -1.696   2.491   0.024
  432PRO    HD2 6110  -1.795   2.386  -0.088
  432PRO     CA 6111  -1.486   2.414  -0.184
  432PRO     HA 6112  -1.497   2.356  -0.275
  432PRO     CB 6113  -1.535   2.559  -0.203
  432PRO    HB1 6114  -1.505   2.601  -0.301
  432PRO    HB2 6115  -1.495   2.623  -0.121
  432PRO     CG 6116  -1.686   2.547  -0.186
  432PRO    HG1 6117  -1.734   2.643  -0.158
  432PRO    HG2 6118  -1.732   2.508  -0.280
  432PRO      C 6119  -1.338   2.407  -0.151
  432PRO      O 6120  -1.297   2.436  -0.039
  433SER      N 6121  -1.255   2.369  -0.249
  433SER     HN 6122  -1.291   2.343  -0.338
  433SER     CA 6123  -1.111   2.379  -0.239
  433SER     HA 6124  -1.081   2.332  -0.146
  433SER     CB 6125  -1.039   2.306  -0.354
  433SER    HB1 6126  -0.929   2.313  -0.340
  433SER    HB2 6127  -1.064   2.355  -0.451
  433SER     OG 6128  -1.078   2.168  -0.360
  433SER    HG1 6129  -1.018   2.131  -0.426
  433SER      C 6130  -1.060   2.522  -0.235
  433SER      O 6131  -1.117   2.610  -0.303
  434GLY      N 6132  -0.952   2.549  -0.161
  434GLY     HN 6133  -0.903   2.476  -0.112
  434GLY     CA 6134  -0.886   2.679  -0.153
  434GLY    HA1 6135  -0.918   2.727  -0.061
  434GLY    HA2 6136  -0.910   2.737  -0.241
  434GLY      C 6137  -0.733   2.661  -0.149
  434GLY    OT1 6138  -0.679   2.585  -0.234
  434GLY    OT2 6139  -0.666   2.723  -0.062
    1BGLC    C1 6140  -0.706  -1.426   0.189
    1BGLC    H1 6141  -0.691  -1.434   0.299
    1BGLC    O1 6142  -0.753  -1.549   0.139
    1BGLC   HO1 6143  -0.691  -1.613   0.175
    1BGLC    C5 6144  -0.763  -1.201   0.224
    1BGLC    H5 6145  -0.746  -1.222   0.333
    1BGLC    O5 6146  -0.799  -1.324   0.157
    1BGLC    C2 6147  -0.576  -1.389   0.119
    1BGLC    H2 6148  -0.600  -1.378   0.011
    1BGLC    O2 6149  -0.473  -1.490   0.129
    1BGLC   HO2 6150  -0.395  -1.450   0.090
    1BGLC    C3 6151  -0.524  -1.255   0.167
    1BGLC    H3 6152  -0.490  -1.267   0.273
    1BGLC    O3 6153  -0.411  -1.215   0.089
    1BGLC   HO3 6154  -0.374  -1.134   0.128
    1BGLC    C4 6155  -0.632  -1.148   0.166
    1BGLC    H4 6156  -0.653  -1.116   0.062
    1BGLC    O4 6157  -0.590  -1.038   0.247
    1BGLC    C6 6158  -0.880  -1.105   0.218
    1BGLC   H61 6159  -0.855  -1.011   0.274
    1BGLC   H62 6160  -0.967  -1.150   0.271
    1BGLC    O6 6161  -0.922  -1.072   0.085
    1BGLC   HO6 6162  -0.990  -1.003   0.096
    2BGLC    C1 6163  -0.523  -0.933   0.181
    2BGLC    H1 6164  -0.555  -0.926   0.075
    2BGLC    C5 6165  -0.309  -0.850   0.119
    2BGLC    H5 6166  -0.350  -0.843   0.016
    2BGLC    O5 6167  -0.381  -0.953   0.190
    2BGLC    C2 6168  -0.556  -0.803   0.252
    2BGLC    H2 6169  -0.521  -0.812   0.357
    2BGLC    O2 6170  -0.698  -0.783   0.254
    2BGLC   HO2 6171  -0.727  -0.789   0.347
    2BGLC    C3 6172  -0.481  -0.687   0.188
    2BGLC    H3 6173  -0.516  -0.678   0.082
    2BGLC    O3 6174  -0.512  -0.566   0.255
    2BGLC   HO3 6175  -0.484  -0.482   0.213
    2BGLC    C4 6176  -0.332  -0.715   0.188
    2BGLC    H4 6177  -0.295  -0.721   0.293
    2BGLC    O4 6178  -0.257  -0.617   0.115
    2BGLC    C6 6179  -0.164  -0.891   0.108
    2BGLC   H61 6180  -0.116  -0.886   0.208
    2BGLC   H62 6181  -0.109  -0.821   0.041
    2BGLC    O6 6182  -0.149  -1.025   0.058
    2BGLC   HO6 6183  -0.169  -1.026  -0.036
    3BGLC    C1 6184  -0.204  -0.507   0.187
    3BGLC    H1 6185  -0.270  -0.482   0.273
    3BGLC    C5 6186  -0.098  -0.309   0.089
    3BGLC    H5 6187  -0.089  -0.248   0.182
    3BGLC    O5 6188  -0.212  -0.395   0.097
    3BGLC    C2 6189  -0.066  -0.548   0.243
    3BGLC    H2 6190  -0.044  -0.647   0.196
    3BGLC    O2 6191  -0.069  -0.573   0.384
    3BGLC   HO2 6192  -0.078  -0.488   0.432
    3BGLC    C3 6193   0.052  -0.461   0.204
    3BGLC    H3 6194   0.064  -0.380   0.281
    3BGLC    O3 6195   0.174  -0.537   0.204
    3BGLC   HO3 6196   0.233  -0.503   0.275
    3BGLC    C4 6197   0.026  -0.394   0.072
    3BGLC    H4 6198   0.003  -0.473  -0.004
    3BGLC    O4 6199   0.134  -0.311   0.027
    3BGLC    C6 6200  -0.125  -0.213  -0.026
    3BGLC   H61 6201  -0.036  -0.151  -0.047
    3BGLC   H62 6202  -0.207  -0.145   0.005
    3BGLC    O6 6203  -0.165  -0.282  -0.145
    3BGLC   HO6 6204  -0.243  -0.332  -0.116
    4BGLC    C1 6205   0.197  -0.364  -0.087
    4BGLC    H1 6206   0.121  -0.390  -0.165
    4BGLC    C5 6207   0.327  -0.548  -0.162
    4BGLC    H5 6208   0.244  -0.573  -0.232
    4BGLC    O5 6209   0.277  -0.476  -0.050
    4BGLC    C2 6210   0.295  -0.262  -0.140
    4BGLC    H2 6211   0.368  -0.243  -0.058
    4BGLC    O2 6212   0.232  -0.136  -0.172
    4BGLC   HO2 6213   0.211  -0.093  -0.087
    4BGLC    C3 6214   0.368  -0.321  -0.259
    4BGLC    H3 6215   0.291  -0.336  -0.339
    4BGLC    O3 6216   0.469  -0.234  -0.310
    4BGLC   HO3 6217   0.485  -0.262  -0.401
    4BGLC    C4 6218   0.428  -0.457  -0.230
    4BGLC    H4 6219   0.514  -0.444  -0.160
    4BGLC    O4 6220   0.472  -0.513  -0.355
    4BGLC    C6 6221   0.385  -0.675  -0.105
    4BGLC   H61 6222   0.461  -0.651  -0.027
    4BGLC   H62 6223   0.435  -0.734  -0.185
    4BGLC    O6 6224   0.284  -0.758  -0.046
    4BGLC   HO6 6225   0.243  -0.707   0.026
    5BGLC    C1 6226   0.604  -0.561  -0.357
    5BGLC    H1 6227   0.613  -0.648  -0.289
    5BGLC    C5 6228   0.831  -0.509  -0.321
    5BGLC    H5 6229   0.835  -0.609  -0.272
    5BGLC    O5 6230   0.697  -0.459  -0.319
    5BGLC    C2 6231   0.632  -0.605  -0.501
    5BGLC    H2 6232   0.607  -0.518  -0.567
    5BGLC    O2 6233   0.549  -0.715  -0.541
    5BGLC   HO2 6234   0.486  -0.690  -0.611
    5BGLC    C3 6235   0.779  -0.638  -0.521
    5BGLC    H3 6236   0.801  -0.731  -0.463
    5BGLC    O3 6237   0.809  -0.668  -0.658
    5BGLC   HO3 6238   0.749  -0.736  -0.689
    5BGLC    C4 6239   0.866  -0.527  -0.468
    5BGLC    H4 6240   0.842  -0.434  -0.524
    5BGLC    O4 6241   1.006  -0.558  -0.479
    5BGLC    C6 6242   0.925  -0.419  -0.242
    5BGLC   H61 6243   0.919  -0.315  -0.283
    5BGLC   H62 6244   1.029  -0.455  -0.255
    5BGLC    O6 6245   0.895  -0.417  -0.102
    5BGLC   HO6 6246   0.904  -0.507  -0.064
    6BGLC    C1 6247   1.080  -0.454  -0.537
    6BGLC    H1 6248   1.051  -0.357  -0.489
    6BGLC    C5 6249   1.116  -0.331  -0.735
    6BGLC    H5 6250   1.080  -0.243  -0.677
    6BGLC    O5 6251   1.058  -0.449  -0.678
    6BGLC    C2 6252   1.228  -0.479  -0.519
    6BGLC    H2 6253   1.253  -0.571  -0.577
    6BGLC    O2 6254   1.265  -0.501  -0.382
    6BGLC   HO2 6255   1.326  -0.575  -0.380
    6BGLC    C3 6256   1.307  -0.363  -0.578
    6BGLC    H3 6257   1.279  -0.272  -0.521
    6BGLC    O3 6258   1.449  -0.381  -0.566
    6BGLC   HO3 6259   1.489  -0.298  -0.598
    6BGLC    C4 6260   1.267  -0.341  -0.722
    6BGLC    H4 6261   1.301  -0.427  -0.784
    6BGLC    O4 6262   1.320  -0.218  -0.770
    6BGLC    C6 6263   1.064  -0.313  -0.877
    6BGLC   H61 6264   1.076  -0.206  -0.908
    6BGLC   H62 6265   0.955  -0.336  -0.879
    6BGLC    O6 6266   1.132  -0.394  -0.974
    6BGLC   HO6 6267   1.212  -0.350  -1.004
    7BGLC    C1 6268   1.439  -0.224  -0.842
    7BGLC    H1 6269   1.446  -0.318  -0.902
    7BGLC    C5 6270   1.676  -0.215  -0.824
    7BGLC    H5 6271   1.678  -0.305  -0.891
    7BGLC    O5 6272   1.551  -0.210  -0.753
    7BGLC    C2 6273   1.433  -0.103  -0.933
    7BGLC    H2 6274   1.407  -0.015  -0.869
    7BGLC    O2 6275   1.329  -0.120  -1.031
    7BGLC   HO2 6276   1.264  -0.048  -1.026
    7BGLC    C3 6277   1.566  -0.073  -1.000
    7BGLC    H3 6278   1.577  -0.147  -1.084
    7BGLC    O3 6279   1.564   0.058  -1.055
    7BGLC   HO3 6280   1.629   0.064  -1.126
    7BGLC    C4 6281   1.685  -0.090  -0.910
    7BGLC    H4 6282   1.692  -0.002  -0.841
    7BGLC    O4 6283   1.804  -0.102  -0.990
    7BGLC    C6 6284   1.789  -0.225  -0.724
    7BGLC   H61 6285   1.780  -0.140  -0.652
    7BGLC   H62 6286   1.887  -0.214  -0.777
    7BGLC    O6 6287   1.791  -0.347  -0.649
    7BGLC   HO6 6288   1.811  -0.421  -0.708
    8BGLC    C1 6289   1.890   0.009  -0.988
    8BGLC    H1 6290   1.909   0.041  -0.882
    8BGLC    C5 6291   1.921   0.232  -1.061
    8BGLC    H5 6292   1.942   0.255  -0.954
    8BGLC    O5 6293   1.838   0.116  -1.067
    8BGLC    C2 6294   2.020  -0.035  -1.053
    8BGLC    H2 6295   1.995  -0.071  -1.155
    8BGLC    O2 6296   2.079  -0.145  -0.981
    8BGLC   HO2 6297   2.138  -0.193  -1.042
    8BGLC    C3 6298   2.118   0.080  -1.066
    8BGLC    H3 6299   2.150   0.110  -0.964
    8BGLC    O3 6300   2.235   0.042  -1.139
    8BGLC   HO3 6301   2.299   0.114  -1.132
    8BGLC    C4 6302   2.053   0.201  -1.131
    8BGLC    H4 6303   2.031   0.176  -1.238
    8BGLC    O4 6304   2.138   0.315  -1.127
    8BGLC   HO4 6305   2.114   0.375  -1.199
    8BGLC    C6 6306   1.847   0.351  -1.118
    8BGLC   H61 6307   1.901   0.444  -1.090
    8BGLC   H62 6308   1.745   0.357  -1.073
    8BGLC    O6 6309   1.838   0.347  -1.261
    8BGLC   HO6 6310   1.773   0.279  -1.289
    1TIP3   OH2 6311  -3.158  -3.372  -3.629
    1TIP3    H1 6312  -3.161  -3.275  -3.620
    1TIP3    H2 6313  -3.237  -3.387  -3.684
    2TIP3   OH2 6314  -3.276  -3.423  -3.320
    2TIP3    H1 6315  -3.276  -3.477  -3.240
    2TIP3    H2 6316  -3.303  -3.487  -3.387
    3TIP3   OH2 6317  -4.028  -3.463  -3.156
    3TIP3    H1 6318  -4.033  -3.537  -3.092
    3TIP3    H2 6319  -3.959  -3.408  -3.116
    4TIP3   OH2 6320  -2.928  -3.166  -3.453
    4TIP3    H1 6321  -2.954  -3.233  -3.387
    4TIP3    H2 6322  -2.839  -3.141  -3.424
    5TIP3   OH2 6323  -3.959  -3.001  -3.307
    5TIP3    H1 6324  -3.988  -3.091  -3.332
    5TIP3    H2 6325  -3.867  -3.017  -3.283
    6TIP3   OH2 6326  -4.213  -3.615  -3.872
    6TIP3    H1 6327  -4.231  -3.533  -3.823
    6TIP3    H2 6328  -4.303  -3.641  -3.897
    7TIP3   OH2 6329  -4.206  -3.429  -3.604
    7TIP3    H1 6330  -4.188  -3.489  -3.530
    7TIP3    H2 6331  -4.121  -3.384  -3.615
    8TIP3   OH2 6332  -3.198  -2.738  -3.375
    8TIP3    H1 6333  -3.220  -2.687  -3.419
    8TIP3    H2 6334  -3.287  -2.757  -3.329
    9TIP3   OH2 6335  -3.425  -3.171  -3.266
    9TIP3    H1 6336  -3.392  -3.244  -3.319
    9TIP3    H2 6337  -3.345  -3.155  -3.211
   10TIP3   OH2 6338  -2.572  -4.016  -3.207
   10TIP3    H1 6339  -2.537  -3.974  -3.127
   10TIP3    H2 6340  -2.505  -3.987  -3.272
   11TIP3   OH2 6341  -3.098  -3.740  -3.212
   11TIP3    H1 6342  -3.078  -3.835  -3.209
   11TIP3    H2 6343  -3.106  -3.725  -3.307
   12TIP3   OH2 6344  -3.803  -3.941  -3.502
   12TIP3    H1 6345  -3.784  -3.857  -3.547
   12TIP3    H2 6346  -3.833  -3.995  -3.577
   13TIP3   OH2 6347  -3.013  -3.923  -3.671
   13TIP3    H1 6348  -2.953  -3.966  -3.607
   13TIP3    H2 6349  -2.949  -3.878  -3.728
   14TIP3   OH2 6350  -4.139  -3.663  -3.451
   14TIP3    H1 6351  -4.080  -3.705  -3.386
   14TIP3    H2 6352  -4.120  -3.717  -3.530
   15TIP3   OH2 6353  -3.592  -3.526  -3.509
   15TIP3    H1 6354  -3.521  -3.580  -3.469
   15TIP3    H2 6355  -3.643  -3.593  -3.557
   16TIP3   OH2 6356  -2.477  -3.848  -2.944
   16TIP3    H1 6357  -2.554  -3.797  -2.974
   16TIP3    H2 6358  -2.512  -3.888  -2.863
   17TIP3   OH2 6359  -3.917  -4.052  -3.082
   17TIP3    H1 6360  -3.957  -4.008  -3.159
   17TIP3    H2 6361  -3.987  -4.035  -3.015
   18TIP3   OH2 6362  -3.187  -3.111  -3.745
   18TIP3    H1 6363  -3.198  -3.122  -3.840
   18TIP3    H2 6364  -3.220  -3.022  -3.729
   19TIP3   OH2 6365  -3.626  -3.270  -3.078
   19TIP3    H1 6366  -3.698  -3.210  -3.050
   19TIP3    H2 6367  -3.563  -3.208  -3.118
   20TIP3   OH2 6368  -2.825  -4.012  -3.467
   20TIP3    H1 6369  -2.871  -4.061  -3.398
   20TIP3    H2 6370  -2.771  -3.950  -3.415
   21TIP3   OH2 6371  -3.958  -3.851  -3.295
   21TIP3    H1 6372  -3.894  -3.793  -3.250
   21TIP3    H2 6373  -3.902  -3.888  -3.366
   22TIP3   OH2 6374  -3.828  -3.084  -3.005
   22TIP3    H1 6375  -3.829  -2.990  -3.034
   22TIP3    H2 6376  -3.916  -3.089  -2.963
   23TIP3   OH2 6377  -4.183  -3.120  -3.917
   23TIP3    H1 6378  -4.261  -3.100  -3.973
   23TIP3    H2 6379  -4.196  -3.058  -3.842
   24TIP3   OH2 6380  -2.843  -2.960  -3.213
   24TIP3    H1 6381  -2.938  -2.970  -3.236
   24TIP3    H2 6382  -2.821  -2.885  -3.271
   25TIP3   OH2 6383  -2.808  -4.110  -3.066
   25TIP3    H1 6384  -2.888  -4.077  -3.110
   25TIP3    H2 6385  -2.742  -4.097  -3.136
   26TIP3   OH2 6386  -3.497   4.382  -3.359
   26TIP3    H1 6387  -3.500   4.286  -3.355
   26TIP3    H2 6388  -3.587   4.411  -3.334
   27TIP3   OH2 6389  -3.010  -2.683  -3.610
   27TIP3    H1 6390  -3.068  -2.749  -3.642
   27TIP3    H2 6391  -2.942  -2.674  -3.682
   28TIP3   OH2 6392  -2.838  -3.072  -3.688
   28TIP3    H1 6393  -2.922  -3.051  -3.699
   28TIP3    H2 6394  -2.835  -3.152  -3.647
   29TIP3   OH2 6395  -2.722  -3.105  -2.871
   29TIP3    H1 6396  -2.732  -3.169  -2.943
   29TIP3    H2 6397  -2.710  -3.021  -2.921
   30TIP3   OH2 6398  -3.292  -3.418  -3.906
   30TIP3    H1 6399  -3.359  -3.356  -3.941
   30TIP3    H2 6400  -3.219  -3.409  -3.969
   31TIP3   OH2 6401  -3.275  -3.594  -4.204
   31TIP3    H1 6402  -3.207  -3.562  -4.143
   31TIP3    H2 6403  -3.221  -3.655  -4.259
   32TIP3   OH2 6404  -2.546  -3.488  -3.077
   32TIP3    H1 6405  -2.618  -3.423  -3.068
   32TIP3    H2 6406  -2.498  -3.454  -3.155
   33TIP3   OH2 6407  -2.955  -3.462  -3.797
   33TIP3    H1 6408  -3.019  -3.431  -3.730
   33TIP3    H2 6409  -2.883  -3.497  -3.741
   34TIP3   OH2 6410  -2.961  -3.562  -2.911
   34TIP3    H1 6411  -2.954  -3.482  -2.856
   34TIP3    H2 6412  -3.024  -3.530  -2.977
   35TIP3   OH2 6413  -3.780  -3.335  -3.618
   35TIP3    H1 6414  -3.815  -3.380  -3.697
   35TIP3    H2 6415  -3.718  -3.402  -3.583
   36TIP3   OH2 6416  -3.644  -2.997  -3.345
   36TIP3    H1 6417  -3.658  -3.042  -3.428
   36TIP3    H2 6418  -3.566  -3.045  -3.308
   37TIP3   OH2 6419  -3.728  -3.453  -3.269
   37TIP3    H1 6420  -3.668  -3.453  -3.346
   37TIP3    H2 6421  -3.686  -3.389  -3.208
   38TIP3   OH2 6422  -3.129  -2.922  -3.197
   38TIP3    H1 6423  -3.123  -2.847  -3.134
   38TIP3    H2 6424  -3.152  -3.001  -3.151
   39TIP3   OH2 6425  -3.642  -3.025  -2.784
   39TIP3    H1 6426  -3.693  -2.958  -2.734
   39TIP3    H2 6427  -3.707  -3.050  -2.853
   40TIP3   OH2 6428  -3.040  -3.466  -4.062
   40TIP3    H1 6429  -2.998  -3.453  -3.974
   40TIP3    H2 6430  -2.972  -3.425  -4.120
   41TIP3   OH2 6431  -3.956  -3.390  -2.868
   41TIP3    H1 6432  -3.947  -3.329  -2.792
   41TIP3    H2 6433  -4.053  -3.393  -2.878
   42TIP3   OH2 6434  -3.290  -2.776  -3.693
   42TIP3    H1 6435  -3.285  -2.806  -3.602
   42TIP3    H2 6436  -3.377  -2.734  -3.699
   43TIP3   OH2 6437  -3.835  -2.810  -2.700
   43TIP3    H1 6438  -3.844  -2.804  -2.797
   43TIP3    H2 6439  -3.927  -2.826  -2.671
   44TIP3   OH2 6440  -2.717  -4.336  -4.128
   44TIP3    H1 6441  -2.763  -4.332  -4.043
   44TIP3    H2 6442  -2.651  -4.266  -4.114
   45TIP3   OH2 6443  -3.893  -3.464  -3.866
   45TIP3    H1 6444  -3.919  -3.387  -3.919
   45TIP3    H2 6445  -3.963  -3.527  -3.887
   46TIP3   OH2 6446  -2.534  -2.901  -4.310
   46TIP3    H1 6447  -2.508  -2.811  -4.287
   46TIP3    H2 6448  -2.489  -2.953  -4.241
   47TIP3   OH2 6449  -4.266  -3.181  -3.010
   47TIP3    H1 6450  -4.288  -3.214  -3.099
   47TIP3    H2 6451  -4.307  -3.249  -2.954
   48TIP3   OH2 6452  -4.281  -2.902  -3.313
   48TIP3    H1 6453  -4.196  -2.942  -3.293
   48TIP3    H2 6454  -4.301  -2.852  -3.233
   49TIP3   OH2 6455  -2.443  -2.842  -2.720
   49TIP3    H1 6456  -2.454  -2.938  -2.737
   49TIP3    H2 6457  -2.533  -2.818  -2.691
   50TIP3   OH2 6458  -3.378  -2.919  -2.841
   50TIP3    H1 6459  -3.369  -2.837  -2.786
   50TIP3    H2 6460  -3.468  -2.949  -2.816
   51TIP3   OH2 6461  -3.973  -2.628  -3.679
   51TIP3    H1 6462  -3.954  -2.667  -3.591
   51TIP3    H2 6463  -4.053  -2.678  -3.702
   52TIP3   OH2 6464  -2.963  -2.857  -3.893
   52TIP3    H1 6465  -2.950  -2.933  -3.951
   52TIP3    H2 6466  -2.890  -2.871  -3.832
   53TIP3   OH2 6467  -3.216  -2.477  -3.767
   53TIP3    H1 6468  -3.255  -2.547  -3.812
   53TIP3    H2 6469  -3.127  -2.517  -3.743
   54TIP3   OH2 6470  -2.763  -3.709  -2.680
   54TIP3    H1 6471  -2.814  -3.669  -2.752
   54TIP3    H2 6472  -2.756  -3.801  -2.709
   55TIP3   OH2 6473  -4.070  -3.041  -2.864
   55TIP3    H1 6474  -4.042  -3.097  -2.789
   55TIP3    H2 6475  -4.147  -3.091  -2.902
   56TIP3   OH2 6476  -3.752  -4.222  -3.273
   56TIP3    H1 6477  -3.838  -4.230  -3.317
   56TIP3    H2 6478  -3.764  -4.135  -3.230
   57TIP3   OH2 6479  -3.291  -4.261  -2.917
   57TIP3    H1 6480  -3.270  -4.310  -2.836
   57TIP3    H2 6481  -3.386  -4.278  -2.925
   58TIP3   OH2 6482  -2.995  -3.863  -2.876
   58TIP3    H1 6483  -3.051  -3.875  -2.797
   58TIP3    H2 6484  -2.999  -3.767  -2.892
   59TIP3   OH2 6485  -2.829  -3.383  -4.248
   59TIP3    H1 6486  -2.846  -3.411  -4.338
   59TIP3    H2 6487  -2.779  -3.301  -4.262
   60TIP3   OH2 6488  -3.329  -3.997  -4.213
   60TIP3    H1 6489  -3.384  -3.996  -4.133
   60TIP3    H2 6490  -3.378  -4.062  -4.266
   61TIP3   OH2 6491  -3.762  -3.715  -3.148
   61TIP3    H1 6492  -3.820  -3.703  -3.072
   61TIP3    H2 6493  -3.755  -3.624  -3.184
   62TIP3   OH2 6494  -3.769  -3.709  -3.659
   62TIP3    H1 6495  -3.865  -3.716  -3.677
   62TIP3    H2 6496  -3.733  -3.727  -3.748
   63TIP3   OH2 6497  -3.207  -3.657  -3.787
   63TIP3    H1 6498  -3.245  -3.573  -3.819
   63TIP3    H2 6499  -3.135  -3.670  -3.850
   64TIP3   OH2 6500  -3.287  -3.632  -2.650
   64TIP3    H1 6501  -3.338  -3.706  -2.611
   64TIP3    H2 6502  -3.200  -3.642  -2.606
   65TIP3   OH2 6503  -3.120  -3.712  -3.505
   65TIP3    H1 6504  -3.149  -3.655  -3.579
   65TIP3    H2 6505  -3.100  -3.793  -3.555
   66TIP3   OH2 6506  -4.026  -3.697  -2.965
   66TIP3    H1 6507  -3.995  -3.662  -2.881
   66TIP3    H2 6508  -4.052  -3.788  -2.941
   67TIP3   OH2 6509  -3.653  -3.961  -4.315
   67TIP3    H1 6510  -3.685  -3.987  -4.227
   67TIP3    H2 6511  -3.727  -3.908  -4.348
   68TIP3   OH2 6512  -4.321  -3.942  -3.601
   68TIP3    H1 6513  -4.303  -3.970  -3.510
   68TIP3    H2 6514  -4.287  -4.015  -3.653
   69TIP3   OH2 6515  -4.206  -3.894  -4.021
   69TIP3    H1 6516  -4.147  -3.868  -4.093
   69TIP3    H2 6517  -4.289  -3.851  -4.045
   70TIP3   OH2 6518  -3.215  -3.544  -3.060
   70TIP3    H1 6519  -3.168  -3.616  -3.109
   70TIP3    H2 6520  -3.243  -3.589  -2.980
   71TIP3   OH2 6521  -3.490  -3.941  -3.560
   71TIP3    H1 6522  -3.583  -3.961  -3.539
   71TIP3    H2 6523  -3.445  -3.973  -3.480
   72TIP3   OH2 6524  -4.040  -3.822  -3.695
   72TIP3    H1 6525  -4.115  -3.808  -3.755
   72TIP3    H2 6526  -4.003  -3.906  -3.730
   73TIP3   OH2 6527  -3.674  -3.786  -3.921
   73TIP3    H1 6528  -3.577  -3.784  -3.917
   73TIP3    H2 6529  -3.695  -3.727  -3.996
   74TIP3   OH2 6530  -3.056  -4.032  -3.256
   74TIP3    H1 6531  -3.119  -4.035  -3.181
   74TIP3    H2 6532  -3.114  -4.063  -3.327
   75TIP3   OH2 6533  -3.814  -3.672  -4.160
   75TIP3    H1 6534  -3.875  -3.722  -4.216
   75TIP3    H2 6535  -3.738  -3.657  -4.219
   76TIP3   OH2 6536  -2.751  -2.457  -2.590
   76TIP3    H1 6537  -2.725  -2.411  -2.672
   76TIP3    H2 6538  -2.685  -2.424  -2.528
   77TIP3   OH2 6539  -3.953  -3.197  -2.647
   77TIP3    H1 6540  -3.890  -3.192  -2.572
   77TIP3    H2 6541  -4.037  -3.184  -2.598
   78TIP3   OH2 6542  -3.388  -3.693  -3.375
   78TIP3    H1 6543  -3.317  -3.738  -3.422
   78TIP3    H2 6544  -3.405  -3.756  -3.301
   79TIP3   OH2 6545  -3.877  -4.060  -3.754
   79TIP3    H1 6546  -3.921  -4.146  -3.742
   79TIP3    H2 6547  -3.791  -4.085  -3.790
   80TIP3   OH2 6548  -3.493  -3.849  -3.149
   80TIP3    H1 6549  -3.568  -3.788  -3.149
   80TIP3    H2 6550  -3.442  -3.823  -3.069
   81TIP3   OH2 6551  -3.477  -3.208  -3.961
   81TIP3    H1 6552  -3.553  -3.260  -3.994
   81TIP3    H2 6553  -3.495  -3.205  -3.864
   82TIP3   OH2 6554  -2.754  -3.294  -3.087
   82TIP3    H1 6555  -2.706  -3.239  -3.152
   82TIP3    H2 6556  -2.841  -3.305  -3.130
   83TIP3   OH2 6557  -3.061  -3.931  -4.189
   83TIP3    H1 6558  -3.159  -3.936  -4.186
   83TIP3    H2 6559  -3.039  -3.859  -4.127
   84TIP3   OH2 6560  -3.316  -3.210  -2.829
   84TIP3    H1 6561  -3.341  -3.240  -2.741
   84TIP3    H2 6562  -3.344  -3.116  -2.828
   85TIP3   OH2 6563  -3.000  -3.750  -3.990
   85TIP3    H1 6564  -2.915  -3.765  -3.943
   85TIP3    H2 6565  -2.986  -3.662  -4.028
   86TIP3   OH2 6566  -3.978  -3.280  -3.391
   86TIP3    H1 6567  -3.908  -3.286  -3.459
   86TIP3    H2 6568  -3.962  -3.360  -3.338
   87TIP3   OH2 6569  -3.234  -3.072  -4.064
   87TIP3    H1 6570  -3.266  -2.987  -4.030
   87TIP3    H2 6571  -3.309  -3.130  -4.041
   88TIP3   OH2 6572  -4.239  -3.426  -2.823
   88TIP3    H1 6573  -4.231  -3.492  -2.752
   88TIP3    H2 6574  -4.286  -3.476  -2.893
   89TIP3   OH2 6575  -3.541  -3.494  -2.653
   89TIP3    H1 6576  -3.574  -3.518  -2.741
   89TIP3    H2 6577  -3.447  -3.520  -2.661
   90TIP3   OH2 6578  -3.088  -2.950  -2.881
   90TIP3    H1 6579  -3.185  -2.940  -2.886
   90TIP3    H2 6580  -3.070  -2.924  -2.790
   91TIP3   OH2 6581  -2.530  -3.736  -4.001
   91TIP3    H1 6582  -2.594  -3.756  -4.071
   91TIP3    H2 6583  -2.518  -3.641  -4.018
   92TIP3   OH2 6584  -2.489  -3.141  -2.724
   92TIP3    H1 6585  -2.583  -3.118  -2.743
   92TIP3    H2 6586  -2.457  -3.158  -2.814
   93TIP3   OH2 6587  -2.725  -2.870  -4.054
   93TIP3    H1 6588  -2.810  -2.845  -4.091
   93TIP3    H2 6589  -2.663  -2.813  -4.100
   94TIP3   OH2 6590  -2.993  -3.359  -3.249
   94TIP3    H1 6591  -3.086  -3.372  -3.275
   94TIP3    H2 6592  -2.950  -3.432  -3.299
   95TIP3   OH2 6593  -3.726  -2.942  -3.663
   95TIP3    H1 6594  -3.688  -2.854  -3.656
   95TIP3    H2 6595  -3.821  -2.922  -3.672
   96TIP3   OH2 6596  -4.149  -3.463  -4.168
   96TIP3    H1 6597  -4.078  -3.400  -4.143
   96TIP3    H2 6598  -4.222  -3.401  -4.183
   97TIP3   OH2 6599  -3.544  -3.170  -3.690
   97TIP3    H1 6600  -3.581  -3.082  -3.676
   97TIP3    H2 6601  -3.613  -3.226  -3.648
   98TIP3   OH2 6602  -3.528  -2.754  -3.056
   98TIP3    H1 6603  -3.480  -2.673  -3.078
   98TIP3    H2 6604  -3.466  -2.798  -2.995
   99TIP3   OH2 6605  -3.671  -2.617  -3.737
   99TIP3    H1 6606  -3.765  -2.636  -3.724
   99TIP3    H2 6607  -3.652  -2.562  -3.660
  100TIP3   OH2 6608  -3.187  -3.174  -3.099
  100TIP3    H1 6609  -3.213  -3.200  -3.009
  100TIP3    H2 6610  -3.112  -3.233  -3.116
  101TIP3   OH2 6611  -3.007  -3.064  -4.235
  101TIP3    H1 6612  -2.998  -3.160  -4.247
  101TIP3    H2 6613  -3.055  -3.060  -4.151
  102TIP3   OH2 6614  -2.892  -2.715  -2.858
  102TIP3    H1 6615  -2.967  -2.761  -2.901
  102TIP3    H2 6616  -2.882  -2.636  -2.914
  103TIP3   OH2 6617  -2.485  -2.602  -4.152
  103TIP3    H1 6618  -2.410  -2.539  -4.148
  103TIP3    H2 6619  -2.561  -2.540  -4.140
  104TIP3   OH2 6620  -4.106  -3.957  -2.889
  104TIP3    H1 6621  -4.196  -3.924  -2.906
  104TIP3    H2 6622  -4.124  -4.045  -2.849
  105TIP3   OH2 6623  -2.881  -3.184  -3.972
  105TIP3    H1 6624  -2.887  -3.253  -3.905
  105TIP3    H2 6625  -2.785  -3.166  -3.972
  106TIP3   OH2 6626  -4.128  -2.800  -3.046
  106TIP3    H1 6627  -4.108  -2.894  -3.033
  106TIP3    H2 6628  -4.097  -2.764  -2.962
  107TIP3   OH2 6629  -3.518  -2.935  -4.319
  107TIP3    H1 6630  -3.479  -3.017  -4.354
  107TIP3    H2 6631  -3.578  -2.971  -4.251
  108TIP3   OH2 6632  -3.665  -2.984  -4.076
  108TIP3    H1 6633  -3.616  -3.042  -4.015
  108TIP3    H2 6634  -3.643  -2.895  -4.043
  109TIP3   OH2 6635  -3.985  -3.247  -4.041
  109TIP3    H1 6636  -4.058  -3.208  -3.988
  109TIP3    H2 6637  -3.939  -3.166  -4.065
  110TIP3   OH2 6638  -3.216  -4.007  -3.026
  110TIP3    H1 6639  -3.152  -3.980  -2.959
  110TIP3    H2 6640  -3.250  -4.092  -2.992
  111TIP3   OH2 6641  -3.137  -4.049  -3.922
  111TIP3    H1 6642  -3.118  -3.990  -3.995
  111TIP3    H2 6643  -3.100  -4.001  -3.846
  112TIP3   OH2 6644  -3.369  -2.821  -4.015
  112TIP3    H1 6645  -3.455  -2.776  -4.010
  112TIP3    H2 6646  -3.322  -2.768  -4.081
  113TIP3   OH2 6647  -3.406  -3.851  -3.813
  113TIP3    H1 6648  -3.330  -3.790  -3.801
  113TIP3    H2 6649  -3.433  -3.867  -3.720
  114TIP3   OH2 6650  -3.370  -3.762  -2.899
  114TIP3    H1 6651  -3.361  -3.710  -2.817
  114TIP3    H2 6652  -3.312  -3.837  -2.883
  115TIP3   OH2 6653  -3.328  -4.171  -3.714
  115TIP3    H1 6654  -3.361  -4.097  -3.661
  115TIP3    H2 6655  -3.274  -4.126  -3.782
  116TIP3   OH2 6656  -3.638  -2.705  -4.020
  116TIP3    H1 6657  -3.653  -2.623  -4.069
  116TIP3    H2 6658  -3.667  -2.680  -3.930
  117TIP3   OH2 6659  -3.775  -4.044  -4.072
  117TIP3    H1 6660  -3.777  -3.965  -4.015
  117TIP3    H2 6661  -3.690  -4.083  -4.043
  118TIP3   OH2 6662  -2.732  -3.962  -2.818
  118TIP3    H1 6663  -2.828  -3.953  -2.828
  118TIP3    H2 6664  -2.710  -3.989  -2.908
  119TIP3   OH2 6665  -2.890  -3.574  -3.409
  119TIP3    H1 6666  -2.971  -3.620  -3.435
  119TIP3    H2 6667  -2.840  -3.644  -3.362
  120TIP3   OH2 6668  -3.931  -2.950  -4.155
  120TIP3    H1 6669  -3.845  -2.934  -4.113
  120TIP3    H2 6670  -3.903  -3.000  -4.234
  121TIP3   OH2 6671  -4.098  -3.730  -4.268
  121TIP3    H1 6672  -4.103  -3.640  -4.229
  121TIP3    H2 6673  -4.191  -3.750  -4.288
  122TIP3   OH2 6674  -2.791  -2.682  -3.269
  122TIP3    H1 6675  -2.798  -2.601  -3.322
  122TIP3    H2 6676  -2.698  -2.679  -3.242
  123TIP3   OH2 6677  -4.080  -4.236  -3.352
  123TIP3    H1 6678  -4.062  -4.250  -3.447
  123TIP3    H2 6679  -4.098  -4.326  -3.324
  124TIP3   OH2 6680  -4.133  -2.875  -3.744
  124TIP3    H1 6681  -4.227  -2.850  -3.736
  124TIP3    H2 6682  -4.109  -2.841  -3.831
  125TIP3   OH2 6683  -4.214  -2.605  -2.623
  125TIP3    H1 6684  -4.151  -2.604  -2.549
  125TIP3    H2 6685  -4.216  -2.701  -2.638
  126TIP3   OH2 6686  -3.728  -2.692  -2.451
  126TIP3    H1 6687  -3.658  -2.755  -2.429
  126TIP3    H2 6688  -3.750  -2.719  -2.541
  127TIP3   OH2 6689  -3.307  -2.754  -4.318
  127TIP3    H1 6690  -3.388  -2.809  -4.322
  127TIP3    H2 6691  -3.242  -2.820  -4.348
  128TIP3   OH2 6692  -3.080  -2.864  -2.592
  128TIP3    H1 6693  -3.117  -2.946  -2.554
  128TIP3    H2 6694  -3.010  -2.842  -2.527
  129TIP3   OH2 6695  -2.791  -2.246   3.901
  129TIP3    H1 6696  -2.858  -2.280   3.961
  129TIP3    H2 6697  -2.712  -2.250   3.957
  130TIP3   OH2 6698  -4.200  -3.201  -2.560
  130TIP3    H1 6699  -4.190  -3.288  -2.601
  130TIP3    H2 6700  -4.286  -3.172  -2.593
  131TIP3   OH2 6701  -3.772  -3.177  -4.311
  131TIP3    H1 6702  -3.763  -3.245  -4.243
  131TIP3    H2 6703  -3.702  -3.200  -4.373
  132TIP3   OH2 6704  -3.540  -3.216  -2.582
  132TIP3    H1 6705  -3.569  -3.183  -2.669
  132TIP3    H2 6706  -3.531  -3.312  -2.597
  133TIP3   OH2 6707  -3.259  -3.076  -4.351
  133TIP3    H1 6708  -3.229  -3.058  -4.260
  133TIP3    H2 6709  -3.192  -3.140  -4.380
  134TIP3   OH2 6710  -3.002  -3.254  -2.845
  134TIP3    H1 6711  -2.923  -3.201  -2.863
  134TIP3    H2 6712  -3.070  -3.185  -2.845
  135TIP3   OH2 6713  -4.135  -3.533  -2.583
  135TIP3    H1 6714  -4.053  -3.584  -2.597
  135TIP3    H2 6715  -4.121  -3.498  -2.494
  136TIP3   OH2 6716  -3.674  -3.383  -4.090
  136TIP3    H1 6717  -3.735  -3.429  -4.030
  136TIP3    H2 6718  -3.639  -3.457  -4.143
  137TIP3   OH2 6719  -3.751  -3.609  -2.857
  137TIP3    H1 6720  -3.804  -3.529  -2.838
  137TIP3    H2 6721  -3.684  -3.573  -2.917
  138TIP3   OH2 6722  -3.554  -3.572  -4.277
  138TIP3    H1 6723  -3.547  -3.601  -4.369
  138TIP3    H2 6724  -3.459  -3.576  -4.251
  139TIP3   OH2 6725  -3.220  -3.338  -2.502
  139TIP3    H1 6726  -3.129  -3.355  -2.530
  139TIP3    H2 6727  -3.243  -3.421  -2.458
  140TIP3   OH2 6728  -3.694  -3.881  -2.745
  140TIP3    H1 6729  -3.682  -3.944  -2.818
  140TIP3    H2 6730  -3.711  -3.799  -2.793
  141TIP3   OH2 6731  -3.651  -4.038  -3.003
  141TIP3    H1 6732  -3.599  -3.982  -3.064
  141TIP3    H2 6733  -3.743  -4.026  -3.036
  142TIP3   OH2 6734  -3.503  -3.489  -2.957
  142TIP3    H1 6735  -3.418  -3.497  -3.003
  142TIP3    H2 6736  -3.532  -3.400  -2.987
  143TIP3   OH2 6737  -3.045  -3.694  -2.480
  143TIP3    H1 6738  -3.024  -3.786  -2.462
  143TIP3    H2 6739  -2.957  -3.654  -2.482
  144TIP3   OH2 6740  -2.947  -3.415  -2.631
  144TIP3    H1 6741  -2.981  -3.353  -2.698
  144TIP3    H2 6742  -2.857  -3.430  -2.666
  145TIP3   OH2 6743  -3.882  -3.691  -2.566
  145TIP3    H1 6744  -3.928  -3.777  -2.565
  145TIP3    H2 6745  -3.797  -3.715  -2.607
  146TIP3   OH2 6746  -3.605  -4.277  -2.879
  146TIP3    H1 6747  -3.592  -4.187  -2.915
  146TIP3    H2 6748  -3.697  -4.291  -2.906
  147TIP3   OH2 6749  -3.457  -3.844  -2.586
  147TIP3    H1 6750  -3.487  -3.871  -2.497
  147TIP3    H2 6751  -3.538  -3.864  -2.636
  148TIP3   OH2 6752  -3.198  -3.945  -2.687
  148TIP3    H1 6753  -3.286  -3.931  -2.649
  148TIP3    H2 6754  -3.160  -4.010  -2.625
  149TIP3   OH2 6755  -3.029  -4.136  -2.520
  149TIP3    H1 6756  -3.038  -4.224  -2.480
  149TIP3    H2 6757  -3.039  -4.077  -2.443
  150TIP3   OH2 6758  -4.004  -3.951  -2.577
  150TIP3    H1 6759  -4.023  -4.018  -2.645
  150TIP3    H2 6760  -4.039  -3.993  -2.497
  151TIP3   OH2 6761  -3.495  -4.147  -2.474
  151TIP3    H1 6762  -3.517  -4.229  -2.522
  151TIP3    H2 6763  -3.580  -4.100  -2.471
  152TIP3   OH2 6764  -3.572  -2.404  -4.156
  152TIP3    H1 6765  -3.493  -2.456  -4.176
  152TIP3    H2 6766  -3.615  -2.392  -4.242
  153TIP3   OH2 6767  -4.189  -3.010  -4.239
  153TIP3    H1 6768  -4.105  -2.996  -4.191
  153TIP3    H2 6769  -4.177  -3.099  -4.275
  154TIP3   OH2 6770  -4.271  -2.690  -3.524
  154TIP3    H1 6771  -4.276  -2.780  -3.486
  154TIP3    H2 6772  -4.244  -2.640  -3.445
  155TIP3   OH2 6773  -2.516  -2.567  -3.219
  155TIP3    H1 6774  -2.499  -2.575  -3.124
  155TIP3    H2 6775  -2.428  -2.544  -3.252
  156TIP3   OH2 6776  -2.526  -2.628  -2.933
  156TIP3    H1 6777  -2.578  -2.704  -2.966
  156TIP3    H2 6778  -2.471  -2.673  -2.867
  157TIP3   OH2 6779  -2.726  -3.085  -2.503
  157TIP3    H1 6780  -2.814  -3.077  -2.462
  157TIP3    H2 6781  -2.681  -3.005  -2.472
  158TIP3   OH2 6782  -2.578  -3.217  -3.939
  158TIP3    H1 6783  -2.495  -3.169  -3.922
  158TIP3    H2 6784  -2.586  -3.268  -3.856
  159TIP3   OH2 6785  -2.543  -3.399  -3.728
  159TIP3    H1 6786  -2.606  -3.459  -3.684
  159TIP3    H2 6787  -2.471  -3.388  -3.662
  160TIP3   OH2 6788  -2.571  -3.150  -3.239
  160TIP3    H1 6789  -2.503  -3.197  -3.289
  160TIP3    H2 6790  -2.553  -3.057  -3.263
  161TIP3   OH2 6791  -2.693  -2.853  -3.008
  161TIP3    H1 6792  -2.767  -2.816  -2.956
  161TIP3    H2 6793  -2.741  -2.892  -3.084
  162TIP3   OH2 6794  -2.516  -3.435  -4.107
  162TIP3    H1 6795  -2.569  -3.397  -4.178
  162TIP3    H2 6796  -2.530  -3.366  -4.039
  163TIP3   OH2 6797  -2.695  -3.696  -4.221
  163TIP3    H1 6798  -2.656  -3.621  -4.270
  163TIP3    H2 6799  -2.647  -3.770  -4.259
  164TIP3   OH2 6800  -2.746  -3.585  -3.648
  164TIP3    H1 6801  -2.754  -3.679  -3.668
  164TIP3    H2 6802  -2.783  -3.579  -3.558
  165TIP3   OH2 6803  -4.257  -3.336  -3.254
  165TIP3    H1 6804  -4.222  -3.313  -3.341
  165TIP3    H2 6805  -4.177  -3.377  -3.213
  166TIP3   OH2 6806  -2.686  -3.393  -2.736
  166TIP3    H1 6807  -2.613  -3.455  -2.718
  166TIP3    H2 6808  -2.640  -3.310  -2.754
  167TIP3   OH2 6809  -2.531  -3.583  -2.615
  167TIP3    H1 6810  -2.610  -3.637  -2.637
  167TIP3    H2 6811  -2.461  -3.651  -2.616
  168TIP3   OH2 6812  -2.767  -4.028  -4.341
  168TIP3    H1 6813  -2.708  -4.042  -4.266
  168TIP3    H2 6814  -2.855  -4.045  -4.306
  169TIP3   OH2 6815  -2.769  -3.826  -3.835
  169TIP3    H1 6816  -2.749  -3.922  -3.827
  169TIP3    H2 6817  -2.685  -3.793  -3.872
  170TIP3   OH2 6818  -2.737  -3.772  -3.292
  170TIP3    H1 6819  -2.640  -3.767  -3.293
  170TIP3    H2 6820  -2.752  -3.776  -3.196
  171TIP3   OH2 6821  -2.723  -3.706  -3.007
  171TIP3    H1 6822  -2.807  -3.664  -2.980
  171TIP3    H2 6823  -2.668  -3.629  -3.028
  172TIP3   OH2 6824  -4.282  -3.838  -2.627
  172TIP3    H1 6825  -4.199  -3.880  -2.654
  172TIP3    H2 6826  -4.346  -3.911  -2.626
  173TIP3   OH2 6827  -2.508  -4.278  -2.429
  173TIP3    H1 6828  -2.453  -4.354  -2.450
  173TIP3    H2 6829  -2.503  -4.218  -2.507
  174TIP3   OH2 6830  -2.734  -4.097  -3.822
  174TIP3    H1 6831  -2.707  -4.147  -3.744
  174TIP3    H2 6832  -2.795  -4.160  -3.865
  175TIP3   OH2 6833  -4.194  -3.988  -3.337
  175TIP3    H1 6834  -4.162  -4.080  -3.330
  175TIP3    H2 6835  -4.114  -3.937  -3.314
  176TIP3   OH2 6836  -4.334  -3.727  -3.245
  176TIP3    H1 6837  -4.294  -3.777  -3.318
  176TIP3    H2 6838  -4.316  -3.636  -3.272
  177TIP3   OH2 6839  -2.527  -4.111  -2.645
  177TIP3    H1 6840  -2.612  -4.065  -2.636
  177TIP3    H2 6841  -2.537  -4.147  -2.735
  178TIP3   OH2 6842  -2.515  -4.072  -4.175
  178TIP3    H1 6843  -2.488  -4.146  -4.231
  178TIP3    H2 6844  -2.434  -4.019  -4.171
  179TIP3   OH2 6845  -4.315  -4.105  -3.887
  179TIP3    H1 6846  -4.398  -4.074  -3.926
  179TIP3    H2 6847  -4.253  -4.038  -3.924
  180TIP3   OH2 6848  -2.772  -2.560  -3.678
  180TIP3    H1 6849  -2.696  -2.565  -3.612
  180TIP3    H2 6850  -2.843  -2.523  -3.618
  181TIP3   OH2 6851  -4.292  -4.164  -3.053
  181TIP3    H1 6852  -4.351  -4.224  -3.002
  181TIP3    H2 6853  -4.329  -4.166  -3.142
  182TIP3   OH2 6854  -4.117  -2.863  -2.589
  182TIP3    H1 6855  -4.171  -2.924  -2.640
  182TIP3    H2 6856  -4.132  -2.896  -2.498
  183TIP3   OH2 6857  -3.803  -2.798  -2.998
  183TIP3    H1 6858  -3.834  -2.714  -3.035
  183TIP3    H2 6859  -3.707  -2.789  -3.016
  184TIP3   OH2 6860  -3.350  -2.670  -2.700
  184TIP3    H1 6861  -3.339  -2.685  -2.604
  184TIP3    H2 6862  -3.269  -2.621  -2.723
  185TIP3   OH2 6863  -3.118  -2.523  -2.776
  185TIP3    H1 6864  -3.050  -2.593  -2.788
  185TIP3    H2 6865  -3.091  -2.486  -2.690
  186TIP3   OH2 6866  -2.665  -4.275  -2.854
  186TIP3    H1 6867  -2.716  -4.215  -2.911
  186TIP3    H2 6868  -2.641  -4.343  -2.919
  187TIP3   OH2 6869  -4.070  -2.492  -2.975
  187TIP3    H1 6870  -4.139  -2.442  -3.022
  187TIP3    H2 6871  -4.100  -2.483  -2.884
  188TIP3   OH2 6872  -3.820  -2.526  -3.111
  188TIP3    H1 6873  -3.905  -2.506  -3.068
  188TIP3    H2 6874  -3.816  -2.459  -3.181
  189TIP3   OH2 6875  -3.353  -2.400  -3.183
  189TIP3    H1 6876  -3.395  -2.350  -3.166
  189TIP3    H2 6877  -3.303  -2.439  -3.109
  190TIP3   OH2 6878  -3.109  -2.650  -3.052
  190TIP3    H1 6879  -3.181  -2.629  -3.114
  190TIP3    H2 6880  -3.047  -2.578  -3.066
  191TIP3   OH2 6881  -2.859  -2.480  -3.046
  191TIP3    H1 6882  -2.858  -2.385  -3.068
  191TIP3    H2 6883  -2.826  -2.519  -3.129
  192TIP3   OH2 6884  -4.125  -2.616  -3.276
  192TIP3    H1 6885  -4.135  -2.661  -3.190
  192TIP3    H2 6886  -4.049  -2.664  -3.313
  193TIP3   OH2 6887  -3.907  -2.746  -3.431
  193TIP3    H1 6888  -3.926  -2.836  -3.398
  193TIP3    H2 6889  -3.819  -2.728  -3.390
  194TIP3   OH2 6890  -3.643  -2.718  -3.340
  194TIP3    H1 6891  -3.616  -2.810  -3.352
  194TIP3    H2 6892  -3.623  -2.702  -3.247
  195TIP3   OH2 6893  -3.301  -4.112  -3.412
  195TIP3    H1 6894  -3.362  -4.183  -3.383
  195TIP3    H2 6895  -3.239  -4.162  -3.468
  196TIP3   OH2 6896  -2.771  -4.329  -3.365
  196TIP3    H1 6897  -2.712  -4.290  -3.430
  196TIP3    H2 6898  -2.859  -4.305  -3.398
  197TIP3   OH2 6899  -2.578  -4.223  -3.584
  197TIP3    H1 6900  -2.522  -4.247  -3.658
  197TIP3    H2 6901  -2.557  -4.129  -3.570
  198TIP3   OH2 6902  -4.076  -4.279  -3.668
  198TIP3    H1 6903  -4.158  -4.313  -3.705
  198TIP3    H2 6904  -4.025  -4.359  -3.651
  199TIP3   OH2 6905  -4.198  -4.290  -4.075
  199TIP3    H1 6906  -4.164  -4.223  -4.138
  199TIP3    H2 6907  -4.251  -4.234  -4.015
  200TIP3   OH2 6908  -3.613  -4.222  -3.650
  200TIP3    H1 6909  -3.520  -4.233  -3.671
  200TIP3    H2 6910  -3.633  -4.296  -3.592
  201TIP3   OH2 6911  -3.061  -4.264  -3.516
  201TIP3    H1 6912  -3.026  -4.262  -3.606
  201TIP3    H2 6913  -3.072  -4.359  -3.499
  202TIP3   OH2 6914  -2.953  -4.271  -3.915
  202TIP3    H1 6915  -3.027  -4.215  -3.944
  202TIP3    H2 6916  -2.990  -4.360  -3.920
  203TIP3   OH2 6917  -4.179  -2.688  -3.987
  203TIP3    H1 6918  -4.260  -2.707  -4.034
  203TIP3    H2 6919  -4.186  -2.593  -3.971
  204TIP3   OH2 6920  -4.012  -4.111  -4.224
  204TIP3    H1 6921  -3.957  -4.160  -4.287
  204TIP3    H2 6922  -3.944  -4.063  -4.174
  205TIP3   OH2 6923  -3.494  -4.057  -3.985
  205TIP3    H1 6924  -3.482  -4.142  -3.938
  205TIP3    H2 6925  -3.470  -3.991  -3.917
  206TIP3   OH2 6926  -3.298  -2.530  -4.133
  206TIP3    H1 6927  -3.205  -2.507  -4.147
  206TIP3    H2 6928  -3.311  -2.596  -4.203
  207TIP3   OH2 6929  -2.617  -2.611  -3.899
  207TIP3    H1 6930  -2.654  -2.692  -3.937
  207TIP3    H2 6931  -2.651  -2.541  -3.960
  208TIP3   OH2 6932  -4.111  -4.176  -2.733
  208TIP3    H1 6933  -4.159  -4.245  -2.683
  208TIP3    H2 6934  -4.027  -4.224  -2.747
  209TIP3   OH2 6935  -3.809  -4.278  -2.473
  209TIP3    H1 6936  -3.722  -4.303  -2.512
  209TIP3    H2 6937  -3.827  -4.355  -2.418
  210TIP3   OH2 6938  -3.961  -2.583  -4.238
  210TIP3    H1 6939  -4.021  -2.564  -4.165
  210TIP3    H2 6940  -3.928  -2.671  -4.218
  211TIP3   OH2 6941  -2.692  -2.734  -2.643
  211TIP3    H1 6942  -2.768  -2.753  -2.701
  211TIP3    H2 6943  -2.711  -2.641  -2.620
  212TIP3   OH2 6944  -1.273  -3.367  -3.629
  212TIP3    H1 6945  -1.276  -3.270  -3.616
  212TIP3    H2 6946  -1.352  -3.381  -3.684
  213TIP3   OH2 6947  -1.388  -3.423  -3.320
  213TIP3    H1 6948  -1.391  -3.478  -3.241
  213TIP3    H2 6949  -1.417  -3.485  -3.388
  214TIP3   OH2 6950  -2.141  -3.464  -3.153
  214TIP3    H1 6951  -2.144  -3.539  -3.091
  214TIP3    H2 6952  -2.072  -3.410  -3.114
  215TIP3   OH2 6953  -1.019  -3.150  -3.488
  215TIP3    H1 6954  -1.059  -3.220  -3.435
  215TIP3    H2 6955  -0.995  -3.086  -3.420
  216TIP3   OH2 6956  -2.076  -2.999  -3.304
  216TIP3    H1 6957  -2.100  -3.091  -3.329
  216TIP3    H2 6958  -1.983  -3.012  -3.280
  217TIP3   OH2 6959  -2.376  -3.662  -3.763
  217TIP3    H1 6960  -2.414  -3.574  -3.752
  217TIP3    H2 6961  -2.448  -3.709  -3.807
  218TIP3   OH2 6962  -2.297  -3.415  -3.580
  218TIP3    H1 6963  -2.281  -3.497  -3.530
  218TIP3    H2 6964  -2.213  -3.403  -3.625
  219TIP3   OH2 6965  -1.314  -2.612  -3.431
  219TIP3    H1 6966  -1.257  -2.684  -3.463
  219TIP3    H2 6967  -1.343  -2.645  -3.346
  220TIP3   OH2 6968  -1.541  -3.171  -3.264
  220TIP3    H1 6969  -1.508  -3.243  -3.321
  220TIP3    H2 6970  -1.460  -3.156  -3.211
  221TIP3   OH2 6971  -0.687  -4.013  -3.209
  221TIP3    H1 6972  -0.651  -3.977  -3.126
  221TIP3    H2 6973  -0.617  -3.988  -3.271
  222TIP3   OH2 6974  -1.211  -3.740  -3.212
  222TIP3    H1 6975  -1.193  -3.835  -3.210
  222TIP3    H2 6976  -1.221  -3.725  -3.307
  223TIP3   OH2 6977  -1.917  -3.941  -3.502
  223TIP3    H1 6978  -1.899  -3.856  -3.548
  223TIP3    H2 6979  -1.949  -3.995  -3.577
  224TIP3   OH2 6980  -1.128  -3.922  -3.671
  224TIP3    H1 6981  -1.068  -3.967  -3.607
  224TIP3    H2 6982  -1.063  -3.878  -3.728
  225TIP3   OH2 6983  -2.244  -3.662  -3.455
  225TIP3    H1 6984  -2.184  -3.711  -3.396
  225TIP3    H2 6985  -2.236  -3.713  -3.537
  226TIP3   OH2 6986  -1.706  -3.525  -3.509
  226TIP3    H1 6987  -1.636  -3.581  -3.469
  226TIP3    H2 6988  -1.757  -3.592  -3.558
  227TIP3   OH2 6989  -0.591  -3.845  -2.942
  227TIP3    H1 6990  -0.670  -3.798  -2.974
  227TIP3    H2 6991  -0.627  -3.892  -2.866
  228TIP3   OH2 6992  -2.034  -4.056  -3.087
  228TIP3    H1 6993  -2.069  -4.001  -3.159
  228TIP3    H2 6994  -2.101  -4.037  -3.018
  229TIP3   OH2 6995  -1.283  -3.081  -3.751
  229TIP3    H1 6996  -1.314  -3.102  -3.840
  229TIP3    H2 6997  -1.330  -2.998  -3.732
  230TIP3   OH2 6998  -1.740  -3.269  -3.076
  230TIP3    H1 6999  -1.814  -3.211  -3.050
  230TIP3    H2 7000  -1.679  -3.207  -3.120
  231TIP3   OH2 7001  -0.938  -4.012  -3.468
  231TIP3    H1 7002  -0.985  -4.062  -3.400
  231TIP3    H2 7003  -0.887  -3.950  -3.413
  232TIP3   OH2 7004  -2.074  -3.855  -3.293
  232TIP3    H1 7005  -2.010  -3.795  -3.249
  232TIP3    H2 7006  -2.017  -3.890  -3.365
  233TIP3   OH2 7007  -1.942  -3.083  -3.005
  233TIP3    H1 7008  -1.945  -2.990  -3.034
  233TIP3    H2 7009  -2.028  -3.089  -2.960
  234TIP3   OH2 7010  -2.311  -3.113  -3.917
  234TIP3    H1 7011  -2.327  -3.072  -4.004
  234TIP3    H2 7012  -2.296  -3.036  -3.858
  235TIP3   OH2 7013  -0.963  -2.968  -3.240
  235TIP3    H1 7014  -1.060  -2.957  -3.235
  235TIP3    H2 7015  -0.938  -2.881  -3.275
  236TIP3   OH2 7016  -0.923  -4.108  -3.065
  236TIP3    H1 7017  -1.004  -4.078  -3.109
  236TIP3    H2 7018  -0.857  -4.097  -3.136
  237TIP3   OH2 7019  -1.612   4.381  -3.363
  237TIP3    H1 7020  -1.615   4.286  -3.353
  237TIP3    H2 7021  -1.700   4.412  -3.332
  238TIP3   OH2 7022  -1.135  -2.774  -3.581
  238TIP3    H1 7023  -1.087  -2.852  -3.614
  238TIP3    H2 7024  -1.068  -2.704  -3.593
  239TIP3   OH2 7025  -0.988  -2.989  -3.721
  239TIP3    H1 7026  -1.045  -3.031  -3.787
  239TIP3    H2 7027  -0.995  -3.051  -3.646
  240TIP3   OH2 7028  -0.833  -3.105  -2.871
  240TIP3    H1 7029  -0.848  -3.170  -2.942
  240TIP3    H2 7030  -0.826  -3.021  -2.920
  241TIP3   OH2 7031  -1.407  -3.418  -3.906
  241TIP3    H1 7032  -1.473  -3.354  -3.938
  241TIP3    H2 7033  -1.335  -3.406  -3.970
  242TIP3   OH2 7034  -1.388  -3.593  -4.208
  242TIP3    H1 7035  -1.321  -3.563  -4.145
  242TIP3    H2 7036  -1.334  -3.654  -4.263
  243TIP3   OH2 7037  -0.651  -3.480  -3.087
  243TIP3    H1 7038  -0.729  -3.422  -3.071
  243TIP3    H2 7039  -0.621  -3.447  -3.173
  244TIP3   OH2 7040  -1.058  -3.414  -3.794
  244TIP3    H1 7041  -1.128  -3.392  -3.729
  244TIP3    H2 7042  -1.001  -3.472  -3.741
  245TIP3   OH2 7043  -1.073  -3.561  -2.910
  245TIP3    H1 7044  -1.070  -3.480  -2.857
  245TIP3    H2 7045  -1.140  -3.533  -2.976
  246TIP3   OH2 7046  -1.899  -3.337  -3.615
  246TIP3    H1 7047  -1.930  -3.380  -3.698
  246TIP3    H2 7048  -1.834  -3.402  -3.582
  247TIP3   OH2 7049  -1.762  -2.996  -3.342
  247TIP3    H1 7050  -1.774  -3.036  -3.430
  247TIP3    H2 7051  -1.683  -3.043  -3.309
  248TIP3   OH2 7052  -1.839  -3.457  -3.267
  248TIP3    H1 7053  -1.782  -3.453  -3.346
  248TIP3    H2 7054  -1.801  -3.389  -3.208
  249TIP3   OH2 7055  -1.242  -2.906  -3.209
  249TIP3    H1 7056  -1.243  -2.838  -3.139
  249TIP3    H2 7057  -1.269  -2.987  -3.162
  250TIP3   OH2 7058  -1.756  -3.024  -2.784
  250TIP3    H1 7059  -1.807  -2.958  -2.734
  250TIP3    H2 7060  -1.821  -3.051  -2.852
  251TIP3   OH2 7061  -1.149  -3.470  -4.056
  251TIP3    H1 7062  -1.109  -3.443  -3.971
  251TIP3    H2 7063  -1.092  -3.424  -4.120
  252TIP3   OH2 7064  -2.063  -3.384  -2.872
  252TIP3    H1 7065  -2.058  -3.327  -2.793
  252TIP3    H2 7066  -2.159  -3.398  -2.879
  253TIP3   OH2 7067  -1.418  -2.810  -3.693
  253TIP3    H1 7068  -1.369  -2.780  -3.616
  253TIP3    H2 7069  -1.465  -2.730  -3.721
  254TIP3   OH2 7070  -1.946  -2.806  -2.701
  254TIP3    H1 7071  -1.958  -2.803  -2.798
  254TIP3    H2 7072  -2.034  -2.833  -2.668
  255TIP3   OH2 7073  -0.827  -4.339  -4.124
  255TIP3    H1 7074  -0.878  -4.330  -4.042
  255TIP3    H2 7075  -0.766  -4.265  -4.115
  256TIP3   OH2 7076  -2.006  -3.462  -3.863
  256TIP3    H1 7077  -2.030  -3.386  -3.919
  256TIP3    H2 7078  -2.073  -3.527  -3.888
  257TIP3   OH2 7079  -0.708  -2.885  -4.244
  257TIP3    H1 7080  -0.684  -2.795  -4.217
  257TIP3    H2 7081  -0.622  -2.931  -4.241
  258TIP3   OH2 7082  -2.401  -3.196  -2.990
  258TIP3    H1 7083  -2.445  -3.199  -3.077
  258TIP3    H2 7084  -2.387  -3.291  -2.972
  259TIP3   OH2 7085  -2.395  -2.904  -3.296
  259TIP3    H1 7086  -2.303  -2.932  -3.292
  259TIP3    H2 7087  -2.399  -2.844  -3.220
  260TIP3   OH2 7088  -0.557  -2.842  -2.719
  260TIP3    H1 7089  -0.568  -2.937  -2.737
  260TIP3    H2 7090  -0.648  -2.818  -2.691
  261TIP3   OH2 7091  -1.492  -2.919  -2.840
  261TIP3    H1 7092  -1.485  -2.837  -2.787
  261TIP3    H2 7093  -1.582  -2.950  -2.817
  262TIP3   OH2 7094  -1.459  -2.539  -3.845
  262TIP3    H1 7095  -1.465  -2.531  -3.942
  262TIP3    H2 7096  -1.456  -2.447  -3.815
  263TIP3   OH2 7097  -2.085  -2.623  -3.679
  263TIP3    H1 7098  -2.067  -2.669  -3.594
  263TIP3    H2 7099  -2.167  -2.667  -3.705
  264TIP3   OH2 7100  -1.138  -2.562  -4.108
  264TIP3    H1 7101  -1.101  -2.622  -4.177
  264TIP3    H2 7102  -1.147  -2.624  -4.033
  265TIP3   OH2 7103  -1.192  -2.659  -3.857
  265TIP3    H1 7104  -1.285  -2.638  -3.838
  265TIP3    H2 7105  -1.173  -2.725  -3.788
  266TIP3   OH2 7106  -0.876  -3.707  -2.681
  266TIP3    H1 7107  -0.930  -3.670  -2.752
  266TIP3    H2 7108  -0.870  -3.801  -2.708
  267TIP3   OH2 7109  -2.181  -3.041  -2.866
  267TIP3    H1 7110  -2.155  -3.087  -2.784
  267TIP3    H2 7111  -2.255  -3.096  -2.898
  268TIP3   OH2 7112  -1.860  -4.219  -3.274
  268TIP3    H1 7113  -1.943  -4.243  -3.319
  268TIP3    H2 7114  -1.887  -4.136  -3.231
  269TIP3   OH2 7115  -1.406  -4.260  -2.915
  269TIP3    H1 7116  -1.385  -4.311  -2.836
  269TIP3    H2 7117  -1.500  -4.278  -2.926
  270TIP3   OH2 7118  -1.107  -3.862  -2.873
  270TIP3    H1 7119  -1.166  -3.875  -2.797
  270TIP3    H2 7120  -1.115  -3.767  -2.891
  271TIP3   OH2 7121  -0.917  -3.391  -4.256
  271TIP3    H1 7122  -0.978  -3.405  -4.330
  271TIP3    H2 7123  -0.901  -3.296  -4.267
  272TIP3   OH2 7124  -1.441  -3.999  -4.217
  272TIP3    H1 7125  -1.496  -3.994  -4.136
  272TIP3    H2 7126  -1.492  -4.066  -4.265
  273TIP3   OH2 7127  -1.877  -3.716  -3.148
  273TIP3    H1 7128  -1.935  -3.703  -3.071
  273TIP3    H2 7129  -1.869  -3.624  -3.183
  274TIP3   OH2 7130  -1.882  -3.708  -3.659
  274TIP3    H1 7131  -1.977  -3.719  -3.675
  274TIP3    H2 7132  -1.847  -3.727  -3.749
  275TIP3   OH2 7133  -1.313  -3.653  -3.786
  275TIP3    H1 7134  -1.355  -3.571  -3.818
  275TIP3    H2 7135  -1.251  -3.673  -3.857
  276TIP3   OH2 7136  -1.401  -3.632  -2.649
  276TIP3    H1 7137  -1.453  -3.706  -2.611
  276TIP3    H2 7138  -1.315  -3.644  -2.605
  277TIP3   OH2 7139  -1.234  -3.711  -3.505
  277TIP3    H1 7140  -1.263  -3.654  -3.579
  277TIP3    H2 7141  -1.214  -3.793  -3.555
  278TIP3   OH2 7142  -2.140  -3.697  -2.966
  278TIP3    H1 7143  -2.113  -3.669  -2.877
  278TIP3    H2 7144  -2.179  -3.784  -2.946
  279TIP3   OH2 7145  -1.769  -3.959  -4.317
  279TIP3    H1 7146  -1.799  -3.987  -4.228
  279TIP3    H2 7147  -1.845  -3.905  -4.346
  280TIP3   OH2 7148  -2.460  -3.956  -3.602
  280TIP3    H1 7149  -2.403  -3.956  -3.523
  280TIP3    H2 7150  -2.404  -3.994  -3.670
  281TIP3   OH2 7151  -2.303  -3.911  -4.038
  281TIP3    H1 7152  -2.246  -3.862  -4.100
  281TIP3    H2 7153  -2.369  -3.842  -4.016
  282TIP3   OH2 7154  -1.324  -3.543  -3.057
  282TIP3    H1 7155  -1.282  -3.617  -3.108
  282TIP3    H2 7156  -1.360  -3.591  -2.981
  283TIP3   OH2 7157  -1.605  -3.941  -3.560
  283TIP3    H1 7158  -1.698  -3.959  -3.539
  283TIP3    H2 7159  -1.561  -3.973  -3.479
  284TIP3   OH2 7160  -2.147  -3.828  -3.690
  284TIP3    H1 7161  -2.229  -3.800  -3.735
  284TIP3    H2 7162  -2.120  -3.909  -3.737
  285TIP3   OH2 7163  -1.788  -3.785  -3.921
  285TIP3    H1 7164  -1.691  -3.783  -3.917
  285TIP3    H2 7165  -1.811  -3.729  -3.997
  286TIP3   OH2 7166  -1.171  -4.032  -3.256
  286TIP3    H1 7167  -1.234  -4.035  -3.181
  286TIP3    H2 7168  -1.228  -4.064  -3.327
  287TIP3   OH2 7169  -1.926  -3.676  -4.157
  287TIP3    H1 7170  -1.992  -3.721  -4.213
  287TIP3    H2 7171  -1.856  -3.653  -4.220
  288TIP3   OH2 7172  -0.864  -2.456  -2.587
  288TIP3    H1 7173  -0.846  -2.411  -2.672
  288TIP3    H2 7174  -0.790  -2.426  -2.533
  289TIP3   OH2 7175  -2.074  -3.194  -2.647
  289TIP3    H1 7176  -2.007  -3.186  -2.576
  289TIP3    H2 7177  -2.155  -3.197  -2.591
  290TIP3   OH2 7178  -1.502  -3.693  -3.373
  290TIP3    H1 7179  -1.432  -3.739  -3.422
  290TIP3    H2 7180  -1.521  -3.756  -3.301
  291TIP3   OH2 7181  -1.988  -4.066  -3.757
  291TIP3    H1 7182  -2.034  -4.151  -3.743
  291TIP3    H2 7183  -1.901  -4.095  -3.788
  292TIP3   OH2 7184  -1.606  -3.848  -3.150
  292TIP3    H1 7185  -1.683  -3.788  -3.148
  292TIP3    H2 7186  -1.557  -3.822  -3.069
  293TIP3   OH2 7187  -1.591  -3.212  -3.960
  293TIP3    H1 7188  -1.669  -3.260  -3.994
  293TIP3    H2 7189  -1.611  -3.205  -3.864
  294TIP3   OH2 7190  -0.868  -3.296  -3.088
  294TIP3    H1 7191  -0.821  -3.240  -3.153
  294TIP3    H2 7192  -0.955  -3.307  -3.131
  295TIP3   OH2 7193  -1.171  -3.929  -4.187
  295TIP3    H1 7194  -1.268  -3.937  -4.188
  295TIP3    H2 7195  -1.153  -3.856  -4.126
  296TIP3   OH2 7196  -1.426  -3.208  -2.829
  296TIP3    H1 7197  -1.458  -3.241  -2.743
  296TIP3    H2 7198  -1.459  -3.116  -2.828
  297TIP3   OH2 7199  -1.115  -3.749  -3.988
  297TIP3    H1 7200  -1.029  -3.765  -3.945
  297TIP3    H2 7201  -1.102  -3.661  -4.029
  298TIP3   OH2 7202  -2.078  -3.270  -3.378
  298TIP3    H1 7203  -2.022  -3.282  -3.457
  298TIP3    H2 7204  -2.068  -3.356  -3.334
  299TIP3   OH2 7205  -1.343  -3.076  -4.064
  299TIP3    H1 7206  -1.374  -2.987  -4.038
  299TIP3    H2 7207  -1.423  -3.128  -4.047
  300TIP3   OH2 7208  -2.353  -3.443  -2.852
  300TIP3    H1 7209  -2.336  -3.487  -2.766
  300TIP3    H2 7210  -2.412  -3.506  -2.897
  301TIP3   OH2 7211  -1.655  -3.491  -2.654
  301TIP3    H1 7212  -1.690  -3.518  -2.741
  301TIP3    H2 7213  -1.562  -3.520  -2.662
  302TIP3   OH2 7214  -1.201  -2.948  -2.881
  302TIP3    H1 7215  -1.298  -2.941  -2.888
  302TIP3    H2 7216  -1.186  -2.924  -2.788
  303TIP3   OH2 7217  -0.640  -3.735  -3.998
  303TIP3    H1 7218  -0.704  -3.760  -4.068
  303TIP3    H2 7219  -0.635  -3.640  -4.018
  304TIP3   OH2 7220  -0.603  -3.140  -2.723
  304TIP3    H1 7221  -0.696  -3.119  -2.743
  304TIP3    H2 7222  -0.568  -3.158  -2.812
  305TIP3   OH2 7223  -0.817  -2.882  -3.987
  305TIP3    H1 7224  -0.852  -2.959  -3.941
  305TIP3    H2 7225  -0.791  -2.917  -4.074
  306TIP3   OH2 7226  -1.103  -3.351  -3.257
  306TIP3    H1 7227  -1.197  -3.366  -3.280
  306TIP3    H2 7228  -1.061  -3.423  -3.306
  307TIP3   OH2 7229  -1.840  -2.942  -3.653
  307TIP3    H1 7230  -1.799  -2.855  -3.665
  307TIP3    H2 7231  -1.932  -2.924  -3.676
  308TIP3   OH2 7232  -2.234  -3.451  -4.198
  308TIP3    H1 7233  -2.178  -3.385  -4.154
  308TIP3    H2 7234  -2.323  -3.427  -4.166
  309TIP3   OH2 7235  -1.657  -3.173  -3.690
  309TIP3    H1 7236  -1.687  -3.082  -3.676
  309TIP3    H2 7237  -1.728  -3.223  -3.647
  310TIP3   OH2 7238  -1.641  -2.747  -3.055
  310TIP3    H1 7239  -1.585  -2.672  -3.082
  310TIP3    H2 7240  -1.580  -2.796  -2.998
  311TIP3   OH2 7241  -1.796  -2.653  -3.730
  311TIP3    H1 7242  -1.892  -2.638  -3.726
  311TIP3    H2 7243  -1.762  -2.564  -3.708
  312TIP3   OH2 7244  -1.300  -3.172  -3.098
  312TIP3    H1 7245  -1.330  -3.199  -3.009
  312TIP3    H2 7246  -1.227  -3.234  -3.114
  313TIP3   OH2 7247  -1.086  -3.033  -4.199
  313TIP3    H1 7248  -1.036  -3.079  -4.128
  313TIP3    H2 7249  -1.176  -3.051  -4.168
  314TIP3   OH2 7250  -1.004  -2.716  -2.860
  314TIP3    H1 7251  -1.081  -2.761  -2.899
  314TIP3    H2 7252  -0.997  -2.635  -2.915
  315TIP3   OH2 7253  -0.594  -2.593  -4.153
  315TIP3    H1 7254  -0.525  -2.525  -4.139
  315TIP3    H2 7255  -0.676  -2.541  -4.137
  316TIP3   OH2 7256  -2.219  -3.961  -2.894
  316TIP3    H1 7257  -2.310  -3.944  -2.925
  316TIP3    H2 7258  -2.234  -4.047  -2.848
  317TIP3   OH2 7259  -0.983  -3.185  -3.973
  317TIP3    H1 7260  -1.014  -3.251  -3.908
  317TIP3    H2 7261  -0.887  -3.187  -3.958
  318TIP3   OH2 7262  -2.244  -2.803  -3.051
  318TIP3    H1 7263  -2.215  -2.894  -3.033
  318TIP3    H2 7264  -2.224  -2.762  -2.966
  319TIP3   OH2 7265  -1.627  -2.951  -4.328
  319TIP3    H1 7266  -1.597  -3.041  -4.351
  319TIP3    H2 7267  -1.685  -2.970  -4.252
  320TIP3   OH2 7268  -1.779  -2.986  -4.076
  320TIP3    H1 7269  -1.726  -3.036  -4.013
  320TIP3    H2 7270  -1.759  -2.893  -4.050
  321TIP3   OH2 7271  -2.091  -3.248  -4.033
  321TIP3    H1 7272  -2.167  -3.206  -3.988
  321TIP3    H2 7273  -2.047  -3.170  -4.071
  322TIP3   OH2 7274  -1.330  -4.008  -3.026
  322TIP3    H1 7275  -1.267  -3.982  -2.957
  322TIP3    H2 7276  -1.366  -4.092  -2.992
  323TIP3   OH2 7277  -1.253  -4.049  -3.922
  323TIP3    H1 7278  -1.232  -3.991  -3.997
  323TIP3    H2 7279  -1.214  -4.000  -3.847
  324TIP3   OH2 7280  -1.482  -2.826  -4.025
  324TIP3    H1 7281  -1.563  -2.776  -4.005
  324TIP3    H2 7282  -1.434  -2.762  -4.080
  325TIP3   OH2 7283  -1.518  -3.849  -3.812
  325TIP3    H1 7284  -1.442  -3.790  -3.798
  325TIP3    H2 7285  -1.548  -3.866  -3.721
  326TIP3   OH2 7286  -1.481  -3.759  -2.901
  326TIP3    H1 7287  -1.475  -3.710  -2.817
  326TIP3    H2 7288  -1.428  -3.837  -2.882
  327TIP3   OH2 7289  -1.442  -4.171  -3.714
  327TIP3    H1 7290  -1.475  -4.096  -3.662
  327TIP3    H2 7291  -1.389  -4.126  -3.782
  328TIP3   OH2 7292  -1.756  -2.709  -4.023
  328TIP3    H1 7293  -1.765  -2.625  -4.074
  328TIP3    H2 7294  -1.776  -2.679  -3.933
  329TIP3   OH2 7295  -1.889  -4.043  -4.075
  329TIP3    H1 7296  -1.894  -3.966  -4.015
  329TIP3    H2 7297  -1.806  -4.084  -4.044
  330TIP3   OH2 7298  -0.845  -3.962  -2.819
  330TIP3    H1 7299  -0.942  -3.952  -2.827
  330TIP3    H2 7300  -0.826  -3.992  -2.909
  331TIP3   OH2 7301  -1.002  -3.574  -3.413
  331TIP3    H1 7302  -1.085  -3.619  -3.437
  331TIP3    H2 7303  -0.954  -3.645  -3.364
  332TIP3   OH2 7304  -2.056  -2.950  -4.155
  332TIP3    H1 7305  -1.971  -2.924  -4.115
  332TIP3    H2 7306  -2.025  -2.995  -4.235
  333TIP3   OH2 7307  -2.228  -3.734  -4.251
  333TIP3    H1 7308  -2.214  -3.638  -4.238
  333TIP3    H2 7309  -2.317  -3.734  -4.290
  334TIP3   OH2 7310  -0.901  -2.690  -3.270
  334TIP3    H1 7311  -0.920  -2.609  -3.320
  334TIP3    H2 7312  -0.808  -2.673  -3.245
  335TIP3   OH2 7313  -2.221  -4.242  -3.353
  335TIP3    H1 7314  -2.180  -4.244  -3.441
  335TIP3    H2 7315  -2.201  -4.332  -3.325
  336TIP3   OH2 7316  -2.250  -2.883  -3.743
  336TIP3    H1 7317  -2.331  -2.834  -3.727
  336TIP3    H2 7318  -2.214  -2.837  -3.820
  337TIP3   OH2 7319  -2.311  -2.598  -2.630
  337TIP3    H1 7320  -2.253  -2.625  -2.556
  337TIP3    H2 7321  -2.350  -2.684  -2.656
  338TIP3   OH2 7322  -1.839  -2.689  -2.451
  338TIP3    H1 7323  -1.774  -2.756  -2.428
  338TIP3    H2 7324  -1.865  -2.718  -2.541
  339TIP3   OH2 7325  -1.418  -2.754  -4.326
  339TIP3    H1 7326  -1.502  -2.805  -4.332
  339TIP3    H2 7327  -1.355  -2.821  -4.356
  340TIP3   OH2 7328  -1.192  -2.867  -2.594
  340TIP3    H1 7329  -1.235  -2.946  -2.556
  340TIP3    H2 7330  -1.127  -2.844  -2.526
  341TIP3   OH2 7331  -1.057  -2.757  -4.278
  341TIP3    H1 7332  -1.057  -2.851  -4.253
  341TIP3    H2 7333  -0.991  -2.751  -4.347
  342TIP3   OH2 7334  -2.315  -3.235  -2.517
  342TIP3    H1 7335  -2.307  -3.326  -2.550
  342TIP3    H2 7336  -2.393  -3.204  -2.568
  343TIP3   OH2 7337  -1.899  -3.204  -4.308
  343TIP3    H1 7338  -1.854  -3.244  -4.232
  343TIP3    H2 7339  -1.828  -3.179  -4.370
  344TIP3   OH2 7340  -1.651  -3.215  -2.583
  344TIP3    H1 7341  -1.684  -3.183  -2.669
  344TIP3    H2 7342  -1.645  -3.312  -2.597
  345TIP3   OH2 7343  -1.335  -3.081   4.296
  345TIP3    H1 7344  -1.346  -3.064   4.389
  345TIP3    H2 7345  -1.342  -3.177   4.290
  346TIP3   OH2 7346  -1.116  -3.255  -2.844
  346TIP3    H1 7347  -1.039  -3.198  -2.862
  346TIP3    H2 7348  -1.188  -3.190  -2.845
  347TIP3   OH2 7349  -2.229  -3.522  -2.600
  347TIP3    H1 7350  -2.155  -3.586  -2.598
  347TIP3    H2 7351  -2.234  -3.499  -2.506
  348TIP3   OH2 7352  -1.784  -3.384  -4.093
  348TIP3    H1 7353  -1.848  -3.426  -4.033
  348TIP3    H2 7354  -1.753  -3.461  -4.145
  349TIP3   OH2 7355  -1.865  -3.609  -2.857
  349TIP3    H1 7356  -1.918  -3.530  -2.836
  349TIP3    H2 7357  -1.799  -3.572  -2.919
  350TIP3   OH2 7358  -1.663  -3.571  -4.275
  350TIP3    H1 7359  -1.664  -3.598  -4.368
  350TIP3    H2 7360  -1.567  -3.581  -4.254
  351TIP3   OH2 7361  -1.333  -3.338  -2.501
  351TIP3    H1 7362  -1.243  -3.358  -2.530
  351TIP3    H2 7363  -1.359  -3.421  -2.459
  352TIP3   OH2 7364  -1.805  -3.879  -2.746
  352TIP3    H1 7365  -1.797  -3.944  -2.817
  352TIP3    H2 7366  -1.826  -3.798  -2.795
  353TIP3   OH2 7367  -1.767  -4.037  -3.003
  353TIP3    H1 7368  -1.714  -3.982  -3.065
  353TIP3    H2 7369  -1.858  -4.027  -3.037
  354TIP3   OH2 7370  -1.617  -3.487  -2.957
  354TIP3    H1 7371  -1.533  -3.495  -3.005
  354TIP3    H2 7372  -1.648  -3.400  -2.987
  355TIP3   OH2 7373  -1.159  -3.693  -2.481
  355TIP3    H1 7374  -1.141  -3.786  -2.460
  355TIP3    H2 7375  -1.069  -3.656  -2.482
  356TIP3   OH2 7376  -1.061  -3.414  -2.629
  356TIP3    H1 7377  -1.096  -3.354  -2.698
  356TIP3    H2 7378  -0.972  -3.431  -2.667
  357TIP3   OH2 7379  -1.983  -3.696  -2.563
  357TIP3    H1 7380  -2.036  -3.777  -2.561
  357TIP3    H2 7381  -1.903  -3.726  -2.607
  358TIP3   OH2 7382  -1.718  -4.278  -2.882
  358TIP3    H1 7383  -1.707  -4.187  -2.916
  358TIP3    H2 7384  -1.811  -4.292  -2.903
  359TIP3   OH2 7385  -1.571  -3.843  -2.586
  359TIP3    H1 7386  -1.602  -3.871  -2.497
  359TIP3    H2 7387  -1.652  -3.863  -2.637
  360TIP3   OH2 7388  -1.312  -3.944  -2.687
  360TIP3    H1 7389  -1.401  -3.931  -2.650
  360TIP3    H2 7390  -1.275  -4.010  -2.625
  361TIP3   OH2 7391  -1.138  -4.136  -2.518
  361TIP3    H1 7392  -1.155  -4.224  -2.481
  361TIP3    H2 7393  -1.154  -4.077  -2.443
  362TIP3   OH2 7394  -2.106  -3.959  -2.575
  362TIP3    H1 7395  -2.131  -4.021  -2.646
  362TIP3    H2 7396  -2.148  -3.998  -2.497
  363TIP3   OH2 7397  -1.608  -4.145  -2.476
  363TIP3    H1 7398  -1.631  -4.228  -2.522
  363TIP3    H2 7399  -1.694  -4.100  -2.469
  364TIP3   OH2 7400  -1.707  -2.452  -4.167
  364TIP3    H1 7401  -1.610  -2.448  -4.166
  364TIP3    H2 7402  -1.732  -2.400  -4.246
  365TIP3   OH2 7403  -2.316  -3.060  -4.194
  365TIP3    H1 7404  -2.229  -3.015  -4.196
  365TIP3    H2 7405  -2.316  -3.107  -4.279
  366TIP3   OH2 7406  -2.425  -2.498  -3.716
  366TIP3    H1 7407  -2.496  -2.535  -3.771
  366TIP3    H2 7408  -2.413  -2.568  -3.649
  367TIP3   OH2 7409  -2.385  -2.697  -3.520
  367TIP3    H1 7410  -2.413  -2.786  -3.490
  367TIP3    H2 7411  -2.349  -2.664  -3.436
  368TIP3   OH2 7412  -0.629  -2.574  -3.219
  368TIP3    H1 7413  -0.614  -2.573  -3.124
  368TIP3    H2 7414  -0.545  -2.542  -3.252
  369TIP3   OH2 7415  -0.640  -2.628  -2.932
  369TIP3    H1 7416  -0.692  -2.703  -2.967
  369TIP3    H2 7417  -0.585  -2.674  -2.867
  370TIP3   OH2 7418  -0.839  -3.085  -2.502
  370TIP3    H1 7419  -0.928  -3.078  -2.463
  370TIP3    H2 7420  -0.795  -3.004  -2.471
  371TIP3   OH2 7421  -0.697  -3.211  -3.927
  371TIP3    H1 7422  -0.609  -3.170  -3.914
  371TIP3    H2 7423  -0.703  -3.267  -3.848
  372TIP3   OH2 7424  -0.627  -3.407  -3.702
  372TIP3    H1 7425  -0.709  -3.454  -3.679
  372TIP3    H2 7426  -0.577  -3.409  -3.619
  373TIP3   OH2 7427  -0.673  -3.157  -3.233
  373TIP3    H1 7428  -0.612  -3.197  -3.297
  373TIP3    H2 7429  -0.672  -3.064  -3.260
  374TIP3   OH2 7430  -0.811  -2.858  -3.009
  374TIP3    H1 7431  -0.883  -2.816  -2.960
  374TIP3    H2 7432  -0.858  -2.892  -3.088
  375TIP3   OH2 7433  -0.624  -3.431  -4.113
  375TIP3    H1 7434  -0.697  -3.408  -4.173
  375TIP3    H2 7435  -0.640  -3.366  -4.043
  376TIP3   OH2 7436  -0.804  -3.697  -4.215
  376TIP3    H1 7437  -0.780  -3.625  -4.276
  376TIP3    H2 7438  -0.771  -3.774  -4.261
  377TIP3   OH2 7439  -0.851  -3.578  -3.651
  377TIP3    H1 7440  -0.861  -3.672  -3.672
  377TIP3    H2 7441  -0.894  -3.572  -3.563
  378TIP3   OH2 7442  -2.376  -3.363  -3.280
  378TIP3    H1 7443  -2.351  -3.359  -3.374
  378TIP3    H2 7444  -2.290  -3.386  -3.239
  379TIP3   OH2 7445  -0.800  -3.393  -2.738
  379TIP3    H1 7446  -0.727  -3.455  -2.719
  379TIP3    H2 7447  -0.753  -3.310  -2.753
  380TIP3   OH2 7448  -0.644  -3.583  -2.614
  380TIP3    H1 7449  -0.724  -3.636  -2.638
  380TIP3    H2 7450  -0.575  -3.652  -2.616
  381TIP3   OH2 7451  -0.886  -4.020  -4.340
  381TIP3    H1 7452  -0.827  -4.045  -4.267
  381TIP3    H2 7453  -0.974  -4.048  -4.310
  382TIP3   OH2 7454  -0.882  -3.823  -3.833
  382TIP3    H1 7455  -0.864  -3.920  -3.825
  382TIP3    H2 7456  -0.797  -3.793  -3.871
  383TIP3   OH2 7457  -0.851  -3.770  -3.292
  383TIP3    H1 7458  -0.753  -3.772  -3.292
  383TIP3    H2 7459  -0.867  -3.777  -3.196
  384TIP3   OH2 7460  -0.836  -3.704  -3.007
  384TIP3    H1 7461  -0.921  -3.665  -2.980
  384TIP3    H2 7462  -0.784  -3.626  -3.028
  385TIP3   OH2 7463  -2.392  -3.836  -2.629
  385TIP3    H1 7464  -2.299  -3.858  -2.643
  385TIP3    H2 7465  -2.434  -3.923  -2.630
  386TIP3   OH2 7466  -0.619  -4.275  -2.428
  386TIP3    H1 7467  -0.573  -4.356  -2.451
  386TIP3    H2 7468  -0.618  -4.218  -2.508
  387TIP3   OH2 7469  -0.850  -4.095  -3.822
  387TIP3    H1 7470  -0.821  -4.148  -3.746
  387TIP3    H2 7471  -0.910  -4.157  -3.866
  388TIP3   OH2 7472  -2.316  -3.990  -3.360
  388TIP3    H1 7473  -2.285  -4.082  -3.350
  388TIP3    H2 7474  -2.241  -3.940  -3.322
  389TIP3   OH2 7475  -2.456  -3.727  -3.258
  389TIP3    H1 7476  -2.395  -3.733  -3.333
  389TIP3    H2 7477  -2.417  -3.654  -3.208
  390TIP3   OH2 7478  -0.642  -4.111  -2.645
  390TIP3    H1 7479  -0.727  -4.065  -2.638
  390TIP3    H2 7480  -0.652  -4.148  -2.735
  391TIP3   OH2 7481  -0.631  -4.073  -4.174
  391TIP3    H1 7482  -0.605  -4.145  -4.233
  391TIP3    H2 7483  -0.548  -4.022  -4.166
  392TIP3   OH2 7484  -2.400  -4.101  -3.853
  392TIP3    H1 7485  -2.495  -4.095  -3.872
  392TIP3    H2 7486  -2.362  -4.033  -3.912
  393TIP3   OH2 7487  -0.943  -2.572  -3.641
  393TIP3    H1 7488  -0.895  -2.595  -3.722
  393TIP3    H2 7489  -0.874  -2.530  -3.587
  394TIP3   OH2 7490  -2.424  -4.127  -3.000
  394TIP3    H1 7491  -2.425  -4.220  -2.972
  394TIP3    H2 7492  -2.443  -4.136  -3.095
  395TIP3   OH2 7493  -2.201  -2.895  -2.568
  395TIP3    H1 7494  -2.275  -2.898  -2.630
  395TIP3    H2 7495  -2.245  -2.903  -2.482
  396TIP3   OH2 7496  -1.917  -2.799  -3.000
  396TIP3    H1 7497  -1.948  -2.713  -3.034
  396TIP3    H2 7498  -1.821  -2.789  -3.017
  397TIP3   OH2 7499  -1.466  -2.668  -2.699
  397TIP3    H1 7500  -1.453  -2.684  -2.604
  397TIP3    H2 7501  -1.383  -2.623  -2.723
  398TIP3   OH2 7502  -1.236  -2.521  -2.774
  398TIP3    H1 7503  -1.169  -2.587  -2.796
  398TIP3    H2 7504  -1.207  -2.492  -2.685
  399TIP3   OH2 7505  -0.778  -4.275  -2.854
  399TIP3    H1 7506  -0.831  -4.216  -2.911
  399TIP3    H2 7507  -0.757  -4.344  -2.918
  400TIP3   OH2 7508  -2.180  -2.503  -2.967
  400TIP3    H1 7509  -2.240  -2.439  -3.010
  400TIP3    H2 7510  -2.211  -2.499  -2.876
  401TIP3   OH2 7511  -1.930  -2.525  -3.111
  401TIP3    H1 7512  -2.016  -2.507  -3.067
  401TIP3    H2 7513  -1.927  -2.456  -3.179
  402TIP3   OH2 7514  -1.455  -2.526  -3.155
  402TIP3    H1 7515  -1.494  -2.481  -3.233
  402TIP3    H2 7516  -1.448  -2.451  -3.092
  403TIP3   OH2 7517  -1.222  -2.654  -3.063
  403TIP3    H1 7518  -1.307  -2.618  -3.096
  403TIP3    H2 7519  -1.167  -2.575  -3.065
  404TIP3   OH2 7520  -0.968  -2.481  -3.044
  404TIP3    H1 7521  -0.974  -2.386  -3.066
  404TIP3    H2 7522  -0.942  -2.517  -3.131
  405TIP3   OH2 7523  -2.222  -2.623  -3.272
  405TIP3    H1 7524  -2.224  -2.672  -3.187
  405TIP3    H2 7525  -2.146  -2.667  -3.316
  406TIP3   OH2 7526  -2.020  -2.747  -3.427
  406TIP3    H1 7527  -2.036  -2.840  -3.402
  406TIP3    H2 7528  -1.929  -2.733  -3.396
  407TIP3   OH2 7529  -1.743  -2.701  -3.339
  407TIP3    H1 7530  -1.725  -2.794  -3.362
  407TIP3    H2 7531  -1.737  -2.705  -3.243
  408TIP3   OH2 7532  -1.415  -4.112  -3.412
  408TIP3    H1 7533  -1.477  -4.182  -3.383
  408TIP3    H2 7534  -1.354  -4.162  -3.469
  409TIP3   OH2 7535  -0.885  -4.327  -3.363
  409TIP3    H1 7536  -0.826  -4.290  -3.431
  409TIP3    H2 7537  -0.973  -4.307  -3.398
  410TIP3   OH2 7538  -0.691  -4.224  -3.583
  410TIP3    H1 7539  -0.637  -4.248  -3.659
  410TIP3    H2 7540  -0.672  -4.129  -3.572
  411TIP3   OH2 7541  -2.179  -4.282  -3.678
  411TIP3    H1 7542  -2.270  -4.306  -3.699
  411TIP3    H2 7543  -2.143  -4.364  -3.642
  412TIP3   OH2 7544  -2.318  -4.282  -4.068
  412TIP3    H1 7545  -2.266  -4.231  -4.134
  412TIP3    H2 7546  -2.352  -4.211  -4.011
  413TIP3   OH2 7547  -1.729  -4.226  -3.652
  413TIP3    H1 7548  -1.635  -4.235  -3.672
  413TIP3    H2 7549  -1.743  -4.293  -3.584
  414TIP3   OH2 7550  -1.172  -4.264  -3.516
  414TIP3    H1 7551  -1.141  -4.263  -3.607
  414TIP3    H2 7552  -1.188  -4.358  -3.499
  415TIP3   OH2 7553  -1.067  -4.270  -3.915
  415TIP3    H1 7554  -1.141  -4.215  -3.946
  415TIP3    H2 7555  -1.104  -4.360  -3.919
  416TIP3   OH2 7556  -2.295  -2.699  -3.960
  416TIP3    H1 7557  -2.361  -2.698  -4.031
  416TIP3    H2 7558  -2.282  -2.605  -3.946
  417TIP3   OH2 7559  -2.128  -4.125  -4.223
  417TIP3    H1 7560  -2.066  -4.163  -4.286
  417TIP3    H2 7561  -2.070  -4.063  -4.176
  418TIP3   OH2 7562  -1.607  -4.057  -3.985
  418TIP3    H1 7563  -1.597  -4.142  -3.937
  418TIP3    H2 7564  -1.585  -3.991  -3.917
  419TIP3   OH2 7565  -1.414  -2.530  -4.147
  419TIP3    H1 7566  -1.317  -2.518  -4.145
  419TIP3    H2 7567  -1.422  -2.593  -4.221
  420TIP3   OH2 7568  -0.749  -2.614  -3.880
  420TIP3    H1 7569  -0.778  -2.697  -3.924
  420TIP3    H2 7570  -0.771  -2.547  -3.948
  421TIP3   OH2 7571  -2.216  -4.178  -2.732
  421TIP3    H1 7572  -2.262  -4.257  -2.699
  421TIP3    H2 7573  -2.128  -4.217  -2.744
  422TIP3   OH2 7574  -1.923  -4.279  -2.467
  422TIP3    H1 7575  -1.836  -4.305  -2.505
  422TIP3    H2 7576  -1.946  -4.357  -2.416
  423TIP3   OH2 7577  -2.050  -2.563  -4.195
  423TIP3    H1 7578  -2.146  -2.565  -4.182
  423TIP3    H2 7579  -2.033  -2.647  -4.239
  424TIP3   OH2 7580  -0.809  -2.734  -2.641
  424TIP3    H1 7581  -0.883  -2.754  -2.702
  424TIP3    H2 7582  -0.827  -2.641  -2.620
  425TIP3   OH2 7583   0.614  -3.366  -3.629
  425TIP3    H1 7584   0.611  -3.270  -3.617
  425TIP3    H2 7585   0.535  -3.381  -3.683
  426TIP3   OH2 7586   0.496  -3.421  -3.320
  426TIP3    H1 7587   0.497  -3.475  -3.240
  426TIP3    H2 7588   0.462  -3.487  -3.384
  427TIP3   OH2 7589  -0.249  -3.452  -3.171
  427TIP3    H1 7590  -0.261  -3.526  -3.108
  427TIP3    H2 7591  -0.188  -3.397  -3.119
  428TIP3   OH2 7592   0.864  -3.148  -3.488
  428TIP3    H1 7593   0.827  -3.220  -3.435
  428TIP3    H2 7594   0.894  -3.087  -3.418
  429TIP3   OH2 7595  -0.185  -3.014  -3.318
  429TIP3    H1 7596  -0.213  -3.106  -3.323
  429TIP3    H2 7597  -0.094  -3.023  -3.284
  430TIP3   OH2 7598  -0.498  -3.658  -3.741
  430TIP3    H1 7599  -0.535  -3.570  -3.756
  430TIP3    H2 7600  -0.554  -3.713  -3.797
  431TIP3   OH2 7601   0.569  -2.613  -3.431
  431TIP3    H1 7602   0.628  -2.684  -3.463
  431TIP3    H2 7603   0.544  -2.646  -3.344
  432TIP3   OH2 7604   0.345  -3.171  -3.263
  432TIP3    H1 7605   0.377  -3.243  -3.319
  432TIP3    H2 7606   0.426  -3.155  -3.211
  433TIP3   OH2 7607   1.202  -4.017  -3.207
  433TIP3    H1 7608   1.234  -3.972  -3.127
  433TIP3    H2 7609   1.267  -3.986  -3.273
  434TIP3   OH2 7610   0.675  -3.739  -3.212
  434TIP3    H1 7611   0.692  -3.835  -3.210
  434TIP3    H2 7612   0.660  -3.724  -3.306
  435TIP3   OH2 7613   0.757  -3.922  -3.672
  435TIP3    H1 7614   0.815  -3.968  -3.607
  435TIP3    H2 7615   0.823  -3.878  -3.727
  436TIP3   OH2 7616  -0.347  -3.615  -3.457
  436TIP3    H1 7617  -0.293  -3.684  -3.415
  436TIP3    H2 7618  -0.361  -3.656  -3.545
  437TIP3   OH2 7619   1.295  -3.848  -2.941
  437TIP3    H1 7620   1.219  -3.797  -2.975
  437TIP3    H2 7621   1.256  -3.891  -2.864
  438TIP3   OH2 7622  -0.148  -4.049  -3.096
  438TIP3    H1 7623  -0.177  -3.991  -3.169
  438TIP3    H2 7624  -0.216  -4.028  -3.028
  439TIP3   OH2 7625   0.599  -3.083  -3.749
  439TIP3    H1 7626   0.571  -3.104  -3.838
  439TIP3    H2 7627   0.557  -2.997  -3.733
  440TIP3   OH2 7628   0.145  -3.270  -3.073
  440TIP3    H1 7629   0.071  -3.210  -3.054
  440TIP3    H2 7630   0.208  -3.212  -3.120
  441TIP3   OH2 7631   0.952  -4.011  -3.469
  441TIP3    H1 7632   0.904  -4.067  -3.407
  441TIP3    H2 7633   0.997  -3.949  -3.410
  442TIP3   OH2 7634  -0.160  -3.872  -3.324
  442TIP3    H1 7635  -0.101  -3.806  -3.282
  442TIP3    H2 7636  -0.113  -3.879  -3.409
  443TIP3   OH2 7637  -0.062  -3.083  -3.016
  443TIP3    H1 7638  -0.060  -2.987  -3.034
  443TIP3    H2 7639  -0.143  -3.089  -2.962
  444TIP3   OH2 7640  -0.427  -3.113  -3.914
  444TIP3    H1 7641  -0.443  -3.076  -4.003
  444TIP3    H2 7642  -0.411  -3.035  -3.858
  445TIP3   OH2 7643   0.920  -2.968  -3.240
  445TIP3    H1 7644   0.823  -2.955  -3.237
  445TIP3    H2 7645   0.948  -2.882  -3.275
  446TIP3   OH2 7646   0.963  -4.109  -3.065
  446TIP3    H1 7647   0.882  -4.079  -3.110
  446TIP3    H2 7648   1.028  -4.099  -3.137
  447TIP3   OH2 7649   0.276   4.370  -3.328
  447TIP3    H1 7650   0.272   4.286  -3.375
  447TIP3    H2 7651   0.186   4.407  -3.333
  448TIP3   OH2 7652   0.749  -2.773  -3.586
  448TIP3    H1 7653   0.798  -2.853  -3.613
  448TIP3    H2 7654   0.819  -2.705  -3.590
  449TIP3   OH2 7655   0.895  -2.986  -3.719
  449TIP3    H1 7656   0.845  -3.033  -3.787
  449TIP3    H2 7657   0.891  -3.050  -3.645
  450TIP3   OH2 7658   1.050  -3.105  -2.871
  450TIP3    H1 7659   1.039  -3.169  -2.943
  450TIP3    H2 7660   1.062  -3.021  -2.920
  451TIP3   OH2 7661   0.480  -3.415  -3.906
  451TIP3    H1 7662   0.413  -3.355  -3.944
  451TIP3    H2 7663   0.553  -3.408  -3.968
  452TIP3   OH2 7664   0.494  -3.591  -4.207
  452TIP3    H1 7665   0.561  -3.562  -4.143
  452TIP3    H2 7666   0.549  -3.652  -4.262
  453TIP3   OH2 7667   1.226  -3.488  -3.077
  453TIP3    H1 7668   1.153  -3.423  -3.068
  453TIP3    H2 7669   1.273  -3.453  -3.155
  454TIP3   OH2 7670   0.827  -3.415  -3.795
  454TIP3    H1 7671   0.758  -3.394  -3.728
  454TIP3    H2 7672   0.887  -3.472  -3.742
  455TIP3   OH2 7673   0.812  -3.562  -2.910
  455TIP3    H1 7674   0.816  -3.481  -2.857
  455TIP3    H2 7675   0.746  -3.533  -2.976
  456TIP3   OH2 7676   0.120  -3.001  -3.342
  456TIP3    H1 7677   0.121  -3.036  -3.431
  456TIP3    H2 7678   0.200  -3.043  -3.304
  457TIP3   OH2 7679   0.028  -3.395  -3.314
  457TIP3    H1 7680   0.081  -3.462  -3.361
  457TIP3    H2 7681   0.078  -3.385  -3.230
  458TIP3   OH2 7682   0.638  -2.904  -3.210
  458TIP3    H1 7683   0.642  -2.838  -3.139
  458TIP3    H2 7684   0.617  -2.987  -3.162
  459TIP3   OH2 7685   0.130  -3.024  -2.783
  459TIP3    H1 7686   0.080  -2.957  -2.733
  459TIP3    H2 7687   0.065  -3.050  -2.852
  460TIP3   OH2 7688   0.735  -3.467  -4.057
  460TIP3    H1 7689   0.776  -3.443  -3.971
  460TIP3    H2 7690   0.797  -3.425  -4.120
  461TIP3   OH2 7691  -0.182  -3.378  -2.880
  461TIP3    H1 7692  -0.172  -3.327  -2.797
  461TIP3    H2 7693  -0.276  -3.400  -2.878
  462TIP3   OH2 7694   0.461  -2.811  -3.692
  462TIP3    H1 7695   0.517  -2.784  -3.618
  462TIP3    H2 7696   0.421  -2.727  -3.719
  463TIP3   OH2 7697  -0.060  -2.807  -2.702
  463TIP3    H1 7698  -0.072  -2.802  -2.799
  463TIP3    H2 7699  -0.148  -2.834  -2.670
  464TIP3   OH2 7700   1.057  -4.338  -4.126
  464TIP3    H1 7701   0.996  -4.330  -4.050
  464TIP3    H2 7702   1.119  -4.267  -4.107
  465TIP3   OH2 7703  -0.129  -3.432  -3.812
  465TIP3    H1 7704  -0.135  -3.386  -3.897
  465TIP3    H2 7705  -0.149  -3.524  -3.834
  466TIP3   OH2 7706   1.183  -2.876  -4.253
  466TIP3    H1 7707   1.207  -2.792  -4.210
  466TIP3    H2 7708   1.260  -2.933  -4.235
  467TIP3   OH2 7709  -0.510  -3.197  -2.994
  467TIP3    H1 7710  -0.565  -3.196  -3.076
  467TIP3    H2 7711  -0.504  -3.292  -2.974
  468TIP3   OH2 7712  -0.510  -2.904  -3.298
  468TIP3    H1 7713  -0.417  -2.929  -3.289
  468TIP3    H2 7714  -0.519  -2.842  -3.224
  469TIP3   OH2 7715   1.329  -2.842  -2.719
  469TIP3    H1 7716   1.317  -2.937  -2.736
  469TIP3    H2 7717   1.238  -2.817  -2.690
  470TIP3   OH2 7718   0.393  -2.919  -2.840
  470TIP3    H1 7719   0.402  -2.837  -2.787
  470TIP3    H2 7720   0.304  -2.949  -2.815
  471TIP3   OH2 7721   0.425  -2.540  -3.847
  471TIP3    H1 7722   0.423  -2.527  -3.944
  471TIP3    H2 7723   0.428  -2.449  -3.813
  472TIP3   OH2 7724  -0.198  -2.628  -3.681
  472TIP3    H1 7725  -0.181  -2.670  -3.594
  472TIP3    H2 7726  -0.285  -2.663  -3.702
  473TIP3   OH2 7727   0.730  -2.566  -4.102
  473TIP3    H1 7728   0.780  -2.601  -4.177
  473TIP3    H2 7729   0.748  -2.630  -4.030
  474TIP3   OH2 7730   0.697  -2.673  -3.849
  474TIP3    H1 7731   0.607  -2.642  -3.832
  474TIP3    H2 7732   0.714  -2.727  -3.770
  475TIP3   OH2 7733   1.009  -3.708  -2.680
  475TIP3    H1 7734   0.956  -3.669  -2.751
  475TIP3    H2 7735   1.015  -3.801  -2.709
  476TIP3   OH2 7736  -0.296  -3.040  -2.865
  476TIP3    H1 7737  -0.269  -3.088  -2.784
  476TIP3    H2 7738  -0.368  -3.097  -2.900
  477TIP3   OH2 7739   0.022  -4.216  -3.277
  477TIP3    H1 7740  -0.061  -4.244  -3.319
  477TIP3    H2 7741  -0.007  -4.137  -3.229
  478TIP3   OH2 7742   0.483  -4.260  -2.915
  478TIP3    H1 7743   0.498  -4.309  -2.833
  478TIP3    H2 7744   0.389  -4.277  -2.929
  479TIP3   OH2 7745   0.779  -3.863  -2.873
  479TIP3    H1 7746   0.719  -3.875  -2.797
  479TIP3    H2 7747   0.772  -3.768  -2.892
  480TIP3   OH2 7748   0.957  -3.386  -4.253
  480TIP3    H1 7749   0.912  -3.403  -4.337
  480TIP3    H2 7750   0.987  -3.295  -4.270
  481TIP3   OH2 7751   0.442  -3.997  -4.213
  481TIP3    H1 7752   0.387  -3.995  -4.132
  481TIP3    H2 7753   0.394  -4.065  -4.262
  482TIP3   OH2 7754   0.005  -3.718  -3.146
  482TIP3    H1 7755  -0.060  -3.703  -3.076
  482TIP3    H2 7756   0.003  -3.636  -3.197
  483TIP3   OH2 7757   0.570  -3.654  -3.785
  483TIP3    H1 7758   0.528  -3.572  -3.818
  483TIP3    H2 7759   0.632  -3.674  -3.856
  484TIP3   OH2 7760   0.483  -3.632  -2.649
  484TIP3    H1 7761   0.433  -3.707  -2.611
  484TIP3    H2 7762   0.570  -3.643  -2.606
  485TIP3   OH2 7763   0.651  -3.711  -3.504
  485TIP3    H1 7764   0.621  -3.654  -3.578
  485TIP3    H2 7765   0.669  -3.793  -3.554
  486TIP3   OH2 7766  -0.259  -3.691  -2.972
  486TIP3    H1 7767  -0.221  -3.667  -2.887
  486TIP3    H2 7768  -0.296  -3.779  -2.951
  487TIP3   OH2 7769   0.117  -3.958  -4.312
  487TIP3    H1 7770   0.089  -3.984  -4.223
  487TIP3    H2 7771   0.040  -3.908  -4.344
  488TIP3   OH2 7772  -0.566  -3.950  -3.601
  488TIP3    H1 7773  -0.512  -3.962  -3.521
  488TIP3    H2 7774  -0.517  -3.997  -3.670
  489TIP3   OH2 7775  -0.424  -3.917  -4.047
  489TIP3    H1 7776  -0.354  -3.868  -4.093
  489TIP3    H2 7777  -0.481  -3.845  -4.014
  490TIP3   OH2 7778   0.560  -3.543  -3.057
  490TIP3    H1 7779   0.603  -3.615  -3.110
  490TIP3    H2 7780   0.527  -3.592  -2.981
  491TIP3   OH2 7781   0.255  -3.967  -3.564
  491TIP3    H1 7782   0.169  -3.925  -3.546
  491TIP3    H2 7783   0.293  -3.975  -3.476
  492TIP3   OH2 7784  -0.241  -3.799  -3.736
  492TIP3    H1 7785  -0.336  -3.808  -3.724
  492TIP3    H2 7786  -0.204  -3.889  -3.728
  493TIP3   OH2 7787   0.087  -3.802  -3.933
  493TIP3    H1 7788   0.168  -3.781  -3.884
  493TIP3    H2 7789   0.067  -3.722  -3.982
  494TIP3   OH2 7790   0.715  -4.031  -3.254
  494TIP3    H1 7791   0.650  -4.035  -3.182
  494TIP3    H2 7792   0.662  -4.065  -3.327
  495TIP3   OH2 7793  -0.050  -3.663  -4.166
  495TIP3    H1 7794  -0.099  -3.731  -4.215
  495TIP3    H2 7795   0.035  -3.660  -4.212
  496TIP3   OH2 7796   1.018  -2.454  -2.589
  496TIP3    H1 7797   1.043  -2.409  -2.672
  496TIP3    H2 7798   1.091  -2.426  -2.530
  497TIP3   OH2 7799  -0.189  -3.194  -2.648
  497TIP3    H1 7800  -0.121  -3.187  -2.577
  497TIP3    H2 7801  -0.269  -3.196  -2.592
  498TIP3   OH2 7802   0.388  -3.677  -3.374
  498TIP3    H1 7803   0.445  -3.728  -3.431
  498TIP3    H2 7804   0.354  -3.743  -3.311
  499TIP3   OH2 7805  -0.100  -4.056  -3.730
  499TIP3    H1 7806  -0.139  -4.144  -3.730
  499TIP3    H2 7807  -0.018  -4.068  -3.779
  500TIP3   OH2 7808   0.279  -3.845  -3.156
  500TIP3    H1 7809   0.202  -3.785  -3.152
  500TIP3    H2 7810   0.329  -3.820  -3.076
  501TIP3   OH2 7811   0.289  -3.209  -3.957
  501TIP3    H1 7812   0.215  -3.261  -3.992
  501TIP3    H2 7813   0.273  -3.212  -3.860
  502TIP3   OH2 7814   1.016  -3.293  -3.087
  502TIP3    H1 7815   1.065  -3.239  -3.152
  502TIP3    H2 7816   0.930  -3.305  -3.132
  503TIP3   OH2 7817   0.711  -3.928  -4.193
  503TIP3    H1 7818   0.614  -3.938  -4.186
  503TIP3    H2 7819   0.733  -3.859  -4.127
  504TIP3   OH2 7820   0.454  -3.210  -2.830
  504TIP3    H1 7821   0.431  -3.241  -2.741
  504TIP3    H2 7822   0.428  -3.116  -2.827
  505TIP3   OH2 7823   0.771  -3.750  -3.990
  505TIP3    H1 7824   0.855  -3.766  -3.944
  505TIP3    H2 7825   0.785  -3.661  -4.029
  506TIP3   OH2 7826   0.538  -3.076  -4.070
  506TIP3    H1 7827   0.510  -2.987  -4.038
  506TIP3    H2 7828   0.462  -3.129  -4.041
  507TIP3   OH2 7829  -0.469  -3.443  -2.850
  507TIP3    H1 7830  -0.451  -3.487  -2.765
  507TIP3    H2 7831  -0.525  -3.507  -2.896
  508TIP3   OH2 7832   0.230  -3.493  -2.657
  508TIP3    H1 7833   0.202  -3.516  -2.747
  508TIP3    H2 7834   0.323  -3.521  -2.659
  509TIP3   OH2 7835   0.684  -2.951  -2.882
  509TIP3    H1 7836   0.587  -2.941  -2.887
  509TIP3    H2 7837   0.701  -2.924  -2.790
  510TIP3   OH2 7838   1.243  -3.738  -4.002
  510TIP3    H1 7839   1.177  -3.756  -4.072
  510TIP3    H2 7840   1.254  -3.643  -4.017
  511TIP3   OH2 7841   1.282  -3.141  -2.724
  511TIP3    H1 7842   1.188  -3.119  -2.742
  511TIP3    H2 7843   1.315  -3.158  -2.814
  512TIP3   OH2 7844   1.068  -2.881  -3.990
  512TIP3    H1 7845   1.036  -2.957  -3.940
  512TIP3    H2 7846   1.094  -2.921  -4.075
  513TIP3   OH2 7847   0.781  -3.350  -3.257
  513TIP3    H1 7848   0.688  -3.366  -3.281
  513TIP3    H2 7849   0.825  -3.423  -3.305
  514TIP3   OH2 7850   0.042  -2.947  -3.654
  514TIP3    H1 7851   0.092  -2.864  -3.663
  514TIP3    H2 7852  -0.047  -2.917  -3.677
  515TIP3   OH2 7853  -0.363  -3.407  -4.243
  515TIP3    H1 7854  -0.304  -3.379  -4.170
  515TIP3    H2 7855  -0.448  -3.413  -4.195
  516TIP3   OH2 7856   0.208  -3.190  -3.686
  516TIP3    H1 7857   0.179  -3.098  -3.673
  516TIP3    H2 7858   0.135  -3.240  -3.647
  517TIP3   OH2 7859   0.245  -2.747  -3.056
  517TIP3    H1 7860   0.301  -2.672  -3.082
  517TIP3    H2 7861   0.306  -2.797  -2.999
  518TIP3   OH2 7862   0.089  -2.652  -3.734
  518TIP3    H1 7863  -0.006  -2.636  -3.724
  518TIP3    H2 7864   0.126  -2.566  -3.708
  519TIP3   OH2 7865   0.586  -3.172  -3.099
  519TIP3    H1 7866   0.558  -3.200  -3.010
  519TIP3    H2 7867   0.659  -3.233  -3.116
  520TIP3   OH2 7868   0.796  -3.029  -4.200
  520TIP3    H1 7869   0.852  -3.072  -4.133
  520TIP3    H2 7870   0.709  -3.048  -4.160
  521TIP3   OH2 7871   0.880  -2.715  -2.859
  521TIP3    H1 7872   0.804  -2.759  -2.902
  521TIP3    H2 7873   0.892  -2.635  -2.913
  522TIP3   OH2 7874   1.293  -2.598  -4.160
  522TIP3    H1 7875   1.360  -2.528  -4.145
  522TIP3    H2 7876   1.210  -2.550  -4.140
  523TIP3   OH2 7877  -0.332  -3.960  -2.896
  523TIP3    H1 7878  -0.425  -3.943  -2.924
  523TIP3    H2 7879  -0.346  -4.046  -2.850
  524TIP3   OH2 7880   0.899  -3.182  -3.969
  524TIP3    H1 7881   0.873  -3.253  -3.907
  524TIP3    H2 7882   0.997  -3.185  -3.961
  525TIP3   OH2 7883  -0.356  -2.805  -3.051
  525TIP3    H1 7884  -0.329  -2.895  -3.026
  525TIP3    H2 7885  -0.338  -2.758  -2.968
  526TIP3   OH2 7886   0.247  -2.939  -4.337
  526TIP3    H1 7887   0.289  -3.023  -4.364
  526TIP3    H2 7888   0.200  -2.967  -4.256
  527TIP3   OH2 7889   0.104  -2.988  -4.075
  527TIP3    H1 7890   0.160  -3.039  -4.015
  527TIP3    H2 7891   0.125  -2.896  -4.049
  528TIP3   OH2 7892  -0.209  -3.251  -4.043
  528TIP3    H1 7893  -0.282  -3.215  -3.990
  528TIP3    H2 7894  -0.159  -3.170  -4.064
  529TIP3   OH2 7895   0.551  -4.004  -3.022
  529TIP3    H1 7896   0.619  -3.982  -2.957
  529TIP3    H2 7897   0.519  -4.091  -2.992
  530TIP3   OH2 7898   0.640  -4.050  -3.923
  530TIP3    H1 7899   0.656  -3.985  -3.993
  530TIP3    H2 7900   0.670  -4.002  -3.844
  531TIP3   OH2 7901   0.399  -2.827  -4.030
  531TIP3    H1 7902   0.325  -2.772  -4.000
  531TIP3    H2 7903   0.456  -2.761  -4.071
  532TIP3   OH2 7904   0.364  -3.855  -3.805
  532TIP3    H1 7905   0.438  -3.793  -3.788
  532TIP3    H2 7906   0.327  -3.868  -3.716
  533TIP3   OH2 7907   0.400  -3.759  -2.899
  533TIP3    H1 7908   0.413  -3.711  -2.815
  533TIP3    H2 7909   0.455  -3.837  -2.887
  534TIP3   OH2 7910   0.440  -4.166  -3.714
  534TIP3    H1 7911   0.409  -4.090  -3.662
  534TIP3    H2 7912   0.496  -4.124  -3.782
  535TIP3   OH2 7913   0.117  -2.706  -4.026
  535TIP3    H1 7914   0.127  -2.621  -4.074
  535TIP3    H2 7915   0.109  -2.677  -3.933
  536TIP3   OH2 7916  -0.011  -4.035  -4.057
  536TIP3    H1 7917  -0.008  -3.953  -4.003
  536TIP3    H2 7918   0.075  -4.074  -4.030
  537TIP3   OH2 7919   1.041  -3.963  -2.819
  537TIP3    H1 7920   0.944  -3.952  -2.826
  537TIP3    H2 7921   1.059  -3.990  -2.910
  538TIP3   OH2 7922   0.882  -3.574  -3.410
  538TIP3    H1 7923   0.798  -3.619  -3.434
  538TIP3    H2 7924   0.930  -3.646  -3.362
  539TIP3   OH2 7925  -0.166  -2.955  -4.178
  539TIP3    H1 7926  -0.097  -2.915  -4.123
  539TIP3    H2 7927  -0.112  -3.020  -4.227
  540TIP3   OH2 7928  -0.336  -3.733  -4.271
  540TIP3    H1 7929  -0.327  -3.644  -4.232
  540TIP3    H2 7930  -0.431  -3.744  -4.282
  541TIP3   OH2 7931   0.984  -2.690  -3.272
  541TIP3    H1 7932   0.967  -2.606  -3.319
  541TIP3    H2 7933   1.076  -2.677  -3.244
  542TIP3   OH2 7934  -0.338  -4.243  -3.357
  542TIP3    H1 7935  -0.294  -4.242  -3.443
  542TIP3    H2 7936  -0.314  -4.333  -3.328
  543TIP3   OH2 7937  -0.368  -2.888  -3.746
  543TIP3    H1 7938  -0.446  -2.836  -3.724
  543TIP3    H2 7939  -0.328  -2.835  -3.816
  544TIP3   OH2 7940  -0.425  -2.599  -2.629
  544TIP3    H1 7941  -0.368  -2.626  -2.555
  544TIP3    H2 7942  -0.464  -2.684  -2.656
  545TIP3   OH2 7943   0.036  -2.695  -2.449
  545TIP3    H1 7944   0.112  -2.752  -2.428
  545TIP3    H2 7945   0.021  -2.719  -2.542
  546TIP3   OH2 7946   0.468  -2.757  -4.330
  546TIP3    H1 7947   0.387  -2.811  -4.326
  546TIP3    H2 7948   0.532  -2.826  -4.356
  547TIP3   OH2 7949   0.691  -2.865  -2.592
  547TIP3    H1 7950   0.654  -2.947  -2.554
  547TIP3    H2 7951   0.761  -2.842  -2.528
  548TIP3   OH2 7952   0.867  -2.822   4.283
  548TIP3    H1 7953   0.856  -2.868   4.368
  548TIP3    H2 7954   0.958  -2.791   4.285
  549TIP3   OH2 7955  -0.429  -3.236  -2.515
  549TIP3    H1 7956  -0.420  -3.326  -2.549
  549TIP3    H2 7957  -0.506  -3.205  -2.566
  550TIP3   OH2 7958  -0.047  -3.187  -4.311
  550TIP3    H1 7959  -0.001  -3.244  -4.247
  550TIP3    H2 7960   0.022  -3.175  -4.380
  551TIP3   OH2 7961   0.228  -3.217  -2.581
  551TIP3    H1 7962   0.204  -3.184  -2.669
  551TIP3    H2 7963   0.240  -3.312  -2.596
  552TIP3   OH2 7964   0.527  -3.075  -4.347
  552TIP3    H1 7965   0.542  -3.065  -4.251
  552TIP3    H2 7966   0.590  -3.145  -4.371
  553TIP3   OH2 7967   0.769  -3.253  -2.844
  553TIP3    H1 7968   0.849  -3.201  -2.862
  553TIP3    H2 7969   0.701  -3.184  -2.846
  554TIP3   OH2 7970  -0.343  -3.521  -2.601
  554TIP3    H1 7971  -0.269  -3.585  -2.601
  554TIP3    H2 7972  -0.350  -3.503  -2.506
  555TIP3   OH2 7973   0.098  -3.386  -4.084
  555TIP3    H1 7974   0.047  -3.439  -4.022
  555TIP3    H2 7975   0.133  -3.454  -4.144
  556TIP3   OH2 7976   0.017  -3.611  -2.861
  556TIP3    H1 7977  -0.027  -3.529  -2.833
  556TIP3    H2 7978   0.088  -3.577  -2.919
  557TIP3   OH2 7979   0.215  -3.566  -4.281
  557TIP3    H1 7980   0.225  -3.597  -4.373
  557TIP3    H2 7981   0.309  -3.572  -4.252
  558TIP3   OH2 7982   0.551  -3.338  -2.502
  558TIP3    H1 7983   0.642  -3.356  -2.530
  558TIP3    H2 7984   0.527  -3.421  -2.458
  559TIP3   OH2 7985   0.079  -3.880  -2.745
  559TIP3    H1 7986   0.089  -3.946  -2.816
  559TIP3    H2 7987   0.061  -3.799  -2.796
  560TIP3   OH2 7988   0.119  -4.036  -3.003
  560TIP3    H1 7989   0.172  -3.983  -3.065
  560TIP3    H2 7990   0.028  -4.025  -3.039
  561TIP3   OH2 7991   0.265  -3.489  -2.956
  561TIP3    H1 7992   0.351  -3.499  -3.001
  561TIP3    H2 7993   0.239  -3.400  -2.986
  562TIP3   OH2 7994   0.726  -3.694  -2.480
  562TIP3    H1 7995   0.747  -3.787  -2.461
  562TIP3    H2 7996   0.815  -3.655  -2.481
  563TIP3   OH2 7997   0.824  -3.415  -2.630
  563TIP3    H1 7998   0.790  -3.354  -2.698
  563TIP3    H2 7999   0.914  -3.431  -2.666
  564TIP3   OH2 8000  -0.099  -3.695  -2.564
  564TIP3    H1 8001  -0.150  -3.778  -2.562
  564TIP3    H2 8002  -0.017  -3.724  -2.607
  565TIP3   OH2 8003   0.173  -4.276  -2.872
  565TIP3    H1 8004   0.175  -4.188  -2.914
  565TIP3    H2 8005   0.096  -4.315  -2.917
  566TIP3   OH2 8006   0.314  -3.843  -2.585
  566TIP3    H1 8007   0.284  -3.871  -2.497
  566TIP3    H2 8008   0.234  -3.864  -2.637
  567TIP3   OH2 8009   0.575  -3.944  -2.686
  567TIP3    H1 8010   0.485  -3.931  -2.650
  567TIP3    H2 8011   0.611  -4.010  -2.624
  568TIP3   OH2 8012   0.747  -4.136  -2.517
  568TIP3    H1 8013   0.729  -4.223  -2.479
  568TIP3    H2 8014   0.731  -4.076  -2.442
  569TIP3   OH2 8015  -0.220  -3.958  -2.575
  569TIP3    H1 8016  -0.244  -4.020  -2.646
  569TIP3    H2 8017  -0.263  -3.999  -2.498
  570TIP3   OH2 8018   0.276  -4.146  -2.476
  570TIP3    H1 8019   0.255  -4.229  -2.522
  570TIP3    H2 8020   0.190  -4.100  -2.471
  571TIP3   OH2 8021   0.177  -2.463  -4.174
  571TIP3    H1 8022   0.273  -2.448  -4.161
  571TIP3    H2 8023   0.154  -2.397  -4.241
  572TIP3   OH2 8024  -0.434  -3.062  -4.185
  572TIP3    H1 8025  -0.351  -3.013  -4.198
  572TIP3    H2 8026  -0.467  -3.079  -4.275
  573TIP3   OH2 8027  -0.534  -2.503  -3.721
  573TIP3    H1 8028  -0.607  -2.537  -3.776
  573TIP3    H2 8029  -0.530  -2.569  -3.650
  574TIP3   OH2 8030  -0.497  -2.699  -3.520
  574TIP3    H1 8031  -0.529  -2.785  -3.488
  574TIP3    H2 8032  -0.464  -2.663  -3.437
  575TIP3   OH2 8033   1.257  -2.578  -3.221
  575TIP3    H1 8034   1.267  -2.569  -3.125
  575TIP3    H2 8035   1.340  -2.539  -3.251
  576TIP3   OH2 8036   1.243  -2.627  -2.931
  576TIP3    H1 8037   1.194  -2.703  -2.967
  576TIP3    H2 8038   1.301  -2.671  -2.867
  577TIP3   OH2 8039   1.045  -3.085  -2.503
  577TIP3    H1 8040   0.957  -3.077  -2.463
  577TIP3    H2 8041   1.090  -3.005  -2.471
  578TIP3   OH2 8042   1.185  -3.202  -3.930
  578TIP3    H1 8043   1.275  -3.166  -3.916
  578TIP3    H2 8044   1.180  -3.265  -3.856
  579TIP3   OH2 8045   1.231  -3.402  -3.732
  579TIP3    H1 8046   1.163  -3.456  -3.687
  579TIP3    H2 8047   1.298  -3.388  -3.663
  580TIP3   OH2 8048   1.203  -3.149  -3.234
  580TIP3    H1 8049   1.266  -3.197  -3.289
  580TIP3    H2 8050   1.217  -3.057  -3.264
  581TIP3   OH2 8051   1.075  -2.858  -3.010
  581TIP3    H1 8052   1.003  -2.817  -2.959
  581TIP3    H2 8053   1.028  -2.894  -3.087
  582TIP3   OH2 8054   1.258  -3.434  -4.109
  582TIP3    H1 8055   1.196  -3.403  -4.176
  582TIP3    H2 8056   1.241  -3.368  -4.039
  583TIP3   OH2 8057   1.077  -3.696  -4.219
  583TIP3    H1 8058   1.110  -3.621  -4.270
  583TIP3    H2 8059   1.123  -3.770  -4.261
  584TIP3   OH2 8060   1.025  -3.585  -3.650
  584TIP3    H1 8061   1.016  -3.680  -3.667
  584TIP3    H2 8062   0.986  -3.576  -3.560
  585TIP3   OH2 8063  -0.471  -3.363  -3.322
  585TIP3    H1 8064  -0.456  -3.426  -3.393
  585TIP3    H2 8065  -0.401  -3.388  -3.259
  586TIP3   OH2 8066   1.085  -3.393  -2.736
  586TIP3    H1 8067   1.159  -3.455  -2.718
  586TIP3    H2 8068   1.132  -3.310  -2.754
  587TIP3   OH2 8069   1.241  -3.583  -2.616
  587TIP3    H1 8070   1.161  -3.636  -2.638
  587TIP3    H2 8071   1.310  -3.652  -2.616
  588TIP3   OH2 8072   1.005  -4.028  -4.340
  588TIP3    H1 8073   1.062  -4.043  -4.264
  588TIP3    H2 8074   0.915  -4.045  -4.307
  589TIP3   OH2 8075   1.002  -3.826  -3.837
  589TIP3    H1 8076   1.021  -3.922  -3.828
  589TIP3    H2 8077   1.087  -3.794  -3.871
  590TIP3   OH2 8078   1.034  -3.773  -3.292
  590TIP3    H1 8079   1.132  -3.768  -3.292
  590TIP3    H2 8080   1.018  -3.777  -3.196
  591TIP3   OH2 8081   1.049  -3.707  -3.006
  591TIP3    H1 8082   0.964  -3.665  -2.980
  591TIP3    H2 8083   1.103  -3.628  -3.028
  592TIP3   OH2 8084  -0.505  -3.835  -2.626
  592TIP3    H1 8085  -0.413  -3.859  -2.644
  592TIP3    H2 8086  -0.549  -3.921  -2.630
  593TIP3   OH2 8087   1.262  -4.281  -2.430
  593TIP3    H1 8088   1.316  -4.357  -2.454
  593TIP3    H2 8089   1.265  -4.220  -2.507
  594TIP3   OH2 8090   1.037  -4.097  -3.824
  594TIP3    H1 8091   1.056  -4.148  -3.744
  594TIP3    H2 8092   0.976  -4.158  -3.869
  595TIP3   OH2 8093  -0.427  -3.989  -3.357
  595TIP3    H1 8094  -0.400  -4.083  -3.347
  595TIP3    H2 8095  -0.343  -3.945  -3.333
  596TIP3   OH2 8096  -0.567  -3.726  -3.259
  596TIP3    H1 8097  -0.508  -3.737  -3.335
  596TIP3    H2 8098  -0.527  -3.653  -3.211
  597TIP3   OH2 8099   1.244  -4.113  -2.644
  597TIP3    H1 8100   1.159  -4.065  -2.635
  597TIP3    H2 8101   1.233  -4.147  -2.735
  598TIP3   OH2 8102   1.257  -4.072  -4.174
  598TIP3    H1 8103   1.281  -4.147  -4.230
  598TIP3    H2 8104   1.338  -4.020  -4.171
  599TIP3   OH2 8105  -0.516  -4.097  -3.850
  599TIP3    H1 8106  -0.610  -4.095  -3.873
  599TIP3    H2 8107  -0.476  -4.034  -3.912
  600TIP3   OH2 8108   0.942  -2.571  -3.642
  600TIP3    H1 8109   0.993  -2.597  -3.720
  600TIP3    H2 8110   1.010  -2.531  -3.586
  601TIP3   OH2 8111  -0.541  -4.125  -3.000
  601TIP3    H1 8112  -0.540  -4.218  -2.971
  601TIP3    H2 8113  -0.554  -4.137  -3.095
  602TIP3   OH2 8114  -0.316  -2.901  -2.565
  602TIP3    H1 8115  -0.387  -2.899  -2.631
  602TIP3    H2 8116  -0.364  -2.895  -2.482
  603TIP3   OH2 8117  -0.031  -2.800  -3.001
  603TIP3    H1 8118  -0.062  -2.714  -3.034
  603TIP3    H2 8119   0.065  -2.789  -3.017
  604TIP3   OH2 8120   0.419  -2.668  -2.698
  604TIP3    H1 8121   0.435  -2.685  -2.604
  604TIP3    H2 8122   0.502  -2.623  -2.724
  605TIP3   OH2 8123   0.647  -2.523  -2.775
  605TIP3    H1 8124   0.717  -2.586  -2.797
  605TIP3    H2 8125   0.678  -2.490  -2.688
  606TIP3   OH2 8126   1.108  -4.276  -2.854
  606TIP3    H1 8127   1.056  -4.215  -2.909
  606TIP3    H2 8128   1.126  -4.345  -2.920
  607TIP3   OH2 8129  -0.296  -2.505  -2.966
  607TIP3    H1 8130  -0.354  -2.440  -3.010
  607TIP3    H2 8131  -0.327  -2.497  -2.875
  608TIP3   OH2 8132  -0.046  -2.526  -3.112
  608TIP3    H1 8133  -0.130  -2.505  -3.068
  608TIP3    H2 8134  -0.040  -2.456  -3.180
  609TIP3   OH2 8135   0.428  -2.526  -3.155
  609TIP3    H1 8136   0.394  -2.479  -3.233
  609TIP3    H2 8137   0.439  -2.452  -3.092
  610TIP3   OH2 8138   0.664  -2.654  -3.064
  610TIP3    H1 8139   0.580  -2.617  -3.096
  610TIP3    H2 8140   0.721  -2.576  -3.064
  611TIP3   OH2 8141   0.915  -2.482  -3.043
  611TIP3    H1 8142   0.914  -2.386  -3.062
  611TIP3    H2 8143   0.946  -2.516  -3.129
  612TIP3   OH2 8144  -0.337  -2.624  -3.273
  612TIP3    H1 8145  -0.338  -2.671  -3.186
  612TIP3    H2 8146  -0.259  -2.666  -3.315
  613TIP3   OH2 8147  -0.135  -2.752  -3.425
  613TIP3    H1 8148  -0.147  -2.847  -3.401
  613TIP3    H2 8149  -0.043  -2.735  -3.394
  614TIP3   OH2 8150   0.139  -2.702  -3.339
  614TIP3    H1 8151   0.162  -2.794  -3.361
  614TIP3    H2 8152   0.149  -2.703  -3.243
  615TIP3   OH2 8153   0.476  -4.115  -3.412
  615TIP3    H1 8154   0.416  -4.183  -3.378
  615TIP3    H2 8155   0.530  -4.166  -3.474
  616TIP3   OH2 8156   0.994  -4.326  -3.360
  616TIP3    H1 8157   1.054  -4.291  -3.428
  616TIP3    H2 8158   0.907  -4.317  -3.402
  617TIP3   OH2 8159   1.205  -4.228  -3.579
  617TIP3    H1 8160   1.246  -4.245  -3.665
  617TIP3    H2 8161   1.211  -4.132  -3.570
  618TIP3   OH2 8162  -0.296  -4.281  -3.683
  618TIP3    H1 8163  -0.386  -4.312  -3.699
  618TIP3    H2 8164  -0.253  -4.359  -3.647
  619TIP3   OH2 8165  -0.434  -4.282  -4.067
  619TIP3    H1 8166  -0.382  -4.232  -4.133
  619TIP3    H2 8167  -0.467  -4.211  -4.010
  620TIP3   OH2 8168   0.171  -4.275  -3.674
  620TIP3    H1 8169   0.259  -4.234  -3.672
  620TIP3    H2 8170   0.150  -4.285  -3.581
  621TIP3   OH2 8171   0.730  -4.272  -3.517
  621TIP3    H1 8172   0.722  -4.270  -3.613
  621TIP3    H2 8173   0.686  -4.359  -3.498
  622TIP3   OH2 8174   0.826  -4.274  -3.932
  622TIP3    H1 8175   0.748  -4.216  -3.946
  622TIP3    H2 8176   0.785  -4.356  -3.900
  623TIP3   OH2 8177  -0.401  -2.697  -3.966
  623TIP3    H1 8178  -0.475  -2.697  -4.030
  623TIP3    H2 8179  -0.402  -2.604  -3.940
  624TIP3   OH2 8180  -0.238  -4.120  -4.222
  624TIP3    H1 8181  -0.175  -4.163  -4.281
  624TIP3    H2 8182  -0.178  -4.063  -4.170
  625TIP3   OH2 8183   0.275  -4.058  -3.984
  625TIP3    H1 8184   0.294  -4.144  -3.942
  625TIP3    H2 8185   0.300  -3.994  -3.914
  626TIP3   OH2 8186   0.460  -2.530  -4.146
  626TIP3    H1 8187   0.557  -2.515  -4.137
  626TIP3    H2 8188   0.460  -2.591  -4.222
  627TIP3   OH2 8189   1.138  -2.613  -3.884
  627TIP3    H1 8190   1.108  -2.696  -3.927
  627TIP3    H2 8191   1.115  -2.546  -3.951
  628TIP3   OH2 8192  -0.330  -4.177  -2.732
  628TIP3    H1 8193  -0.376  -4.256  -2.700
  628TIP3    H2 8194  -0.242  -4.216  -2.745
  629TIP3   OH2 8195  -0.038  -4.278  -2.467
  629TIP3    H1 8196   0.049  -4.304  -2.506
  629TIP3    H2 8197  -0.063  -4.358  -2.420
  630TIP3   OH2 8198  -0.207  -2.589  -4.231
  630TIP3    H1 8199  -0.245  -2.561  -4.147
  630TIP3    H2 8200  -0.136  -2.648  -4.205
  631TIP3   OH2 8201   1.077  -2.734  -2.641
  631TIP3    H1 8202   1.003  -2.752  -2.701
  631TIP3    H2 8203   1.061  -2.640  -2.621
  632TIP3   OH2 8204   2.497  -3.368  -3.628
  632TIP3    H1 8205   2.497  -3.272  -3.614
  632TIP3    H2 8206   2.418  -3.379  -3.683
  633TIP3   OH2 8207   2.382  -3.422  -3.321
  633TIP3    H1 8208   2.381  -3.477  -3.240
  633TIP3    H2 8209   2.353  -3.486  -3.388
  634TIP3   OH2 8210   1.631  -3.464  -3.154
  634TIP3    H1 8211   1.628  -3.539  -3.091
  634TIP3    H2 8212   1.699  -3.409  -3.113
  635TIP3   OH2 8213   2.748  -3.149  -3.488
  635TIP3    H1 8214   2.713  -3.219  -3.432
  635TIP3    H2 8215   2.782  -3.087  -3.422
  636TIP3   OH2 8216   1.696  -2.998  -3.306
  636TIP3    H1 8217   1.671  -3.091  -3.329
  636TIP3    H2 8218   1.788  -3.013  -3.279
  637TIP3   OH2 8219   1.397  -3.659  -3.765
  637TIP3    H1 8220   1.354  -3.573  -3.751
  637TIP3    H2 8221   1.324  -3.711  -3.802
  638TIP3   OH2 8222   1.476  -3.414  -3.579
  638TIP3    H1 8223   1.490  -3.497  -3.529
  638TIP3    H2 8224   1.560  -3.405  -3.625
  639TIP3   OH2 8225   2.456  -2.612  -3.432
  639TIP3    H1 8226   2.514  -2.684  -3.464
  639TIP3    H2 8227   2.428  -2.646  -3.346
  640TIP3   OH2 8228   2.231  -3.171  -3.265
  640TIP3    H1 8229   2.264  -3.244  -3.320
  640TIP3    H2 8230   2.311  -3.155  -3.212
  641TIP3   OH2 8231   3.086  -4.017  -3.207
  641TIP3    H1 8232   3.119  -3.972  -3.128
  641TIP3    H2 8233   3.151  -3.987  -3.273
  642TIP3   OH2 8234   2.559  -3.740  -3.211
  642TIP3    H1 8235   2.579  -3.836  -3.210
  642TIP3    H2 8236   2.550  -3.724  -3.307
  643TIP3   OH2 8237   1.856  -3.941  -3.503
  643TIP3    H1 8238   1.871  -3.856  -3.548
  643TIP3    H2 8239   1.821  -3.994  -3.577
  644TIP3   OH2 8240   2.644  -3.924  -3.672
  644TIP3    H1 8241   2.703  -3.967  -3.607
  644TIP3    H2 8242   2.708  -3.878  -3.728
  645TIP3   OH2 8243   1.528  -3.661  -3.455
  645TIP3    H1 8244   1.586  -3.711  -3.396
  645TIP3    H2 8245   1.533  -3.713  -3.537
  646TIP3   OH2 8246   2.066  -3.525  -3.510
  646TIP3    H1 8247   2.135  -3.580  -3.469
  646TIP3    H2 8248   2.014  -3.592  -3.558
  647TIP3   OH2 8249   3.180  -3.848  -2.941
  647TIP3    H1 8250   3.105  -3.796  -2.976
  647TIP3    H2 8251   3.141  -3.889  -2.864
  648TIP3   OH2 8252   1.737  -4.056  -3.087
  648TIP3    H1 8253   1.702  -4.001  -3.159
  648TIP3    H2 8254   1.670  -4.037  -3.018
  649TIP3   OH2 8255   2.486  -3.083  -3.750
  649TIP3    H1 8256   2.452  -3.104  -3.838
  649TIP3    H2 8257   2.443  -2.998  -3.731
  650TIP3   OH2 8258   2.031  -3.270  -3.077
  650TIP3    H1 8259   1.957  -3.211  -3.050
  650TIP3    H2 8260   2.092  -3.207  -3.119
  651TIP3   OH2 8261   2.833  -4.013  -3.467
  651TIP3    H1 8262   2.785  -4.060  -3.398
  651TIP3    H2 8263   2.885  -3.950  -3.415
  652TIP3   OH2 8264   1.698  -3.855  -3.293
  652TIP3    H1 8265   1.760  -3.795  -3.249
  652TIP3    H2 8266   1.755  -3.890  -3.365
  653TIP3   OH2 8267   1.829  -3.083  -3.006
  653TIP3    H1 8268   1.826  -2.990  -3.033
  653TIP3    H2 8269   1.743  -3.089  -2.960
  654TIP3   OH2 8270   1.462  -3.112  -3.919
  654TIP3    H1 8271   1.440  -3.069  -4.003
  654TIP3    H2 8272   1.476  -3.038  -3.857
  655TIP3   OH2 8273   2.805  -2.967  -3.239
  655TIP3    H1 8274   2.709  -2.953  -3.237
  655TIP3    H2 8275   2.836  -2.882  -3.275
  656TIP3   OH2 8276   2.849  -4.110  -3.066
  656TIP3    H1 8277   2.768  -4.078  -3.109
  656TIP3    H2 8278   2.915  -4.097  -3.136
  657TIP3   OH2 8279   2.159   4.381  -3.365
  657TIP3    H1 8280   2.154   4.286  -3.353
  657TIP3    H2 8281   2.072   4.413  -3.332
  658TIP3   OH2 8282   2.636  -2.772  -3.584
  658TIP3    H1 8283   2.684  -2.852  -3.614
  658TIP3    H2 8284   2.706  -2.705  -3.592
  659TIP3   OH2 8285   2.779  -2.985  -3.719
  659TIP3    H1 8286   2.730  -3.033  -3.787
  659TIP3    H2 8287   2.777  -3.050  -3.646
  660TIP3   OH2 8288   2.934  -3.105  -2.871
  660TIP3    H1 8289   2.925  -3.170  -2.943
  660TIP3    H2 8290   2.949  -3.022  -2.920
  661TIP3   OH2 8291   2.364  -3.420  -3.907
  661TIP3    H1 8292   2.298  -3.355  -3.938
  661TIP3    H2 8293   2.437  -3.405  -3.968
  662TIP3   OH2 8294   2.385  -3.590  -4.213
  662TIP3    H1 8295   2.448  -3.562  -4.145
  662TIP3    H2 8296   2.441  -3.652  -4.265
  663TIP3   OH2 8297   3.110  -3.489  -3.077
  663TIP3    H1 8298   3.039  -3.422  -3.069
  663TIP3    H2 8299   3.160  -3.454  -3.154
  664TIP3   OH2 8300   2.711  -3.417  -3.795
  664TIP3    H1 8301   2.644  -3.395  -3.727
  664TIP3    H2 8302   2.774  -3.470  -3.742
  665TIP3   OH2 8303   2.697  -3.562  -2.910
  665TIP3    H1 8304   2.703  -3.481  -2.857
  665TIP3    H2 8305   2.632  -3.532  -2.976
  666TIP3   OH2 8306   1.873  -3.337  -3.617
  666TIP3    H1 8307   1.842  -3.381  -3.698
  666TIP3    H2 8308   1.937  -3.402  -3.582
  667TIP3   OH2 8309   2.010  -2.995  -3.343
  667TIP3    H1 8310   1.998  -3.038  -3.429
  667TIP3    H2 8311   2.088  -3.042  -3.309
  668TIP3   OH2 8312   1.933  -3.458  -3.267
  668TIP3    H1 8313   1.990  -3.452  -3.345
  668TIP3    H2 8314   1.970  -3.389  -3.208
  669TIP3   OH2 8315   2.523  -2.902  -3.208
  669TIP3    H1 8316   2.530  -2.838  -3.135
  669TIP3    H2 8317   2.503  -2.986  -3.163
  670TIP3   OH2 8318   2.015  -3.025  -2.784
  670TIP3    H1 8319   1.964  -2.958  -2.734
  670TIP3    H2 8320   1.950  -3.050  -2.852
  671TIP3   OH2 8321   2.622  -3.469  -4.057
  671TIP3    H1 8322   2.661  -3.443  -3.971
  671TIP3    H2 8323   2.684  -3.425  -4.119
  672TIP3   OH2 8324   1.709  -3.385  -2.872
  672TIP3    H1 8325   1.714  -3.327  -2.793
  672TIP3    H2 8326   1.612  -3.398  -2.879
  673TIP3   OH2 8327   2.351  -2.810  -3.694
  673TIP3    H1 8328   2.404  -2.784  -3.618
  673TIP3    H2 8329   2.305  -2.728  -3.718
  674TIP3   OH2 8330   1.826  -2.809  -2.702
  674TIP3    H1 8331   1.812  -2.804  -2.798
  674TIP3    H2 8332   1.737  -2.833  -2.668
  675TIP3   OH2 8333   2.940  -4.335  -4.128
  675TIP3    H1 8334   2.892  -4.332  -4.043
  675TIP3    H2 8335   3.006  -4.266  -4.112
  676TIP3   OH2 8336   1.767  -3.464  -3.865
  676TIP3    H1 8337   1.741  -3.387  -3.919
  676TIP3    H2 8338   1.697  -3.527  -3.885
  677TIP3   OH2 8339   3.069  -2.882  -4.246
  677TIP3    H1 8340   3.095  -2.794  -4.217
  677TIP3    H2 8341   3.151  -2.933  -4.237
  678TIP3   OH2 8342   1.371  -3.196  -2.990
  678TIP3    H1 8343   1.326  -3.197  -3.077
  678TIP3    H2 8344   1.383  -3.291  -2.972
  679TIP3   OH2 8345   1.376  -2.902  -3.298
  679TIP3    H1 8346   1.468  -2.932  -3.290
  679TIP3    H2 8347   1.369  -2.842  -3.222
  680TIP3   OH2 8348   3.215  -2.840  -2.719
  680TIP3    H1 8349   3.206  -2.934  -2.741
  680TIP3    H2 8350   3.123  -2.819  -2.690
  681TIP3   OH2 8351   2.279  -2.920  -2.840
  681TIP3    H1 8352   2.287  -2.838  -2.787
  681TIP3    H2 8353   2.189  -2.950  -2.816
  682TIP3   OH2 8354   2.309  -2.539  -3.846
  682TIP3    H1 8355   2.308  -2.528  -3.943
  682TIP3    H2 8356   2.316  -2.448  -3.814
  683TIP3   OH2 8357   1.687  -2.625  -3.680
  683TIP3    H1 8358   1.705  -2.669  -3.594
  683TIP3    H2 8359   1.603  -2.666  -3.703
  684TIP3   OH2 8360   2.619  -2.567  -4.107
  684TIP3    H1 8361   2.673  -2.608  -4.175
  684TIP3    H2 8362   2.627  -2.628  -4.031
  685TIP3   OH2 8363   2.581  -2.665  -3.853
  685TIP3    H1 8364   2.489  -2.642  -3.831
  685TIP3    H2 8365   2.602  -2.726  -3.781
  686TIP3   OH2 8366   2.894  -3.709  -2.679
  686TIP3    H1 8367   2.842  -3.668  -2.750
  686TIP3    H2 8368   2.900  -3.801  -2.711
  687TIP3   OH2 8369   1.590  -3.042  -2.867
  687TIP3    H1 8370   1.617  -3.087  -2.784
  687TIP3    H2 8371   1.516  -3.096  -2.898
  688TIP3   OH2 8372   1.912  -4.219  -3.274
  688TIP3    H1 8373   1.830  -4.246  -3.318
  688TIP3    H2 8374   1.883  -4.137  -3.231
  689TIP3   OH2 8375   2.367  -4.262  -2.916
  689TIP3    H1 8376   2.384  -4.310  -2.834
  689TIP3    H2 8377   2.272  -4.277  -2.927
  690TIP3   OH2 8378   2.665  -3.863  -2.873
  690TIP3    H1 8379   2.604  -3.874  -2.797
  690TIP3    H2 8380   2.658  -3.768  -2.892
  691TIP3   OH2 8381   2.836  -3.385  -4.252
  691TIP3    H1 8382   2.800  -3.396  -4.341
  691TIP3    H2 8383   2.876  -3.297  -4.261
  692TIP3   OH2 8384   2.328  -3.998  -4.214
  692TIP3    H1 8385   2.273  -3.995  -4.133
  692TIP3    H2 8386   2.278  -4.063  -4.264
  693TIP3   OH2 8387   1.895  -3.716  -3.147
  693TIP3    H1 8388   1.836  -3.704  -3.072
  693TIP3    H2 8389   1.902  -3.624  -3.183
  694TIP3   OH2 8390   1.889  -3.708  -3.659
  694TIP3    H1 8391   1.793  -3.719  -3.674
  694TIP3    H2 8392   1.923  -3.727  -3.749
  695TIP3   OH2 8393   2.456  -3.655  -3.786
  695TIP3    H1 8394   2.416  -3.570  -3.817
  695TIP3    H2 8395   2.522  -3.671  -3.857
  696TIP3   OH2 8396   2.370  -3.633  -2.650
  696TIP3    H1 8397   2.318  -3.705  -2.611
  696TIP3    H2 8398   2.456  -3.643  -2.605
  697TIP3   OH2 8399   2.536  -3.712  -3.505
  697TIP3    H1 8400   2.508  -3.653  -3.578
  697TIP3    H2 8401   2.556  -3.793  -3.556
  698TIP3   OH2 8402   1.633  -3.697  -2.966
  698TIP3    H1 8403   1.656  -3.668  -2.877
  698TIP3    H2 8404   1.592  -3.784  -2.947
  699TIP3   OH2 8405   2.005  -3.958  -4.315
  699TIP3    H1 8406   1.973  -3.985  -4.227
  699TIP3    H2 8407   1.928  -3.906  -4.347
  700TIP3   OH2 8408   1.316  -3.946  -3.605
  700TIP3    H1 8409   1.368  -3.957  -3.523
  700TIP3    H2 8410   1.365  -3.997  -3.670
  701TIP3   OH2 8411   1.469  -3.911  -4.039
  701TIP3    H1 8412   1.526  -3.860  -4.100
  701TIP3    H2 8413   1.402  -3.844  -4.015
  702TIP3   OH2 8414   2.445  -3.543  -3.059
  702TIP3    H1 8415   2.489  -3.616  -3.108
  702TIP3    H2 8416   2.412  -3.589  -2.981
  703TIP3   OH2 8417   2.166  -3.944  -3.561
  703TIP3    H1 8418   2.072  -3.957  -3.539
  703TIP3    H2 8419   2.210  -3.971  -3.479
  704TIP3   OH2 8420   1.627  -3.826  -3.693
  704TIP3    H1 8421   1.542  -3.801  -3.732
  704TIP3    H2 8422   1.650  -3.909  -3.738
  705TIP3   OH2 8423   1.984  -3.788  -3.923
  705TIP3    H1 8424   2.080  -3.782  -3.917
  705TIP3    H2 8425   1.960  -3.728  -3.995
  706TIP3   OH2 8426   2.601  -4.033  -3.256
  706TIP3    H1 8427   2.538  -4.035  -3.181
  706TIP3    H2 8428   2.542  -4.064  -3.327
  707TIP3   OH2 8429   1.843  -3.673  -4.158
  707TIP3    H1 8430   1.780  -3.721  -4.213
  707TIP3    H2 8431   1.917  -3.657  -4.218
  708TIP3   OH2 8432   2.902  -2.448  -2.587
  708TIP3    H1 8433   2.935  -2.422  -2.675
  708TIP3    H2 8434   2.978  -2.429  -2.529
  709TIP3   OH2 8435   1.697  -3.195  -2.647
  709TIP3    H1 8436   1.764  -3.186  -2.576
  709TIP3    H2 8437   1.616  -3.197  -2.592
  710TIP3   OH2 8438   2.268  -3.694  -3.375
  710TIP3    H1 8439   2.341  -3.738  -3.421
  710TIP3    H2 8440   2.251  -3.755  -3.301
  711TIP3   OH2 8441   1.783  -4.067  -3.758
  711TIP3    H1 8442   1.735  -4.151  -3.744
  711TIP3    H2 8443   1.870  -4.098  -3.786
  712TIP3   OH2 8444   2.165  -3.848  -3.149
  712TIP3    H1 8445   2.088  -3.788  -3.149
  712TIP3    H2 8446   2.214  -3.821  -3.068
  713TIP3   OH2 8447   2.182  -3.212  -3.960
  713TIP3    H1 8448   2.104  -3.260  -3.994
  713TIP3    H2 8449   2.161  -3.204  -3.864
  714TIP3   OH2 8450   2.902  -3.294  -3.087
  714TIP3    H1 8451   2.952  -3.239  -3.151
  714TIP3    H2 8452   2.816  -3.304  -3.133
  715TIP3   OH2 8453   2.595  -3.924  -4.197
  715TIP3    H1 8454   2.498  -3.936  -4.186
  715TIP3    H2 8455   2.618  -3.859  -4.128
  716TIP3   OH2 8456   2.344  -3.208  -2.828
  716TIP3    H1 8457   2.314  -3.241  -2.742
  716TIP3    H2 8458   2.312  -3.116  -2.828
  717TIP3   OH2 8459   2.657  -3.751  -3.991
  717TIP3    H1 8460   2.742  -3.766  -3.944
  717TIP3    H2 8461   2.670  -3.661  -4.028
  718TIP3   OH2 8462   1.694  -3.270  -3.378
  718TIP3    H1 8463   1.749  -3.282  -3.457
  718TIP3    H2 8464   1.702  -3.356  -3.334
  719TIP3   OH2 8465   2.424  -3.075  -4.070
  719TIP3    H1 8466   2.396  -2.987  -4.038
  719TIP3    H2 8467   2.347  -3.129  -4.042
  720TIP3   OH2 8468   1.419  -3.444  -2.852
  720TIP3    H1 8469   1.434  -3.487  -2.766
  720TIP3    H2 8470   1.358  -3.505  -2.897
  721TIP3   OH2 8471   2.116  -3.493  -2.653
  721TIP3    H1 8472   2.080  -3.518  -2.740
  721TIP3    H2 8473   2.209  -3.519  -2.664
  722TIP3   OH2 8474   2.573  -2.938  -2.882
  722TIP3    H1 8475   2.476  -2.939  -2.888
  722TIP3    H2 8476   2.587  -2.922  -2.787
  723TIP3   OH2 8477   3.128  -3.737  -4.001
  723TIP3    H1 8478   3.062  -3.754  -4.071
  723TIP3    H2 8479   3.140  -3.642  -4.016
  724TIP3   OH2 8480   3.168  -3.142  -2.723
  724TIP3    H1 8481   3.074  -3.119  -2.743
  724TIP3    H2 8482   3.201  -3.158  -2.814
  725TIP3   OH2 8483   2.939  -2.883  -3.994
  725TIP3    H1 8484   2.928  -2.960  -3.937
  725TIP3    H2 8485   2.985  -2.920  -4.071
  726TIP3   OH2 8486   2.667  -3.350  -3.256
  726TIP3    H1 8487   2.574  -3.366  -3.280
  726TIP3    H2 8488   2.711  -3.422  -3.305
  727TIP3   OH2 8489   1.931  -2.943  -3.657
  727TIP3    H1 8490   1.972  -2.856  -3.665
  727TIP3    H2 8491   1.838  -2.923  -3.673
  728TIP3   OH2 8492   1.538  -3.451  -4.199
  728TIP3    H1 8493   1.592  -3.385  -4.152
  728TIP3    H2 8494   1.448  -3.431  -4.168
  729TIP3   OH2 8495   2.113  -3.173  -3.693
  729TIP3    H1 8496   2.083  -3.082  -3.676
  729TIP3    H2 8497   2.044  -3.224  -3.648
  730TIP3   OH2 8498   2.131  -2.747  -3.056
  730TIP3    H1 8499   2.187  -2.672  -3.082
  730TIP3    H2 8500   2.191  -2.796  -2.997
  731TIP3   OH2 8501   1.975  -2.652  -3.735
  731TIP3    H1 8502   1.879  -2.639  -3.724
  731TIP3    H2 8503   2.009  -2.565  -3.708
  732TIP3   OH2 8504   2.471  -3.171  -3.098
  732TIP3    H1 8505   2.442  -3.200  -3.010
  732TIP3    H2 8506   2.545  -3.232  -3.115
  733TIP3   OH2 8507   2.684  -3.043  -4.200
  733TIP3    H1 8508   2.739  -3.075  -4.126
  733TIP3    H2 8509   2.597  -3.053  -4.158
  734TIP3   OH2 8510   2.768  -2.710  -2.864
  734TIP3    H1 8511   2.693  -2.762  -2.899
  734TIP3    H2 8512   2.768  -2.633  -2.921
  735TIP3   OH2 8513   3.174  -2.597  -4.161
  735TIP3    H1 8514   3.248  -2.535  -4.140
  735TIP3    H2 8515   3.097  -2.542  -4.137
  736TIP3   OH2 8516   1.552  -3.961  -2.893
  736TIP3    H1 8517   1.461  -3.943  -2.924
  736TIP3    H2 8518   1.536  -4.047  -2.849
  737TIP3   OH2 8519   2.785  -3.186  -3.970
  737TIP3    H1 8520   2.760  -3.254  -3.905
  737TIP3    H2 8521   2.882  -3.184  -3.961
  738TIP3   OH2 8522   1.528  -2.804  -3.053
  738TIP3    H1 8523   1.557  -2.894  -3.030
  738TIP3    H2 8524   1.544  -2.759  -2.969
  739TIP3   OH2 8525   2.135  -2.940  -4.328
  739TIP3    H1 8526   2.174  -3.025  -4.354
  739TIP3    H2 8527   2.082  -2.967  -4.250
  740TIP3   OH2 8528   1.993  -2.984  -4.076
  740TIP3    H1 8529   2.043  -3.037  -4.012
  740TIP3    H2 8530   2.013  -2.893  -4.049
  741TIP3   OH2 8531   1.679  -3.248  -4.037
  741TIP3    H1 8532   1.603  -3.207  -3.989
  741TIP3    H2 8533   1.725  -3.168  -4.067
  742TIP3   OH2 8534   2.443  -4.009  -3.027
  742TIP3    H1 8535   2.504  -3.981  -2.958
  742TIP3    H2 8536   2.405  -4.091  -2.993
  743TIP3   OH2 8537   2.524  -4.050  -3.923
  743TIP3    H1 8538   2.538  -3.984  -3.992
  743TIP3    H2 8539   2.557  -4.003  -3.845
  744TIP3   OH2 8540   2.287  -2.827  -4.029
  744TIP3    H1 8541   2.210  -2.774  -4.001
  744TIP3    H2 8542   2.340  -2.760  -4.074
  745TIP3   OH2 8543   2.254  -3.850  -3.812
  745TIP3    H1 8544   2.329  -3.789  -3.797
  745TIP3    H2 8545   2.223  -3.866  -3.721
  746TIP3   OH2 8546   2.288  -3.761  -2.901
  746TIP3    H1 8547   2.295  -3.709  -2.818
  746TIP3    H2 8548   2.345  -3.837  -2.881
  747TIP3   OH2 8549   2.330  -4.171  -3.712
  747TIP3    H1 8550   2.295  -4.096  -3.661
  747TIP3    H2 8551   2.381  -4.126  -3.781
  748TIP3   OH2 8552   2.007  -2.707  -4.025
  748TIP3    H1 8553   2.012  -2.621  -4.072
  748TIP3    H2 8554   1.994  -2.679  -3.932
  749TIP3   OH2 8555   1.882  -4.043  -4.076
  749TIP3    H1 8556   1.875  -3.968  -4.016
  749TIP3    H2 8557   1.965  -4.083  -4.044
  750TIP3   OH2 8558   2.926  -3.964  -2.818
  750TIP3    H1 8559   2.829  -3.952  -2.827
  750TIP3    H2 8560   2.946  -3.988  -2.909
  751TIP3   OH2 8561   2.767  -3.574  -3.409
  751TIP3    H1 8562   2.685  -3.620  -3.435
  751TIP3    H2 8563   2.816  -3.645  -3.362
  752TIP3   OH2 8564   1.719  -2.950  -4.157
  752TIP3    H1 8565   1.802  -2.922  -4.113
  752TIP3    H2 8566   1.756  -3.002  -4.230
  753TIP3   OH2 8567   1.547  -3.734  -4.257
  753TIP3    H1 8568   1.558  -3.638  -4.239
  753TIP3    H2 8569   1.455  -3.736  -4.289
  754TIP3   OH2 8570   2.864  -2.678  -3.252
  754TIP3    H1 8571   2.850  -2.603  -3.312
  754TIP3    H2 8572   2.960  -2.673  -3.239
  755TIP3   OH2 8573   1.551  -4.241  -3.353
  755TIP3    H1 8574   1.591  -4.245  -3.440
  755TIP3    H2 8575   1.568  -4.332  -3.323
  756TIP3   OH2 8576   1.519  -2.886  -3.747
  756TIP3    H1 8577   1.440  -2.836  -3.724
  756TIP3    H2 8578   1.556  -2.835  -3.820
  757TIP3   OH2 8579   1.458  -2.596  -2.625
  757TIP3    H1 8580   1.515  -2.624  -2.551
  757TIP3    H2 8581   1.419  -2.681  -2.653
  758TIP3   OH2 8582   1.928  -2.692  -2.451
  758TIP3    H1 8583   1.998  -2.755  -2.428
  758TIP3    H2 8584   1.906  -2.719  -2.542
  759TIP3   OH2 8585   2.353  -2.756  -4.330
  759TIP3    H1 8586   2.273  -2.812  -4.325
  759TIP3    H2 8587   2.419  -2.822  -4.356
  760TIP3   OH2 8588   2.581  -2.867  -2.595
  760TIP3    H1 8589   2.538  -2.945  -2.555
  760TIP3    H2 8590   2.646  -2.843  -2.527
  761TIP3   OH2 8591   2.707  -2.817   4.312
  761TIP3    H1 8592   2.706  -2.891   4.374
  761TIP3    H2 8593   2.796  -2.821   4.276
  762TIP3   OH2 8594   1.456  -3.235  -2.517
  762TIP3    H1 8595   1.464  -3.326  -2.550
  762TIP3    H2 8596   1.378  -3.204  -2.567
  763TIP3   OH2 8597   1.881  -3.180  -4.308
  763TIP3    H1 8598   1.898  -3.245  -4.239
  763TIP3    H2 8599   1.954  -3.194  -4.370
  764TIP3   OH2 8600   2.121  -3.216  -2.583
  764TIP3    H1 8601   2.087  -3.183  -2.668
  764TIP3    H2 8602   2.125  -3.312  -2.598
  765TIP3   OH2 8603   2.410  -3.077  -4.347
  765TIP3    H1 8604   2.425  -3.062  -4.252
  765TIP3    H2 8605   2.476  -3.144  -4.368
  766TIP3   OH2 8606   2.656  -3.254  -2.844
  766TIP3    H1 8607   2.733  -3.199  -2.863
  766TIP3    H2 8608   2.585  -3.188  -2.843
  767TIP3   OH2 8609   1.542  -3.522  -2.600
  767TIP3    H1 8610   1.615  -3.586  -2.597
  767TIP3    H2 8611   1.536  -3.499  -2.506
  768TIP3   OH2 8612   1.984  -3.384  -4.091
  768TIP3    H1 8613   1.922  -3.428  -4.030
  768TIP3    H2 8614   2.018  -3.459  -4.143
  769TIP3   OH2 8615   1.908  -3.609  -2.855
  769TIP3    H1 8616   1.853  -3.531  -2.836
  769TIP3    H2 8617   1.972  -3.572  -2.919
  770TIP3   OH2 8618   2.103  -3.575  -4.273
  770TIP3    H1 8619   2.106  -3.598  -4.367
  770TIP3    H2 8620   2.199  -3.577  -4.251
  771TIP3   OH2 8621   2.437  -3.338  -2.502
  771TIP3    H1 8622   2.528  -3.356  -2.530
  771TIP3    H2 8623   2.413  -3.421  -2.459
  772TIP3   OH2 8624   1.967  -3.878  -2.746
  772TIP3    H1 8625   1.974  -3.944  -2.817
  772TIP3    H2 8626   1.945  -3.797  -2.795
  773TIP3   OH2 8627   2.005  -4.038  -3.003
  773TIP3    H1 8628   2.056  -3.982  -3.064
  773TIP3    H2 8629   1.913  -4.027  -3.037
  774TIP3   OH2 8630   2.155  -3.488  -2.957
  774TIP3    H1 8631   2.239  -3.495  -3.005
  774TIP3    H2 8632   2.123  -3.400  -2.987
  775TIP3   OH2 8633   2.611  -3.693  -2.480
  775TIP3    H1 8634   2.633  -3.786  -2.463
  775TIP3    H2 8635   2.699  -3.652  -2.483
  776TIP3   OH2 8636   2.711  -3.416  -2.631
  776TIP3    H1 8637   2.675  -3.354  -2.698
  776TIP3    H2 8638   2.801  -3.428  -2.667
  777TIP3   OH2 8639   1.789  -3.697  -2.561
  777TIP3    H1 8640   1.736  -3.777  -2.561
  777TIP3    H2 8641   1.869  -3.726  -2.608
  778TIP3   OH2 8642   2.053  -4.278  -2.881
  778TIP3    H1 8643   2.063  -4.187  -2.916
  778TIP3    H2 8644   1.960  -4.293  -2.903
  779TIP3   OH2 8645   2.201  -3.845  -2.586
  779TIP3    H1 8646   2.168  -3.871  -2.498
  779TIP3    H2 8647   2.120  -3.863  -2.638
  780TIP3   OH2 8648   2.458  -3.945  -2.688
  780TIP3    H1 8649   2.369  -3.929  -2.652
  780TIP3    H2 8650   2.493  -4.009  -2.623
  781TIP3   OH2 8651   2.642  -4.139  -2.513
  781TIP3    H1 8652   2.610  -4.224  -2.480
  781TIP3    H2 8653   2.616  -4.077  -2.442
  782TIP3   OH2 8654   1.668  -3.961  -2.575
  782TIP3    H1 8655   1.640  -4.020  -2.646
  782TIP3    H2 8656   1.621  -3.997  -2.498
  783TIP3   OH2 8657   2.163  -4.146  -2.475
  783TIP3    H1 8658   2.139  -4.228  -2.522
  783TIP3    H2 8659   2.078  -4.099  -2.469
  784TIP3   OH2 8660   2.063  -2.458  -4.171
  784TIP3    H1 8661   2.159  -2.448  -4.163
  784TIP3    H2 8662   2.040  -2.398  -4.243
  785TIP3   OH2 8663   1.449  -3.052  -4.194
  785TIP3    H1 8664   1.539  -3.016  -4.199
  785TIP3    H2 8665   1.441  -3.105  -4.275
  786TIP3   OH2 8666   1.351  -2.501  -3.720
  786TIP3    H1 8667   1.279  -2.537  -3.776
  786TIP3    H2 8668   1.356  -2.569  -3.650
  787TIP3   OH2 8669   1.388  -2.698  -3.520
  787TIP3    H1 8670   1.358  -2.785  -3.489
  787TIP3    H2 8671   1.420  -2.662  -3.436
  788TIP3   OH2 8672   3.138  -2.550  -3.204
  788TIP3    H1 8673   3.172  -2.581  -3.119
  788TIP3    H2 8674   3.218  -2.548  -3.258
  789TIP3   OH2 8675   3.128  -2.618  -2.920
  789TIP3    H1 8676   3.079  -2.692  -2.962
  789TIP3    H2 8677   3.186  -2.671  -2.862
  790TIP3   OH2 8678   2.931  -3.085  -2.502
  790TIP3    H1 8679   2.842  -3.076  -2.462
  790TIP3    H2 8680   2.976  -3.005  -2.471
  791TIP3   OH2 8681   3.070  -3.202  -3.931
  791TIP3    H1 8682   3.158  -3.160  -3.919
  791TIP3    H2 8683   3.071  -3.263  -3.855
  792TIP3   OH2 8684   3.116  -3.403  -3.734
  792TIP3    H1 8685   3.051  -3.457  -3.686
  792TIP3    H2 8686   3.185  -3.386  -3.666
  793TIP3   OH2 8687   3.087  -3.149  -3.235
  793TIP3    H1 8688   3.151  -3.197  -3.291
  793TIP3    H2 8689   3.108  -3.057  -3.260
  794TIP3   OH2 8690   2.963  -2.857  -3.009
  794TIP3    H1 8691   2.889  -2.818  -2.960
  794TIP3    H2 8692   2.920  -2.895  -3.087
  795TIP3   OH2 8693   3.142  -3.436  -4.108
  795TIP3    H1 8694   3.084  -3.399  -4.176
  795TIP3    H2 8695   3.128  -3.370  -4.037
  796TIP3   OH2 8696   2.963  -3.697  -4.220
  796TIP3    H1 8697   2.999  -3.621  -4.268
  796TIP3    H2 8698   3.011  -3.770  -4.260
  797TIP3   OH2 8699   2.909  -3.586  -3.650
  797TIP3    H1 8700   2.900  -3.681  -3.665
  797TIP3    H2 8701   2.872  -3.576  -3.560
  798TIP3   OH2 8702   1.395  -3.364  -3.280
  798TIP3    H1 8703   1.420  -3.359  -3.374
  798TIP3    H2 8704   1.481  -3.386  -3.239
  799TIP3   OH2 8705   2.971  -3.393  -2.734
  799TIP3    H1 8706   3.046  -3.454  -2.719
  799TIP3    H2 8707   3.016  -3.310  -2.755
  800TIP3   OH2 8708   3.126  -3.584  -2.613
  800TIP3    H1 8709   3.047  -3.636  -2.637
  800TIP3    H2 8710   3.196  -3.652  -2.616
  801TIP3   OH2 8711   2.891  -4.023  -4.341
  801TIP3    H1 8712   2.950  -4.044  -4.267
  801TIP3    H2 8713   2.803  -4.044  -4.306
  802TIP3   OH2 8714   2.886  -3.827  -3.837
  802TIP3    H1 8715   2.908  -3.922  -3.828
  802TIP3    H2 8716   2.971  -3.792  -3.870
  803TIP3   OH2 8717   2.920  -3.774  -3.292
  803TIP3    H1 8718   3.017  -3.767  -3.294
  803TIP3    H2 8719   2.905  -3.775  -3.196
  804TIP3   OH2 8720   2.934  -3.706  -3.006
  804TIP3    H1 8721   2.850  -3.664  -2.980
  804TIP3    H2 8722   2.989  -3.629  -3.028
  805TIP3   OH2 8723   1.381  -3.835  -2.626
  805TIP3    H1 8724   1.472  -3.859  -2.645
  805TIP3    H2 8725   1.336  -3.921  -2.630
  806TIP3   OH2 8726   3.142  -4.281  -2.433
  806TIP3    H1 8727   3.214  -4.345  -2.447
  806TIP3    H2 8728   3.151  -4.217  -2.507
  807TIP3   OH2 8729   2.924  -4.097  -3.823
  807TIP3    H1 8730   2.948  -4.146  -3.743
  807TIP3    H2 8731   2.862  -4.159  -3.865
  808TIP3   OH2 8732   1.456  -3.989  -3.362
  808TIP3    H1 8733   1.486  -4.082  -3.350
  808TIP3    H2 8734   1.530  -3.940  -3.322
  809TIP3   OH2 8735   1.317  -3.729  -3.256
  809TIP3    H1 8736   1.375  -3.733  -3.334
  809TIP3    H2 8737   1.354  -3.653  -3.209
  810TIP3   OH2 8738   3.129  -4.111  -2.644
  810TIP3    H1 8739   3.044  -4.063  -2.638
  810TIP3    H2 8740   3.121  -4.147  -2.735
  811TIP3   OH2 8741   3.141  -4.072  -4.176
  811TIP3    H1 8742   3.170  -4.146  -4.231
  811TIP3    H2 8743   3.222  -4.019  -4.169
  812TIP3   OH2 8744   1.372  -4.098  -3.851
  812TIP3    H1 8745   1.276  -4.098  -3.871
  812TIP3    H2 8746   1.408  -4.032  -3.913
  813TIP3   OH2 8747   2.829  -2.570  -3.640
  813TIP3    H1 8748   2.877  -2.596  -3.720
  813TIP3    H2 8749   2.901  -2.532  -3.588
  814TIP3   OH2 8750   1.349  -4.126  -3.000
  814TIP3    H1 8751   1.349  -4.220  -2.973
  814TIP3    H2 8752   1.325  -4.134  -3.093
  815TIP3   OH2 8753   1.570  -2.897  -2.568
  815TIP3    H1 8754   1.496  -2.896  -2.630
  815TIP3    H2 8755   1.526  -2.900  -2.482
  816TIP3   OH2 8756   1.854  -2.800  -3.001
  816TIP3    H1 8757   1.822  -2.714  -3.033
  816TIP3    H2 8758   1.950  -2.789  -3.018
  817TIP3   OH2 8759   2.306  -2.670  -2.699
  817TIP3    H1 8760   2.316  -2.685  -2.603
  817TIP3    H2 8761   2.389  -2.623  -2.720
  818TIP3   OH2 8762   2.537  -2.516  -2.776
  818TIP3    H1 8763   2.601  -2.587  -2.796
  818TIP3    H2 8764   2.563  -2.492  -2.685
  819TIP3   OH2 8765   2.993  -4.277  -2.854
  819TIP3    H1 8766   2.943  -4.214  -2.908
  819TIP3    H2 8767   3.010  -4.345  -2.921
  820TIP3   OH2 8768   1.590  -2.506  -2.968
  820TIP3    H1 8769   1.531  -2.443  -3.012
  820TIP3    H2 8770   1.566  -2.490  -2.876
  821TIP3   OH2 8771   1.841  -2.524  -3.111
  821TIP3    H1 8772   1.756  -2.509  -3.066
  821TIP3    H2 8773   1.840  -2.454  -3.178
  822TIP3   OH2 8774   2.318  -2.526  -3.155
  822TIP3    H1 8775   2.278  -2.481  -3.232
  822TIP3    H2 8776   2.323  -2.453  -3.091
  823TIP3   OH2 8777   2.557  -2.644  -3.065
  823TIP3    H1 8778   2.468  -2.620  -3.097
  823TIP3    H2 8779   2.603  -2.559  -3.071
  824TIP3   OH2 8780   2.805  -2.434  -3.059
  824TIP3    H1 8781   2.781  -2.366  -3.123
  824TIP3    H2 8782   2.831  -2.504  -3.122
  825TIP3   OH2 8783   1.552  -2.622  -3.273
  825TIP3    H1 8784   1.546  -2.669  -3.188
  825TIP3    H2 8785   1.627  -2.668  -3.315
  826TIP3   OH2 8786   1.753  -2.749  -3.431
  826TIP3    H1 8787   1.735  -2.841  -3.401
  826TIP3    H2 8788   1.843  -2.734  -3.395
  827TIP3   OH2 8789   2.029  -2.700  -3.339
  827TIP3    H1 8790   2.046  -2.794  -3.361
  827TIP3    H2 8791   2.034  -2.704  -3.243
  828TIP3   OH2 8792   2.357  -4.112  -3.411
  828TIP3    H1 8793   2.295  -4.182  -3.382
  828TIP3    H2 8794   2.417  -4.162  -3.469
  829TIP3   OH2 8795   2.886  -4.329  -3.364
  829TIP3    H1 8796   2.945  -4.288  -3.430
  829TIP3    H2 8797   2.798  -4.306  -3.396
  830TIP3   OH2 8798   3.081  -4.225  -3.583
  830TIP3    H1 8799   3.134  -4.246  -3.660
  830TIP3    H2 8800   3.100  -4.130  -3.569
  831TIP3   OH2 8801   1.594  -4.284  -3.682
  831TIP3    H1 8802   1.500  -4.300  -3.697
  831TIP3    H2 8803   1.624  -4.366  -3.641
  832TIP3   OH2 8804   1.456  -4.282  -4.068
  832TIP3    H1 8805   1.505  -4.228  -4.133
  832TIP3    H2 8806   1.416  -4.214  -4.012
  833TIP3   OH2 8807   2.043  -4.231  -3.658
  833TIP3    H1 8808   2.139  -4.234  -3.669
  833TIP3    H2 8809   2.027  -4.290  -3.583
  834TIP3   OH2 8810   2.598  -4.265  -3.515
  834TIP3    H1 8811   2.630  -4.263  -3.606
  834TIP3    H2 8812   2.583  -4.359  -3.499
  835TIP3   OH2 8813   2.705  -4.271  -3.917
  835TIP3    H1 8814   2.631  -4.214  -3.943
  835TIP3    H2 8815   2.667  -4.359  -3.919
  836TIP3   OH2 8816   1.483  -2.695  -3.966
  836TIP3    H1 8817   1.411  -2.698  -4.032
  836TIP3    H2 8818   1.482  -2.602  -3.942
  837TIP3   OH2 8819   1.642  -4.121  -4.226
  837TIP3    H1 8820   1.705  -4.164  -4.285
  837TIP3    H2 8821   1.702  -4.062  -4.176
  838TIP3   OH2 8822   2.166  -4.057  -3.986
  838TIP3    H1 8823   2.176  -4.142  -3.939
  838TIP3    H2 8824   2.185  -3.991  -3.917
  839TIP3   OH2 8825   2.349  -2.529  -4.147
  839TIP3    H1 8826   2.447  -2.517  -4.139
  839TIP3    H2 8827   2.347  -2.591  -4.222
  840TIP3   OH2 8828   3.022  -2.615  -3.880
  840TIP3    H1 8829   2.994  -2.697  -3.926
  840TIP3    H2 8830   3.000  -2.546  -3.945
  841TIP3   OH2 8831   1.556  -4.178  -2.731
  841TIP3    H1 8832   1.509  -4.257  -2.701
  841TIP3    H2 8833   1.644  -4.216  -2.743
  842TIP3   OH2 8834   1.849  -4.279  -2.468
  842TIP3    H1 8835   1.936  -4.306  -2.506
  842TIP3    H2 8836   1.824  -4.357  -2.417
  843TIP3   OH2 8837   1.685  -2.587  -4.232
  843TIP3    H1 8838   1.639  -2.565  -4.150
  843TIP3    H2 8839   1.745  -2.657  -4.206
  844TIP3   OH2 8840   2.963  -2.735  -2.643
  844TIP3    H1 8841   2.889  -2.757  -2.703
  844TIP3    H2 8842   2.939  -2.644  -2.617
  845TIP3   OH2 8843   4.215  -3.463  -3.312
  845TIP3    H1 8844   4.292  -3.430  -3.262
  845TIP3    H2 8845   4.246  -3.459  -3.403
  846TIP3   OH2 8846   3.516  -3.466  -3.153
  846TIP3    H1 8847   3.516  -3.538  -3.088
  846TIP3    H2 8848   3.586  -3.409  -3.118
  847TIP3   OH2 8849   3.577  -2.999  -3.286
  847TIP3    H1 8850   3.554  -3.082  -3.331
  847TIP3    H2 8851   3.673  -3.001  -3.290
  848TIP3   OH2 8852   3.282  -3.664  -3.764
  848TIP3    H1 8853   3.247  -3.575  -3.748
  848TIP3    H2 8854   3.206  -3.707  -3.806
  849TIP3   OH2 8855   3.358  -3.418  -3.583
  849TIP3    H1 8856   3.378  -3.496  -3.528
  849TIP3    H2 8857   3.445  -3.396  -3.620
  850TIP3   OH2 8858   4.120  -3.172  -3.253
  850TIP3    H1 8859   4.146  -3.245  -3.311
  850TIP3    H2 8860   4.204  -3.150  -3.210
  851TIP3   OH2 8861   3.742  -3.942  -3.503
  851TIP3    H1 8862   3.759  -3.855  -3.546
  851TIP3    H2 8863   3.706  -3.991  -3.579
  852TIP3   OH2 8864   3.411  -3.664  -3.454
  852TIP3    H1 8865   3.474  -3.711  -3.396
  852TIP3    H2 8866   3.421  -3.713  -3.537
  853TIP3   OH2 8867   3.953  -3.528  -3.507
  853TIP3    H1 8868   4.027  -3.581  -3.472
  853TIP3    H2 8869   3.902  -3.598  -3.553
  854TIP3   OH2 8870   3.621  -4.058  -3.088
  854TIP3    H1 8871   3.590  -4.000  -3.159
  854TIP3    H2 8872   3.555  -4.036  -3.018
  855TIP3   OH2 8873   3.915  -3.275  -3.074
  855TIP3    H1 8874   3.842  -3.214  -3.049
  855TIP3    H2 8875   3.980  -3.214  -3.114
  856TIP3   OH2 8876   3.584  -3.857  -3.293
  856TIP3    H1 8877   3.646  -3.795  -3.249
  856TIP3    H2 8878   3.641  -3.890  -3.366
  857TIP3   OH2 8879   3.716  -3.084  -3.000
  857TIP3    H1 8880   3.711  -2.997  -3.043
  857TIP3    H2 8881   3.627  -3.087  -2.960
  858TIP3   OH2 8882   3.341  -3.101  -3.917
  858TIP3    H1 8883   3.327  -3.050  -3.998
  858TIP3    H2 8884   3.372  -3.032  -3.853
  859TIP3   OH2 8885   4.047   4.380  -3.363
  859TIP3    H1 8886   4.040   4.285  -3.348
  859TIP3    H2 8887   3.961   4.416  -3.332
  860TIP3   OH2 8888   4.268  -3.431  -3.919
  860TIP3    H1 8889   4.199  -3.361  -3.923
  860TIP3    H2 8890   4.334  -3.392  -3.977
  861TIP3   OH2 8891   4.287  -3.575  -4.213
  861TIP3    H1 8892   4.353  -3.570  -4.142
  861TIP3    H2 8893   4.300  -3.663  -4.247
  862TIP3   OH2 8894   3.759  -3.341  -3.613
  862TIP3    H1 8895   3.729  -3.381  -3.696
  862TIP3    H2 8896   3.825  -3.405  -3.581
  863TIP3   OH2 8897   3.898  -2.999  -3.339
  863TIP3    H1 8898   3.885  -3.034  -3.428
  863TIP3    H2 8899   3.977  -3.046  -3.308
  864TIP3   OH2 8900   3.817  -3.459  -3.266
  864TIP3    H1 8901   3.876  -3.457  -3.344
  864TIP3    H2 8902   3.856  -3.390  -3.209
  865TIP3   OH2 8903   3.903  -3.023  -2.784
  865TIP3    H1 8904   3.852  -2.956  -2.736
  865TIP3    H2 8905   3.839  -3.048  -2.855
  866TIP3   OH2 8906   3.595  -3.389  -2.868
  866TIP3    H1 8907   3.601  -3.327  -2.793
  866TIP3    H2 8908   3.499  -3.397  -2.880
  867TIP3   OH2 8909   4.257  -2.813  -3.701
  867TIP3    H1 8910   4.300  -2.764  -3.629
  867TIP3    H2 8911   4.201  -2.744  -3.741
  868TIP3   OH2 8912   3.710  -2.804  -2.701
  868TIP3    H1 8913   3.701  -2.802  -2.798
  868TIP3    H2 8914   3.623  -2.835  -2.671
  869TIP3   OH2 8915   3.654  -3.466  -3.867
  869TIP3    H1 8916   3.628  -3.386  -3.916
  869TIP3    H2 8917   3.580  -3.525  -3.886
  870TIP3   OH2 8918   3.254  -3.196  -2.988
  870TIP3    H1 8919   3.214  -3.194  -3.077
  870TIP3    H2 8920   3.268  -3.292  -2.975
  871TIP3   OH2 8921   3.259  -2.919  -3.281
  871TIP3    H1 8922   3.353  -2.935  -3.302
  871TIP3    H2 8923   3.265  -2.843  -3.223
  872TIP3   OH2 8924   4.174  -2.922  -2.833
  872TIP3    H1 8925   4.181  -2.833  -2.796
  872TIP3    H2 8926   4.082  -2.948  -2.812
  873TIP3   OH2 8927   4.189  -2.540  -3.845
  873TIP3    H1 8928   4.204  -2.535  -3.941
  873TIP3    H2 8929   4.207  -2.451  -3.813
  874TIP3   OH2 8930   3.472  -3.039  -2.861
  874TIP3    H1 8931   3.502  -3.090  -2.784
  874TIP3    H2 8932   3.401  -3.094  -2.899
  875TIP3   OH2 8933   3.798  -4.220  -3.274
  875TIP3    H1 8934   3.716  -4.245  -3.318
  875TIP3    H2 8935   3.772  -4.135  -3.234
  876TIP3   OH2 8936   4.227  -4.309  -2.913
  876TIP3    H1 8937   4.258  -4.314  -2.822
  876TIP3    H2 8938   4.133  -4.283  -2.902
  877TIP3   OH2 8939   4.221  -3.984  -4.205
  877TIP3    H1 8940   4.156  -3.994  -4.133
  877TIP3    H2 8941   4.191  -4.051  -4.266
  878TIP3   OH2 8942   3.778  -3.715  -3.148
  878TIP3    H1 8943   3.717  -3.701  -3.073
  878TIP3    H2 8944   3.788  -3.624  -3.184
  879TIP3   OH2 8945   3.775  -3.711  -3.658
  879TIP3    H1 8946   3.679  -3.717  -3.675
  879TIP3    H2 8947   3.809  -3.724  -3.748
  880TIP3   OH2 8948   4.279  -3.673  -3.707
  880TIP3    H1 8949   4.278  -3.578  -3.724
  880TIP3    H2 8950   4.373  -3.694  -3.701
  881TIP3   OH2 8951   4.250  -3.626  -2.628
  881TIP3    H1 8952   4.193  -3.706  -2.617
  881TIP3    H2 8953   4.337  -3.670  -2.625
  882TIP3   OH2 8954   3.520  -3.698  -2.965
  882TIP3    H1 8955   3.542  -3.667  -2.877
  882TIP3    H2 8956   3.479  -3.784  -2.945
  883TIP3   OH2 8957   3.889  -3.962  -4.318
  883TIP3    H1 8958   3.861  -3.986  -4.228
  883TIP3    H2 8959   3.816  -3.905  -4.346
  884TIP3   OH2 8960   3.195  -3.959  -3.601
  884TIP3    H1 8961   3.253  -3.955  -3.522
  884TIP3    H2 8962   3.254  -3.993  -3.670
  885TIP3   OH2 8963   3.352  -3.912  -4.039
  885TIP3    H1 8964   3.412  -3.862  -4.099
  885TIP3    H2 8965   3.288  -3.843  -4.015
  886TIP3   OH2 8966   4.351  -3.573  -3.023
  886TIP3    H1 8967   4.380  -3.639  -3.089
  886TIP3    H2 8968   4.272  -3.615  -2.988
  887TIP3   OH2 8969   4.048  -3.974  -3.560
  887TIP3    H1 8970   3.956  -3.960  -3.533
  887TIP3    H2 8971   4.095  -3.950  -3.478
  888TIP3   OH2 8972   3.508  -3.829  -3.689
  888TIP3    H1 8973   3.427  -3.799  -3.734
  888TIP3    H2 8974   3.535  -3.908  -3.739
  889TIP3   OH2 8975   3.867  -3.789  -3.924
  889TIP3    H1 8976   3.964  -3.781  -3.918
  889TIP3    H2 8977   3.844  -3.729  -3.997
  890TIP3   OH2 8978   3.731  -3.677  -4.158
  890TIP3    H1 8979   3.667  -3.722  -4.215
  890TIP3    H2 8980   3.803  -3.655  -4.218
  891TIP3   OH2 8981   3.582  -3.196  -2.647
  891TIP3    H1 8982   3.650  -3.187  -2.577
  891TIP3    H2 8983   3.502  -3.195  -2.591
  892TIP3   OH2 8984   4.137  -3.741  -3.415
  892TIP3    H1 8985   4.218  -3.764  -3.462
  892TIP3    H2 8986   4.166  -3.744  -3.323
  893TIP3   OH2 8987   3.668  -4.066  -3.756
  893TIP3    H1 8988   3.622  -4.151  -3.744
  893TIP3    H2 8989   3.753  -4.094  -3.792
  894TIP3   OH2 8990   4.047  -3.861  -3.141
  894TIP3    H1 8991   3.980  -3.793  -3.162
  894TIP3    H2 8992   4.100  -3.815  -3.074
  895TIP3   OH2 8993   4.072  -3.228  -3.954
  895TIP3    H1 8994   3.992  -3.269  -3.991
  895TIP3    H2 8995   4.049  -3.213  -3.860
  896TIP3   OH2 8996   4.208  -3.224  -2.832
  896TIP3    H1 8997   4.182  -3.233  -2.740
  896TIP3    H2 8998   4.213  -3.128  -2.845
  897TIP3   OH2 8999   3.575  -3.273  -3.378
  897TIP3    H1 9000   3.632  -3.276  -3.457
  897TIP3    H2 9001   3.593  -3.358  -3.336
  898TIP3   OH2 9002   4.284  -3.081  -4.052
  898TIP3    H1 9003   4.254  -2.990  -4.032
  898TIP3    H2 9004   4.207  -3.133  -4.021
  899TIP3   OH2 9005   3.304  -3.444  -2.852
  899TIP3    H1 9006   3.320  -3.489  -2.766
  899TIP3    H2 9007   3.244  -3.505  -2.898
  900TIP3   OH2 9008   4.001  -3.494  -2.649
  900TIP3    H1 9009   3.966  -3.523  -2.735
  900TIP3    H2 9010   4.096  -3.517  -2.659
  901TIP3   OH2 9011   3.820  -2.944  -3.650
  901TIP3    H1 9012   3.848  -2.853  -3.670
  901TIP3    H2 9013   3.723  -2.937  -3.664
  902TIP3   OH2 9014   3.423  -3.450  -4.199
  902TIP3    H1 9015   3.479  -3.384  -4.152
  902TIP3    H2 9016   3.334  -3.429  -4.165
  903TIP3   OH2 9017   3.995  -3.175  -3.694
  903TIP3    H1 9018   3.970  -3.083  -3.676
  903TIP3    H2 9019   3.924  -3.223  -3.648
  904TIP3   OH2 9020   4.020  -2.744  -3.049
  904TIP3    H1 9021   4.077  -2.673  -3.086
  904TIP3    H2 9022   4.085  -2.795  -3.000
  905TIP3   OH2 9023   3.831  -2.644  -3.740
  905TIP3    H1 9024   3.740  -2.648  -3.711
  905TIP3    H2 9025   3.862  -2.558  -3.707
  906TIP3   OH2 9026   3.437  -3.962  -2.892
  906TIP3    H1 9027   3.346  -3.942  -2.924
  906TIP3    H2 9028   3.420  -4.048  -2.849
  907TIP3   OH2 9029   3.407  -2.797  -3.046
  907TIP3    H1 9030   3.437  -2.889  -3.045
  907TIP3    H2 9031   3.442  -2.766  -2.962
  908TIP3   OH2 9032   4.016  -2.941  -4.332
  908TIP3    H1 9033   4.074  -3.017  -4.349
  908TIP3    H2 9034   3.972  -2.968  -4.249
  909TIP3   OH2 9035   3.886  -2.990  -4.078
  909TIP3    H1 9036   3.925  -3.039  -4.004
  909TIP3    H2 9037   3.896  -2.897  -4.048
  910TIP3   OH2 9038   3.558  -3.245  -4.035
  910TIP3    H1 9039   3.485  -3.204  -3.985
  910TIP3    H2 9040   3.608  -3.166  -4.060
  911TIP3   OH2 9041   4.329  -3.929  -2.977
  911TIP3    H1 9042   4.392  -4.003  -2.988
  911TIP3    H2 9043   4.270  -3.956  -3.049
  912TIP3   OH2 9044   4.169  -2.822  -4.025
  912TIP3    H1 9045   4.088  -2.773  -4.001
  912TIP3    H2 9046   4.210  -2.761  -4.088
  913TIP3   OH2 9047   4.132  -3.867  -3.815
  913TIP3    H1 9048   4.196  -3.797  -3.788
  913TIP3    H2 9049   4.097  -3.888  -3.726
  914TIP3   OH2 9050   4.147  -3.763  -2.879
  914TIP3    H1 9051   4.183  -3.701  -2.815
  914TIP3    H2 9052   4.221  -3.826  -2.895
  915TIP3   OH2 9053   4.198  -4.170  -3.689
  915TIP3    H1 9054   4.171  -4.085  -3.650
  915TIP3    H2 9055   4.271  -4.145  -3.749
  916TIP3   OH2 9056   3.896  -2.710  -4.022
  916TIP3    H1 9057   3.898  -2.623  -4.067
  916TIP3    H2 9058   3.869  -2.684  -3.931
  917TIP3   OH2 9059   3.767  -4.044  -4.073
  917TIP3    H1 9060   3.762  -3.965  -4.016
  917TIP3    H2 9061   3.853  -4.081  -4.045
  918TIP3   OH2 9062   3.604  -2.950  -4.161
  918TIP3    H1 9063   3.678  -2.916  -4.108
  918TIP3    H2 9064   3.650  -3.003  -4.227
  919TIP3   OH2 9065   3.431  -3.734  -4.255
  919TIP3    H1 9066   3.445  -3.638  -4.239
  919TIP3    H2 9067   3.340  -3.735  -4.288
  920TIP3   OH2 9068   3.435  -4.244  -3.355
  920TIP3    H1 9069   3.478  -4.246  -3.442
  920TIP3    H2 9070   3.455  -4.334  -3.325
  921TIP3   OH2 9071   3.342  -2.595  -2.625
  921TIP3    H1 9072   3.403  -2.625  -2.554
  921TIP3    H2 9073   3.305  -2.681  -2.655
  922TIP3   OH2 9074   3.813  -2.691  -2.451
  922TIP3    H1 9075   3.881  -2.756  -2.429
  922TIP3    H2 9076   3.790  -2.719  -2.541
  923TIP3   OH2 9077   4.232  -2.757  -4.318
  923TIP3    H1 9078   4.152  -2.813  -4.325
  923TIP3    H2 9079   4.297  -2.815  -4.358
  924TIP3   OH2 9080   3.341  -3.236  -2.516
  924TIP3    H1 9081   3.350  -3.326  -2.553
  924TIP3    H2 9082   3.264  -3.204  -2.568
  925TIP3   OH2 9083   3.764  -3.201  -4.317
  925TIP3    H1 9084   3.792  -3.242  -4.234
  925TIP3    H2 9085   3.848  -3.190  -4.366
  926TIP3   OH2 9086   4.008  -3.214  -2.584
  926TIP3    H1 9087   3.978  -3.181  -2.671
  926TIP3    H2 9088   4.014  -3.311  -2.599
  927TIP3   OH2 9089   4.272  -3.081  -4.352
  927TIP3    H1 9090   4.322  -3.044  -4.276
  927TIP3    H2 9091   4.333  -3.149  -4.383
  928TIP3   OH2 9092   3.427  -3.525  -2.599
  928TIP3    H1 9093   3.503  -3.585  -2.598
  928TIP3    H2 9094   3.422  -3.499  -2.506
  929TIP3   OH2 9095   3.865  -3.384  -4.095
  929TIP3    H1 9096   3.806  -3.427  -4.031
  929TIP3    H2 9097   3.901  -3.460  -4.143
  930TIP3   OH2 9098   3.796  -3.604  -2.852
  930TIP3    H1 9099   3.738  -3.527  -2.838
  930TIP3    H2 9100   3.852  -3.573  -2.925
  931TIP3   OH2 9101   3.999  -3.592  -4.269
  931TIP3    H1 9102   3.981  -3.582  -4.363
  931TIP3    H2 9103   4.090  -3.561  -4.259
  932TIP3   OH2 9104   4.283  -3.359  -2.484
  932TIP3    H1 9105   4.352  -3.389  -2.543
  932TIP3    H2 9106   4.267  -3.441  -2.434
  933TIP3   OH2 9107   3.852  -3.879  -2.742
  933TIP3    H1 9108   3.864  -3.942  -2.815
  933TIP3    H2 9109   3.839  -3.795  -2.791
  934TIP3   OH2 9110   3.890  -4.041  -3.003
  934TIP3    H1 9111   3.943  -3.981  -3.060
  934TIP3    H2 9112   3.800  -4.026  -3.036
  935TIP3   OH2 9113   4.068  -3.493  -2.967
  935TIP3    H1 9114   4.136  -3.491  -3.036
  935TIP3    H2 9115   4.028  -3.405  -2.978
  936TIP3   OH2 9116   3.675  -3.698  -2.558
  936TIP3    H1 9117   3.622  -3.780  -2.563
  936TIP3    H2 9118   3.754  -3.723  -2.609
  937TIP3   OH2 9119   3.948  -4.280  -2.886
  937TIP3    H1 9120   3.943  -4.187  -2.920
  937TIP3    H2 9121   3.864  -4.314  -2.920
  938TIP3   OH2 9122   4.106  -3.856  -2.588
  938TIP3    H1 9123   4.070  -3.887  -2.503
  938TIP3    H2 9124   4.030  -3.875  -2.647
  939TIP3   OH2 9125   3.552  -3.959  -2.575
  939TIP3    H1 9126   3.526  -4.019  -2.647
  939TIP3    H2 9127   3.506  -3.997  -2.499
  940TIP3   OH2 9128   4.054  -4.147  -2.471
  940TIP3    H1 9129   4.027  -4.228  -2.517
  940TIP3    H2 9130   3.971  -4.095  -2.468
  941TIP3   OH2 9131   3.960  -2.462  -4.172
  941TIP3    H1 9132   4.055  -2.445  -4.163
  941TIP3    H2 9133   3.933  -2.399  -4.241
  942TIP3   OH2 9134   3.332  -3.053  -4.201
  942TIP3    H1 9135   3.421  -3.013  -4.193
  942TIP3    H2 9136   3.340  -3.106  -4.281
  943TIP3   OH2 9137   3.236  -2.498  -3.720
  943TIP3    H1 9138   3.165  -2.535  -3.776
  943TIP3    H2 9139   3.242  -2.567  -3.651
  944TIP3   OH2 9140   3.239  -2.676  -3.505
  944TIP3    H1 9141   3.254  -2.770  -3.527
  944TIP3    H2 9142   3.303  -2.665  -3.433
  945TIP3   OH2 9143   3.280  -3.368  -3.280
  945TIP3    H1 9144   3.304  -3.355  -3.373
  945TIP3    H2 9145   3.368  -3.385  -3.241
  946TIP3   OH2 9146   3.267  -3.836  -2.625
  946TIP3    H1 9147   3.358  -3.858  -2.646
  946TIP3    H2 9148   3.223  -3.922  -2.632
  947TIP3   OH2 9149   3.342  -3.991  -3.361
  947TIP3    H1 9150   3.373  -4.083  -3.350
  947TIP3    H2 9151   3.416  -3.941  -3.323
  948TIP3   OH2 9152   3.203  -3.728  -3.257
  948TIP3    H1 9153   3.262  -3.731  -3.334
  948TIP3    H2 9154   3.239  -3.653  -3.209
  949TIP3   OH2 9155   3.257  -4.103  -3.854
  949TIP3    H1 9156   3.162  -4.095  -3.871
  949TIP3    H2 9157   3.295  -4.033  -3.912
  950TIP3   OH2 9158   3.232  -4.127  -2.998
  950TIP3    H1 9159   3.235  -4.221  -2.973
  950TIP3    H2 9160   3.212  -4.133  -3.092
  951TIP3   OH2 9161   3.456  -2.895  -2.566
  951TIP3    H1 9162   3.384  -2.900  -2.631
  951TIP3    H2 9163   3.409  -2.901  -2.482
  952TIP3   OH2 9164   3.740  -2.795  -2.996
  952TIP3    H1 9165   3.710  -2.712  -3.037
  952TIP3    H2 9166   3.836  -2.789  -3.015
  953TIP3   OH2 9167   4.220  -2.635  -2.710
  953TIP3    H1 9168   4.205  -2.671  -2.621
  953TIP3    H2 9169   4.314  -2.613  -2.704
  954TIP3   OH2 9170   3.478  -2.501  -2.965
  954TIP3    H1 9171   3.422  -2.438  -3.013
  954TIP3    H2 9172   3.441  -2.498  -2.876
  955TIP3   OH2 9173   3.732  -2.523  -3.106
  955TIP3    H1 9174   3.645  -2.506  -3.066
  955TIP3    H2 9175   3.735  -2.458  -3.178
  956TIP3   OH2 9176   4.197  -2.548  -3.154
  956TIP3    H1 9177   4.178  -2.500  -3.236
  956TIP3    H2 9178   4.258  -2.489  -3.109
  957TIP3   OH2 9179   3.430  -2.624  -3.270
  957TIP3    H1 9180   3.436  -2.676  -3.187
  957TIP3    H2 9181   3.507  -2.661  -3.318
  958TIP3   OH2 9182   3.640  -2.718  -3.409
  958TIP3    H1 9183   3.616  -2.804  -3.450
  958TIP3    H2 9184   3.736  -2.726  -3.396
  959TIP3   OH2 9185   3.921  -2.698  -3.340
  959TIP3    H1 9186   3.935  -2.792  -3.362
  959TIP3    H2 9187   3.920  -2.702  -3.243
  960TIP3   OH2 9188   4.259  -4.143  -3.401
  960TIP3    H1 9189   4.179  -4.198  -3.389
  960TIP3    H2 9190   4.292  -4.176  -3.485
  961TIP3   OH2 9191   3.479  -4.284  -3.678
  961TIP3    H1 9192   3.386  -4.298  -3.701
  961TIP3    H2 9193   3.505  -4.369  -3.643
  962TIP3   OH2 9194   3.340  -4.282  -4.068
  962TIP3    H1 9195   3.391  -4.230  -4.134
  962TIP3    H2 9196   3.305  -4.212  -4.011
  963TIP3   OH2 9197   3.934  -4.257  -3.675
  963TIP3    H1 9198   4.026  -4.223  -3.668
  963TIP3    H2 9199   3.918  -4.289  -3.586
  964TIP3   OH2 9200   3.379  -2.690  -3.997
  964TIP3    H1 9201   3.289  -2.695  -4.032
  964TIP3    H2 9202   3.367  -2.635  -3.919
  965TIP3   OH2 9203   3.528  -4.125  -4.224
  965TIP3    H1 9204   3.592  -4.163  -4.286
  965TIP3    H2 9205   3.586  -4.062  -4.177
  966TIP3   OH2 9206   4.051  -4.065  -3.985
  966TIP3    H1 9207   4.065  -4.147  -3.934
  966TIP3    H2 9208   4.065  -3.995  -3.918
  967TIP3   OH2 9209   4.270  -2.544  -4.143
  967TIP3    H1 9210   4.355  -2.504  -4.167
  967TIP3    H2 9211   4.252  -2.600  -4.222
  968TIP3   OH2 9212   3.440  -4.178  -2.729
  968TIP3    H1 9213   3.396  -4.260  -2.701
  968TIP3    H2 9214   3.529  -4.213  -2.745
  969TIP3   OH2 9215   3.732  -4.279  -2.467
  969TIP3    H1 9216   3.820  -4.303  -2.504
  969TIP3    H2 9217   3.709  -4.359  -2.419
  970TIP3   OH2 9218   3.573  -2.584  -4.228
  970TIP3    H1 9219   3.520  -2.571  -4.148
  970TIP3    H2 9220   3.627  -2.659  -4.204
  971TIP3   OH2 9221  -3.162  -1.483  -3.631
  971TIP3    H1 9222  -3.161  -1.387  -3.616
  971TIP3    H2 9223  -3.240  -1.493  -3.687
  972TIP3   OH2 9224  -3.265  -1.536  -3.318
  972TIP3    H1 9225  -3.272  -1.594  -3.240
  972TIP3    H2 9226  -3.298  -1.594  -3.388
  973TIP3   OH2 9227  -4.024  -1.578  -3.158
  973TIP3    H1 9228  -4.033  -1.651  -3.094
  973TIP3    H2 9229  -3.964  -1.519  -3.112
  974TIP3   OH2 9230  -2.905  -1.254  -3.480
  974TIP3    H1 9231  -2.938  -1.326  -3.425
  974TIP3    H2 9232  -2.879  -1.190  -3.412
  975TIP3   OH2 9233  -3.956  -1.114  -3.304
  975TIP3    H1 9234  -3.984  -1.206  -3.322
  975TIP3    H2 9235  -3.868  -1.128  -3.265
  976TIP3   OH2 9236  -4.202  -1.814  -3.845
  976TIP3    H1 9237  -4.209  -1.729  -3.799
  976TIP3    H2 9238  -4.290  -1.850  -3.826
  977TIP3   OH2 9239  -4.198  -1.554  -3.615
  977TIP3    H1 9240  -4.190  -1.600  -3.530
  977TIP3    H2 9241  -4.122  -1.494  -3.613
  978TIP3   OH2 9242  -3.202  -0.727  -3.435
  978TIP3    H1 9243  -3.142  -0.800  -3.462
  978TIP3    H2 9244  -3.231  -0.755  -3.347
  979TIP3   OH2 9245  -3.421  -1.286  -3.264
  979TIP3    H1 9246  -3.386  -1.357  -3.321
  979TIP3    H2 9247  -3.342  -1.267  -3.211
  980TIP3   OH2 9248  -2.563  -2.131  -3.201
  980TIP3    H1 9249  -2.535  -2.073  -3.127
  980TIP3    H2 9250  -2.498  -2.105  -3.269
  981TIP3   OH2 9251  -3.100  -1.852  -3.214
  981TIP3    H1 9252  -3.082  -1.948  -3.206
  981TIP3    H2 9253  -3.104  -1.841  -3.310
  982TIP3   OH2 9254  -3.793  -2.051  -3.507
  982TIP3    H1 9255  -3.787  -1.963  -3.550
  982TIP3    H2 9256  -3.838  -2.102  -3.577
  983TIP3   OH2 9257  -3.014  -2.043  -3.678
  983TIP3    H1 9258  -2.956  -2.077  -3.606
  983TIP3    H2 9259  -2.950  -1.994  -3.730
  984TIP3   OH2 9260  -4.137  -1.779  -3.451
  984TIP3    H1 9261  -4.080  -1.820  -3.384
  984TIP3    H2 9262  -4.121  -1.836  -3.527
  985TIP3   OH2 9263  -3.587  -1.640  -3.513
  985TIP3    H1 9264  -3.521  -1.697  -3.469
  985TIP3    H2 9265  -3.644  -1.706  -3.556
  986TIP3   OH2 9266  -2.486  -1.996  -2.952
  986TIP3    H1 9267  -2.548  -1.926  -2.977
  986TIP3    H2 9268  -2.507  -2.005  -2.858
  987TIP3   OH2 9269  -3.918  -2.169  -3.088
  987TIP3    H1 9270  -3.964  -2.122  -3.160
  987TIP3    H2 9271  -3.981  -2.154  -3.014
  988TIP3   OH2 9272  -3.169  -1.197  -3.750
  988TIP3    H1 9273  -3.204  -1.217  -3.838
  988TIP3    H2 9274  -3.213  -1.112  -3.730
  989TIP3   OH2 9275  -3.629  -1.385  -3.081
  989TIP3    H1 9276  -3.702  -1.327  -3.049
  989TIP3    H2 9277  -3.569  -1.320  -3.120
  990TIP3   OH2 9278  -2.837  -2.108  -3.469
  990TIP3    H1 9279  -2.868  -2.170  -3.402
  990TIP3    H2 9280  -2.778  -2.051  -3.417
  991TIP3   OH2 9281  -3.957  -1.967  -3.296
  991TIP3    H1 9282  -3.895  -1.908  -3.249
  991TIP3    H2 9283  -3.897  -2.003  -3.365
  992TIP3   OH2 9284  -3.833  -1.193  -3.012
  992TIP3    H1 9285  -3.820  -1.096  -3.016
  992TIP3    H2 9286  -3.886  -1.196  -2.931
  993TIP3   OH2 9287  -4.188  -1.238  -3.915
  993TIP3    H1 9288  -4.253  -1.213  -3.984
  993TIP3    H2 9289  -4.205  -1.172  -3.846
  994TIP3   OH2 9290  -2.849  -1.087  -3.206
  994TIP3    H1 9291  -2.943  -1.068  -3.222
  994TIP3    H2 9292  -2.808  -1.004  -3.236
  995TIP3   OH2 9293  -2.820  -2.196  -3.087
  995TIP3    H1 9294  -2.896  -2.154  -3.131
  995TIP3    H2 9295  -2.746  -2.176  -3.147
  996TIP3   OH2 9296  -3.565  -2.462  -3.440
  996TIP3    H1 9297  -3.476  -2.427  -3.434
  996TIP3    H2 9298  -3.615  -2.404  -3.383
  997TIP3   OH2 9299  -3.020  -0.889  -3.581
  997TIP3    H1 9300  -2.970  -0.966  -3.614
  997TIP3    H2 9301  -2.953  -0.818  -3.592
  998TIP3   OH2 9302  -2.874  -1.103  -3.721
  998TIP3    H1 9303  -2.930  -1.149  -3.785
  998TIP3    H2 9304  -2.879  -1.162  -3.644
  999TIP3   OH2 9305  -3.291  -1.535  -3.904
  999TIP3    H1 9306  -3.358  -1.470  -3.934
  999TIP3    H2 9307  -3.220  -1.521  -3.968
 1000TIP3   OH2 9308  -3.273  -1.708  -4.206
 1000TIP3    H1 9309  -3.206  -1.673  -4.144
 1000TIP3    H2 9310  -3.217  -1.769  -4.260
 1001TIP3   OH2 9311  -2.559  -1.595  -3.079
 1001TIP3    H1 9312  -2.623  -1.524  -3.066
 1001TIP3    H2 9313  -2.508  -1.563  -3.156
 1002TIP3   OH2 9314  -2.945  -1.532  -3.795
 1002TIP3    H1 9315  -3.013  -1.509  -3.727
 1002TIP3    H2 9316  -2.883  -1.585  -3.741
 1003TIP3   OH2 9317  -2.957  -1.679  -2.908
 1003TIP3    H1 9318  -2.968  -1.615  -2.836
 1003TIP3    H2 9319  -3.024  -1.647  -2.971
 1004TIP3   OH2 9320  -3.779  -1.449  -3.618
 1004TIP3    H1 9321  -3.815  -1.493  -3.698
 1004TIP3    H2 9322  -3.718  -1.517  -3.584
 1005TIP3   OH2 9323  -3.643  -1.109  -3.345
 1005TIP3    H1 9324  -3.657  -1.153  -3.430
 1005TIP3    H2 9325  -3.566  -1.157  -3.310
 1006TIP3   OH2 9326  -3.727  -1.573  -3.273
 1006TIP3    H1 9327  -3.666  -1.564  -3.349
 1006TIP3    H2 9328  -3.694  -1.505  -3.211
 1007TIP3   OH2 9329  -3.119  -1.024  -3.210
 1007TIP3    H1 9330  -3.138  -0.949  -3.151
 1007TIP3    H2 9331  -3.155  -1.101  -3.162
 1008TIP3   OH2 9332  -3.035  -1.584  -4.058
 1008TIP3    H1 9333  -2.994  -1.557  -3.973
 1008TIP3    H2 9334  -2.975  -1.541  -4.121
 1009TIP3   OH2 9335  -3.956  -1.506  -2.870
 1009TIP3    H1 9336  -3.947  -1.448  -2.791
 1009TIP3    H2 9337  -4.054  -1.508  -2.877
 1010TIP3   OH2 9338  -3.302  -0.924  -3.696
 1010TIP3    H1 9339  -3.255  -0.896  -3.616
 1010TIP3    H2 9340  -3.351  -0.844  -3.720
 1011TIP3   OH2 9341  -2.696  -2.412  -4.077
 1011TIP3    H1 9342  -2.784  -2.392  -4.040
 1011TIP3    H2 9343  -2.666  -2.326  -4.107
 1012TIP3   OH2 9344  -3.887  -1.580  -3.870
 1012TIP3    H1 9345  -3.916  -1.499  -3.917
 1012TIP3    H2 9346  -3.961  -1.640  -3.887
 1013TIP3   OH2 9347  -2.590  -0.985  -4.251
 1013TIP3    H1 9348  -2.559  -0.905  -4.206
 1013TIP3    H2 9349  -2.515  -1.046  -4.241
 1014TIP3   OH2 9350  -4.275  -1.298  -3.021
 1014TIP3    H1 9351  -4.293  -1.340  -3.107
 1014TIP3    H2 9352  -4.313  -1.361  -2.959
 1015TIP3   OH2 9353  -4.275  -1.008  -3.316
 1015TIP3    H1 9354  -4.198  -1.060  -3.291
 1015TIP3    H2 9355  -4.307  -0.973  -3.232
 1016TIP3   OH2 9356  -2.444  -0.957  -2.721
 1016TIP3    H1 9357  -2.455  -1.053  -2.732
 1016TIP3    H2 9358  -2.532  -0.930  -2.686
 1017TIP3   OH2 9359  -3.385  -1.043  -2.837
 1017TIP3    H1 9360  -3.362  -0.961  -2.790
 1017TIP3    H2 9361  -3.476  -1.058  -2.806
 1018TIP3   OH2 9362  -3.346  -0.654  -3.848
 1018TIP3    H1 9363  -3.347  -0.641  -3.944
 1018TIP3    H2 9364  -3.343  -0.563  -3.813
 1019TIP3   OH2 9365  -3.978  -0.739  -3.677
 1019TIP3    H1 9366  -3.954  -0.782  -3.592
 1019TIP3    H2 9367  -4.054  -0.795  -3.700
 1020TIP3   OH2 9368  -3.024  -0.693  -4.139
 1020TIP3    H1 9369  -2.978  -0.751  -4.203
 1020TIP3    H2 9370  -3.020  -0.746  -4.058
 1021TIP3   OH2 9371  -3.075  -0.765  -3.863
 1021TIP3    H1 9372  -3.168  -0.748  -3.841
 1021TIP3    H2 9373  -3.053  -0.832  -3.796
 1022TIP3   OH2 9374  -2.762  -1.816  -2.681
 1022TIP3    H1 9375  -2.816  -1.783  -2.754
 1022TIP3    H2 9376  -2.761  -1.912  -2.697
 1023TIP3   OH2 9377  -4.115  -1.145  -2.834
 1023TIP3    H1 9378  -4.040  -1.186  -2.788
 1023TIP3    H2 9379  -4.150  -1.214  -2.894
 1024TIP3   OH2 9380  -3.746  -2.300  -3.287
 1024TIP3    H1 9381  -3.828  -2.317  -3.338
 1024TIP3    H2 9382  -3.778  -2.234  -3.224
 1025TIP3   OH2 9383  -3.335  -2.382  -2.885
 1025TIP3    H1 9384  -3.269  -2.428  -2.871
 1025TIP3    H2 9385  -3.319  -2.296  -2.817
 1026TIP3   OH2 9386  -3.000  -1.973  -2.876
 1026TIP3    H1 9387  -3.053  -1.990  -2.796
 1026TIP3    H2 9388  -3.002  -1.876  -2.884
 1027TIP3   OH2 9389  -2.814  -1.504  -4.252
 1027TIP3    H1 9390  -2.861  -1.517  -4.336
 1027TIP3    H2 9391  -2.783  -1.414  -4.265
 1028TIP3   OH2 9392  -3.334  -2.123  -4.191
 1028TIP3    H1 9393  -3.392  -2.103  -4.117
 1028TIP3    H2 9394  -3.388  -2.182  -4.245
 1029TIP3   OH2 9395  -3.760  -1.830  -3.147
 1029TIP3    H1 9396  -3.821  -1.819  -3.072
 1029TIP3    H2 9397  -3.757  -1.739  -3.183
 1030TIP3   OH2 9398  -3.769  -1.821  -3.661
 1030TIP3    H1 9399  -3.865  -1.829  -3.673
 1030TIP3    H2 9400  -3.738  -1.837  -3.751
 1031TIP3   OH2 9401  -3.221  -1.782  -3.797
 1031TIP3    H1 9402  -3.253  -1.692  -3.821
 1031TIP3    H2 9403  -3.144  -1.790  -3.856
 1032TIP3   OH2 9404  -3.279  -1.751  -2.649
 1032TIP3    H1 9405  -3.336  -1.820  -2.609
 1032TIP3    H2 9406  -3.195  -1.765  -2.601
 1033TIP3   OH2 9407  -3.122  -1.827  -3.507
 1033TIP3    H1 9408  -3.153  -1.768  -3.579
 1033TIP3    H2 9409  -3.102  -1.907  -3.559
 1034TIP3   OH2 9410  -4.019  -1.816  -2.966
 1034TIP3    H1 9411  -4.002  -1.773  -2.882
 1034TIP3    H2 9412  -4.051  -1.903  -2.938
 1035TIP3   OH2 9413  -3.652  -2.076  -4.308
 1035TIP3    H1 9414  -3.699  -2.101  -4.228
 1035TIP3    H2 9415  -3.720  -2.021  -4.352
 1036TIP3   OH2 9416  -4.321  -2.046  -3.596
 1036TIP3    H1 9417  -4.305  -2.076  -3.505
 1036TIP3    H2 9418  -4.287  -2.120  -3.647
 1037TIP3   OH2 9419  -4.207  -2.028  -4.043
 1037TIP3    H1 9420  -4.148  -1.985  -4.107
 1037TIP3    H2 9421  -4.275  -1.961  -4.032
 1038TIP3   OH2 9422  -3.206  -1.657  -3.053
 1038TIP3    H1 9423  -3.165  -1.730  -3.106
 1038TIP3    H2 9424  -3.248  -1.708  -2.981
 1039TIP3   OH2 9425  -3.504  -2.072  -3.572
 1039TIP3    H1 9426  -3.595  -2.067  -3.535
 1039TIP3    H2 9427  -3.451  -2.084  -3.492
 1040TIP3   OH2 9428  -4.029  -1.945  -3.682
 1040TIP3    H1 9429  -4.103  -1.915  -3.740
 1040TIP3    H2 9430  -4.003  -2.028  -3.725
 1041TIP3   OH2 9431  -3.669  -1.909  -3.930
 1041TIP3    H1 9432  -3.575  -1.887  -3.924
 1041TIP3    H2 9433  -3.702  -1.844  -3.996
 1042TIP3   OH2 9434  -3.057  -2.150  -3.260
 1042TIP3    H1 9435  -3.115  -2.151  -3.181
 1042TIP3    H2 9436  -3.119  -2.179  -3.329
 1043TIP3   OH2 9437  -3.809  -1.794  -4.156
 1043TIP3    H1 9438  -3.876  -1.835  -4.213
 1043TIP3    H2 9439  -3.741  -1.767  -4.219
 1044TIP3   OH2 9440  -2.742  -0.582  -2.592
 1044TIP3    H1 9441  -2.731  -0.524  -2.669
 1044TIP3    H2 9442  -2.692  -0.533  -2.525
 1045TIP3   OH2 9443  -3.966  -1.342  -2.639
 1045TIP3    H1 9444  -3.895  -1.293  -2.593
 1045TIP3    H2 9445  -4.042  -1.303  -2.593
 1046TIP3   OH2 9446  -3.390  -1.811  -3.377
 1046TIP3    H1 9447  -3.312  -1.851  -3.418
 1046TIP3    H2 9448  -3.406  -1.869  -3.300
 1047TIP3   OH2 9449  -3.868  -2.176  -3.751
 1047TIP3    H1 9450  -3.926  -2.254  -3.750
 1047TIP3    H2 9451  -3.810  -2.194  -3.826
 1048TIP3   OH2 9452  -3.488  -1.961  -3.151
 1048TIP3    H1 9453  -3.569  -1.906  -3.148
 1048TIP3    H2 9454  -3.443  -1.936  -3.068
 1049TIP3   OH2 9455  -3.472  -1.329  -3.959
 1049TIP3    H1 9456  -3.552  -1.373  -3.995
 1049TIP3    H2 9457  -3.496  -1.318  -3.864
 1050TIP3   OH2 9458  -2.763  -1.383  -3.058
 1050TIP3    H1 9459  -2.712  -1.329  -3.121
 1050TIP3    H2 9460  -2.843  -1.402  -3.111
 1051TIP3   OH2 9461  -3.070  -2.057  -4.172
 1051TIP3    H1 9462  -3.166  -2.047  -4.183
 1051TIP3    H2 9463  -3.043  -1.977  -4.123
 1052TIP3   OH2 9464  -3.300  -1.326  -2.829
 1052TIP3    H1 9465  -3.342  -1.359  -2.747
 1052TIP3    H2 9466  -3.333  -1.234  -2.830
 1053TIP3   OH2 9467  -3.002  -1.863  -3.988
 1053TIP3    H1 9468  -2.915  -1.880  -3.945
 1053TIP3    H2 9469  -2.988  -1.774  -4.027
 1054TIP3   OH2 9470  -3.982  -1.398  -3.394
 1054TIP3    H1 9471  -3.909  -1.399  -3.457
 1054TIP3    H2 9472  -3.963  -1.475  -3.338
 1055TIP3   OH2 9473  -3.234  -1.190  -4.069
 1055TIP3    H1 9474  -3.262  -1.102  -4.038
 1055TIP3    H2 9475  -3.311  -1.243  -4.042
 1056TIP3   OH2 9476  -4.234  -1.543  -2.824
 1056TIP3    H1 9477  -4.233  -1.605  -2.749
 1056TIP3    H2 9478  -4.286  -1.592  -2.891
 1057TIP3   OH2 9479  -3.543  -1.607  -2.649
 1057TIP3    H1 9480  -3.578  -1.632  -2.737
 1057TIP3    H2 9481  -3.448  -1.628  -2.660
 1058TIP3   OH2 9482  -2.530  -1.850  -3.998
 1058TIP3    H1 9483  -2.592  -1.870  -4.070
 1058TIP3    H2 9484  -2.517  -1.756  -4.016
 1059TIP3   OH2 9485  -2.514  -1.255  -2.746
 1059TIP3    H1 9486  -2.604  -1.235  -2.776
 1059TIP3    H2 9487  -2.468  -1.271  -2.831
 1060TIP3   OH2 9488  -2.708  -0.997  -3.992
 1060TIP3    H1 9489  -2.736  -1.072  -3.939
 1060TIP3    H2 9490  -2.673  -1.038  -4.072
 1061TIP3   OH2 9491  -2.984  -1.468  -3.242
 1061TIP3    H1 9492  -3.076  -1.484  -3.273
 1061TIP3    H2 9493  -2.936  -1.536  -3.294
 1062TIP3   OH2 9494  -3.725  -1.058  -3.658
 1062TIP3    H1 9495  -3.687  -0.969  -3.663
 1062TIP3    H2 9496  -3.819  -1.039  -3.671
 1063TIP3   OH2 9497  -4.158  -1.563  -4.191
 1063TIP3    H1 9498  -4.083  -1.504  -4.167
 1063TIP3    H2 9499  -4.232  -1.506  -4.170
 1064TIP3   OH2 9500  -3.543  -1.287  -3.692
 1064TIP3    H1 9501  -3.573  -1.196  -3.676
 1064TIP3    H2 9502  -3.615  -1.337  -3.650
 1065TIP3   OH2 9503  -3.522  -0.863  -3.057
 1065TIP3    H1 9504  -3.468  -0.786  -3.080
 1065TIP3    H2 9505  -3.467  -0.908  -2.991
 1066TIP3   OH2 9506  -3.681  -0.766  -3.737
 1066TIP3    H1 9507  -3.777  -0.754  -3.723
 1066TIP3    H2 9508  -3.647  -0.679  -3.707
 1067TIP3   OH2 9509  -3.156  -1.280  -3.070
 1067TIP3    H1 9510  -3.207  -1.317  -2.995
 1067TIP3    H2 9511  -3.106  -1.357  -3.103
 1068TIP3   OH2 9512  -2.970  -1.162  -4.195
 1068TIP3    H1 9513  -2.921  -1.204  -4.121
 1068TIP3    H2 9514  -3.060  -1.167  -4.159
 1069TIP3   OH2 9515  -2.908  -0.862  -2.880
 1069TIP3    H1 9516  -2.986  -0.849  -2.939
 1069TIP3    H2 9517  -2.859  -0.780  -2.904
 1070TIP3   OH2 9518  -2.480  -0.712  -4.160
 1070TIP3    H1 9519  -2.411  -0.644  -4.144
 1070TIP3    H2 9520  -2.560  -0.661  -4.135
 1071TIP3   OH2 9521  -4.100  -2.086  -2.888
 1071TIP3    H1 9522  -4.186  -2.046  -2.910
 1071TIP3    H2 9523  -4.123  -2.170  -2.845
 1072TIP3   OH2 9524  -2.871  -1.299  -3.970
 1072TIP3    H1 9525  -2.898  -1.368  -3.906
 1072TIP3    H2 9526  -2.774  -1.300  -3.960
 1073TIP3   OH2 9527  -4.122  -0.904  -3.032
 1073TIP3    H1 9528  -4.111  -0.999  -3.045
 1073TIP3    H2 9529  -4.080  -0.899  -2.945
 1074TIP3   OH2 9530  -3.520  -1.054  -4.326
 1074TIP3    H1 9531  -3.484  -1.140  -4.354
 1074TIP3    H2 9532  -3.575  -1.081  -4.250
 1075TIP3   OH2 9533  -3.663  -1.099  -4.077
 1075TIP3    H1 9534  -3.616  -1.150  -4.010
 1075TIP3    H2 9535  -3.646  -1.007  -4.049
 1076TIP3   OH2 9536  -3.983  -1.363  -4.035
 1076TIP3    H1 9537  -4.060  -1.323  -3.988
 1076TIP3    H2 9538  -3.941  -1.282  -4.067
 1077TIP3   OH2 9539  -3.205  -2.118  -3.037
 1077TIP3    H1 9540  -3.149  -2.077  -2.970
 1077TIP3    H2 9541  -3.263  -2.176  -2.986
 1078TIP3   OH2 9542  -3.163  -2.175  -3.915
 1078TIP3    H1 9543  -3.136  -2.126  -3.994
 1078TIP3    H2 9544  -3.116  -2.127  -3.845
 1079TIP3   OH2 9545  -3.368  -0.941  -4.029
 1079TIP3    H1 9546  -3.446  -0.890  -4.001
 1079TIP3    H2 9547  -3.317  -0.873  -4.073
 1080TIP3   OH2 9548  -3.398  -2.015  -3.822
 1080TIP3    H1 9549  -3.338  -1.937  -3.823
 1080TIP3    H2 9550  -3.443  -2.002  -3.735
 1081TIP3   OH2 9551  -3.361  -1.874  -2.901
 1081TIP3    H1 9552  -3.365  -1.822  -2.819
 1081TIP3    H2 9553  -3.313  -1.952  -2.869
 1082TIP3   OH2 9554  -3.648  -0.822  -4.025
 1082TIP3    H1 9555  -3.645  -0.736  -4.071
 1082TIP3    H2 9556  -3.663  -0.794  -3.932
 1083TIP3   OH2 9557  -3.761  -2.162  -4.054
 1083TIP3    H1 9558  -3.757  -2.075  -4.011
 1083TIP3    H2 9559  -3.670  -2.194  -4.049
 1084TIP3   OH2 9560  -2.740  -2.070  -2.814
 1084TIP3    H1 9561  -2.837  -2.061  -2.826
 1084TIP3    H2 9562  -2.716  -2.096  -2.904
 1085TIP3   OH2 9563  -2.889  -1.688  -3.409
 1085TIP3    H1 9564  -2.972  -1.732  -3.435
 1085TIP3    H2 9565  -2.841  -1.759  -3.361
 1086TIP3   OH2 9566  -3.934  -1.060  -4.162
 1086TIP3    H1 9567  -3.853  -1.038  -4.113
 1086TIP3    H2 9568  -3.898  -1.120  -4.229
 1087TIP3   OH2 9569  -4.099  -1.848  -4.260
 1087TIP3    H1 9570  -4.105  -1.753  -4.239
 1087TIP3    H2 9571  -4.189  -1.867  -4.291
 1088TIP3   OH2 9572  -2.779  -0.805  -3.261
 1088TIP3    H1 9573  -2.807  -0.729  -3.316
 1088TIP3    H2 9574  -2.686  -0.781  -3.247
 1089TIP3   OH2 9575  -4.023  -2.364  -3.374
 1089TIP3    H1 9576  -4.060  -2.362  -3.465
 1089TIP3    H2 9577  -4.069  -2.441  -3.335
 1090TIP3   OH2 9578  -4.132  -0.984  -3.741
 1090TIP3    H1 9579  -4.228  -0.966  -3.736
 1090TIP3    H2 9580  -4.109  -0.957  -3.831
 1091TIP3   OH2 9581  -4.213  -0.711  -2.635
 1091TIP3    H1 9582  -4.146  -0.704  -2.563
 1091TIP3    H2 9583  -4.215  -0.808  -2.642
 1092TIP3   OH2 9584  -3.704  -0.792  -2.461
 1092TIP3    H1 9585  -3.655  -0.866  -2.424
 1092TIP3    H2 9586  -3.744  -0.836  -2.538
 1093TIP3   OH2 9587  -3.305  -0.870  -4.333
 1093TIP3    H1 9588  -3.386  -0.925  -4.326
 1093TIP3    H2 9589  -3.240  -0.939  -4.352
 1094TIP3   OH2 9590  -3.044  -1.018  -2.631
 1094TIP3    H1 9591  -3.117  -1.067  -2.588
 1094TIP3    H2 9592  -3.013  -0.965  -2.555
 1095TIP3   OH2 9593  -2.918  -0.900  -4.289
 1095TIP3    H1 9594  -2.893  -0.981  -4.242
 1095TIP3    H2 9595  -2.833  -0.861  -4.315
 1096TIP3   OH2 9596  -4.216  -1.322  -2.548
 1096TIP3    H1 9597  -4.182  -1.394  -2.604
 1096TIP3    H2 9598  -4.276  -1.275  -2.607
 1097TIP3   OH2 9599  -3.775  -1.296  -4.307
 1097TIP3    H1 9600  -3.754  -1.359  -4.236
 1097TIP3    H2 9601  -3.703  -1.306  -4.370
 1098TIP3   OH2 9602  -3.526  -1.317  -2.614
 1098TIP3    H1 9603  -3.598  -1.292  -2.673
 1098TIP3    H2 9604  -3.534  -1.414  -2.607
 1099TIP3   OH2 9605  -3.245  -1.190  -4.348
 1099TIP3    H1 9606  -3.231  -1.177  -4.252
 1099TIP3    H2 9607  -3.180  -1.258  -4.370
 1100TIP3   OH2 9608  -4.139  -1.661  -2.583
 1100TIP3    H1 9609  -4.052  -1.704  -2.595
 1100TIP3    H2 9610  -4.122  -1.607  -2.505
 1101TIP3   OH2 9611  -3.674  -1.498  -4.091
 1101TIP3    H1 9612  -3.737  -1.540  -4.030
 1101TIP3    H2 9613  -3.641  -1.573  -4.143
 1102TIP3   OH2 9614  -3.747  -1.723  -2.853
 1102TIP3    H1 9615  -3.806  -1.647  -2.835
 1102TIP3    H2 9616  -3.686  -1.685  -2.918
 1103TIP3   OH2 9617  -3.553  -1.695  -4.270
 1103TIP3    H1 9618  -3.556  -1.708  -4.365
 1103TIP3    H2 9619  -3.457  -1.691  -4.253
 1104TIP3   OH2 9620  -3.228  -1.456  -2.502
 1104TIP3    H1 9621  -3.137  -1.473  -2.531
 1104TIP3    H2 9622  -3.247  -1.536  -2.450
 1105TIP3   OH2 9623  -3.690  -1.994  -2.741
 1105TIP3    H1 9624  -3.684  -2.059  -2.812
 1105TIP3    H2 9625  -3.712  -1.913  -2.789
 1106TIP3   OH2 9626  -3.656  -2.146  -2.997
 1106TIP3    H1 9627  -3.608  -2.093  -3.063
 1106TIP3    H2 9628  -3.748  -2.144  -3.031
 1107TIP3   OH2 9629  -3.501  -1.601  -2.957
 1107TIP3    H1 9630  -3.418  -1.607  -3.006
 1107TIP3    H2 9631  -3.536  -1.515  -2.988
 1108TIP3   OH2 9632  -3.042  -1.826  -2.485
 1108TIP3    H1 9633  -3.028  -1.918  -2.459
 1108TIP3    H2 9634  -2.958  -1.786  -2.456
 1109TIP3   OH2 9635  -2.957  -1.512  -2.657
 1109TIP3    H1 9636  -2.974  -1.435  -2.712
 1109TIP3    H2 9637  -2.862  -1.529  -2.675
 1110TIP3   OH2 9638  -3.881  -1.805  -2.565
 1110TIP3    H1 9639  -3.930  -1.889  -2.566
 1110TIP3    H2 9640  -3.797  -1.829  -2.606
 1111TIP3   OH2 9641  -3.604  -2.420  -2.962
 1111TIP3    H1 9642  -3.608  -2.325  -2.976
 1111TIP3    H2 9643  -3.671  -2.457  -3.024
 1112TIP3   OH2 9644  -3.456  -1.956  -2.584
 1112TIP3    H1 9645  -3.486  -1.978  -2.494
 1112TIP3    H2 9646  -3.538  -1.976  -2.634
 1113TIP3   OH2 9647  -3.202  -2.064  -2.693
 1113TIP3    H1 9648  -3.289  -2.049  -2.652
 1113TIP3    H2 9649  -3.154  -2.105  -2.618
 1114TIP3   OH2 9650  -3.030  -2.165  -2.463
 1114TIP3    H1 9651  -3.041  -2.262  -2.469
 1114TIP3    H2 9652  -3.066  -2.146  -2.375
 1115TIP3   OH2 9653  -4.017  -2.059  -2.579
 1115TIP3    H1 9654  -4.016  -2.132  -2.643
 1115TIP3    H2 9655  -4.032  -2.105  -2.495
 1116TIP3   OH2 9656  -3.601  -2.463  -2.677
 1116TIP3    H1 9657  -3.541  -2.539  -2.673
 1116TIP3    H2 9658  -3.600  -2.446  -2.774
 1117TIP3   OH2 9659  -3.500  -2.276  -2.491
 1117TIP3    H1 9660  -3.533  -2.335  -2.561
 1117TIP3    H2 9661  -3.570  -2.208  -2.486
 1118TIP3   OH2 9662  -3.594  -0.573  -4.172
 1118TIP3    H1 9663  -3.499  -0.560  -4.160
 1118TIP3    H2 9664  -3.616  -0.512  -4.245
 1119TIP3   OH2 9665  -4.187  -1.161  -4.193
 1119TIP3    H1 9666  -4.105  -1.109  -4.179
 1119TIP3    H2 9667  -4.189  -1.173  -4.288
 1120TIP3   OH2 9668  -4.272  -0.801  -3.522
 1120TIP3    H1 9669  -4.275  -0.893  -3.488
 1120TIP3    H2 9670  -4.245  -0.755  -3.441
 1121TIP3   OH2 9671  -2.513  -0.693  -3.223
 1121TIP3    H1 9672  -2.506  -0.688  -3.126
 1121TIP3    H2 9673  -2.429  -0.654  -3.250
 1122TIP3   OH2 9674  -2.549  -0.764  -2.942
 1122TIP3    H1 9675  -2.595  -0.843  -2.973
 1122TIP3    H2 9676  -2.487  -0.801  -2.878
 1123TIP3   OH2 9677  -2.743  -1.186  -2.521
 1123TIP3    H1 9678  -2.820  -1.191  -2.461
 1123TIP3    H2 9679  -2.686  -1.121  -2.475
 1124TIP3   OH2 9680  -2.586  -1.316  -3.930
 1124TIP3    H1 9681  -2.497  -1.280  -3.917
 1124TIP3    H2 9682  -2.590  -1.379  -3.856
 1125TIP3   OH2 9683  -2.541  -1.515  -3.732
 1125TIP3    H1 9684  -2.607  -1.571  -3.687
 1125TIP3    H2 9685  -2.472  -1.502  -3.664
 1126TIP3   OH2 9686  -2.566  -1.265  -3.235
 1126TIP3    H1 9687  -2.505  -1.314  -3.291
 1126TIP3    H2 9688  -2.553  -1.174  -3.267
 1127TIP3   OH2 9689  -2.514  -1.549  -4.107
 1127TIP3    H1 9690  -2.574  -1.517  -4.176
 1127TIP3    H2 9691  -2.530  -1.482  -4.038
 1128TIP3   OH2 9692  -2.694  -1.810  -4.216
 1128TIP3    H1 9693  -2.660  -1.731  -4.261
 1128TIP3    H2 9694  -2.642  -1.880  -4.257
 1129TIP3   OH2 9695  -2.750  -1.700  -3.651
 1129TIP3    H1 9696  -2.754  -1.796  -3.664
 1129TIP3    H2 9697  -2.785  -1.691  -3.560
 1130TIP3   OH2 9698  -4.257  -1.451  -3.256
 1130TIP3    H1 9699  -4.220  -1.426  -3.342
 1130TIP3    H2 9700  -4.178  -1.493  -3.214
 1131TIP3   OH2 9701  -2.689  -1.499  -2.734
 1131TIP3    H1 9702  -2.628  -1.575  -2.721
 1131TIP3    H2 9703  -2.626  -1.429  -2.751
 1132TIP3   OH2 9704  -2.529  -1.693  -2.627
 1132TIP3    H1 9705  -2.607  -1.751  -2.644
 1132TIP3    H2 9706  -2.458  -1.759  -2.620
 1133TIP3   OH2 9707  -2.766  -2.145  -4.336
 1133TIP3    H1 9708  -2.699  -2.149  -4.265
 1133TIP3    H2 9709  -2.850  -2.161  -4.292
 1134TIP3   OH2 9710  -2.768  -1.947  -3.838
 1134TIP3    H1 9711  -2.739  -2.040  -3.828
 1134TIP3    H2 9712  -2.686  -1.907  -3.872
 1135TIP3   OH2 9713  -2.737  -1.887  -3.289
 1135TIP3    H1 9714  -2.640  -1.878  -3.291
 1135TIP3    H2 9715  -2.751  -1.886  -3.193
 1136TIP3   OH2 9716  -2.720  -1.820  -3.010
 1136TIP3    H1 9717  -2.805  -1.782  -2.980
 1136TIP3    H2 9718  -2.668  -1.740  -3.030
 1137TIP3   OH2 9719  -4.285  -1.959  -2.650
 1137TIP3    H1 9720  -4.195  -1.995  -2.642
 1137TIP3    H2 9721  -4.342  -2.033  -2.624
 1138TIP3   OH2 9722  -2.464  -2.403  -2.479
 1138TIP3    H1 9723  -2.424  -2.473  -2.533
 1138TIP3    H2 9724  -2.459  -2.326  -2.538
 1139TIP3   OH2 9725  -2.715  -2.219  -3.829
 1139TIP3    H1 9726  -2.692  -2.260  -3.743
 1139TIP3    H2 9727  -2.787  -2.277  -3.859
 1140TIP3   OH2 9728  -4.194  -2.099  -3.333
 1140TIP3    H1 9729  -4.161  -2.190  -3.330
 1140TIP3    H2 9730  -4.116  -2.046  -3.311
 1141TIP3   OH2 9731  -4.332  -1.840  -3.244
 1141TIP3    H1 9732  -4.293  -1.886  -3.320
 1141TIP3    H2 9733  -4.329  -1.747  -3.273
 1142TIP3   OH2 9734  -2.516  -2.201  -2.663
 1142TIP3    H1 9735  -2.603  -2.164  -2.637
 1142TIP3    H2 9736  -2.541  -2.256  -2.739
 1143TIP3   OH2 9737  -2.513  -2.181  -4.180
 1143TIP3    H1 9738  -2.485  -2.257  -4.232
 1143TIP3    H2 9739  -2.428  -2.135  -4.169
 1144TIP3   OH2 9740  -4.316  -2.226  -3.895
 1144TIP3    H1 9741  -4.401  -2.199  -3.931
 1144TIP3    H2 9742  -4.258  -2.158  -3.936
 1145TIP3   OH2 9743  -2.830  -0.687  -3.643
 1145TIP3    H1 9744  -2.776  -0.709  -3.720
 1145TIP3    H2 9745  -2.766  -0.642  -3.585
 1146TIP3   OH2 9746  -4.292  -2.332  -3.059
 1146TIP3    H1 9747  -4.359  -2.339  -2.987
 1146TIP3    H2 9748  -4.336  -2.280  -3.128
 1147TIP3   OH2 9749  -3.808  -0.910  -3.021
 1147TIP3    H1 9750  -3.830  -0.817  -3.040
 1147TIP3    H2 9751  -3.713  -0.902  -3.003
 1148TIP3   OH2 9752  -3.345  -0.788  -2.703
 1148TIP3    H1 9753  -3.344  -0.797  -2.606
 1148TIP3    H2 9754  -3.266  -0.734  -2.720
 1149TIP3   OH2 9755  -3.116  -0.642  -2.779
 1149TIP3    H1 9756  -3.049  -0.710  -2.789
 1149TIP3    H2 9757  -3.090  -0.602  -2.694
 1150TIP3   OH2 9758  -2.639  -2.376  -2.858
 1150TIP3    H1 9759  -2.721  -2.359  -2.907
 1150TIP3    H2 9760  -2.617  -2.467  -2.889
 1151TIP3   OH2 9761  -4.076  -0.560  -2.935
 1151TIP3    H1 9762  -4.137  -0.554  -3.010
 1151TIP3    H2 9763  -4.105  -0.640  -2.889
 1152TIP3   OH2 9764  -3.819  -0.635  -3.111
 1152TIP3    H1 9765  -3.901  -0.612  -3.065
 1152TIP3    H2 9766  -3.815  -0.569  -3.183
 1153TIP3   OH2 9767  -3.338  -0.640  -3.156
 1153TIP3    H1 9768  -3.379  -0.593  -3.231
 1153TIP3    H2 9769  -3.332  -0.567  -3.091
 1154TIP3   OH2 9770  -3.107  -0.772  -3.062
 1154TIP3    H1 9771  -3.192  -0.734  -3.093
 1154TIP3    H2 9772  -3.052  -0.692  -3.062
 1155TIP3   OH2 9773  -2.854  -0.598  -3.043
 1155TIP3    H1 9774  -2.858  -0.501  -3.058
 1155TIP3    H2 9775  -2.827  -0.627  -3.131
 1156TIP3   OH2 9776  -4.116  -0.726  -3.267
 1156TIP3    H1 9777  -4.132  -0.783  -3.188
 1156TIP3    H2 9778  -4.049  -0.780  -3.314
 1157TIP3   OH2 9779  -3.909  -0.862  -3.426
 1157TIP3    H1 9780  -3.927  -0.953  -3.394
 1157TIP3    H2 9781  -3.821  -0.846  -3.387
 1158TIP3   OH2 9782  -3.627  -0.816  -3.339
 1158TIP3    H1 9783  -3.615  -0.910  -3.360
 1158TIP3    H2 9784  -3.625  -0.820  -3.242
 1159TIP3   OH2 9785  -3.295  -2.226  -3.439
 1159TIP3    H1 9786  -3.351  -2.291  -3.394
 1159TIP3    H2 9787  -3.219  -2.280  -3.468
 1160TIP3   OH2 9788  -2.802  -2.421  -3.362
 1160TIP3    H1 9789  -2.722  -2.386  -3.404
 1160TIP3    H2 9790  -2.874  -2.381  -3.413
 1161TIP3   OH2 9791  -2.596  -2.305  -3.577
 1161TIP3    H1 9792  -2.527  -2.357  -3.621
 1161TIP3    H2 9793  -2.554  -2.217  -3.570
 1162TIP3   OH2 9794  -4.101  -2.368  -3.661
 1162TIP3    H1 9795  -4.180  -2.394  -3.710
 1162TIP3    H2 9796  -4.047  -2.449  -3.665
 1163TIP3   OH2 9797  -4.177  -2.400  -4.081
 1163TIP3    H1 9798  -4.134  -2.330  -4.134
 1163TIP3    H2 9799  -4.230  -2.346  -4.019
 1164TIP3   OH2 9800  -3.047  -2.368  -3.520
 1164TIP3    H1 9801  -3.042  -2.368  -3.618
 1164TIP3    H2 9802  -3.074  -2.458  -3.498
 1165TIP3   OH2 9803  -2.943  -2.365  -3.925
 1165TIP3    H1 9804  -3.023  -2.313  -3.945
 1165TIP3    H2 9805  -2.974  -2.456  -3.933
 1166TIP3   OH2 9806  -4.178  -0.804  -3.992
 1166TIP3    H1 9807  -4.266  -0.825  -4.027
 1166TIP3    H2 9808  -4.186  -0.711  -3.971
 1167TIP3   OH2 9809  -4.001  -2.219  -4.233
 1167TIP3    H1 9810  -3.950  -2.290  -4.274
 1167TIP3    H2 9811  -3.939  -2.184  -4.167
 1168TIP3   OH2 9812  -3.298  -0.646  -4.146
 1168TIP3    H1 9813  -3.200  -0.634  -4.150
 1168TIP3    H2 9814  -3.308  -0.708  -4.221
 1169TIP3   OH2 9815  -2.633  -0.727  -3.885
 1169TIP3    H1 9816  -2.666  -0.810  -3.927
 1169TIP3    H2 9817  -2.658  -0.660  -3.952
 1170TIP3   OH2 9818  -4.079  -2.330  -2.703
 1170TIP3    H1 9819  -4.124  -2.405  -2.662
 1170TIP3    H2 9820  -3.988  -2.345  -2.672
 1171TIP3   OH2 9821  -3.845  -2.392  -2.527
 1171TIP3    H1 9822  -3.762  -2.426  -2.566
 1171TIP3    H2 9823  -3.878  -2.472  -2.482
 1172TIP3   OH2 9824  -3.980  -0.703  -4.245
 1172TIP3    H1 9825  -4.020  -0.679  -4.160
 1172TIP3    H2 9826  -3.918  -0.772  -4.220
 1173TIP3   OH2 9827  -3.031  -2.460  -2.509
 1173TIP3    H1 9828  -3.029  -2.507  -2.423
 1173TIP3    H2 9829  -2.937  -2.464  -2.535
 1174TIP3   OH2 9830  -2.693  -0.849  -2.649
 1174TIP3    H1 9831  -2.778  -0.859  -2.692
 1174TIP3    H2 9832  -2.699  -0.755  -2.619
 1175TIP3   OH2 9833  -1.274  -1.482  -3.628
 1175TIP3    H1 9834  -1.276  -1.386  -3.614
 1175TIP3    H2 9835  -1.352  -1.495  -3.684
 1176TIP3   OH2 9836  -1.390  -1.537  -3.320
 1176TIP3    H1 9837  -1.390  -1.592  -3.240
 1176TIP3    H2 9838  -1.417  -1.600  -3.388
 1177TIP3   OH2 9839  -2.142  -1.578  -3.152
 1177TIP3    H1 9840  -2.143  -1.654  -3.091
 1177TIP3    H2 9841  -2.071  -1.525  -3.114
 1178TIP3   OH2 9842  -1.022  -1.262  -3.488
 1178TIP3    H1 9843  -1.058  -1.334  -3.435
 1178TIP3    H2 9844  -0.993  -1.201  -3.419
 1179TIP3   OH2 9845  -2.077  -1.114  -3.305
 1179TIP3    H1 9846  -2.100  -1.206  -3.329
 1179TIP3    H2 9847  -1.984  -1.126  -3.279
 1180TIP3   OH2 9848  -2.376  -1.774  -3.763
 1180TIP3    H1 9849  -2.417  -1.686  -3.753
 1180TIP3    H2 9850  -2.446  -1.823  -3.808
 1181TIP3   OH2 9851  -2.297  -1.529  -3.579
 1181TIP3    H1 9852  -2.282  -1.612  -3.530
 1181TIP3    H2 9853  -2.212  -1.518  -3.625
 1182TIP3   OH2 9854  -1.315  -0.726  -3.432
 1182TIP3    H1 9855  -1.257  -0.799  -3.463
 1182TIP3    H2 9856  -1.343  -0.758  -3.345
 1183TIP3   OH2 9857  -1.541  -1.286  -3.264
 1183TIP3    H1 9858  -1.508  -1.359  -3.319
 1183TIP3    H2 9859  -1.460  -1.270  -3.211
 1184TIP3   OH2 9860  -0.674  -2.135  -3.199
 1184TIP3    H1 9861  -0.650  -2.073  -3.128
 1184TIP3    H2 9862  -0.613  -2.105  -3.270
 1185TIP3   OH2 9863  -1.210  -1.852  -3.213
 1185TIP3    H1 9864  -1.197  -1.948  -3.206
 1185TIP3    H2 9865  -1.220  -1.841  -3.309
 1186TIP3   OH2 9866  -1.914  -2.052  -3.505
 1186TIP3    H1 9867  -1.899  -1.967  -3.550
 1186TIP3    H2 9868  -1.949  -2.105  -3.579
 1187TIP3   OH2 9869  -1.130  -2.036  -3.674
 1187TIP3    H1 9870  -1.073  -2.080  -3.608
 1187TIP3    H2 9871  -1.064  -1.992  -3.730
 1188TIP3   OH2 9872  -2.244  -1.778  -3.454
 1188TIP3    H1 9873  -2.181  -1.826  -3.397
 1188TIP3    H2 9874  -2.236  -1.828  -3.537
 1189TIP3   OH2 9875  -1.706  -1.640  -3.509
 1189TIP3    H1 9876  -1.636  -1.694  -3.469
 1189TIP3    H2 9877  -1.757  -1.707  -3.559
 1190TIP3   OH2 9878  -0.601  -1.997  -2.951
 1190TIP3    H1 9879  -0.660  -1.925  -2.980
 1190TIP3    H2 9880  -0.620  -1.998  -2.856
 1191TIP3   OH2 9881  -2.033  -2.172  -3.089
 1191TIP3    H1 9882  -2.075  -2.122  -3.161
 1191TIP3    H2 9883  -2.098  -2.161  -3.018
 1192TIP3   OH2 9884  -1.281  -1.194  -3.752
 1192TIP3    H1 9885  -1.320  -1.221  -3.835
 1192TIP3    H2 9886  -1.329  -1.111  -3.732
 1193TIP3   OH2 9887  -1.740  -1.384  -3.077
 1193TIP3    H1 9888  -1.814  -1.325  -3.051
 1193TIP3    H2 9889  -1.678  -1.322  -3.119
 1194TIP3   OH2 9890  -0.945  -2.110  -3.470
 1194TIP3    H1 9891  -0.987  -2.169  -3.405
 1194TIP3    H2 9892  -0.894  -2.050  -3.413
 1195TIP3   OH2 9893  -2.074  -1.967  -3.296
 1195TIP3    H1 9894  -2.009  -1.911  -3.248
 1195TIP3    H2 9895  -2.016  -2.004  -3.365
 1196TIP3   OH2 9896  -1.943  -1.197  -3.006
 1196TIP3    H1 9897  -1.945  -1.104  -3.033
 1196TIP3    H2 9898  -2.028  -1.204  -2.959
 1197TIP3   OH2 9899  -2.312  -1.226  -3.919
 1197TIP3    H1 9900  -2.330  -1.182  -4.003
 1197TIP3    H2 9901  -2.295  -1.152  -3.857
 1198TIP3   OH2 9902  -0.966  -1.083  -3.240
 1198TIP3    H1 9903  -1.063  -1.070  -3.236
 1198TIP3    H2 9904  -0.938  -0.996  -3.275
 1199TIP3   OH2 9905  -0.933  -2.195  -3.085
 1199TIP3    H1 9906  -1.010  -2.156  -3.130
 1199TIP3    H2 9907  -0.860  -2.176  -3.148
 1200TIP3   OH2 9908  -1.619  -2.423  -3.380
 1200TIP3    H1 9909  -1.642  -2.518  -3.385
 1200TIP3    H2 9910  -1.702  -2.385  -3.343
 1201TIP3   OH2 9911  -1.136  -0.887  -3.583
 1201TIP3    H1 9912  -1.088  -0.967  -3.612
 1201TIP3    H2 9913  -1.067  -0.819  -3.592
 1202TIP3   OH2 9914  -0.989  -1.101  -3.722
 1202TIP3    H1 9915  -1.044  -1.148  -3.786
 1202TIP3    H2 9916  -0.994  -1.163  -3.646
 1203TIP3   OH2 9917  -0.835  -1.219  -2.870
 1203TIP3    H1 9918  -0.846  -1.284  -2.943
 1203TIP3    H2 9919  -0.824  -1.136  -2.920
 1204TIP3   OH2 9920  -1.406  -1.531  -3.905
 1204TIP3    H1 9921  -1.473  -1.470  -3.940
 1204TIP3    H2 9922  -1.334  -1.523  -3.970
 1205TIP3   OH2 9923  -1.389  -1.706  -4.207
 1205TIP3    H1 9924  -1.321  -1.676  -4.144
 1205TIP3    H2 9925  -1.335  -1.767  -4.262
 1206TIP3   OH2 9926  -0.660  -1.602  -3.076
 1206TIP3    H1 9927  -0.732  -1.537  -3.068
 1206TIP3    H2 9928  -0.612  -1.567  -3.154
 1207TIP3   OH2 9929  -1.058  -1.529  -3.795
 1207TIP3    H1 9930  -1.127  -1.509  -3.727
 1207TIP3    H2 9931  -0.999  -1.586  -3.742
 1208TIP3   OH2 9932  -1.075  -1.675  -2.909
 1208TIP3    H1 9933  -1.069  -1.593  -2.858
 1208TIP3    H2 9934  -1.140  -1.646  -2.976
 1209TIP3   OH2 9935  -1.899  -1.452  -3.616
 1209TIP3    H1 9936  -1.929  -1.496  -3.698
 1209TIP3    H2 9937  -1.834  -1.516  -3.582
 1210TIP3   OH2 9938  -1.762  -1.110  -3.343
 1210TIP3    H1 9939  -1.773  -1.152  -3.429
 1210TIP3    H2 9940  -1.683  -1.157  -3.308
 1211TIP3   OH2 9941  -1.841  -1.570  -3.267
 1211TIP3    H1 9942  -1.782  -1.567  -3.345
 1211TIP3    H2 9943  -1.800  -1.504  -3.208
 1212TIP3   OH2 9944  -1.245  -1.020  -3.210
 1212TIP3    H1 9945  -1.244  -0.952  -3.139
 1212TIP3    H2 9946  -1.268  -1.101  -3.162
 1213TIP3   OH2 9947  -1.756  -1.139  -2.784
 1213TIP3    H1 9948  -1.806  -1.073  -2.733
 1213TIP3    H2 9949  -1.821  -1.165  -2.852
 1214TIP3   OH2 9950  -1.151  -1.582  -4.057
 1214TIP3    H1 9951  -1.109  -1.557  -3.972
 1214TIP3    H2 9952  -1.089  -1.541  -4.121
 1215TIP3   OH2 9953  -2.063  -1.496  -2.873
 1215TIP3    H1 9954  -2.058  -1.442  -2.792
 1215TIP3    H2 9955  -2.159  -1.514  -2.878
 1216TIP3   OH2 9956  -1.418  -0.923  -3.696
 1216TIP3    H1 9957  -1.368  -0.898  -3.617
 1216TIP3    H2 9958  -1.465  -0.842  -3.718
 1217TIP3   OH2 9959  -1.945  -0.922  -2.702
 1217TIP3    H1 9960  -1.958  -0.917  -2.798
 1217TIP3    H2 9961  -2.033  -0.947  -2.669
 1218TIP3   OH2 9962  -0.811  -2.416  -4.057
 1218TIP3    H1 9963  -0.908  -2.408  -4.047
 1218TIP3    H2 9964  -0.790  -2.336  -4.107
 1219TIP3   OH2 9965  -2.006  -1.577  -3.862
 1219TIP3    H1 9966  -2.030  -1.502  -3.920
 1219TIP3    H2 9967  -2.072  -1.643  -3.888
 1220TIP3   OH2 9968  -0.701  -0.982  -4.256
 1220TIP3    H1 9969  -0.672  -0.906  -4.203
 1220TIP3    H2 9970  -0.630  -1.048  -4.239
 1221TIP3   OH2 9971  -2.405  -1.311  -2.991
 1221TIP3    H1 9972  -2.442  -1.314  -3.081
 1221TIP3    H2 9973  -2.385  -1.406  -2.974
 1222TIP3   OH2 9974  -2.395  -1.019  -3.295
 1222TIP3    H1 9975  -2.302  -1.047  -3.293
 1222TIP3    H2 9976  -2.396  -0.952  -3.224
 1223TIP3   OH2 9977  -0.557  -0.955  -2.721
 1223TIP3    H1 9978  -0.567  -1.050  -2.739
 1223TIP3    H2 9979  -0.648  -0.932  -2.691
 1224TIP3   OH2 9980  -1.492  -1.033  -2.841
 1224TIP3    H1 9981  -1.484  -0.952  -2.787
 1224TIP3    H2 9982  -1.582  -1.064  -2.816
 1225TIP3   OH2 9983  -1.461  -0.654  -3.847
 1225TIP3    H1 9984  -1.462  -0.642  -3.944
 1225TIP3    H2 9985  -1.457  -0.562  -3.814
 1226TIP3   OH2 9986  -2.083  -0.741  -3.681
 1226TIP3    H1 9987  -2.066  -0.783  -3.594
 1226TIP3    H2 9988  -2.170  -0.779  -3.702
 1227TIP3   OH2 9989  -1.138  -0.691  -4.133
 1227TIP3    H1 9990  -1.094  -0.752  -4.196
 1227TIP3    H2 9991  -1.138  -0.744  -4.051
 1228TIP3   OH2 9992  -1.190  -0.766  -3.862
 1228TIP3    H1 9993  -1.283  -0.749  -3.840
 1228TIP3    H2 9994  -1.168  -0.834  -3.796
 1229TIP3   OH2 9995  -0.878  -1.821  -2.677
 1229TIP3    H1 9996  -0.930  -1.781  -2.749
 1229TIP3    H2 9997  -0.874  -1.914  -2.706
 1230TIP3   OH2 9998  -2.184  -1.155  -2.863
 1230TIP3    H1 9999  -2.154  -1.202  -2.782
 1230TIP3    H210000  -2.254  -1.214  -2.898
 1231TIP3   OH210001  -1.862  -2.308  -3.289
 1231TIP3    H110002  -1.944  -2.315  -3.341
 1231TIP3    H210003  -1.886  -2.236  -3.229
 1232TIP3   OH210004  -1.425  -2.351  -2.925
 1232TIP3    H110005  -1.373  -2.403  -2.861
 1232TIP3    H210006  -1.516  -2.384  -2.912
 1233TIP3   OH210007  -1.108  -1.971  -2.872
 1233TIP3    H110008  -1.170  -1.987  -2.798
 1233TIP3    H210009  -1.116  -1.875  -2.887
 1234TIP3   OH210010  -0.929  -1.503  -4.250
 1234TIP3    H110011  -0.976  -1.520  -4.333
 1234TIP3    H210012  -0.896  -1.414  -4.268
 1235TIP3   OH210013  -1.442  -2.112  -4.216
 1235TIP3    H110014  -1.497  -2.109  -4.137
 1235TIP3    H210015  -1.488  -2.181  -4.266
 1236TIP3   OH210016  -1.877  -1.830  -3.150
 1236TIP3    H110017  -1.931  -1.818  -3.070
 1236TIP3    H210018  -1.869  -1.738  -3.184
 1237TIP3   OH210019  -1.882  -1.821  -3.661
 1237TIP3    H110020  -1.977  -1.833  -3.677
 1237TIP3    H210021  -1.847  -1.842  -3.750
 1238TIP3   OH210022  -1.314  -1.768  -3.785
 1238TIP3    H110023  -1.355  -1.685  -3.818
 1238TIP3    H210024  -1.250  -1.788  -3.856
 1239TIP3   OH210025  -1.402  -1.745  -2.647
 1239TIP3    H110026  -1.453  -1.821  -2.611
 1239TIP3    H210027  -1.315  -1.759  -2.606
 1240TIP3   OH210028  -1.235  -1.827  -3.505
 1240TIP3    H110029  -1.263  -1.769  -3.580
 1240TIP3    H210030  -1.214  -1.908  -3.556
 1241TIP3   OH210031  -2.145  -1.811  -2.963
 1241TIP3    H110032  -2.111  -1.785  -2.877
 1241TIP3    H210033  -2.177  -1.902  -2.944
 1242TIP3   OH210034  -1.764  -2.066  -4.311
 1242TIP3    H110035  -1.801  -2.100  -4.227
 1242TIP3    H210036  -1.843  -2.021  -4.348
 1243TIP3   OH210037  -2.456  -2.064  -3.601
 1243TIP3    H110038  -2.395  -2.069  -3.525
 1243TIP3    H210039  -2.406  -2.105  -3.673
 1244TIP3   OH210040  -2.301  -2.023  -4.038
 1244TIP3    H110041  -2.243  -1.978  -4.101
 1244TIP3    H210042  -2.366  -1.954  -4.018
 1245TIP3   OH210043  -1.326  -1.658  -3.059
 1245TIP3    H110044  -1.282  -1.731  -3.109
 1245TIP3    H210045  -1.359  -1.706  -2.981
 1246TIP3   OH210046  -1.604  -2.063  -3.557
 1246TIP3    H110047  -1.699  -2.068  -3.535
 1246TIP3    H210048  -1.563  -2.083  -3.471
 1247TIP3   OH210049  -2.147  -1.941  -3.690
 1247TIP3    H110050  -2.229  -1.915  -3.736
 1247TIP3    H210051  -2.118  -2.020  -3.738
 1248TIP3   OH210052  -1.787  -1.899  -3.920
 1248TIP3    H110053  -1.690  -1.898  -3.916
 1248TIP3    H210054  -1.809  -1.843  -3.997
 1249TIP3   OH210055  -1.166  -2.149  -3.256
 1249TIP3    H110056  -1.230  -2.148  -3.181
 1249TIP3    H210057  -1.224  -2.183  -3.326
 1250TIP3   OH210058  -1.930  -1.784  -4.160
 1250TIP3    H110059  -1.990  -1.839  -4.213
 1250TIP3    H210060  -1.854  -1.774  -4.218
 1251TIP3   OH210061  -0.866  -0.572  -2.590
 1251TIP3    H110062  -0.842  -0.525  -2.671
 1251TIP3    H210063  -0.800  -0.538  -2.527
 1252TIP3   OH210064  -2.075  -1.310  -2.647
 1252TIP3    H110065  -2.008  -1.302  -2.576
 1252TIP3    H210066  -2.156  -1.309  -2.593
 1253TIP3   OH210067  -1.503  -1.808  -3.375
 1253TIP3    H110068  -1.430  -1.852  -3.420
 1253TIP3    H210069  -1.520  -1.869  -3.300
 1254TIP3   OH210070  -1.972  -2.167  -3.762
 1254TIP3    H110071  -2.027  -2.245  -3.748
 1254TIP3    H210072  -1.890  -2.206  -3.796
 1255TIP3   OH210073  -1.605  -1.962  -3.151
 1255TIP3    H110074  -1.684  -1.905  -3.149
 1255TIP3    H210075  -1.558  -1.938  -3.069
 1256TIP3   OH210076  -1.591  -1.324  -3.961
 1256TIP3    H110077  -1.668  -1.374  -3.995
 1256TIP3    H210078  -1.611  -1.319  -3.864
 1257TIP3   OH210079  -0.869  -1.408  -3.087
 1257TIP3    H110080  -0.820  -1.353  -3.152
 1257TIP3    H210081  -0.955  -1.419  -3.132
 1258TIP3   OH210082  -1.175  -2.047  -4.183
 1258TIP3    H110083  -1.273  -2.051  -4.186
 1258TIP3    H210084  -1.156  -1.971  -4.125
 1259TIP3   OH210085  -1.429  -1.323  -2.829
 1259TIP3    H110086  -1.457  -1.355  -2.742
 1259TIP3    H210087  -1.458  -1.231  -2.828
 1260TIP3   OH210088  -1.115  -1.861  -3.988
 1260TIP3    H110089  -1.029  -1.880  -3.945
 1260TIP3    H210090  -1.100  -1.775  -4.029
 1261TIP3   OH210091  -2.079  -1.385  -3.378
 1261TIP3    H110092  -2.022  -1.396  -3.457
 1261TIP3    H210093  -2.067  -1.471  -3.333
 1262TIP3   OH210094  -1.348  -1.189  -4.072
 1262TIP3    H110095  -1.376  -1.102  -4.038
 1262TIP3    H210096  -1.423  -1.244  -4.042
 1263TIP3   OH210097  -2.356  -1.557  -2.853
 1263TIP3    H110098  -2.338  -1.600  -2.767
 1263TIP3    H210099  -2.415  -1.622  -2.896
 1264TIP3   OH210100  -1.655  -1.606  -2.655
 1264TIP3    H110101  -1.688  -1.632  -2.742
 1264TIP3    H210102  -1.562  -1.635  -2.661
 1265TIP3   OH210103  -1.202  -1.064  -2.882
 1265TIP3    H110104  -1.298  -1.055  -2.887
 1265TIP3    H210105  -1.185  -1.039  -2.789
 1266TIP3   OH210106  -0.644  -1.851  -3.999
 1266TIP3    H110107  -0.707  -1.872  -4.071
 1266TIP3    H210108  -0.632  -1.757  -4.017
 1267TIP3   OH210109  -0.603  -1.255  -2.723
 1267TIP3    H110110  -0.697  -1.233  -2.742
 1267TIP3    H210111  -0.569  -1.272  -2.813
 1268TIP3   OH210112  -0.821  -0.996  -3.993
 1268TIP3    H110113  -0.852  -1.069  -3.938
 1268TIP3    H210114  -0.786  -1.042  -4.071
 1269TIP3   OH210115  -1.104  -1.464  -3.257
 1269TIP3    H110116  -1.197  -1.480  -3.280
 1269TIP3    H210117  -1.060  -1.537  -3.306
 1270TIP3   OH210118  -1.840  -1.057  -3.655
 1270TIP3    H110119  -1.798  -0.970  -3.664
 1270TIP3    H210120  -1.933  -1.037  -3.674
 1271TIP3   OH210121  -2.234  -1.565  -4.200
 1271TIP3    H110122  -2.178  -1.501  -4.152
 1271TIP3    H210123  -2.323  -1.544  -4.167
 1272TIP3   OH210124  -1.657  -1.287  -3.692
 1272TIP3    H110125  -1.689  -1.196  -3.676
 1272TIP3    H210126  -1.726  -1.338  -3.647
 1273TIP3   OH210127  -1.641  -0.862  -3.055
 1273TIP3    H110128  -1.585  -0.786  -3.082
 1273TIP3    H210129  -1.580  -0.911  -2.998
 1274TIP3   OH210130  -1.796  -0.766  -3.735
 1274TIP3    H110131  -1.892  -0.753  -3.724
 1274TIP3    H210132  -1.761  -0.679  -3.708
 1275TIP3   OH210133  -1.301  -1.287  -3.098
 1275TIP3    H110134  -1.329  -1.314  -3.009
 1275TIP3    H210135  -1.226  -1.347  -3.115
 1276TIP3   OH210136  -1.082  -1.152  -4.194
 1276TIP3    H110137  -1.035  -1.200  -4.123
 1276TIP3    H210138  -1.173  -1.165  -4.163
 1277TIP3   OH210139  -1.005  -0.831  -2.860
 1277TIP3    H110140  -1.081  -0.875  -2.900
 1277TIP3    H210141  -0.996  -0.750  -2.914
 1278TIP3   OH210142  -0.595  -0.712  -4.161
 1278TIP3    H110143  -0.524  -0.646  -4.146
 1278TIP3    H210144  -0.674  -0.660  -4.135
 1279TIP3   OH210145  -2.220  -2.093  -2.892
 1279TIP3    H110146  -2.312  -2.067  -2.914
 1279TIP3    H210147  -2.234  -2.178  -2.847
 1280TIP3   OH210148  -0.985  -1.297  -3.970
 1280TIP3    H110149  -1.013  -1.367  -3.908
 1280TIP3    H210150  -0.888  -1.301  -3.959
 1281TIP3   OH210151  -2.247  -0.918  -3.049
 1281TIP3    H110152  -2.213  -1.007  -3.032
 1281TIP3    H210153  -2.224  -0.873  -2.966
 1282TIP3   OH210154  -1.634  -1.054  -4.325
 1282TIP3    H110155  -1.598  -1.139  -4.355
 1282TIP3    H210156  -1.690  -1.083  -4.251
 1283TIP3   OH210157  -1.781  -1.099  -4.074
 1283TIP3    H110158  -1.728  -1.153  -4.014
 1283TIP3    H210159  -1.758  -1.007  -4.047
 1284TIP3   OH210160  -2.094  -1.362  -4.038
 1284TIP3    H110161  -2.168  -1.321  -3.988
 1284TIP3    H210162  -2.045  -1.284  -4.067
 1285TIP3   OH210163  -1.323  -2.109  -3.036
 1285TIP3    H110164  -1.262  -2.082  -2.965
 1285TIP3    H210165  -1.373  -2.182  -2.995
 1286TIP3   OH210166  -1.265  -2.152  -3.921
 1286TIP3    H110167  -1.233  -2.104  -3.998
 1286TIP3    H210168  -1.213  -2.114  -3.849
 1287TIP3   OH210169  -1.484  -0.940  -4.029
 1287TIP3    H110170  -1.561  -0.889  -4.001
 1287TIP3    H210171  -1.432  -0.873  -4.074
 1288TIP3   OH210172  -1.521  -1.961  -3.815
 1288TIP3    H110173  -1.441  -1.906  -3.800
 1288TIP3    H210174  -1.549  -1.980  -3.724
 1289TIP3   OH210175  -1.481  -1.874  -2.900
 1289TIP3    H110176  -1.478  -1.822  -2.818
 1289TIP3    H210177  -1.429  -1.951  -2.876
 1290TIP3   OH210178  -1.456  -2.261  -3.723
 1290TIP3    H110179  -1.477  -2.192  -3.657
 1290TIP3    H210180  -1.386  -2.217  -3.775
 1291TIP3   OH210181  -1.763  -0.821  -4.025
 1291TIP3    H110182  -1.759  -0.735  -4.072
 1291TIP3    H210183  -1.777  -0.793  -3.932
 1292TIP3   OH210184  -1.886  -2.152  -4.081
 1292TIP3    H110185  -1.890  -2.084  -4.012
 1292TIP3    H210186  -1.814  -2.210  -4.048
 1293TIP3   OH210187  -0.855  -2.073  -2.810
 1293TIP3    H110188  -0.951  -2.060  -2.825
 1293TIP3    H210189  -0.829  -2.095  -2.900
 1294TIP3   OH210190  -1.004  -1.689  -3.409
 1294TIP3    H110191  -1.086  -1.734  -3.435
 1294TIP3    H210192  -0.956  -1.760  -3.361
 1295TIP3   OH210193  -2.052  -1.064  -4.158
 1295TIP3    H110194  -1.970  -1.038  -4.113
 1295TIP3    H210195  -2.015  -1.117  -4.230
 1296TIP3   OH210196  -2.226  -1.847  -4.256
 1296TIP3    H110197  -2.214  -1.752  -4.239
 1296TIP3    H210198  -2.317  -1.850  -4.289
 1297TIP3   OH210199  -0.902  -0.805  -3.272
 1297TIP3    H110200  -0.918  -0.721  -3.319
 1297TIP3    H210201  -0.810  -0.791  -3.243
 1298TIP3   OH210202  -2.141  -2.352  -3.371
 1298TIP3    H110203  -2.158  -2.355  -3.467
 1298TIP3    H210204  -2.174  -2.439  -3.340
 1299TIP3   OH210205  -2.254  -1.002  -3.748
 1299TIP3    H110206  -2.331  -0.949  -3.724
 1299TIP3    H210207  -2.213  -0.950  -3.818
 1300TIP3   OH210208  -2.305  -0.714  -2.635
 1300TIP3    H110209  -2.254  -0.736  -2.555
 1300TIP3    H210210  -2.347  -0.799  -2.658
 1301TIP3   OH210211  -1.840  -0.804  -2.448
 1301TIP3    H110212  -1.772  -0.870  -2.427
 1301TIP3    H210213  -1.863  -0.831  -2.539
 1302TIP3   OH210214  -1.419  -0.871  -4.333
 1302TIP3    H110215  -1.501  -0.925  -4.325
 1302TIP3    H210216  -1.355  -0.941  -4.352
 1303TIP3   OH210217  -1.193  -0.981  -2.594
 1303TIP3    H110218  -1.234  -1.060  -2.555
 1303TIP3    H210219  -1.126  -0.956  -2.527
 1304TIP3   OH210220  -1.023  -0.886  -4.288
 1304TIP3    H110221  -1.024  -0.975  -4.248
 1304TIP3    H210222  -0.936  -0.885  -4.328
 1305TIP3   OH210223  -2.329  -1.342  -2.536
 1305TIP3    H110224  -2.318  -1.435  -2.560
 1305TIP3    H210225  -2.405  -1.316  -2.591
 1306TIP3   OH210226  -1.888  -1.288  -4.306
 1306TIP3    H110227  -1.878  -1.361  -4.243
 1306TIP3    H210228  -1.823  -1.311  -4.374
 1307TIP3   OH210229  -1.651  -1.330  -2.583
 1307TIP3    H110230  -1.683  -1.297  -2.668
 1307TIP3    H210231  -1.645  -1.427  -2.597
 1308TIP3   OH210232  -1.357  -1.188  -4.348
 1308TIP3    H110233  -1.346  -1.180  -4.251
 1308TIP3    H210234  -1.296  -1.260  -4.371
 1309TIP3   OH210235  -1.116  -1.369  -2.844
 1309TIP3    H110236  -1.038  -1.314  -2.862
 1309TIP3    H210237  -1.186  -1.301  -2.844
 1310TIP3   OH210238  -2.231  -1.631  -2.601
 1310TIP3    H110239  -2.159  -1.697  -2.600
 1310TIP3    H210240  -2.235  -1.609  -2.506
 1311TIP3   OH210241  -1.786  -1.499  -4.089
 1311TIP3    H110242  -1.848  -1.546  -4.030
 1311TIP3    H210243  -1.752  -1.572  -4.144
 1312TIP3   OH210244  -1.866  -1.724  -2.860
 1312TIP3    H110245  -1.916  -1.645  -2.834
 1312TIP3    H210246  -1.798  -1.686  -2.918
 1313TIP3   OH210247  -1.668  -1.685  -4.277
 1313TIP3    H110248  -1.662  -1.716  -4.369
 1313TIP3    H210249  -1.573  -1.690  -4.251
 1314TIP3   OH210250  -1.333  -1.452  -2.501
 1314TIP3    H110251  -1.243  -1.472  -2.531
 1314TIP3    H210252  -1.359  -1.536  -2.461
 1315TIP3   OH210253  -1.803  -1.992  -2.742
 1315TIP3    H110254  -1.798  -2.059  -2.812
 1315TIP3    H210255  -1.826  -1.912  -2.793
 1316TIP3   OH210256  -1.771  -2.147  -2.997
 1316TIP3    H110257  -1.720  -2.095  -3.062
 1316TIP3    H210258  -1.862  -2.144  -3.033
 1317TIP3   OH210259  -1.618  -1.602  -2.957
 1317TIP3    H110260  -1.533  -1.611  -3.004
 1317TIP3    H210261  -1.647  -1.514  -2.987
 1318TIP3   OH210262  -1.159  -1.808  -2.479
 1318TIP3    H110263  -1.137  -1.901  -2.464
 1318TIP3    H210264  -1.071  -1.768  -2.486
 1319TIP3   OH210265  -1.061  -1.529  -2.628
 1319TIP3    H110266  -1.096  -1.468  -2.697
 1319TIP3    H210267  -0.972  -1.545  -2.665
 1320TIP3   OH210268  -1.985  -1.807  -2.565
 1320TIP3    H110269  -2.039  -1.888  -2.561
 1320TIP3    H210270  -1.903  -1.840  -2.606
 1321TIP3   OH210271  -1.699  -2.414  -2.962
 1321TIP3    H110272  -1.717  -2.319  -2.977
 1321TIP3    H210273  -1.769  -2.456  -3.015
 1322TIP3   OH210274  -1.573  -1.957  -2.582
 1322TIP3    H110275  -1.610  -1.979  -2.494
 1322TIP3    H210276  -1.652  -1.976  -2.637
 1323TIP3   OH210277  -1.319  -2.052  -2.696
 1323TIP3    H110278  -1.408  -2.047  -2.656
 1323TIP3    H210279  -1.274  -2.115  -2.637
 1324TIP3   OH210280  -1.130  -2.204  -2.520
 1324TIP3    H110281  -1.151  -2.298  -2.506
 1324TIP3    H210282  -1.154  -2.162  -2.435
 1325TIP3   OH210283  -2.117  -2.063  -2.579
 1325TIP3    H110284  -2.126  -2.135  -2.644
 1325TIP3    H210285  -2.139  -2.109  -2.496
 1326TIP3   OH210286  -1.714  -2.464  -2.680
 1326TIP3    H110287  -1.657  -2.542  -2.674
 1326TIP3    H210288  -1.718  -2.450  -2.776
 1327TIP3   OH210289  -1.619  -2.276  -2.497
 1327TIP3    H110290  -1.651  -2.337  -2.566
 1327TIP3    H210291  -1.691  -2.211  -2.491
 1328TIP3   OH210292  -1.708  -0.574  -4.173
 1328TIP3    H110293  -1.613  -0.559  -4.161
 1328TIP3    H210294  -1.732  -0.512  -4.243
 1329TIP3   OH210295  -2.324  -1.168  -4.197
 1329TIP3    H110296  -2.234  -1.131  -4.197
 1329TIP3    H210297  -2.325  -1.222  -4.277
 1330TIP3   OH210298  -2.417  -0.618  -3.722
 1330TIP3    H110299  -2.492  -0.651  -3.775
 1330TIP3    H210300  -2.414  -0.683  -3.649
 1331TIP3   OH210301  -2.383  -0.814  -3.521
 1331TIP3    H110302  -2.413  -0.900  -3.489
 1331TIP3    H210303  -2.352  -0.776  -3.437
 1332TIP3   OH210304  -0.630  -0.685  -3.220
 1332TIP3    H110305  -0.615  -0.688  -3.124
 1332TIP3    H210306  -0.543  -0.658  -3.251
 1333TIP3   OH210307  -0.641  -0.742  -2.932
 1333TIP3    H110308  -0.692  -0.818  -2.967
 1333TIP3    H210309  -0.584  -0.788  -2.868
 1334TIP3   OH210310  -0.840  -1.198  -2.502
 1334TIP3    H110311  -0.928  -1.190  -2.462
 1334TIP3    H210312  -0.794  -1.118  -2.469
 1335TIP3   OH210313  -0.700  -1.315  -3.930
 1335TIP3    H110314  -0.610  -1.281  -3.916
 1335TIP3    H210315  -0.706  -1.379  -3.857
 1336TIP3   OH210316  -0.655  -1.514  -3.732
 1336TIP3    H110317  -0.722  -1.571  -3.688
 1336TIP3    H210318  -0.586  -1.502  -3.664
 1337TIP3   OH210319  -0.682  -1.263  -3.234
 1337TIP3    H110320  -0.619  -1.312  -3.290
 1337TIP3    H210321  -0.668  -1.172  -3.264
 1338TIP3   OH210322  -0.810  -0.971  -3.010
 1338TIP3    H110323  -0.883  -0.931  -2.959
 1338TIP3    H210324  -0.857  -1.008  -3.087
 1339TIP3   OH210325  -0.626  -1.548  -4.108
 1339TIP3    H110326  -0.690  -1.520  -4.175
 1339TIP3    H210327  -0.645  -1.483  -4.038
 1340TIP3   OH210328  -0.807  -1.810  -4.217
 1340TIP3    H110329  -0.774  -1.736  -4.271
 1340TIP3    H210330  -0.765  -1.885  -4.260
 1341TIP3   OH210331  -0.862  -1.700  -3.651
 1341TIP3    H110332  -0.870  -1.796  -3.666
 1341TIP3    H210333  -0.900  -1.691  -3.561
 1342TIP3   OH210334  -2.376  -1.480  -3.278
 1342TIP3    H110335  -2.351  -1.475  -3.372
 1342TIP3    H210336  -2.289  -1.503  -3.238
 1343TIP3   OH210337  -0.800  -1.507  -2.737
 1343TIP3    H110338  -0.727  -1.569  -2.718
 1343TIP3    H210339  -0.754  -1.424  -2.755
 1344TIP3   OH210340  -0.645  -1.696  -2.614
 1344TIP3    H110341  -0.724  -1.750  -2.635
 1344TIP3    H210342  -0.574  -1.763  -2.616
 1345TIP3   OH210343  -0.881  -2.134  -4.340
 1345TIP3    H110344  -0.823  -2.155  -4.266
 1345TIP3    H210345  -0.969  -2.163  -4.312
 1346TIP3   OH210346  -0.882  -1.946  -3.837
 1346TIP3    H110347  -0.856  -2.041  -3.829
 1346TIP3    H210348  -0.800  -1.909  -3.872
 1347TIP3   OH210349  -0.851  -1.889  -3.289
 1347TIP3    H110350  -0.753  -1.878  -3.291
 1347TIP3    H210351  -0.866  -1.887  -3.193
 1348TIP3   OH210352  -0.835  -1.820  -3.007
 1348TIP3    H110353  -0.920  -1.781  -2.980
 1348TIP3    H210354  -0.782  -1.740  -3.027
 1349TIP3   OH210355  -2.384  -1.941  -2.642
 1349TIP3    H110356  -2.291  -1.968  -2.633
 1349TIP3    H210357  -2.429  -2.028  -2.635
 1350TIP3   OH210358  -0.579  -2.405  -2.478
 1350TIP3    H110359  -0.536  -2.473  -2.533
 1350TIP3    H210360  -0.575  -2.327  -2.536
 1351TIP3   OH210361  -0.831  -2.220  -3.827
 1351TIP3    H110362  -0.818  -2.259  -3.740
 1351TIP3    H210363  -0.903  -2.276  -3.863
 1352TIP3   OH210364  -2.309  -2.109  -3.358
 1352TIP3    H110365  -2.264  -2.195  -3.352
 1352TIP3    H210366  -2.239  -2.049  -3.325
 1353TIP3   OH210367  -2.456  -1.837  -3.255
 1353TIP3    H110368  -2.396  -1.848  -3.330
 1353TIP3    H210369  -2.416  -1.760  -3.211
 1354TIP3   OH210370  -0.642  -2.200  -2.652
 1354TIP3    H110371  -0.729  -2.157  -2.649
 1354TIP3    H210372  -0.653  -2.254  -2.733
 1355TIP3   OH210373  -0.627  -2.180  -4.177
 1355TIP3    H110374  -0.605  -2.256  -4.233
 1355TIP3    H210375  -0.542  -2.134  -4.170
 1356TIP3   OH210376  -2.404  -2.204  -3.850
 1356TIP3    H110377  -2.498  -2.204  -3.872
 1356TIP3    H210378  -2.365  -2.148  -3.919
 1357TIP3   OH210379  -0.943  -0.683  -3.642
 1357TIP3    H110380  -0.892  -0.711  -3.720
 1357TIP3    H210381  -0.875  -0.645  -3.585
 1358TIP3   OH210382  -2.400  -2.319  -3.035
 1358TIP3    H110383  -2.469  -2.348  -2.973
 1358TIP3    H210384  -2.451  -2.270  -3.100
 1359TIP3   OH210385  -2.199  -1.016  -2.566
 1359TIP3    H110386  -2.272  -1.009  -2.629
 1359TIP3    H210387  -2.243  -1.011  -2.480
 1360TIP3   OH210388  -1.918  -0.914  -3.001
 1360TIP3    H110389  -1.947  -0.827  -3.034
 1360TIP3    H210390  -1.821  -0.904  -3.017
 1361TIP3   OH210391  -1.465  -0.783  -2.699
 1361TIP3    H110392  -1.453  -0.798  -2.604
 1361TIP3    H210393  -1.383  -0.737  -2.723
 1362TIP3   OH210394  -1.236  -0.636  -2.774
 1362TIP3    H110395  -1.168  -0.702  -2.795
 1362TIP3    H210396  -1.207  -0.605  -2.687
 1363TIP3   OH210397  -0.754  -2.376  -2.855
 1363TIP3    H110398  -0.834  -2.356  -2.906
 1363TIP3    H210399  -0.732  -2.466  -2.888
 1364TIP3   OH210400  -2.182  -0.619  -2.967
 1364TIP3    H110401  -2.242  -0.554  -3.009
 1364TIP3    H210402  -2.209  -0.610  -2.875
 1365TIP3   OH210403  -1.931  -0.640  -3.112
 1365TIP3    H110404  -2.016  -0.621  -3.067
 1365TIP3    H210405  -1.927  -0.570  -3.179
 1366TIP3   OH210406  -1.456  -0.640  -3.156
 1366TIP3    H110407  -1.494  -0.594  -3.232
 1366TIP3    H210408  -1.448  -0.567  -3.091
 1367TIP3   OH210409  -1.222  -0.769  -3.065
 1367TIP3    H110410  -1.307  -0.732  -3.096
 1367TIP3    H210411  -1.166  -0.689  -3.063
 1368TIP3   OH210412  -0.969  -0.595  -3.044
 1368TIP3    H110413  -0.974  -0.500  -3.065
 1368TIP3    H210414  -0.941  -0.631  -3.130
 1369TIP3   OH210415  -2.221  -0.738  -3.273
 1369TIP3    H110416  -2.223  -0.784  -3.186
 1369TIP3    H210417  -2.144  -0.781  -3.315
 1370TIP3   OH210418  -2.019  -0.862  -3.430
 1370TIP3    H110419  -2.035  -0.955  -3.401
 1370TIP3    H210420  -1.928  -0.847  -3.396
 1371TIP3   OH210421  -1.744  -0.816  -3.340
 1371TIP3    H110422  -1.725  -0.910  -3.360
 1371TIP3    H210423  -1.737  -0.818  -3.243
 1372TIP3   OH210424  -1.411  -2.227  -3.409
 1372TIP3    H110425  -1.480  -2.294  -3.394
 1372TIP3    H210426  -1.352  -2.273  -3.470
 1373TIP3   OH210427  -0.916  -2.425  -3.362
 1373TIP3    H110428  -0.841  -2.380  -3.405
 1373TIP3    H210429  -0.991  -2.395  -3.417
 1374TIP3   OH210430  -0.707  -2.315  -3.575
 1374TIP3    H110431  -0.637  -2.355  -3.628
 1374TIP3    H210432  -0.677  -2.223  -3.567
 1375TIP3   OH210433  -2.176  -2.355  -3.652
 1375TIP3    H110434  -2.262  -2.369  -3.697
 1375TIP3    H210435  -2.133  -2.441  -3.668
 1376TIP3   OH210436  -2.304  -2.398  -4.084
 1376TIP3    H110437  -2.236  -2.339  -4.126
 1376TIP3    H210438  -2.328  -2.346  -4.006
 1377TIP3   OH210439  -1.729  -2.371  -3.665
 1377TIP3    H110440  -1.637  -2.343  -3.679
 1377TIP3    H210441  -1.731  -2.382  -3.570
 1378TIP3   OH210442  -1.167  -2.369  -3.523
 1378TIP3    H110443  -1.145  -2.383  -3.617
 1378TIP3    H210444  -1.208  -2.454  -3.500
 1379TIP3   OH210445  -1.066  -2.365  -3.914
 1379TIP3    H110446  -1.145  -2.319  -3.948
 1379TIP3    H210447  -1.092  -2.458  -3.928
 1380TIP3   OH210448  -2.288  -0.810  -3.967
 1380TIP3    H110449  -2.361  -0.811  -4.031
 1380TIP3    H210450  -2.289  -0.717  -3.940
 1381TIP3   OH210451  -2.129  -2.225  -4.223
 1381TIP3    H110452  -2.080  -2.284  -4.281
 1381TIP3    H210453  -2.057  -2.181  -4.174
 1382TIP3   OH210454  -1.616  -2.207  -3.959
 1382TIP3    H110455  -1.578  -2.263  -3.889
 1382TIP3    H210456  -1.592  -2.120  -3.926
 1383TIP3   OH210457  -1.412  -0.646  -4.146
 1383TIP3    H110458  -1.315  -0.634  -4.149
 1383TIP3    H210459  -1.423  -0.707  -4.221
 1384TIP3   OH210460  -0.748  -0.727  -3.885
 1384TIP3    H110461  -0.779  -0.811  -3.926
 1384TIP3    H210462  -0.772  -0.661  -3.953
 1385TIP3   OH210463  -2.193  -2.332  -2.703
 1385TIP3    H110464  -2.237  -2.411  -2.665
 1385TIP3    H210465  -2.102  -2.345  -2.671
 1386TIP3   OH210466  -1.958  -2.393  -2.527
 1386TIP3    H110467  -1.876  -2.430  -2.567
 1386TIP3    H210468  -1.993  -2.472  -2.483
 1387TIP3   OH210469  -2.088  -0.702  -4.232
 1387TIP3    H110470  -2.130  -0.679  -4.149
 1387TIP3    H210471  -2.025  -0.771  -4.207
 1388TIP3   OH210472  -1.146  -2.484  -2.509
 1388TIP3    H110473  -1.143  -2.524  -2.420
 1388TIP3    H210474  -1.052  -2.487  -2.534
 1389TIP3   OH210475  -0.808  -0.849  -2.640
 1389TIP3    H110476  -0.882  -0.868  -2.700
 1389TIP3    H210477  -0.826  -0.755  -2.619
 1390TIP3   OH210478   0.611  -1.482  -3.627
 1390TIP3    H110479   0.609  -1.385  -3.617
 1390TIP3    H210480   0.536  -1.496  -3.688
 1391TIP3   OH210481   0.496  -1.536  -3.319
 1391TIP3    H110482   0.495  -1.593  -3.241
 1391TIP3    H210483   0.470  -1.598  -3.389
 1392TIP3   OH210484  -0.256  -1.577  -3.152
 1392TIP3    H110485  -0.258  -1.652  -3.089
 1392TIP3    H210486  -0.185  -1.523  -3.114
 1393TIP3   OH210487   0.866  -1.262  -3.488
 1393TIP3    H110488   0.827  -1.334  -3.436
 1393TIP3    H210489   0.892  -1.201  -3.418
 1394TIP3   OH210490  -0.191  -1.114  -3.305
 1394TIP3    H110491  -0.214  -1.206  -3.329
 1394TIP3    H210492  -0.099  -1.127  -3.279
 1395TIP3   OH210493  -0.490  -1.774  -3.764
 1395TIP3    H110494  -0.531  -1.687  -3.752
 1395TIP3    H210495  -0.562  -1.824  -3.807
 1396TIP3   OH210496  -0.411  -1.529  -3.579
 1396TIP3    H110497  -0.396  -1.612  -3.530
 1396TIP3    H210498  -0.326  -1.518  -3.625
 1397TIP3   OH210499   0.571  -0.726  -3.432
 1397TIP3    H110500   0.629  -0.799  -3.463
 1397TIP3    H210501   0.543  -0.759  -3.346
 1398TIP3   OH210502   0.345  -1.286  -3.264
 1398TIP3    H110503   0.377  -1.358  -3.320
 1398TIP3    H210504   0.426  -1.270  -3.211
 1399TIP3   OH210505   1.207  -2.133  -3.205
 1399TIP3    H110506   1.227  -2.082  -3.124
 1399TIP3    H210507   1.275  -2.099  -3.266
 1400TIP3   OH210508   0.675  -1.852  -3.213
 1400TIP3    H110509   0.688  -1.948  -3.206
 1400TIP3    H210510   0.665  -1.841  -3.309
 1401TIP3   OH210511  -0.028  -2.052  -3.505
 1401TIP3    H110512  -0.013  -1.966  -3.549
 1401TIP3    H210513  -0.064  -2.103  -3.580
 1402TIP3   OH210514   0.754  -2.036  -3.672
 1402TIP3    H110515   0.815  -2.079  -3.608
 1402TIP3    H210516   0.817  -1.991  -3.731
 1403TIP3   OH210517  -0.359  -1.779  -3.454
 1403TIP3    H110518  -0.296  -1.825  -3.397
 1403TIP3    H210519  -0.350  -1.828  -3.537
 1404TIP3   OH210520   0.178  -1.639  -3.508
 1404TIP3    H110521   0.250  -1.694  -3.469
 1404TIP3    H210522   0.129  -1.706  -3.559
 1405TIP3   OH210523   1.255  -2.025  -2.957
 1405TIP3    H110524   1.216  -1.936  -2.968
 1405TIP3    H210525   1.294  -2.020  -2.869
 1406TIP3   OH210526  -0.149  -2.174  -3.089
 1406TIP3    H110527  -0.188  -2.122  -3.161
 1406TIP3    H210528  -0.214  -2.158  -3.018
 1407TIP3   OH210529   0.603  -1.195  -3.750
 1407TIP3    H110530   0.570  -1.222  -3.836
 1407TIP3    H210531   0.555  -1.112  -3.733
 1408TIP3   OH210532   0.145  -1.384  -3.077
 1408TIP3    H110533   0.071  -1.324  -3.052
 1408TIP3    H210534   0.207  -1.322  -3.119
 1409TIP3   OH210535   0.945  -2.112  -3.469
 1409TIP3    H110536   0.899  -2.168  -3.405
 1409TIP3    H210537   0.991  -2.050  -3.410
 1410TIP3   OH210538  -0.188  -1.968  -3.295
 1410TIP3    H110539  -0.124  -1.911  -3.248
 1410TIP3    H210540  -0.131  -2.004  -3.365
 1411TIP3   OH210541  -0.057  -1.195  -3.007
 1411TIP3    H110542  -0.059  -1.101  -3.030
 1411TIP3    H210543  -0.142  -1.204  -2.960
 1412TIP3   OH210544  -0.426  -1.226  -3.919
 1412TIP3    H110545  -0.446  -1.179  -4.003
 1412TIP3    H210546  -0.409  -1.153  -3.856
 1413TIP3   OH210547   0.921  -1.082  -3.238
 1413TIP3    H110548   0.824  -1.071  -3.235
 1413TIP3    H210549   0.948  -0.996  -3.275
 1414TIP3   OH210550   0.951  -2.198  -3.087
 1414TIP3    H110551   0.876  -2.156  -3.132
 1414TIP3    H210552   1.026  -2.175  -3.146
 1415TIP3   OH210553   0.265  -2.422  -3.382
 1415TIP3    H110554   0.244  -2.517  -3.385
 1415TIP3    H210555   0.184  -2.385  -3.343
 1416TIP3   OH210556   0.750  -0.888  -3.581
 1416TIP3    H110557   0.797  -0.967  -3.613
 1416TIP3    H210558   0.818  -0.819  -3.593
 1417TIP3   OH210559   0.895  -1.100  -3.720
 1417TIP3    H110560   0.845  -1.148  -3.788
 1417TIP3    H210561   0.891  -1.164  -3.646
 1418TIP3   OH210562   1.050  -1.222  -2.871
 1418TIP3    H110563   1.039  -1.285  -2.945
 1418TIP3    H210564   1.061  -1.137  -2.918
 1419TIP3   OH210565   0.481  -1.525  -3.901
 1419TIP3    H110566   0.413  -1.471  -3.945
 1419TIP3    H210567   0.550  -1.530  -3.970
 1420TIP3   OH210568   0.526  -1.758  -4.155
 1420TIP3    H110569   0.591  -1.688  -4.137
 1420TIP3    H210570   0.521  -1.751  -4.252
 1421TIP3   OH210571   1.228  -1.601  -3.078
 1421TIP3    H110572   1.155  -1.536  -3.069
 1421TIP3    H210573   1.276  -1.565  -3.155
 1422TIP3   OH210574   0.830  -1.526  -3.793
 1422TIP3    H110575   0.758  -1.507  -3.728
 1422TIP3    H210576   0.884  -1.588  -3.742
 1423TIP3   OH210577   0.812  -1.673  -2.909
 1423TIP3    H110578   0.814  -1.590  -2.858
 1423TIP3    H210579   0.746  -1.647  -2.976
 1424TIP3   OH210580  -0.014  -1.452  -3.616
 1424TIP3    H110581  -0.044  -1.496  -3.698
 1424TIP3    H210582   0.052  -1.516  -3.582
 1425TIP3   OH210583   0.124  -1.110  -3.343
 1425TIP3    H110584   0.113  -1.152  -3.430
 1425TIP3    H210585   0.203  -1.157  -3.309
 1426TIP3   OH210586   0.045  -1.570  -3.267
 1426TIP3    H110587   0.103  -1.568  -3.345
 1426TIP3    H210588   0.086  -1.504  -3.208
 1427TIP3   OH210589   0.642  -1.020  -3.209
 1427TIP3    H110590   0.642  -0.952  -3.139
 1427TIP3    H210591   0.617  -1.102  -3.162
 1428TIP3   OH210592   0.130  -1.133  -2.781
 1428TIP3    H110593   0.078  -1.064  -2.734
 1428TIP3    H210594   0.067  -1.160  -2.850
 1429TIP3   OH210595   0.733  -1.578  -4.056
 1429TIP3    H110596   0.780  -1.555  -3.974
 1429TIP3    H210597   0.791  -1.539  -4.124
 1430TIP3   OH210598  -0.180  -1.487  -2.872
 1430TIP3    H110599  -0.171  -1.444  -2.785
 1430TIP3    H210600  -0.275  -1.510  -2.874
 1431TIP3   OH210601   0.468  -0.923  -3.696
 1431TIP3    H110602   0.517  -0.898  -3.617
 1431TIP3    H210603   0.420  -0.841  -3.718
 1432TIP3   OH210604  -0.049  -0.927  -2.688
 1432TIP3    H110605  -0.062  -0.904  -2.781
 1432TIP3    H210606  -0.139  -0.938  -2.654
 1433TIP3   OH210607   1.079  -2.409  -4.058
 1433TIP3    H110608   0.983  -2.399  -4.043
 1433TIP3    H210609   1.101  -2.324  -4.098
 1434TIP3   OH210610  -0.122  -1.577  -3.860
 1434TIP3    H110611  -0.143  -1.503  -3.920
 1434TIP3    H210612  -0.187  -1.643  -3.888
 1435TIP3   OH210613   1.180  -0.984  -4.252
 1435TIP3    H110614   1.213  -0.905  -4.205
 1435TIP3    H210615   1.253  -1.047  -4.242
 1436TIP3   OH210616  -0.515  -1.311  -2.990
 1436TIP3    H110617  -0.559  -1.312  -3.077
 1436TIP3    H210618  -0.501  -1.406  -2.973
 1437TIP3   OH210619  -0.509  -1.016  -3.298
 1437TIP3    H110620  -0.417  -1.047  -3.292
 1437TIP3    H210621  -0.514  -0.958  -3.220
 1438TIP3   OH210622   1.327  -0.957  -2.719
 1438TIP3    H110623   1.317  -1.052  -2.737
 1438TIP3    H210624   1.236  -0.934  -2.690
 1439TIP3   OH210625   0.393  -1.026  -2.839
 1439TIP3    H110626   0.401  -0.951  -2.777
 1439TIP3    H210627   0.304  -1.059  -2.816
 1440TIP3   OH210628   0.421  -0.653  -3.847
 1440TIP3    H110629   0.425  -0.643  -3.944
 1440TIP3    H210630   0.430  -0.562  -3.815
 1441TIP3   OH210631  -0.199  -0.739  -3.680
 1441TIP3    H110632  -0.179  -0.783  -3.594
 1441TIP3    H210633  -0.283  -0.782  -3.702
 1442TIP3   OH210634   0.747  -0.691  -4.135
 1442TIP3    H110635   0.791  -0.749  -4.201
 1442TIP3    H210636   0.750  -0.746  -4.055
 1443TIP3   OH210637   0.696  -0.764  -3.860
 1443TIP3    H110638   0.602  -0.751  -3.839
 1443TIP3    H210639   0.719  -0.835  -3.798
 1444TIP3   OH210640   1.006  -1.821  -2.678
 1444TIP3    H110641   0.959  -1.782  -2.753
 1444TIP3    H210642   1.007  -1.916  -2.704
 1445TIP3   OH210643  -0.298  -1.158  -2.857
 1445TIP3    H110644  -0.264  -1.210  -2.782
 1445TIP3    H210645  -0.367  -1.215  -2.896
 1446TIP3   OH210646   0.024  -2.310  -3.289
 1446TIP3    H110647  -0.059  -2.315  -3.340
 1446TIP3    H210648   0.003  -2.235  -3.230
 1447TIP3   OH210649   0.461  -2.352  -2.925
 1447TIP3    H110650   0.514  -2.403  -2.861
 1447TIP3    H210651   0.370  -2.386  -2.911
 1448TIP3   OH210652   0.771  -1.969  -2.878
 1448TIP3    H110653   0.716  -1.987  -2.799
 1448TIP3    H210654   0.769  -1.872  -2.886
 1449TIP3   OH210655   0.961  -1.503  -4.261
 1449TIP3    H110656   0.901  -1.515  -4.337
 1449TIP3    H210657   0.992  -1.413  -4.277
 1450TIP3   OH210658   0.447  -2.121  -4.217
 1450TIP3    H110659   0.390  -2.100  -4.142
 1450TIP3    H210660   0.394  -2.185  -4.265
 1451TIP3   OH210661   0.008  -1.830  -3.150
 1451TIP3    H110662  -0.044  -1.817  -3.069
 1451TIP3    H210663   0.017  -1.739  -3.184
 1452TIP3   OH210664   0.004  -1.822  -3.660
 1452TIP3    H110665  -0.091  -1.832  -3.677
 1452TIP3    H210666   0.040  -1.841  -3.750
 1453TIP3   OH210667   0.572  -1.767  -3.786
 1453TIP3    H110668   0.531  -1.686  -3.821
 1453TIP3    H210669   0.632  -1.791  -3.859
 1454TIP3   OH210670   0.486  -1.750  -2.652
 1454TIP3    H110671   0.432  -1.822  -2.614
 1454TIP3    H210672   0.572  -1.763  -2.608
 1455TIP3   OH210673   0.650  -1.827  -3.506
 1455TIP3    H110674   0.622  -1.769  -3.581
 1455TIP3    H210675   0.671  -1.908  -3.556
 1456TIP3   OH210676  -0.261  -1.811  -2.962
 1456TIP3    H110677  -0.223  -1.785  -2.878
 1456TIP3    H210678  -0.291  -1.902  -2.943
 1457TIP3   OH210679   0.112  -2.081  -4.317
 1457TIP3    H110680   0.081  -2.100  -4.226
 1457TIP3    H210681   0.040  -2.023  -4.349
 1458TIP3   OH210682  -0.572  -2.066  -3.600
 1458TIP3    H110683  -0.510  -2.069  -3.525
 1458TIP3    H210684  -0.521  -2.105  -3.673
 1459TIP3   OH210685  -0.414  -2.024  -4.038
 1459TIP3    H110686  -0.358  -1.975  -4.102
 1459TIP3    H210687  -0.481  -1.957  -4.017
 1460TIP3   OH210688   0.561  -1.658  -3.057
 1460TIP3    H110689   0.604  -1.731  -3.108
 1460TIP3    H210690   0.527  -1.707  -2.980
 1461TIP3   OH210691   0.281  -2.065  -3.557
 1461TIP3    H110692   0.186  -2.067  -3.534
 1461TIP3    H210693   0.322  -2.082  -3.471
 1462TIP3   OH210694  -0.263  -1.941  -3.689
 1462TIP3    H110695  -0.344  -1.914  -3.736
 1462TIP3    H210696  -0.233  -2.020  -3.739
 1463TIP3   OH210697   0.098  -1.899  -3.921
 1463TIP3    H110698   0.196  -1.898  -3.917
 1463TIP3    H210699   0.079  -1.843  -3.999
 1464TIP3   OH210700   0.719  -2.148  -3.257
 1464TIP3    H110701   0.657  -2.148  -3.181
 1464TIP3    H210702   0.660  -2.182  -3.327
 1465TIP3   OH210703  -0.048  -1.786  -4.159
 1465TIP3    H110704  -0.103  -1.840  -4.217
 1465TIP3    H210705   0.032  -1.769  -4.212
 1466TIP3   OH210706   1.023  -0.568  -2.584
 1466TIP3    H110707   1.040  -0.527  -2.671
 1466TIP3    H210708   1.100  -0.536  -2.533
 1467TIP3   OH210709  -0.172  -1.306  -2.626
 1467TIP3    H110710  -0.109  -1.288  -2.554
 1467TIP3    H210711  -0.255  -1.312  -2.576
 1468TIP3   OH210712   0.382  -1.809  -3.375
 1468TIP3    H110713   0.456  -1.851  -3.421
 1468TIP3    H210714   0.367  -1.870  -3.300
 1469TIP3   OH210715  -0.087  -2.166  -3.762
 1469TIP3    H110716  -0.140  -2.246  -3.747
 1469TIP3    H210717  -0.004  -2.203  -3.796
 1470TIP3   OH210718   0.279  -1.963  -3.150
 1470TIP3    H110719   0.202  -1.904  -3.148
 1470TIP3    H210720   0.328  -1.938  -3.070
 1471TIP3   OH210721   0.290  -1.319  -3.962
 1471TIP3    H110722   0.216  -1.374  -3.996
 1471TIP3    H210723   0.275  -1.320  -3.864
 1472TIP3   OH210724   1.017  -1.408  -3.086
 1472TIP3    H110725   1.065  -1.355  -3.152
 1472TIP3    H210726   0.931  -1.421  -3.131
 1473TIP3   OH210727   0.707  -2.056  -4.175
 1473TIP3    H110728   0.610  -2.051  -4.189
 1473TIP3    H210729   0.727  -1.967  -4.138
 1474TIP3   OH210730   0.453  -1.323  -2.824
 1474TIP3    H110731   0.422  -1.355  -2.738
 1474TIP3    H210732   0.422  -1.232  -2.823
 1475TIP3   OH210733   0.771  -1.862  -3.978
 1475TIP3    H110734   0.863  -1.874  -3.947
 1475TIP3    H210735   0.777  -1.781  -4.032
 1476TIP3   OH210736  -0.193  -1.385  -3.379
 1476TIP3    H110737  -0.136  -1.396  -3.457
 1476TIP3    H210738  -0.181  -1.470  -3.334
 1477TIP3   OH210739   0.538  -1.189  -4.069
 1477TIP3    H110740   0.508  -1.102  -4.036
 1477TIP3    H210741   0.463  -1.246  -4.042
 1478TIP3   OH210742  -0.467  -1.557  -2.850
 1478TIP3    H110743  -0.451  -1.602  -2.764
 1478TIP3    H210744  -0.526  -1.619  -2.895
 1479TIP3   OH210745   0.230  -1.609  -2.653
 1479TIP3    H110746   0.202  -1.632  -2.743
 1479TIP3    H210747   0.325  -1.630  -2.658
 1480TIP3   OH210748   0.685  -1.062  -2.875
 1480TIP3    H110749   0.588  -1.053  -2.884
 1480TIP3    H210750   0.697  -1.038  -2.781
 1481TIP3   OH210751   1.244  -1.852  -3.999
 1481TIP3    H110752   1.181  -1.870  -4.071
 1481TIP3    H210753   1.255  -1.757  -4.016
 1482TIP3   OH210754   1.282  -1.251  -2.722
 1482TIP3    H110755   1.188  -1.235  -2.743
 1482TIP3    H210756   1.317  -1.274  -2.810
 1483TIP3   OH210757   1.068  -0.996  -3.990
 1483TIP3    H110758   1.033  -1.071  -3.940
 1483TIP3    H210759   1.096  -1.037  -4.073
 1484TIP3   OH210760   0.782  -1.465  -3.256
 1484TIP3    H110761   0.688  -1.480  -3.280
 1484TIP3    H210762   0.825  -1.537  -3.306
 1485TIP3   OH210763   0.045  -1.058  -3.654
 1485TIP3    H110764   0.088  -0.971  -3.665
 1485TIP3    H210765  -0.047  -1.037  -3.675
 1486TIP3   OH210766  -0.348  -1.565  -4.201
 1486TIP3    H110767  -0.292  -1.502  -4.153
 1486TIP3    H210768  -0.437  -1.545  -4.166
 1487TIP3   OH210769   0.229  -1.287  -3.688
 1487TIP3    H110770   0.197  -1.196  -3.676
 1487TIP3    H210771   0.158  -1.338  -3.646
 1488TIP3   OH210772   0.244  -0.862  -3.056
 1488TIP3    H110773   0.301  -0.787  -3.082
 1488TIP3    H210774   0.304  -0.912  -2.998
 1489TIP3   OH210775   0.089  -0.766  -3.736
 1489TIP3    H110776  -0.006  -0.753  -3.724
 1489TIP3    H210777   0.125  -0.680  -3.707
 1490TIP3   OH210778   0.586  -1.286  -3.097
 1490TIP3    H110779   0.556  -1.314  -3.009
 1490TIP3    H210780   0.658  -1.347  -3.115
 1491TIP3   OH210781   0.807  -1.154  -4.192
 1491TIP3    H110782   0.849  -1.204  -4.120
 1491TIP3    H210783   0.714  -1.166  -4.168
 1492TIP3   OH210784   0.881  -0.828  -2.858
 1492TIP3    H110785   0.805  -0.875  -2.896
 1492TIP3    H210786   0.887  -0.749  -2.914
 1493TIP3   OH210787   1.292  -0.713  -4.159
 1493TIP3    H110788   1.361  -0.645  -4.145
 1493TIP3    H210789   1.212  -0.662  -4.136
 1494TIP3   OH210790  -0.335  -2.093  -2.892
 1494TIP3    H110791  -0.426  -2.067  -2.915
 1494TIP3    H210792  -0.350  -2.179  -2.849
 1495TIP3   OH210793   0.901  -1.295  -3.968
 1495TIP3    H110794   0.872  -1.367  -3.908
 1495TIP3    H210795   0.998  -1.301  -3.958
 1496TIP3   OH210796  -0.358  -0.919  -3.050
 1496TIP3    H110797  -0.328  -1.009  -3.033
 1496TIP3    H210798  -0.336  -0.877  -2.966
 1497TIP3   OH210799   0.253  -1.053  -4.324
 1497TIP3    H110800   0.295  -1.135  -4.359
 1497TIP3    H210801   0.197  -1.089  -4.254
 1498TIP3   OH210802   0.100  -1.100  -4.069
 1498TIP3    H110803   0.159  -1.155  -4.016
 1498TIP3    H210804   0.129  -1.009  -4.047
 1499TIP3   OH210805  -0.210  -1.363  -4.040
 1499TIP3    H110806  -0.281  -1.320  -3.988
 1499TIP3    H210807  -0.157  -1.286  -4.065
 1500TIP3   OH210808   0.562  -2.110  -3.037
 1500TIP3    H110809   0.623  -2.080  -2.968
 1500TIP3    H210810   0.514  -2.183  -2.994
 1501TIP3   OH210811   0.621  -2.157  -3.919
 1501TIP3    H110812   0.645  -2.110  -4.001
 1501TIP3    H210813   0.672  -2.108  -3.853
 1502TIP3   OH210814   0.402  -0.940  -4.027
 1502TIP3    H110815   0.325  -0.887  -4.002
 1502TIP3    H210816   0.454  -0.876  -4.077
 1503TIP3   OH210817   0.364  -1.964  -3.815
 1503TIP3    H110818   0.443  -1.908  -3.806
 1503TIP3    H210819   0.338  -1.979  -3.722
 1504TIP3   OH210820   0.403  -1.875  -2.901
 1504TIP3    H110821   0.407  -1.823  -2.819
 1504TIP3    H210822   0.457  -1.952  -2.877
 1505TIP3   OH210823   0.429  -2.261  -3.725
 1505TIP3    H110824   0.409  -2.192  -3.659
 1505TIP3    H210825   0.501  -2.218  -3.776
 1506TIP3   OH210826   0.120  -0.820  -4.025
 1506TIP3    H110827   0.127  -0.733  -4.071
 1506TIP3    H210828   0.110  -0.793  -3.932
 1507TIP3   OH210829   0.000  -2.154  -4.078
 1507TIP3    H110830  -0.006  -2.083  -4.013
 1507TIP3    H210831   0.077  -2.204  -4.043
 1508TIP3   OH210832   1.020  -2.073  -2.799
 1508TIP3    H110833   0.928  -2.064  -2.832
 1508TIP3    H210834   1.065  -2.092  -2.883
 1509TIP3   OH210835   0.882  -1.689  -3.409
 1509TIP3    H110836   0.799  -1.734  -3.435
 1509TIP3    H210837   0.930  -1.760  -3.361
 1510TIP3   OH210838  -0.167  -1.064  -4.159
 1510TIP3    H110839  -0.085  -1.038  -4.113
 1510TIP3    H210840  -0.127  -1.119  -4.229
 1511TIP3   OH210841  -0.343  -1.848  -4.254
 1511TIP3    H110842  -0.327  -1.753  -4.239
 1511TIP3    H210843  -0.434  -1.849  -4.288
 1512TIP3   OH210844   0.984  -0.804  -3.271
 1512TIP3    H110845   0.967  -0.721  -3.320
 1512TIP3    H210846   1.076  -0.789  -3.244
 1513TIP3   OH210847  -0.254  -2.353  -3.371
 1513TIP3    H110848  -0.273  -2.354  -3.467
 1513TIP3    H210849  -0.290  -2.438  -3.341
 1514TIP3   OH210850  -0.368  -1.001  -3.747
 1514TIP3    H110851  -0.446  -0.948  -3.725
 1514TIP3    H210852  -0.327  -0.950  -3.818
 1515TIP3   OH210853  -0.425  -0.716  -2.628
 1515TIP3    H110854  -0.368  -0.751  -2.559
 1515TIP3    H210855  -0.466  -0.799  -2.660
 1516TIP3   OH210856   0.465  -0.871  -4.332
 1516TIP3    H110857   0.386  -0.928  -4.325
 1516TIP3    H210858   0.532  -0.939  -4.350
 1517TIP3   OH210859   0.688  -0.979  -2.597
 1517TIP3    H110860   0.637  -1.047  -2.549
 1517TIP3    H210861   0.746  -0.946  -2.526
 1518TIP3   OH210862   0.852  -0.895  -4.288
 1518TIP3    H110863   0.869  -0.980  -4.246
 1518TIP3    H210864   0.939  -0.864  -4.317
 1519TIP3   OH210865  -0.426  -1.342  -2.515
 1519TIP3    H110866  -0.418  -1.435  -2.541
 1519TIP3    H210867  -0.505  -1.316  -2.566
 1520TIP3   OH210868  -0.004  -1.287  -4.306
 1520TIP3    H110869   0.005  -1.362  -4.246
 1520TIP3    H210870   0.057  -1.311  -4.377
 1521TIP3   OH210871   0.246  -1.320  -2.579
 1521TIP3    H110872   0.189  -1.294  -2.652
 1521TIP3    H210873   0.235  -1.417  -2.578
 1522TIP3   OH210874   0.533  -1.183  -4.346
 1522TIP3    H110875   0.539  -1.184  -4.249
 1522TIP3    H210876   0.589  -1.257  -4.373
 1523TIP3   OH210877   0.770  -1.368  -2.843
 1523TIP3    H110878   0.847  -1.313  -2.862
 1523TIP3    H210879   0.699  -1.302  -2.842
 1524TIP3   OH210880  -0.343  -1.630  -2.596
 1524TIP3    H110881  -0.272  -1.697  -2.597
 1524TIP3    H210882  -0.347  -1.613  -2.501
 1525TIP3   OH210883   0.098  -1.500  -4.089
 1525TIP3    H110884   0.039  -1.549  -4.030
 1525TIP3    H210885   0.135  -1.571  -4.143
 1526TIP3   OH210886   0.017  -1.724  -2.863
 1526TIP3    H110887  -0.027  -1.644  -2.830
 1526TIP3    H210888   0.088  -1.686  -2.918
 1527TIP3   OH210889   0.196  -1.702  -4.267
 1527TIP3    H110890   0.203  -1.712  -4.363
 1527TIP3    H210891   0.292  -1.689  -4.252
 1528TIP3   OH210892   0.541  -1.467  -2.506
 1528TIP3    H110893   0.631  -1.478  -2.539
 1528TIP3    H210894   0.525  -1.549  -2.458
 1529TIP3   OH210895   0.081  -1.993  -2.743
 1529TIP3    H110896   0.089  -2.059  -2.814
 1529TIP3    H210897   0.060  -1.913  -2.793
 1530TIP3   OH210898   0.114  -2.147  -2.998
 1530TIP3    H110899   0.167  -2.094  -3.061
 1530TIP3    H210900   0.024  -2.142  -3.034
 1531TIP3   OH210901   0.267  -1.603  -2.957
 1531TIP3    H110902   0.351  -1.612  -3.003
 1531TIP3    H210903   0.238  -1.515  -2.986
 1532TIP3   OH210904   0.732  -1.806  -2.469
 1532TIP3    H110905   0.749  -1.901  -2.468
 1532TIP3    H210906   0.820  -1.771  -2.489
 1533TIP3   OH210907   0.824  -1.528  -2.624
 1533TIP3    H110908   0.791  -1.468  -2.694
 1533TIP3    H210909   0.914  -1.546  -2.659
 1534TIP3   OH210910  -0.101  -1.806  -2.567
 1534TIP3    H110911  -0.153  -1.888  -2.560
 1534TIP3    H210912  -0.018  -1.837  -2.605
 1535TIP3   OH210913   0.185  -2.414  -2.961
 1535TIP3    H110914   0.170  -2.319  -2.977
 1535TIP3    H210915   0.116  -2.455  -3.015
 1536TIP3   OH210916   0.312  -1.957  -2.581
 1536TIP3    H110917   0.276  -1.979  -2.493
 1536TIP3    H210918   0.233  -1.975  -2.636
 1537TIP3   OH210919   0.567  -2.053  -2.695
 1537TIP3    H110920   0.479  -2.049  -2.654
 1537TIP3    H210921   0.613  -2.116  -2.638
 1538TIP3   OH210922   0.746  -2.202  -2.524
 1538TIP3    H110923   0.737  -2.298  -2.509
 1538TIP3    H210924   0.734  -2.164  -2.435
 1539TIP3   OH210925  -0.233  -2.063  -2.577
 1539TIP3    H110926  -0.239  -2.133  -2.643
 1539TIP3    H210927  -0.254  -2.111  -2.495
 1540TIP3   OH210928   0.169  -2.466  -2.680
 1540TIP3    H110929   0.231  -2.541  -2.674
 1540TIP3    H210930   0.168  -2.450  -2.776
 1541TIP3   OH210931   0.264  -2.279  -2.494
 1541TIP3    H110932   0.234  -2.337  -2.567
 1541TIP3    H210933   0.196  -2.210  -2.492
 1542TIP3   OH210934   0.177  -0.572  -4.171
 1542TIP3    H110935   0.273  -0.561  -4.161
 1542TIP3    H210936   0.156  -0.512  -4.245
 1543TIP3   OH210937  -0.441  -1.161  -4.203
 1543TIP3    H110938  -0.348  -1.132  -4.196
 1543TIP3    H210939  -0.436  -1.227  -4.274
 1544TIP3   OH210940  -0.535  -0.616  -3.720
 1544TIP3    H110941  -0.607  -0.652  -3.775
 1544TIP3    H210942  -0.528  -0.683  -3.649
 1545TIP3   OH210943  -0.498  -0.813  -3.520
 1545TIP3    H110944  -0.528  -0.900  -3.489
 1545TIP3    H210945  -0.463  -0.778  -3.437
 1546TIP3   OH210946   1.256  -0.686  -3.220
 1546TIP3    H110947   1.271  -0.688  -3.124
 1546TIP3    H210948   1.342  -0.657  -3.252
 1547TIP3   OH210949   1.245  -0.742  -2.932
 1547TIP3    H110950   1.194  -0.818  -2.967
 1547TIP3    H210951   1.301  -0.787  -2.867
 1548TIP3   OH210952   1.046  -1.200  -2.495
 1548TIP3    H110953   0.958  -1.191  -2.453
 1548TIP3    H210954   1.089  -1.116  -2.472
 1549TIP3   OH210955   1.185  -1.315  -3.931
 1549TIP3    H110956   1.275  -1.280  -3.918
 1549TIP3    H210957   1.181  -1.380  -3.858
 1550TIP3   OH210958   1.229  -1.519  -3.735
 1550TIP3    H110959   1.159  -1.572  -3.693
 1550TIP3    H210960   1.292  -1.504  -3.661
 1551TIP3   OH210961   1.204  -1.266  -3.235
 1551TIP3    H110962   1.270  -1.311  -3.290
 1551TIP3    H210963   1.214  -1.174  -3.265
 1552TIP3   OH210964   1.075  -0.972  -3.009
 1552TIP3    H110965   1.002  -0.931  -2.959
 1552TIP3    H210966   1.028  -1.008  -3.087
 1553TIP3   OH210967   1.262  -1.546  -4.107
 1553TIP3    H110968   1.198  -1.523  -4.176
 1553TIP3    H210969   1.240  -1.480  -4.040
 1554TIP3   OH210970   1.083  -1.810  -4.213
 1554TIP3    H110971   1.107  -1.734  -4.269
 1554TIP3    H210972   1.114  -1.884  -4.266
 1555TIP3   OH210973   1.029  -1.701  -3.648
 1555TIP3    H110974   1.015  -1.795  -3.668
 1555TIP3    H210975   0.986  -1.692  -3.560
 1556TIP3   OH210976  -0.491  -1.479  -3.280
 1556TIP3    H110977  -0.465  -1.474  -3.373
 1556TIP3    H210978  -0.404  -1.500  -3.239
 1557TIP3   OH210979   1.098  -1.516  -2.714
 1557TIP3    H110980   1.173  -1.577  -2.723
 1557TIP3    H210981   1.134  -1.435  -2.750
 1558TIP3   OH210982   1.265  -1.748  -2.608
 1558TIP3    H110983   1.180  -1.781  -2.644
 1558TIP3    H210984   1.330  -1.807  -2.648
 1559TIP3   OH210985   1.007  -2.156  -4.340
 1559TIP3    H110986   1.057  -2.139  -4.260
 1559TIP3    H210987   0.914  -2.160  -4.311
 1560TIP3   OH210988   1.008  -1.945  -3.832
 1560TIP3    H110989   1.031  -2.041  -3.828
 1560TIP3    H210990   1.089  -1.909  -3.873
 1561TIP3   OH210991   1.035  -1.888  -3.288
 1561TIP3    H110992   1.132  -1.879  -3.288
 1561TIP3    H210993   1.018  -1.890  -3.192
 1562TIP3   OH210994   1.050  -1.818  -3.002
 1562TIP3    H110995   0.964  -1.778  -2.980
 1562TIP3    H210996   1.104  -1.740  -3.027
 1563TIP3   OH210997  -0.500  -1.944  -2.645
 1563TIP3    H110998  -0.406  -1.967  -2.633
 1563TIP3    H210999  -0.543  -2.030  -2.632
 1564TIP3   OH211000   1.297  -2.396  -2.488
 1564TIP3    H111001   1.343  -2.463  -2.541
 1564TIP3    H211002   1.310  -2.315  -2.541
 1565TIP3   OH211003   1.057  -2.219  -3.826
 1565TIP3    H111004   1.066  -2.260  -3.738
 1565TIP3    H211005   0.983  -2.271  -3.863
 1566TIP3   OH211006  -0.423  -2.110  -3.359
 1566TIP3    H111007  -0.376  -2.195  -3.352
 1566TIP3    H211008  -0.354  -2.049  -3.325
 1567TIP3   OH211009  -0.569  -1.842  -3.255
 1567TIP3    H111010  -0.510  -1.846  -3.333
 1567TIP3    H211011  -0.531  -1.766  -3.209
 1568TIP3   OH211012   1.266  -2.176  -2.646
 1568TIP3    H111013   1.177  -2.138  -2.646
 1568TIP3    H211014   1.267  -2.224  -2.730
 1569TIP3   OH211015   1.262  -2.183  -4.171
 1569TIP3    H111016   1.281  -2.253  -4.234
 1569TIP3    H211017   1.344  -2.132  -4.172
 1570TIP3   OH211018  -0.519  -2.208  -3.852
 1570TIP3    H111019  -0.614  -2.206  -3.872
 1570TIP3    H211020  -0.481  -2.148  -3.920
 1571TIP3   OH211021   0.942  -0.683  -3.642
 1571TIP3    H111022   0.992  -0.710  -3.721
 1571TIP3    H211023   1.012  -0.645  -3.586
 1572TIP3   OH211024  -0.515  -2.321  -3.035
 1572TIP3    H111025  -0.585  -2.346  -2.974
 1572TIP3    H211026  -0.564  -2.267  -3.100
 1573TIP3   OH211027  -0.314  -0.996  -2.560
 1573TIP3    H111028  -0.375  -1.015  -2.633
 1573TIP3    H211029  -0.365  -1.026  -2.483
 1574TIP3   OH211030  -0.032  -0.911  -2.993
 1574TIP3    H111031  -0.062  -0.826  -3.029
 1574TIP3    H211032   0.064  -0.903  -3.011
 1575TIP3   OH211033   0.422  -0.790  -2.668
 1575TIP3    H111034   0.443  -0.814  -2.577
 1575TIP3    H211035   0.503  -0.745  -2.696
 1576TIP3   OH211036   0.643  -0.642  -2.768
 1576TIP3    H111037   0.711  -0.707  -2.791
 1576TIP3    H211038   0.674  -0.611  -2.681
 1577TIP3   OH211039   1.134  -2.375  -2.849
 1577TIP3    H111040   1.056  -2.352  -2.901
 1577TIP3    H211041   1.158  -2.463  -2.884
 1578TIP3   OH211042  -0.295  -0.619  -2.968
 1578TIP3    H111043  -0.354  -0.553  -3.010
 1578TIP3    H211044  -0.324  -0.610  -2.876
 1579TIP3   OH211045  -0.046  -0.643  -3.112
 1579TIP3    H111046  -0.130  -0.623  -3.068
 1579TIP3    H211047  -0.041  -0.572  -3.179
 1580TIP3   OH211048   0.431  -0.640  -3.156
 1580TIP3    H111049   0.392  -0.594  -3.232
 1580TIP3    H211050   0.437  -0.567  -3.091
 1581TIP3   OH211051   0.664  -0.768  -3.064
 1581TIP3    H111052   0.579  -0.733  -3.096
 1581TIP3    H211053   0.719  -0.688  -3.065
 1582TIP3   OH211054   0.917  -0.594  -3.044
 1582TIP3    H111055   0.911  -0.499  -3.067
 1582TIP3    H211056   0.944  -0.632  -3.130
 1583TIP3   OH211057  -0.337  -0.738  -3.273
 1583TIP3    H111058  -0.338  -0.785  -3.186
 1583TIP3    H211059  -0.260  -0.781  -3.314
 1584TIP3   OH211060  -0.133  -0.862  -3.430
 1584TIP3    H111061  -0.149  -0.954  -3.402
 1584TIP3    H211062  -0.043  -0.847  -3.396
 1585TIP3   OH211063   0.141  -0.816  -3.340
 1585TIP3    H111064   0.160  -0.910  -3.361
 1585TIP3    H211065   0.149  -0.818  -3.243
 1586TIP3   OH211066   0.475  -2.227  -3.408
 1586TIP3    H111067   0.405  -2.295  -3.395
 1586TIP3    H211068   0.535  -2.272  -3.470
 1587TIP3   OH211069   0.970  -2.427  -3.364
 1587TIP3    H111070   1.045  -2.380  -3.403
 1587TIP3    H211071   0.895  -2.394  -3.417
 1588TIP3   OH211072   1.179  -2.316  -3.575
 1588TIP3    H111073   1.249  -2.356  -3.629
 1588TIP3    H211074   1.206  -2.224  -3.567
 1589TIP3   OH211075  -0.290  -2.355  -3.652
 1589TIP3    H111076  -0.376  -2.367  -3.697
 1589TIP3    H211077  -0.248  -2.441  -3.669
 1590TIP3   OH211078  -0.410  -2.399  -4.081
 1590TIP3    H111079  -0.351  -2.335  -4.126
 1590TIP3    H211080  -0.444  -2.345  -4.007
 1591TIP3   OH211081   0.157  -2.376  -3.664
 1591TIP3    H111082   0.245  -2.340  -3.681
 1591TIP3    H211083   0.157  -2.382  -3.568
 1592TIP3   OH211084   0.718  -2.368  -3.523
 1592TIP3    H111085   0.741  -2.381  -3.616
 1592TIP3    H211086   0.679  -2.454  -3.500
 1593TIP3   OH211087   0.826  -2.361  -3.914
 1593TIP3    H111088   0.747  -2.312  -3.944
 1593TIP3    H211089   0.794  -2.452  -3.924
 1594TIP3   OH211090  -0.403  -0.810  -3.966
 1594TIP3    H111091  -0.475  -0.811  -4.032
 1594TIP3    H211092  -0.404  -0.717  -3.940
 1595TIP3   OH211093  -0.243  -2.230  -4.228
 1595TIP3    H111094  -0.186  -2.284  -4.284
 1595TIP3    H211095  -0.178  -2.177  -4.180
 1596TIP3   OH211096   0.263  -2.211  -3.955
 1596TIP3    H111097   0.309  -2.262  -3.887
 1596TIP3    H211098   0.294  -2.122  -3.931
 1597TIP3   OH211099   0.473  -0.645  -4.148
 1597TIP3    H111100   0.571  -0.634  -4.150
 1597TIP3    H211101   0.464  -0.709  -4.221
 1598TIP3   OH211102   1.137  -0.727  -3.884
 1598TIP3    H111103   1.108  -0.811  -3.925
 1598TIP3    H211104   1.114  -0.662  -3.953
 1599TIP3   OH211105  -0.311  -2.333  -2.702
 1599TIP3    H111106  -0.350  -2.414  -2.664
 1599TIP3    H211107  -0.218  -2.343  -2.674
 1600TIP3   OH211108  -0.073  -2.394  -2.529
 1600TIP3    H111109   0.010  -2.427  -2.568
 1600TIP3    H211110  -0.105  -2.474  -2.485
 1601TIP3   OH211111  -0.204  -0.702  -4.231
 1601TIP3    H111112  -0.243  -0.681  -4.146
 1601TIP3    H211113  -0.137  -0.768  -4.209
 1602TIP3   OH211114   0.741  -2.482  -2.510
 1602TIP3    H111115   0.744  -2.524  -2.422
 1602TIP3    H211116   0.835  -2.486  -2.536
 1603TIP3   OH211117   1.074  -0.851  -2.638
 1603TIP3    H111118   1.001  -0.869  -2.700
 1603TIP3    H211119   1.059  -0.757  -2.619
 1604TIP3   OH211120   2.494  -1.482  -3.627
 1604TIP3    H111121   2.496  -1.385  -3.619
 1604TIP3    H211122   2.422  -1.493  -3.691
 1605TIP3   OH211123   2.380  -1.534  -3.320
 1605TIP3    H111124   2.385  -1.588  -3.239
 1605TIP3    H211125   2.361  -1.601  -3.387
 1606TIP3   OH211126   1.633  -1.596  -3.152
 1606TIP3    H111127   1.622  -1.672  -3.088
 1606TIP3    H211128   1.690  -1.540  -3.097
 1607TIP3   OH211129   2.750  -1.252  -3.478
 1607TIP3    H111130   2.719  -1.326  -3.425
 1607TIP3    H211131   2.783  -1.192  -3.410
 1608TIP3   OH211132   1.696  -1.118  -3.311
 1608TIP3    H111133   1.669  -1.208  -3.334
 1608TIP3    H211134   1.786  -1.132  -3.278
 1609TIP3   OH211135   1.404  -1.767  -3.758
 1609TIP3    H111136   1.350  -1.686  -3.753
 1609TIP3    H211137   1.340  -1.829  -3.796
 1610TIP3   OH211138   1.455  -1.528  -3.568
 1610TIP3    H111139   1.484  -1.611  -3.526
 1610TIP3    H211140   1.537  -1.493  -3.606
 1611TIP3   OH211141   2.455  -0.727  -3.432
 1611TIP3    H111142   2.513  -0.798  -3.464
 1611TIP3    H211143   2.429  -0.760  -3.345
 1612TIP3   OH211144   2.233  -1.287  -3.265
 1612TIP3    H111145   2.270  -1.359  -3.319
 1612TIP3    H211146   2.312  -1.268  -3.211
 1613TIP3   OH211147   3.075  -2.143  -3.184
 1613TIP3    H111148   3.116  -2.080  -3.123
 1613TIP3    H211149   3.128  -2.128  -3.264
 1614TIP3   OH211150   2.563  -1.853  -3.213
 1614TIP3    H111151   2.572  -1.949  -3.206
 1614TIP3    H211152   2.552  -1.841  -3.309
 1615TIP3   OH211153   1.861  -2.038  -3.515
 1615TIP3    H111154   1.855  -1.964  -3.576
 1615TIP3    H211155   1.831  -2.109  -3.575
 1616TIP3   OH211156   2.641  -2.034  -3.673
 1616TIP3    H111157   2.699  -2.078  -3.607
 1616TIP3    H211158   2.707  -1.992  -3.730
 1617TIP3   OH211159   1.560  -1.770  -3.474
 1617TIP3    H111160   1.593  -1.824  -3.399
 1617TIP3    H211161   1.516  -1.837  -3.529
 1618TIP3   OH211162   2.018  -1.665  -3.543
 1618TIP3    H111163   2.108  -1.670  -3.506
 1618TIP3    H211164   2.001  -1.758  -3.552
 1619TIP3   OH211165   3.120  -2.015  -2.928
 1619TIP3    H111166   3.115  -1.926  -2.968
 1619TIP3    H211167   3.168  -1.997  -2.845
 1620TIP3   OH211168   1.719  -2.161  -3.067
 1620TIP3    H111169   1.681  -2.110  -3.140
 1620TIP3    H211170   1.657  -2.139  -2.996
 1621TIP3   OH211171   2.477  -1.203  -3.748
 1621TIP3    H111172   2.462  -1.215  -3.842
 1621TIP3    H211173   2.443  -1.113  -3.732
 1622TIP3   OH211174   2.029  -1.385  -3.079
 1622TIP3    H111175   1.956  -1.326  -3.050
 1622TIP3    H211176   2.092  -1.321  -3.118
 1623TIP3   OH211177   2.823  -2.109  -3.469
 1623TIP3    H111178   2.791  -2.172  -3.403
 1623TIP3    H211179   2.878  -2.050  -3.415
 1624TIP3   OH211180   1.695  -1.967  -3.300
 1624TIP3    H111181   1.754  -1.916  -3.240
 1624TIP3    H211182   1.760  -2.004  -3.363
 1625TIP3   OH211183   1.828  -1.197  -3.011
 1625TIP3    H111184   1.825  -1.101  -3.030
 1625TIP3    H211185   1.745  -1.208  -2.962
 1626TIP3   OH211186   1.460  -1.228  -3.918
 1626TIP3    H111187   1.444  -1.189  -4.006
 1626TIP3    H211188   1.475  -1.151  -3.861
 1627TIP3   OH211189   2.811  -1.089  -3.219
 1627TIP3    H111190   2.717  -1.065  -3.222
 1627TIP3    H211191   2.853  -1.003  -3.239
 1628TIP3   OH211192   2.148  -2.421  -3.380
 1628TIP3    H111193   2.126  -2.516  -3.383
 1628TIP3    H211194   2.068  -2.383  -3.339
 1629TIP3   OH211195   2.635  -0.886  -3.584
 1629TIP3    H111196   2.683  -0.967  -3.613
 1629TIP3    H211197   2.704  -0.819  -3.593
 1630TIP3   OH211198   2.777  -1.098  -3.717
 1630TIP3    H111199   2.737  -1.151  -3.788
 1630TIP3    H211200   2.777  -1.161  -3.643
 1631TIP3   OH211201   2.365  -1.530  -3.904
 1631TIP3    H111202   2.299  -1.470  -3.942
 1631TIP3    H211203   2.438  -1.522  -3.968
 1632TIP3   OH211204   2.382  -1.708  -4.205
 1632TIP3    H111205   2.451  -1.675  -4.144
 1632TIP3    H211206   2.435  -1.768  -4.261
 1633TIP3   OH211207   3.099  -1.602  -3.075
 1633TIP3    H111208   3.034  -1.529  -3.065
 1633TIP3    H211209   3.151  -1.568  -3.150
 1634TIP3   OH211210   2.711  -1.531  -3.794
 1634TIP3    H111211   2.645  -1.510  -3.725
 1634TIP3    H211212   2.774  -1.585  -3.743
 1635TIP3   OH211213   2.702  -1.701  -2.901
 1635TIP3    H111214   2.686  -1.637  -2.830
 1635TIP3    H211215   2.635  -1.673  -2.966
 1636TIP3   OH211216   2.005  -1.118  -3.342
 1636TIP3    H111217   2.008  -1.146  -3.434
 1636TIP3    H211218   2.087  -1.157  -3.306
 1637TIP3   OH211219   1.927  -1.556  -3.277
 1637TIP3    H111220   2.000  -1.563  -3.341
 1637TIP3    H211221   1.967  -1.507  -3.203
 1638TIP3   OH211222   2.522  -1.018  -3.211
 1638TIP3    H111223   2.530  -0.950  -3.142
 1638TIP3    H211224   2.507  -1.101  -3.161
 1639TIP3   OH211225   2.016  -1.138  -2.786
 1639TIP3    H111226   1.966  -1.073  -2.732
 1639TIP3    H211227   1.949  -1.165  -2.851
 1640TIP3   OH211228   2.620  -1.582  -4.057
 1640TIP3    H111229   2.663  -1.557  -3.973
 1640TIP3    H211230   2.681  -1.541  -4.122
 1641TIP3   OH211231   1.698  -1.479  -2.887
 1641TIP3    H111232   1.710  -1.444  -2.798
 1641TIP3    H211233   1.616  -1.530  -2.878
 1642TIP3   OH211234   2.350  -0.925  -3.693
 1642TIP3    H111235   2.405  -0.898  -3.619
 1642TIP3    H211236   2.307  -0.842  -3.720
 1643TIP3   OH211237   1.825  -0.920  -2.701
 1643TIP3    H111238   1.812  -0.919  -2.798
 1643TIP3    H211239   1.737  -0.948  -2.668
 1644TIP3   OH211240   2.957  -2.411  -4.042
 1644TIP3    H111241   2.862  -2.395  -4.025
 1644TIP3    H211242   2.977  -2.340  -4.104
 1645TIP3   OH211243   3.066  -0.987  -4.247
 1645TIP3    H111244   3.100  -0.905  -4.207
 1645TIP3    H211245   3.143  -1.047  -4.243
 1646TIP3   OH211246   1.371  -1.306  -2.992
 1646TIP3    H111247   1.325  -1.310  -3.078
 1646TIP3    H211248   1.382  -1.400  -2.970
 1647TIP3   OH211249   1.377  -1.017  -3.298
 1647TIP3    H111250   1.469  -1.045  -3.289
 1647TIP3    H211251   1.368  -0.957  -3.222
 1648TIP3   OH211252   2.278  -1.033  -2.841
 1648TIP3    H111253   2.287  -0.952  -2.788
 1648TIP3    H211254   2.189  -1.064  -2.816
 1649TIP3   OH211255   2.309  -0.654  -3.847
 1649TIP3    H111256   2.310  -0.643  -3.943
 1649TIP3    H211257   2.314  -0.563  -3.814
 1650TIP3   OH211258   1.687  -0.740  -3.681
 1650TIP3    H111259   1.705  -0.784  -3.595
 1650TIP3    H211260   1.602  -0.779  -3.704
 1651TIP3   OH211261   2.633  -0.691  -4.135
 1651TIP3    H111262   2.678  -0.749  -4.201
 1651TIP3    H211263   2.636  -0.747  -4.056
 1652TIP3   OH211264   2.582  -0.766  -3.862
 1652TIP3    H111265   2.489  -0.749  -3.839
 1652TIP3    H211266   2.605  -0.833  -3.796
 1653TIP3   OH211267   2.897  -1.824  -2.683
 1653TIP3    H111268   2.827  -1.792  -2.743
 1653TIP3    H211269   2.904  -1.917  -2.704
 1654TIP3   OH211270   1.589  -1.154  -2.865
 1654TIP3    H111271   1.618  -1.201  -2.785
 1654TIP3    H211272   1.518  -1.211  -2.899
 1655TIP3   OH211273   1.904  -2.296  -3.286
 1655TIP3    H111274   1.819  -2.309  -3.332
 1655TIP3    H211275   1.879  -2.230  -3.220
 1656TIP3   OH211276   2.348  -2.348  -2.929
 1656TIP3    H111277   2.399  -2.398  -2.862
 1656TIP3    H211278   2.257  -2.377  -2.913
 1657TIP3   OH211279   2.839  -1.503  -4.249
 1657TIP3    H111280   2.799  -1.521  -4.336
 1657TIP3    H211281   2.874  -1.414  -4.266
 1658TIP3   OH211282   2.329  -2.112  -4.216
 1658TIP3    H111283   2.274  -2.108  -4.137
 1658TIP3    H211284   2.284  -2.181  -4.267
 1659TIP3   OH211285   1.881  -1.835  -3.137
 1659TIP3    H111286   1.819  -1.833  -3.061
 1659TIP3    H211287   1.880  -1.742  -3.166
 1660TIP3   OH211288   2.454  -1.769  -3.787
 1660TIP3    H111289   2.416  -1.685  -3.820
 1660TIP3    H211290   2.522  -1.787  -3.855
 1661TIP3   OH211291   2.369  -1.745  -2.649
 1661TIP3    H111292   2.318  -1.820  -2.612
 1661TIP3    H211293   2.456  -1.758  -2.606
 1662TIP3   OH211294   2.528  -1.827  -3.504
 1662TIP3    H111295   2.505  -1.769  -3.580
 1662TIP3    H211296   2.553  -1.908  -3.553
 1663TIP3   OH211297   2.003  -2.073  -4.315
 1663TIP3    H111298   1.968  -2.098  -4.227
 1663TIP3    H211299   1.928  -2.021  -4.350
 1664TIP3   OH211300   1.342  -2.043  -3.607
 1664TIP3    H111301   1.381  -2.077  -3.524
 1664TIP3    H211302   1.366  -2.109  -3.674
 1665TIP3   OH211303   1.474  -2.021  -4.037
 1665TIP3    H111304   1.526  -1.972  -4.104
 1665TIP3    H211305   1.403  -1.958  -4.019
 1666TIP3   OH211306   2.444  -1.657  -3.061
 1666TIP3    H111307   2.488  -1.730  -3.109
 1666TIP3    H211308   2.410  -1.704  -2.983
 1667TIP3   OH211309   2.167  -2.062  -3.556
 1667TIP3    H111310   2.073  -2.072  -3.532
 1667TIP3    H211311   2.211  -2.084  -3.472
 1668TIP3   OH211312   1.660  -1.903  -3.711
 1668TIP3    H111313   1.565  -1.899  -3.734
 1668TIP3    H211314   1.684  -1.993  -3.743
 1669TIP3   OH211315   1.965  -1.857  -3.887
 1669TIP3    H111316   2.057  -1.889  -3.891
 1669TIP3    H211317   1.942  -1.844  -3.981
 1670TIP3   OH211318   2.620  -2.164  -3.248
 1670TIP3    H111319   2.559  -2.154  -3.172
 1670TIP3    H211320   2.559  -2.191  -3.319
 1671TIP3   OH211321   1.854  -1.802  -4.149
 1671TIP3    H111322   1.784  -1.839  -4.206
 1671TIP3    H211323   1.920  -1.772  -4.213
 1672TIP3   OH211324   2.905  -0.592  -2.589
 1672TIP3    H111325   2.932  -0.555  -2.674
 1672TIP3    H211326   2.972  -0.556  -2.529
 1673TIP3   OH211327   1.697  -1.304  -2.645
 1673TIP3    H111328   1.765  -1.299  -2.575
 1673TIP3    H211329   1.617  -1.313  -2.590
 1674TIP3   OH211330   2.252  -1.796  -3.388
 1674TIP3    H111331   2.329  -1.838  -3.430
 1674TIP3    H211332   2.239  -1.852  -3.309
 1675TIP3   OH211333   1.798  -2.164  -3.757
 1675TIP3    H111334   1.738  -2.240  -3.744
 1675TIP3    H211335   1.878  -2.208  -3.791
 1676TIP3   OH211336   2.169  -1.952  -3.153
 1676TIP3    H111337   2.085  -1.903  -3.145
 1676TIP3    H211338   2.213  -1.930  -3.068
 1677TIP3   OH211339   2.176  -1.324  -3.957
 1677TIP3    H111340   2.102  -1.375  -3.995
 1677TIP3    H211341   2.158  -1.328  -3.861
 1678TIP3   OH211342   2.906  -1.397  -3.073
 1678TIP3    H111343   2.957  -1.338  -3.133
 1678TIP3    H211344   2.823  -1.406  -3.123
 1679TIP3   OH211345   2.596  -2.048  -4.183
 1679TIP3    H111346   2.498  -2.048  -4.187
 1679TIP3    H211347   2.618  -1.971  -4.127
 1680TIP3   OH211348   2.349  -1.323  -2.829
 1680TIP3    H111349   2.319  -1.358  -2.744
 1680TIP3    H211350   2.316  -1.232  -2.827
 1681TIP3   OH211351   2.656  -1.862  -3.988
 1681TIP3    H111352   2.743  -1.880  -3.946
 1681TIP3    H211353   2.672  -1.775  -4.030
 1682TIP3   OH211354   1.712  -1.424  -3.425
 1682TIP3    H111355   1.804  -1.397  -3.434
 1682TIP3    H211356   1.718  -1.482  -3.347
 1683TIP3   OH211357   2.424  -1.189  -4.067
 1683TIP3    H111358   2.394  -1.101  -4.038
 1683TIP3    H211359   2.346  -1.243  -4.041
 1684TIP3   OH211360   1.396  -1.547  -2.836
 1684TIP3    H111361   1.443  -1.596  -2.765
 1684TIP3    H211362   1.371  -1.618  -2.897
 1685TIP3   OH211363   2.117  -1.601  -2.652
 1685TIP3    H111364   2.068  -1.638  -2.728
 1685TIP3    H211365   2.207  -1.636  -2.668
 1686TIP3   OH211366   2.579  -1.059  -2.871
 1686TIP3    H111367   2.485  -1.053  -2.896
 1686TIP3    H211368   2.573  -1.033  -2.776
 1687TIP3   OH211369   3.126  -1.850  -3.998
 1687TIP3    H111370   3.065  -1.871  -4.071
 1687TIP3    H211371   3.139  -1.755  -4.017
 1688TIP3   OH211372   2.946  -0.997  -3.991
 1688TIP3    H111373   2.925  -1.076  -3.940
 1688TIP3    H211374   2.985  -1.034  -4.072
 1689TIP3   OH211375   2.674  -1.466  -3.244
 1689TIP3    H111376   2.582  -1.480  -3.272
 1689TIP3    H211377   2.720  -1.534  -3.297
 1690TIP3   OH211378   1.929  -1.061  -3.653
 1690TIP3    H111379   1.976  -0.977  -3.664
 1690TIP3    H211380   1.839  -1.035  -3.675
 1691TIP3   OH211381   1.543  -1.556  -4.197
 1691TIP3    H111382   1.596  -1.499  -4.137
 1691TIP3    H211383   1.452  -1.538  -4.167
 1692TIP3   OH211384   2.091  -1.308  -3.684
 1692TIP3    H111385   2.076  -1.212  -3.674
 1692TIP3    H211386   2.012  -1.344  -3.643
 1693TIP3   OH211387   2.131  -0.862  -3.056
 1693TIP3    H111388   2.187  -0.786  -3.082
 1693TIP3    H211389   2.191  -0.911  -2.998
 1694TIP3   OH211390   1.975  -0.767  -3.733
 1694TIP3    H111391   1.879  -0.752  -3.724
 1694TIP3    H211392   2.011  -0.680  -3.707
 1695TIP3   OH211393   2.478  -1.286  -3.090
 1695TIP3    H111394   2.445  -1.317  -3.004
 1695TIP3    H211395   2.549  -1.350  -3.109
 1696TIP3   OH211396   2.686  -1.161  -4.195
 1696TIP3    H111397   2.737  -1.201  -4.122
 1696TIP3    H211398   2.597  -1.169  -4.158
 1697TIP3   OH211399   2.805  -0.869  -2.844
 1697TIP3    H111400   2.720  -0.893  -2.885
 1697TIP3    H211401   2.818  -0.779  -2.879
 1698TIP3   OH211402   3.175  -0.714  -4.158
 1698TIP3    H111403   3.246  -0.646  -4.146
 1698TIP3    H211404   3.096  -0.661  -4.138
 1699TIP3   OH211405   2.785  -1.296  -3.965
 1699TIP3    H111406   2.760  -1.369  -3.906
 1699TIP3    H211407   2.882  -1.300  -3.961
 1700TIP3   OH211408   1.529  -0.919  -3.051
 1700TIP3    H111409   1.555  -1.009  -3.029
 1700TIP3    H211410   1.547  -0.874  -2.967
 1701TIP3   OH211411   2.136  -1.054  -4.327
 1701TIP3    H111412   2.175  -1.139  -4.355
 1701TIP3    H211413   2.081  -1.083  -4.252
 1702TIP3   OH211414   1.992  -1.099  -4.074
 1702TIP3    H111415   2.048  -1.151  -4.015
 1702TIP3    H211416   2.013  -1.007  -4.049
 1703TIP3   OH211417   1.680  -1.383  -4.014
 1703TIP3    H111418   1.607  -1.334  -3.972
 1703TIP3    H211419   1.730  -1.311  -4.055
 1704TIP3   OH211420   2.481  -2.104  -3.013
 1704TIP3    H111421   2.498  -2.081  -2.920
 1704TIP3    H211422   2.408  -2.167  -3.003
 1705TIP3   OH211423   2.504  -2.151  -3.921
 1705TIP3    H111424   2.538  -2.104  -3.999
 1705TIP3    H211425   2.559  -2.114  -3.851
 1706TIP3   OH211426   2.288  -0.941  -4.028
 1706TIP3    H111427   2.211  -0.887  -4.003
 1706TIP3    H211428   2.341  -0.875  -4.075
 1707TIP3   OH211429   2.244  -1.965  -3.818
 1707TIP3    H111430   2.324  -1.910  -3.810
 1707TIP3    H211431   2.222  -1.983  -3.725
 1708TIP3   OH211432   2.291  -1.877  -2.904
 1708TIP3    H111433   2.284  -1.822  -2.824
 1708TIP3    H211434   2.352  -1.945  -2.875
 1709TIP3   OH211435   2.315  -2.261  -3.724
 1709TIP3    H111436   2.296  -2.194  -3.656
 1709TIP3    H211437   2.387  -2.218  -3.773
 1710TIP3   OH211438   2.007  -0.821  -4.025
 1710TIP3    H111439   2.012  -0.736  -4.073
 1710TIP3    H211440   1.995  -0.792  -3.933
 1711TIP3   OH211441   1.889  -2.146  -4.077
 1711TIP3    H111442   1.872  -2.081  -4.009
 1711TIP3    H211443   1.964  -2.196  -4.040
 1712TIP3   OH211444   2.764  -1.687  -3.410
 1712TIP3    H111445   2.682  -1.733  -3.436
 1712TIP3    H211446   2.815  -1.758  -3.365
 1713TIP3   OH211447   1.716  -1.074  -4.154
 1713TIP3    H111448   1.797  -1.044  -4.111
 1713TIP3    H211449   1.754  -1.127  -4.226
 1714TIP3   OH211450   1.546  -1.843  -4.250
 1714TIP3    H111451   1.557  -1.747  -4.238
 1714TIP3    H211452   1.458  -1.847  -4.292
 1715TIP3   OH211453   2.891  -0.797  -3.253
 1715TIP3    H111454   2.862  -0.724  -3.311
 1715TIP3    H211455   2.987  -0.778  -3.250
 1716TIP3   OH211456   1.636  -2.354  -3.370
 1716TIP3    H111457   1.612  -2.357  -3.465
 1716TIP3    H211458   1.598  -2.438  -3.337
 1717TIP3   OH211459   1.520  -1.002  -3.746
 1717TIP3    H111460   1.440  -0.952  -3.724
 1717TIP3    H211461   1.557  -0.950  -3.820
 1718TIP3   OH211462   1.454  -0.710  -2.624
 1718TIP3    H111463   1.515  -0.738  -2.553
 1718TIP3    H211464   1.418  -0.796  -2.653
 1719TIP3   OH211465   1.929  -0.804  -2.452
 1719TIP3    H111466   1.997  -0.868  -2.426
 1719TIP3    H211467   1.907  -0.833  -2.542
 1720TIP3   OH211468   2.351  -0.870  -4.331
 1720TIP3    H111469   2.271  -0.927  -4.326
 1720TIP3    H211470   2.418  -0.937  -4.352
 1721TIP3   OH211471   2.580  -0.988  -2.602
 1721TIP3    H111472   2.535  -1.060  -2.554
 1721TIP3    H211473   2.646  -0.956  -2.537
 1722TIP3   OH211474   2.735  -0.897  -4.288
 1722TIP3    H111475   2.763  -0.978  -4.244
 1722TIP3    H211476   2.819  -0.856  -4.318
 1723TIP3   OH211477   1.452  -1.352  -2.512
 1723TIP3    H111478   1.469  -1.440  -2.549
 1723TIP3    H211479   1.380  -1.321  -2.570
 1724TIP3   OH211480   1.882  -1.291  -4.302
 1724TIP3    H111481   1.899  -1.366  -4.244
 1724TIP3    H211482   1.944  -1.305  -4.374
 1725TIP3   OH211483   2.121  -1.329  -2.584
 1725TIP3    H111484   2.087  -1.299  -2.669
 1725TIP3    H211485   2.127  -1.427  -2.597
 1726TIP3   OH211486   2.411  -1.190  -4.347
 1726TIP3    H111487   2.429  -1.178  -4.252
 1726TIP3    H211488   2.477  -1.256  -4.372
 1727TIP3   OH211489   2.680  -1.338  -2.830
 1727TIP3    H111490   2.746  -1.311  -2.894
 1727TIP3    H211491   2.607  -1.276  -2.847
 1728TIP3   OH211492   1.547  -1.619  -2.601
 1728TIP3    H111493   1.610  -1.691  -2.618
 1728TIP3    H211494   1.538  -1.624  -2.505
 1729TIP3   OH211495   1.988  -1.505  -4.079
 1729TIP3    H111496   1.922  -1.555  -4.030
 1729TIP3    H211497   2.024  -1.572  -4.140
 1730TIP3   OH211498   1.928  -1.715  -2.835
 1730TIP3    H111499   1.842  -1.670  -2.834
 1730TIP3    H211500   1.969  -1.681  -2.916
 1731TIP3   OH211501   2.104  -1.684  -4.275
 1731TIP3    H111502   2.109  -1.712  -4.367
 1731TIP3    H211503   2.199  -1.688  -4.250
 1732TIP3   OH211504   2.437  -1.452  -2.502
 1732TIP3    H111505   2.529  -1.471  -2.525
 1732TIP3    H211506   2.410  -1.534  -2.459
 1733TIP3   OH211507   1.973  -1.991  -2.741
 1733TIP3    H111508   1.969  -2.059  -2.810
 1733TIP3    H211509   1.941  -1.912  -2.788
 1734TIP3   OH211510   1.997  -2.152  -3.003
 1734TIP3    H111511   2.044  -2.092  -3.063
 1734TIP3    H211512   1.903  -2.136  -3.023
 1735TIP3   OH211513   2.160  -1.604  -2.966
 1735TIP3    H111514   2.246  -1.605  -3.011
 1735TIP3    H211515   2.127  -1.515  -2.987
 1736TIP3   OH211516   2.614  -1.807  -2.483
 1736TIP3    H111517   2.629  -1.900  -2.457
 1736TIP3    H211518   2.703  -1.770  -2.477
 1737TIP3   OH211519   2.720  -1.537  -2.650
 1737TIP3    H111520   2.685  -1.464  -2.705
 1737TIP3    H211521   2.814  -1.530  -2.674
 1738TIP3   OH211522   1.792  -1.825  -2.549
 1738TIP3    H111523   1.724  -1.892  -2.570
 1738TIP3    H211524   1.861  -1.848  -2.612
 1739TIP3   OH211525   2.075  -2.413  -2.964
 1739TIP3    H111526   2.053  -2.319  -2.978
 1739TIP3    H211527   2.003  -2.456  -3.014
 1740TIP3   OH211528   2.212  -1.962  -2.590
 1740TIP3    H111529   2.179  -1.985  -2.501
 1740TIP3    H211530   2.130  -1.979  -2.641
 1741TIP3   OH211531   2.470  -2.051  -2.726
 1741TIP3    H111532   2.386  -2.035  -2.679
 1741TIP3    H211533   2.520  -2.101  -2.659
 1742TIP3   OH211534   2.636  -2.202  -2.529
 1742TIP3    H111535   2.618  -2.296  -2.512
 1742TIP3    H211536   2.613  -2.160  -2.444
 1743TIP3   OH211537   1.633  -2.061  -2.577
 1743TIP3    H111538   1.610  -2.125  -2.646
 1743TIP3    H211539   1.608  -2.109  -2.496
 1744TIP3   OH211540   2.055  -2.466  -2.681
 1744TIP3    H111541   2.115  -2.542  -2.674
 1744TIP3    H211542   2.054  -2.450  -2.777
 1745TIP3   OH211543   2.150  -2.280  -2.494
 1745TIP3    H111544   2.115  -2.338  -2.565
 1745TIP3    H211545   2.083  -2.210  -2.489
 1746TIP3   OH211546   2.063  -0.575  -4.172
 1746TIP3    H111547   2.159  -0.560  -4.162
 1746TIP3    H211548   2.039  -0.513  -4.242
 1747TIP3   OH211549   1.449  -1.170  -4.195
 1747TIP3    H111550   1.539  -1.133  -4.197
 1747TIP3    H211551   1.444  -1.221  -4.277
 1748TIP3   OH211552   1.350  -0.616  -3.720
 1748TIP3    H111553   1.278  -0.652  -3.776
 1748TIP3    H211554   1.356  -0.684  -3.650
 1749TIP3   OH211555   1.388  -0.813  -3.520
 1749TIP3    H111556   1.357  -0.900  -3.488
 1749TIP3    H211557   1.422  -0.777  -3.437
 1750TIP3   OH211558   3.156  -0.688  -3.218
 1750TIP3    H111559   3.186  -0.687  -3.127
 1750TIP3    H211560   3.239  -0.664  -3.263
 1751TIP3   OH211561   3.101  -0.782  -2.907
 1751TIP3    H111562   3.078  -0.838  -2.982
 1751TIP3    H211563   3.193  -0.806  -2.888
 1752TIP3   OH211564   2.929  -1.167  -2.537
 1752TIP3    H111565   2.851  -1.195  -2.485
 1752TIP3    H211566   2.981  -1.121  -2.467
 1753TIP3   OH211567   3.067  -1.314  -3.930
 1753TIP3    H111568   3.157  -1.276  -3.919
 1753TIP3    H211569   3.067  -1.378  -3.856
 1754TIP3   OH211570   3.112  -1.511  -3.732
 1754TIP3    H111571   3.050  -1.572  -3.687
 1754TIP3    H211572   3.185  -1.502  -3.669
 1755TIP3   OH211573   3.087  -1.266  -3.241
 1755TIP3    H111574   3.153  -1.316  -3.291
 1755TIP3    H211575   3.109  -1.174  -3.266
 1756TIP3   OH211576   3.139  -1.551  -4.107
 1756TIP3    H111577   3.081  -1.516  -4.175
 1756TIP3    H211578   3.128  -1.483  -4.038
 1757TIP3   OH211579   2.963  -1.811  -4.218
 1757TIP3    H111580   2.997  -1.735  -4.268
 1757TIP3    H211581   3.009  -1.885  -4.260
 1758TIP3   OH211582   2.908  -1.701  -3.651
 1758TIP3    H111583   2.901  -1.797  -3.665
 1758TIP3    H211584   2.871  -1.691  -3.561
 1759TIP3   OH211585   1.405  -1.477  -3.276
 1759TIP3    H111586   1.428  -1.475  -3.370
 1759TIP3    H211587   1.488  -1.510  -3.236
 1760TIP3   OH211588   2.991  -1.465  -2.720
 1760TIP3    H111589   3.045  -1.546  -2.724
 1760TIP3    H211590   3.054  -1.399  -2.749
 1761TIP3   OH211591   3.119  -1.687  -2.620
 1761TIP3    H111592   3.044  -1.747  -2.642
 1761TIP3    H211593   3.194  -1.749  -2.618
 1762TIP3   OH211594   2.889  -2.130  -4.338
 1762TIP3    H111595   2.950  -2.156  -4.268
 1762TIP3    H211596   2.803  -2.164  -4.310
 1763TIP3   OH211597   2.888  -1.946  -3.837
 1763TIP3    H111598   2.915  -2.040  -3.828
 1763TIP3    H211599   2.970  -1.908  -3.872
 1764TIP3   OH211600   2.923  -1.883  -3.293
 1764TIP3    H111601   3.020  -1.872  -3.296
 1764TIP3    H211602   2.907  -1.880  -3.198
 1765TIP3   OH211603   2.921  -1.831  -2.997
 1765TIP3    H111604   2.839  -1.782  -2.971
 1765TIP3    H211605   2.978  -1.755  -3.024
 1766TIP3   OH211606   3.175  -2.395  -2.502
 1766TIP3    H111607   3.231  -2.467  -2.535
 1766TIP3    H211608   3.213  -2.317  -2.544
 1767TIP3   OH211609   2.939  -2.215  -3.823
 1767TIP3    H111610   2.960  -2.259  -3.738
 1767TIP3    H211611   2.870  -2.274  -3.859
 1768TIP3   OH211612   1.463  -2.109  -3.362
 1768TIP3    H111613   1.503  -2.197  -3.347
 1768TIP3    H211614   1.530  -2.052  -3.320
 1769TIP3   OH211615   1.314  -1.840  -3.258
 1769TIP3    H111616   1.374  -1.849  -3.332
 1769TIP3    H211617   1.357  -1.773  -3.203
 1770TIP3   OH211618   3.098  -2.167  -2.680
 1770TIP3    H111619   3.026  -2.178  -2.615
 1770TIP3    H211620   3.093  -2.247  -2.735
 1771TIP3   OH211621   3.143  -2.179  -4.180
 1771TIP3    H111622   3.171  -2.258  -4.228
 1771TIP3    H211623   3.228  -2.134  -4.167
 1772TIP3   OH211624   1.364  -2.204  -3.848
 1772TIP3    H111625   1.270  -2.207  -3.873
 1772TIP3    H211626   1.403  -2.149  -3.918
 1773TIP3   OH211627   2.829  -0.685  -3.641
 1773TIP3    H111628   2.877  -0.710  -3.721
 1773TIP3    H211629   2.898  -0.644  -3.588
 1774TIP3   OH211630   1.367  -2.333  -3.049
 1774TIP3    H111631   1.312  -2.342  -2.970
 1774TIP3    H211632   1.317  -2.267  -3.099
 1775TIP3   OH211633   1.570  -1.005  -2.569
 1775TIP3    H111634   1.496  -1.012  -2.630
 1775TIP3    H211635   1.527  -1.015  -2.483
 1776TIP3   OH211636   1.854  -0.915  -3.002
 1776TIP3    H111637   1.823  -0.828  -3.034
 1776TIP3    H211638   1.951  -0.904  -3.017
 1777TIP3   OH211639   2.307  -0.782  -2.700
 1777TIP3    H111640   2.317  -0.797  -2.604
 1777TIP3    H211641   2.391  -0.738  -2.722
 1778TIP3   OH211642   2.541  -0.641  -2.775
 1778TIP3    H111643   2.607  -0.709  -2.794
 1778TIP3    H211644   2.572  -0.608  -2.688
 1779TIP3   OH211645   2.989  -2.366  -2.867
 1779TIP3    H111646   2.915  -2.390  -2.927
 1779TIP3    H211647   3.043  -2.447  -2.878
 1780TIP3   OH211648   1.590  -0.618  -2.967
 1780TIP3    H111649   1.531  -0.554  -3.010
 1780TIP3    H211650   1.561  -0.611  -2.875
 1781TIP3   OH211651   1.841  -0.640  -3.112
 1781TIP3    H111652   1.756  -0.621  -3.067
 1781TIP3    H211653   1.844  -0.570  -3.179
 1782TIP3   OH211654   2.316  -0.641  -3.155
 1782TIP3    H111655   2.280  -0.595  -3.232
 1782TIP3    H211656   2.326  -0.568  -3.091
 1783TIP3   OH211657   2.550  -0.774  -3.063
 1783TIP3    H111658   2.467  -0.734  -3.095
 1783TIP3    H211659   2.608  -0.696  -3.057
 1784TIP3   OH211660   2.805  -0.594  -3.039
 1784TIP3    H111661   2.798  -0.501  -3.068
 1784TIP3    H211662   2.830  -0.637  -3.122
 1785TIP3   OH211663   1.549  -0.738  -3.272
 1785TIP3    H111664   1.547  -0.785  -3.187
 1785TIP3    H211665   1.626  -0.781  -3.315
 1786TIP3   OH211666   1.752  -0.864  -3.428
 1786TIP3    H111667   1.737  -0.956  -3.400
 1786TIP3    H211668   1.842  -0.847  -3.395
 1787TIP3   OH211669   2.025  -0.816  -3.339
 1787TIP3    H111670   2.048  -0.908  -3.360
 1787TIP3    H211671   2.034  -0.817  -3.242
 1788TIP3   OH211672   2.361  -2.226  -3.406
 1788TIP3    H111673   2.293  -2.295  -3.393
 1788TIP3    H211674   2.424  -2.271  -3.465
 1789TIP3   OH211675   2.852  -2.419  -3.362
 1789TIP3    H111676   2.932  -2.382  -3.405
 1789TIP3    H211677   2.782  -2.394  -3.423
 1790TIP3   OH211678   3.061  -2.314  -3.576
 1790TIP3    H111679   3.133  -2.361  -3.622
 1790TIP3    H211680   3.097  -2.223  -3.572
 1791TIP3   OH211681   1.596  -2.354  -3.654
 1791TIP3    H111682   1.509  -2.369  -3.697
 1791TIP3    H211683   1.637  -2.442  -3.666
 1792TIP3   OH211684   1.475  -2.400  -4.081
 1792TIP3    H111685   1.533  -2.335  -4.127
 1792TIP3    H211686   1.439  -2.346  -4.009
 1793TIP3   OH211687   2.042  -2.370  -3.665
 1793TIP3    H111688   2.134  -2.343  -3.679
 1793TIP3    H211689   2.041  -2.383  -3.569
 1794TIP3   OH211690   2.601  -2.368  -3.525
 1794TIP3    H111691   2.629  -2.382  -3.616
 1794TIP3    H211692   2.564  -2.455  -3.501
 1795TIP3   OH211693   2.705  -2.364  -3.914
 1795TIP3    H111694   2.628  -2.318  -3.949
 1795TIP3    H211695   2.677  -2.457  -3.923
 1796TIP3   OH211696   1.482  -0.810  -3.964
 1796TIP3    H111697   1.411  -0.813  -4.030
 1796TIP3    H211698   1.483  -0.716  -3.942
 1797TIP3   OH211699   1.644  -2.229  -4.227
 1797TIP3    H111700   1.700  -2.286  -4.281
 1797TIP3    H211701   1.710  -2.176  -4.180
 1798TIP3   OH211702   2.150  -2.205  -3.955
 1798TIP3    H111703   2.191  -2.265  -3.891
 1798TIP3    H211704   2.188  -2.121  -3.925
 1799TIP3   OH211705   2.359  -0.647  -4.145
 1799TIP3    H111706   2.456  -0.634  -4.149
 1799TIP3    H211707   2.349  -0.708  -4.221
 1800TIP3   OH211708   3.020  -0.726  -3.883
 1800TIP3    H111709   2.993  -0.810  -3.925
 1800TIP3    H211710   3.002  -0.661  -3.953
 1801TIP3   OH211711   1.574  -2.339  -2.710
 1801TIP3    H111712   1.539  -2.418  -2.665
 1801TIP3    H211713   1.666  -2.338  -2.678
 1802TIP3   OH211714   1.814  -2.393  -2.526
 1802TIP3    H111715   1.895  -2.429  -2.566
 1802TIP3    H211716   1.776  -2.472  -2.484
 1803TIP3   OH211717   1.682  -0.703  -4.232
 1803TIP3    H111718   1.641  -0.679  -4.148
 1803TIP3    H211719   1.748  -0.769  -4.208
 1804TIP3   OH211720   2.625  -2.484  -2.512
 1804TIP3    H111721   2.626  -2.525  -2.423
 1804TIP3    H211722   2.720  -2.482  -2.533
 1805TIP3   OH211723   4.222  -1.590  -3.311
 1805TIP3    H111724   4.293  -1.544  -3.263
 1805TIP3    H211725   4.241  -1.568  -3.403
 1806TIP3   OH211726   3.514  -1.580  -3.149
 1806TIP3    H111727   3.518  -1.652  -3.084
 1806TIP3    H211728   3.589  -1.525  -3.121
 1807TIP3   OH211729   3.584  -1.148  -3.290
 1807TIP3    H111730   3.573  -1.233  -3.337
 1807TIP3    H211731   3.677  -1.127  -3.308
 1808TIP3   OH211732   3.280  -1.781  -3.762
 1808TIP3    H111733   3.248  -1.690  -3.750
 1808TIP3    H211734   3.207  -1.821  -3.813
 1809TIP3   OH211735   3.355  -1.534  -3.588
 1809TIP3    H111736   3.376  -1.608  -3.529
 1809TIP3    H211737   3.444  -1.509  -3.620
 1810TIP3   OH211738   4.122  -1.288  -3.246
 1810TIP3    H111739   4.146  -1.349  -3.317
 1810TIP3    H211740   4.207  -1.267  -3.207
 1811TIP3   OH211741   3.744  -2.052  -3.505
 1811TIP3    H111742   3.757  -1.966  -3.549
 1811TIP3    H211743   3.707  -2.103  -3.580
 1812TIP3   OH211744   3.407  -1.784  -3.449
 1812TIP3    H111745   3.477  -1.827  -3.397
 1812TIP3    H211746   3.419  -1.825  -3.536
 1813TIP3   OH211747   3.952  -1.643  -3.505
 1813TIP3    H111748   4.025  -1.697  -3.471
 1813TIP3    H211749   3.899  -1.710  -3.552
 1814TIP3   OH211750   3.622  -2.174  -3.089
 1814TIP3    H111751   3.584  -2.125  -3.163
 1814TIP3    H211752   3.557  -2.156  -3.018
 1815TIP3   OH211753   3.914  -1.389  -3.074
 1815TIP3    H111754   3.844  -1.326  -3.049
 1815TIP3    H211755   3.980  -1.330  -3.115
 1816TIP3   OH211756   3.582  -1.970  -3.295
 1816TIP3    H111757   3.646  -1.911  -3.250
 1816TIP3    H211758   3.639  -2.006  -3.366
 1817TIP3   OH211759   3.718  -1.195  -2.996
 1817TIP3    H111760   3.715  -1.114  -3.051
 1817TIP3    H211761   3.626  -1.196  -2.967
 1818TIP3   OH211762   3.335  -1.220  -3.913
 1818TIP3    H111763   3.329  -1.178  -4.001
 1818TIP3    H211764   3.360  -1.148  -3.853
 1819TIP3   OH211765   4.043  -2.426  -3.375
 1819TIP3    H111766   4.015  -2.520  -3.375
 1819TIP3    H211767   3.963  -2.383  -3.338
 1820TIP3   OH211768   4.237  -1.524  -3.928
 1820TIP3    H111769   4.165  -1.462  -3.944
 1820TIP3    H211770   4.305  -1.491  -3.987
 1821TIP3   OH211771   4.280  -1.696  -4.212
 1821TIP3    H111772   4.344  -1.693  -4.138
 1821TIP3    H211773   4.303  -1.780  -4.253
 1822TIP3   OH211774   3.747  -1.461  -3.616
 1822TIP3    H111775   3.731  -1.495  -3.706
 1822TIP3    H211776   3.824  -1.513  -3.587
 1823TIP3   OH211777   3.897  -1.125  -3.338
 1823TIP3    H111778   3.893  -1.149  -3.432
 1823TIP3    H211779   3.981  -1.165  -3.310
 1824TIP3   OH211780   3.815  -1.572  -3.265
 1824TIP3    H111781   3.872  -1.570  -3.345
 1824TIP3    H211782   3.856  -1.503  -3.209
 1825TIP3   OH211783   3.903  -1.138  -2.784
 1825TIP3    H111784   3.852  -1.071  -2.736
 1825TIP3    H211785   3.842  -1.160  -2.857
 1826TIP3   OH211786   3.595  -1.502  -2.868
 1826TIP3    H111787   3.602  -1.440  -2.793
 1826TIP3    H211788   3.499  -1.510  -2.879
 1827TIP3   OH211789   4.263  -0.928  -3.703
 1827TIP3    H111790   4.299  -0.877  -3.628
 1827TIP3    H211791   4.200  -0.865  -3.741
 1828TIP3   OH211792   3.707  -0.917  -2.695
 1828TIP3    H111793   3.706  -0.910  -2.793
 1828TIP3    H211794   3.619  -0.953  -2.676
 1829TIP3   OH211795   3.657  -1.582  -3.862
 1829TIP3    H111796   3.662  -1.511  -3.927
 1829TIP3    H211797   3.582  -1.633  -3.896
 1830TIP3   OH211798   3.233  -1.305  -2.979
 1830TIP3    H111799   3.206  -1.306  -3.073
 1830TIP3    H211800   3.259  -1.397  -2.963
 1831TIP3   OH211801   3.257  -1.027  -3.279
 1831TIP3    H111802   3.351  -1.049  -3.293
 1831TIP3    H211803   3.268  -0.936  -3.247
 1832TIP3   OH211804   4.165  -1.030  -2.847
 1832TIP3    H111805   4.179  -0.952  -2.792
 1832TIP3    H211806   4.080  -1.065  -2.816
 1833TIP3   OH211807   4.186  -0.649  -3.842
 1833TIP3    H111808   4.201  -0.656  -3.937
 1833TIP3    H211809   4.214  -0.560  -3.819
 1834TIP3   OH211810   3.575  -0.747  -3.644
 1834TIP3    H111811   3.590  -0.788  -3.557
 1834TIP3    H211812   3.499  -0.799  -3.674
 1835TIP3   OH211813   3.437  -1.138  -2.842
 1835TIP3    H111814   3.497  -1.195  -2.791
 1835TIP3    H211815   3.395  -1.197  -2.907
 1836TIP3   OH211816   3.796  -2.311  -3.290
 1836TIP3    H111817   3.715  -2.315  -3.344
 1836TIP3    H211818   3.775  -2.235  -3.234
 1837TIP3   OH211819   4.234  -2.373  -2.862
 1837TIP3    H111820   4.245  -2.445  -2.799
 1837TIP3    H211821   4.142  -2.390  -2.894
 1838TIP3   OH211822   4.220  -2.100  -4.212
 1838TIP3    H111823   4.162  -2.107  -4.135
 1838TIP3    H211824   4.185  -2.170  -4.269
 1839TIP3   OH211825   3.777  -1.830  -3.151
 1839TIP3    H111826   3.724  -1.814  -3.072
 1839TIP3    H211827   3.790  -1.738  -3.186
 1840TIP3   OH211828   3.774  -1.825  -3.660
 1840TIP3    H111829   3.678  -1.828  -3.676
 1840TIP3    H211830   3.807  -1.830  -3.751
 1841TIP3   OH211831   4.261  -1.722  -3.744
 1841TIP3    H111832   4.216  -1.654  -3.798
 1841TIP3    H211833   4.332  -1.667  -3.707
 1842TIP3   OH211834   4.249  -1.743  -2.635
 1842TIP3    H111835   4.197  -1.824  -2.616
 1842TIP3    H211836   4.339  -1.781  -2.632
 1843TIP3   OH211837   3.505  -1.814  -2.958
 1843TIP3    H111838   3.550  -1.782  -2.878
 1843TIP3    H211839   3.487  -1.907  -2.935
 1844TIP3   OH211840   3.895  -2.075  -4.311
 1844TIP3    H111841   3.855  -2.097  -4.225
 1844TIP3    H211842   3.823  -2.020  -4.349
 1845TIP3   OH211843   3.196  -2.070  -3.596
 1845TIP3    H111844   3.260  -2.071  -3.523
 1845TIP3    H211845   3.247  -2.101  -3.673
 1846TIP3   OH211846   3.357  -2.024  -4.041
 1846TIP3    H111847   3.414  -1.974  -4.103
 1846TIP3    H211848   3.291  -1.956  -4.017
 1847TIP3   OH211849   4.351  -1.687  -3.023
 1847TIP3    H111850   4.378  -1.754  -3.089
 1847TIP3    H211851   4.272  -1.730  -2.986
 1848TIP3   OH211852   4.048  -2.089  -3.554
 1848TIP3    H111853   3.954  -2.074  -3.534
 1848TIP3    H211854   4.089  -2.056  -3.472
 1849TIP3   OH211855   3.505  -1.944  -3.686
 1849TIP3    H111856   3.427  -1.912  -3.735
 1849TIP3    H211857   3.535  -2.020  -3.739
 1850TIP3   OH211858   3.875  -1.910  -3.931
 1850TIP3    H111859   3.967  -1.881  -3.919
 1850TIP3    H211860   3.838  -1.845  -3.994
 1851TIP3   OH211861   3.727  -1.796  -4.154
 1851TIP3    H111862   3.674  -1.840  -4.222
 1851TIP3    H211863   3.793  -1.748  -4.205
 1852TIP3   OH211864   3.579  -1.313  -2.647
 1852TIP3    H111865   3.649  -1.305  -2.579
 1852TIP3    H211866   3.500  -1.296  -2.592
 1853TIP3   OH211867   4.139  -1.859  -3.416
 1853TIP3    H111868   4.224  -1.883  -3.455
 1853TIP3    H211869   4.161  -1.855  -3.322
 1854TIP3   OH211870   3.675  -2.175  -3.758
 1854TIP3    H111871   3.626  -2.257  -3.742
 1854TIP3    H211872   3.758  -2.207  -3.794
 1855TIP3   OH211873   4.048  -1.976  -3.143
 1855TIP3    H111874   3.981  -1.908  -3.162
 1855TIP3    H211875   4.101  -1.934  -3.073
 1856TIP3   OH211876   4.202  -1.342  -2.832
 1856TIP3    H111877   4.188  -1.347  -2.737
 1856TIP3    H211878   4.216  -1.247  -2.847
 1857TIP3   OH211879   3.572  -1.408  -3.392
 1857TIP3    H111880   3.636  -1.408  -3.466
 1857TIP3    H211881   3.602  -1.485  -3.341
 1858TIP3   OH211882   4.251  -1.213  -4.054
 1858TIP3    H111883   4.244  -1.119  -4.030
 1858TIP3    H211884   4.162  -1.242  -4.026
 1859TIP3   OH211885   3.299  -1.556  -2.849
 1859TIP3    H111886   3.324  -1.607  -2.769
 1859TIP3    H211887   3.245  -1.619  -2.899
 1860TIP3   OH211888   4.000  -1.613  -2.649
 1860TIP3    H111889   3.972  -1.635  -2.740
 1860TIP3    H211890   4.096  -1.631  -2.655
 1861TIP3   OH211891   3.797  -1.037  -3.625
 1861TIP3    H111892   3.862  -0.984  -3.671
 1861TIP3    H211893   3.725  -1.044  -3.688
 1862TIP3   OH211894   3.418  -1.578  -4.203
 1862TIP3    H111895   3.475  -1.511  -4.161
 1862TIP3    H211896   3.330  -1.552  -4.171
 1863TIP3   OH211897   4.014  -1.279  -3.621
 1863TIP3    H111898   4.005  -1.208  -3.686
 1863TIP3    H211899   3.945  -1.340  -3.649
 1864TIP3   OH211900   4.020  -0.853  -3.051
 1864TIP3    H111901   4.082  -0.794  -3.096
 1864TIP3    H211902   4.081  -0.916  -3.008
 1865TIP3   OH211903   3.862  -0.764  -3.751
 1865TIP3    H111904   3.771  -0.766  -3.717
 1865TIP3    H211905   3.896  -0.681  -3.713
 1866TIP3   OH211906   3.431  -2.091  -2.889
 1866TIP3    H111907   3.342  -2.082  -2.924
 1866TIP3    H211908   3.427  -2.180  -2.849
 1867TIP3   OH211909   4.017  -1.055  -4.286
 1867TIP3    H111910   4.031  -1.136  -4.335
 1867TIP3    H211911   3.972  -1.091  -4.206
 1868TIP3   OH211912   3.550  -1.366  -4.053
 1868TIP3    H111913   3.488  -1.322  -3.991
 1868TIP3    H211914   3.624  -1.303  -4.054
 1869TIP3   OH211915   4.338  -2.064  -2.983
 1869TIP3    H111916   4.384  -2.142  -2.951
 1869TIP3    H211917   4.273  -2.102  -3.044
 1870TIP3   OH211918   4.190  -0.929  -4.020
 1870TIP3    H111919   4.095  -0.917  -4.004
 1870TIP3    H211920   4.204  -0.873  -4.097
 1871TIP3   OH211921   4.154  -1.968  -3.810
 1871TIP3    H111922   4.201  -1.886  -3.785
 1871TIP3    H211923   4.112  -1.989  -3.725
 1872TIP3   OH211924   4.162  -1.880  -2.893
 1872TIP3    H111925   4.183  -1.825  -2.817
 1872TIP3    H211926   4.236  -1.944  -2.896
 1873TIP3   OH211927   4.198  -2.270  -3.694
 1873TIP3    H111928   4.164  -2.192  -3.644
 1873TIP3    H211929   4.270  -2.231  -3.746
 1874TIP3   OH211930   3.871  -0.836  -4.041
 1874TIP3    H111931   3.894  -0.748  -4.075
 1874TIP3    H211932   3.873  -0.822  -3.944
 1875TIP3   OH211933   3.768  -2.155  -4.080
 1875TIP3    H111934   3.764  -2.080  -4.019
 1875TIP3    H211935   3.841  -2.207  -4.044
 1876TIP3   OH211936   3.624  -1.052  -4.157
 1876TIP3    H111937   3.703  -1.026  -4.107
 1876TIP3    H211938   3.661  -1.121  -4.214
 1877TIP3   OH211939   3.432  -1.854  -4.261
 1877TIP3    H111940   3.447  -1.760  -4.241
 1877TIP3    H211941   3.339  -1.852  -4.291
 1878TIP3   OH211942   3.505  -2.350  -3.376
 1878TIP3    H111943   3.503  -2.363  -3.473
 1878TIP3    H211944   3.481  -2.439  -3.343
 1879TIP3   OH211945   3.404  -0.989  -3.743
 1879TIP3    H111946   3.322  -0.939  -3.736
 1879TIP3    H211947   3.447  -0.948  -3.818
 1880TIP3   OH211948   3.336  -0.717  -2.628
 1880TIP3    H111949   3.405  -0.736  -2.561
 1880TIP3    H211950   3.292  -0.801  -2.635
 1881TIP3   OH211951   3.816  -0.802  -2.453
 1881TIP3    H111952   3.882  -0.869  -2.427
 1881TIP3    H211953   3.789  -0.837  -2.540
 1882TIP3   OH211954   4.228  -0.873  -4.317
 1882TIP3    H111955   4.145  -0.926  -4.314
 1882TIP3    H211956   4.286  -0.936  -4.359
 1883TIP3   OH211957   3.306  -1.338  -2.549
 1883TIP3    H111958   3.335  -1.429  -2.571
 1883TIP3    H211959   3.262  -1.311  -2.630
 1884TIP3   OH211960   3.761  -1.306  -4.322
 1884TIP3    H111961   3.785  -1.339  -4.234
 1884TIP3    H211962   3.846  -1.310  -4.368
 1885TIP3   OH211963   4.000  -1.330  -2.583
 1885TIP3    H111964   3.979  -1.296  -2.671
 1885TIP3    H211965   4.016  -1.425  -2.598
 1886TIP3   OH211966   4.292  -1.192  -4.357
 1886TIP3    H111967   4.307  -1.174  -4.262
 1886TIP3    H211968   4.329  -1.280  -4.368
 1887TIP3   OH211969   3.421  -1.636  -2.598
 1887TIP3    H111970   3.500  -1.692  -2.599
 1887TIP3    H211971   3.421  -1.606  -2.505
 1888TIP3   OH211972   3.790  -1.722  -2.861
 1888TIP3    H111973   3.741  -1.641  -2.836
 1888TIP3    H211974   3.855  -1.687  -2.924
 1889TIP3   OH211975   3.996  -1.658  -4.265
 1889TIP3    H111976   3.990  -1.697  -4.352
 1889TIP3    H211977   4.089  -1.668  -4.240
 1890TIP3   OH211978   4.267  -1.482  -2.488
 1890TIP3    H111979   4.354  -1.485  -2.530
 1890TIP3    H211980   4.271  -1.559  -2.430
 1891TIP3   OH211981   3.853  -1.993  -2.740
 1891TIP3    H111982   3.864  -2.057  -2.813
 1891TIP3    H211983   3.839  -1.911  -2.789
 1892TIP3   OH211984   3.886  -2.148  -2.997
 1892TIP3    H111985   3.938  -2.090  -3.058
 1892TIP3    H211986   3.796  -2.143  -3.034
 1893TIP3   OH211987   4.064  -1.609  -2.968
 1893TIP3    H111988   4.135  -1.608  -3.033
 1893TIP3    H211989   4.029  -1.519  -2.977
 1894TIP3   OH211990   3.668  -1.807  -2.564
 1894TIP3    H111991   3.618  -1.891  -2.564
 1894TIP3    H211992   3.751  -1.833  -2.607
 1895TIP3   OH211993   3.972  -2.409  -2.961
 1895TIP3    H111994   3.948  -2.316  -2.979
 1895TIP3    H211995   3.906  -2.456  -3.016
 1896TIP3   OH211996   4.104  -1.969  -2.584
 1896TIP3    H111997   4.060  -1.987  -2.500
 1896TIP3    H211998   4.030  -1.987  -2.646
 1897TIP3   OH211999   3.534  -2.062  -2.579
 1897TIP3    H112000   3.533  -2.134  -2.643
 1897TIP3    H212001   3.520  -2.110  -2.495
 1898TIP3   OH212002   3.944  -2.463  -2.679
 1898TIP3    H112003   4.004  -2.539  -2.674
 1898TIP3    H212004   3.941  -2.447  -2.775
 1899TIP3   OH212005   4.034  -2.285  -2.483
 1899TIP3    H112006   4.007  -2.338  -2.560
 1899TIP3    H212007   3.974  -2.209  -2.488
 1900TIP3   OH212008   3.957  -0.570  -4.163
 1900TIP3    H112009   4.053  -0.569  -4.163
 1900TIP3    H212010   3.934  -0.521  -4.243
 1901TIP3   OH212011   3.334  -1.163  -4.197
 1901TIP3    H112012   3.427  -1.135  -4.195
 1901TIP3    H212013   3.333  -1.222  -4.274
 1902TIP3   OH212014   3.237  -0.614  -3.716
 1902TIP3    H112015   3.166  -0.654  -3.770
 1902TIP3    H212016   3.246  -0.681  -3.644
 1903TIP3   OH212017   3.266  -0.804  -3.516
 1903TIP3    H112018   3.248  -0.896  -3.493
 1903TIP3    H212019   3.326  -0.782  -3.441
 1904TIP3   OH212020   3.281  -1.484  -3.275
 1904TIP3    H112021   3.305  -1.470  -3.368
 1904TIP3    H212022   3.370  -1.501  -3.237
 1905TIP3   OH212023   3.269  -1.939  -2.653
 1905TIP3    H112024   3.363  -1.961  -2.636
 1905TIP3    H212025   3.225  -2.024  -2.635
 1906TIP3   OH212026   3.334  -2.115  -3.342
 1906TIP3    H112027   3.384  -2.199  -3.347
 1906TIP3    H212028   3.405  -2.053  -3.319
 1907TIP3   OH212029   3.203  -1.841  -3.241
 1907TIP3    H112030   3.257  -1.855  -3.321
 1907TIP3    H212031   3.241  -1.757  -3.212
 1908TIP3   OH212032   3.253  -2.200  -3.848
 1908TIP3    H112033   3.159  -2.205  -3.871
 1908TIP3    H212034   3.292  -2.146  -3.920
 1909TIP3   OH212035   3.258  -2.303  -3.027
 1909TIP3    H112036   3.193  -2.363  -2.990
 1909TIP3    H212037   3.211  -2.272  -3.106
 1910TIP3   OH212038   3.443  -1.020  -2.564
 1910TIP3    H112039   3.378  -1.017  -2.635
 1910TIP3    H212040   3.393  -1.010  -2.482
 1911TIP3   OH212041   3.747  -0.907  -2.982
 1911TIP3    H112042   3.697  -0.845  -3.038
 1911TIP3    H212043   3.838  -0.893  -3.015
 1912TIP3   OH212044   4.220  -0.739  -2.706
 1912TIP3    H112045   4.201  -0.785  -2.622
 1912TIP3    H212046   4.318  -0.741  -2.703
 1913TIP3   OH212047   3.478  -0.614  -2.957
 1913TIP3    H112048   3.421  -0.558  -3.013
 1913TIP3    H212049   3.435  -0.606  -2.872
 1914TIP3   OH212050   3.747  -0.612  -3.083
 1914TIP3    H112051   3.657  -0.626  -3.048
 1914TIP3    H212052   3.728  -0.592  -3.175
 1915TIP3   OH212053   4.214  -0.663  -3.163
 1915TIP3    H112054   4.174  -0.619  -3.240
 1915TIP3    H212055   4.217  -0.593  -3.098
 1916TIP3   OH212056   3.916  -0.799  -3.346
 1916TIP3    H112057   3.901  -0.888  -3.382
 1916TIP3    H212058   3.891  -0.814  -3.254
 1917TIP3   OH212059   4.270  -2.266  -3.405
 1917TIP3    H112060   4.182  -2.305  -3.392
 1917TIP3    H212061   4.291  -2.295  -3.494
 1918TIP3   OH212062   3.506  -2.401  -3.661
 1918TIP3    H112063   3.417  -2.404  -3.700
 1918TIP3    H212064   3.527  -2.495  -3.656
 1919TIP3   OH212065   3.352  -2.396  -4.087
 1919TIP3    H112066   3.418  -2.335  -4.126
 1919TIP3    H212067   3.330  -2.351  -4.004
 1920TIP3   OH212068   3.932  -2.373  -3.665
 1920TIP3    H112069   4.025  -2.345  -3.671
 1920TIP3    H212070   3.925  -2.385  -3.570
 1921TIP3   OH212071   3.366  -0.810  -3.966
 1921TIP3    H112072   3.295  -0.811  -4.033
 1921TIP3    H212073   3.368  -0.717  -3.941
 1922TIP3   OH212074   3.527  -2.228  -4.232
 1922TIP3    H112075   3.584  -2.288  -4.281
 1922TIP3    H212076   3.592  -2.177  -4.181
 1923TIP3   OH212077   4.072  -2.209  -3.965
 1923TIP3    H112078   4.064  -2.266  -3.886
 1923TIP3    H212079   4.055  -2.121  -3.928
 1924TIP3   OH212080   4.266  -0.653  -4.149
 1924TIP3    H112081   4.357  -0.622  -4.167
 1924TIP3    H212082   4.251  -0.714  -4.225
 1925TIP3   OH212083   3.456  -2.333  -2.697
 1925TIP3    H112084   3.422  -2.418  -2.664
 1925TIP3    H212085   3.550  -2.343  -2.676
 1926TIP3   OH212086   3.697  -2.394  -2.528
 1926TIP3    H112087   3.781  -2.427  -2.566
 1926TIP3    H212088   3.665  -2.474  -2.483
 1927TIP3   OH212089   3.573  -0.697  -4.231
 1927TIP3    H112090   3.526  -0.686  -4.147
 1927TIP3    H212091   3.635  -0.769  -4.212
 1928TIP3   OH212092  -3.173   0.402  -3.669
 1928TIP3    H112093  -3.175   0.493  -3.635
 1928TIP3    H212094  -3.246   0.401  -3.732
 1929TIP3   OH212095  -4.033   0.311  -3.152
 1929TIP3    H112096  -4.035   0.234  -3.093
 1929TIP3    H212097  -3.952   0.354  -3.122
 1930TIP3   OH212098  -2.905   0.621  -3.489
 1930TIP3    H112099  -2.959   0.548  -3.452
 1930TIP3    H212100  -2.879   0.665  -3.408
 1931TIP3   OH212101  -3.974   0.751  -3.286
 1931TIP3    H112102  -3.978   0.667  -3.339
 1931TIP3    H212103  -3.878   0.757  -3.275
 1932TIP3   OH212104  -4.173   0.204  -3.838
 1932TIP3    H112105  -4.227   0.266  -3.785
 1932TIP3    H212106  -4.214   0.121  -3.814
 1933TIP3   OH212107  -4.207   0.358  -3.578
 1933TIP3    H112108  -4.186   0.278  -3.528
 1933TIP3    H212109  -4.124   0.380  -3.620
 1934TIP3   OH212110  -3.183   1.166  -3.422
 1934TIP3    H112111  -3.149   1.090  -3.474
 1934TIP3    H212112  -3.254   1.126  -3.370
 1935TIP3   OH212113  -3.421   0.590  -3.262
 1935TIP3    H112114  -3.386   0.523  -3.324
 1935TIP3    H212115  -3.338   0.605  -3.213
 1936TIP3   OH212116  -2.554  -0.251  -3.197
 1936TIP3    H112117  -2.539  -0.185  -3.127
 1936TIP3    H212118  -2.499  -0.214  -3.269
 1937TIP3   OH212119  -3.094   0.032  -3.210
 1937TIP3    H112120  -3.082  -0.064  -3.215
 1937TIP3    H212121  -3.102   0.055  -3.304
 1938TIP3   OH212122  -3.804  -0.166  -3.505
 1938TIP3    H112123  -3.784  -0.082  -3.550
 1938TIP3    H212124  -3.835  -0.219  -3.581
 1939TIP3   OH212125  -3.015  -0.160  -3.682
 1939TIP3    H112126  -2.960  -0.197  -3.610
 1939TIP3    H212127  -2.951  -0.103  -3.727
 1940TIP3   OH212128  -4.137   0.113  -3.451
 1940TIP3    H112129  -4.078   0.068  -3.388
 1940TIP3    H212130  -4.124   0.058  -3.530
 1941TIP3   OH212131  -3.596   0.247  -3.505
 1941TIP3    H112132  -3.518   0.201  -3.468
 1941TIP3    H212133  -3.639   0.173  -3.552
 1942TIP3   OH212134  -2.480  -0.105  -2.950
 1942TIP3    H112135  -2.543  -0.037  -2.981
 1942TIP3    H212136  -2.515  -0.119  -2.860
 1943TIP3   OH212137  -3.916  -0.283  -3.094
 1943TIP3    H112138  -3.960  -0.238  -3.167
 1943TIP3    H212139  -3.973  -0.264  -3.019
 1944TIP3   OH212140  -3.167   0.698  -3.753
 1944TIP3    H112141  -3.201   0.666  -3.836
 1944TIP3    H212142  -3.217   0.780  -3.738
 1945TIP3   OH212143  -3.627   0.504  -3.072
 1945TIP3    H112144  -3.702   0.565  -3.056
 1945TIP3    H212145  -3.562   0.559  -3.118
 1946TIP3   OH212146  -2.826  -0.230  -3.467
 1946TIP3    H112147  -2.878  -0.277  -3.401
 1946TIP3    H212148  -2.784  -0.161  -3.413
 1947TIP3   OH212149  -3.959  -0.079  -3.297
 1947TIP3    H112150  -3.892  -0.024  -3.250
 1947TIP3    H212151  -3.902  -0.116  -3.368
 1948TIP3   OH212152  -3.838   0.688  -3.010
 1948TIP3    H112153  -3.835   0.784  -3.026
 1948TIP3    H212154  -3.917   0.677  -2.954
 1949TIP3   OH212155  -4.183   0.653  -3.915
 1949TIP3    H112156  -4.259   0.671  -3.975
 1949TIP3    H212157  -4.198   0.714  -3.843
 1950TIP3   OH212158  -2.864   0.813  -3.211
 1950TIP3    H112159  -2.955   0.786  -3.228
 1950TIP3    H212160  -2.845   0.878  -3.280
 1951TIP3   OH212161  -2.816  -0.315  -3.093
 1951TIP3    H112162  -2.894  -0.266  -3.128
 1951TIP3    H212163  -2.746  -0.289  -3.155
 1952TIP3   OH212164  -3.507  -0.539  -3.383
 1952TIP3    H112165  -3.529  -0.634  -3.384
 1952TIP3    H212166  -3.587  -0.500  -3.343
 1953TIP3   OH212167  -3.018   0.997  -3.568
 1953TIP3    H112168  -2.978   0.914  -3.604
 1953TIP3    H212169  -2.946   1.061  -3.586
 1954TIP3   OH212170  -2.877   0.789  -3.713
 1954TIP3    H112171  -2.925   0.744  -3.784
 1954TIP3    H212172  -2.878   0.720  -3.645
 1955TIP3   OH212173  -2.726   0.669  -2.881
 1955TIP3    H112174  -2.737   0.592  -2.941
 1955TIP3    H212175  -2.697   0.738  -2.942
 1956TIP3   OH212176  -3.300   0.351  -3.919
 1956TIP3    H112177  -3.364   0.415  -3.956
 1956TIP3    H212178  -3.225   0.358  -3.980
 1957TIP3   OH212179  -3.276   0.179  -4.210
 1957TIP3    H112180  -3.211   0.207  -4.143
 1957TIP3    H212181  -3.220   0.118  -4.263
 1958TIP3   OH212182  -2.545   0.289  -3.078
 1958TIP3    H112183  -2.625   0.344  -3.068
 1958TIP3    H212184  -2.505   0.326  -3.159
 1959TIP3   OH212185  -2.935   0.353  -3.796
 1959TIP3    H112186  -3.009   0.372  -3.734
 1959TIP3    H212187  -2.878   0.297  -3.741
 1960TIP3   OH212188  -2.960   0.206  -2.920
 1960TIP3    H112189  -2.950   0.281  -2.859
 1960TIP3    H212190  -3.028   0.240  -2.979
 1961TIP3   OH212191  -3.784   0.433  -3.615
 1961TIP3    H112192  -3.814   0.388  -3.697
 1961TIP3    H212193  -3.719   0.369  -3.580
 1962TIP3   OH212194  -3.643   0.771  -3.340
 1962TIP3    H112195  -3.654   0.733  -3.428
 1962TIP3    H212196  -3.566   0.722  -3.307
 1963TIP3   OH212197  -3.733   0.323  -3.269
 1963TIP3    H112198  -3.672   0.314  -3.345
 1963TIP3    H212199  -3.680   0.377  -3.207
 1964TIP3   OH212200  -3.639   0.753  -2.786
 1964TIP3    H112201  -3.692   0.811  -2.730
 1964TIP3    H212202  -3.704   0.717  -2.848
 1965TIP3   OH212203  -3.037   0.306  -4.056
 1965TIP3    H112204  -2.994   0.327  -3.971
 1965TIP3    H212205  -2.974   0.346  -4.120
 1966TIP3   OH212206  -3.958   0.392  -2.873
 1966TIP3    H112207  -3.950   0.442  -2.790
 1966TIP3    H212208  -4.055   0.377  -2.875
 1967TIP3   OH212209  -3.338   0.970  -3.663
 1967TIP3    H112210  -3.245   0.980  -3.642
 1967TIP3    H212211  -3.354   1.042  -3.726
 1968TIP3   OH212212  -3.837   0.964  -2.698
 1968TIP3    H112213  -3.845   0.968  -2.795
 1968TIP3    H212214  -3.927   0.945  -2.668
 1969TIP3   OH212215  -2.694  -0.534  -4.075
 1969TIP3    H112216  -2.789  -0.523  -4.055
 1969TIP3    H212217  -2.670  -0.444  -4.101
 1970TIP3   OH212218  -3.893   0.306  -3.868
 1970TIP3    H112219  -3.920   0.382  -3.921
 1970TIP3    H212220  -3.970   0.248  -3.877
 1971TIP3   OH212221  -2.582   0.900  -4.253
 1971TIP3    H112222  -2.557   0.977  -4.200
 1971TIP3    H212223  -2.512   0.835  -4.236
 1972TIP3   OH212224  -2.444   0.930  -2.723
 1972TIP3    H112225  -2.454   0.833  -2.737
 1972TIP3    H212226  -2.534   0.952  -2.690
 1973TIP3   OH212227  -3.385   0.858  -2.845
 1973TIP3    H112228  -3.372   0.932  -2.784
 1973TIP3    H212229  -3.471   0.821  -2.816
 1974TIP3   OH212230  -3.352   1.233  -3.845
 1974TIP3    H112231  -3.350   1.242  -3.941
 1974TIP3    H212232  -3.342   1.325  -3.815
 1975TIP3   OH212233  -3.977   1.147  -3.679
 1975TIP3    H112234  -3.953   1.106  -3.594
 1975TIP3    H212235  -4.054   1.093  -3.704
 1976TIP3   OH212236  -3.059   1.219  -4.026
 1976TIP3    H112237  -3.098   1.146  -4.075
 1976TIP3    H212238  -2.980   1.175  -3.994
 1977TIP3   OH212239  -3.098   1.023  -3.840
 1977TIP3    H112240  -3.144   1.108  -3.848
 1977TIP3    H212241  -3.040   1.035  -3.763
 1978TIP3   OH212242  -4.104   0.685  -2.887
 1978TIP3    H112243  -4.059   0.682  -2.800
 1978TIP3    H212244  -4.171   0.616  -2.872
 1979TIP3   OH212245  -3.748  -0.423  -3.290
 1979TIP3    H112246  -3.831  -0.431  -3.341
 1979TIP3    H212247  -3.771  -0.349  -3.231
 1980TIP3   OH212248  -3.310  -0.472  -2.928
 1980TIP3    H112249  -3.259  -0.517  -2.859
 1980TIP3    H212250  -3.402  -0.501  -2.911
 1981TIP3   OH212251  -3.009  -0.089  -2.896
 1981TIP3    H112252  -3.027  -0.105  -2.802
 1981TIP3    H212253  -2.989   0.006  -2.897
 1982TIP3   OH212254  -2.816   0.386  -4.251
 1982TIP3    H112255  -2.859   0.365  -4.334
 1982TIP3    H212256  -2.784   0.476  -4.271
 1983TIP3   OH212257  -3.329  -0.225  -4.216
 1983TIP3    H112258  -3.382  -0.222  -4.136
 1983TIP3    H212259  -3.372  -0.296  -4.265
 1984TIP3   OH212260  -3.768   0.057  -3.152
 1984TIP3    H112261  -3.812   0.071  -3.066
 1984TIP3    H212262  -3.753   0.148  -3.183
 1985TIP3   OH212263  -3.771   0.062  -3.660
 1985TIP3    H112264  -3.866   0.054  -3.680
 1985TIP3    H212265  -3.733   0.046  -3.749
 1986TIP3   OH212266  -3.201   0.109  -3.793
 1986TIP3    H112267  -3.240   0.196  -3.815
 1986TIP3    H212268  -3.135   0.098  -3.862
 1987TIP3   OH212269  -3.277   0.140  -2.632
 1987TIP3    H112270  -3.327   0.059  -2.606
 1987TIP3    H212271  -3.185   0.113  -2.617
 1988TIP3   OH212272  -3.128   0.054  -3.502
 1988TIP3    H112273  -3.144   0.122  -3.569
 1988TIP3    H212274  -3.103  -0.021  -3.558
 1989TIP3   OH212275  -4.030   0.074  -2.961
 1989TIP3    H112276  -3.986   0.109  -2.883
 1989TIP3    H212277  -4.060  -0.012  -2.928
 1990TIP3   OH212278  -3.651  -0.187  -4.311
 1990TIP3    H112279  -3.688  -0.215  -4.225
 1990TIP3    H212280  -3.727  -0.136  -4.347
 1991TIP3   OH212281  -4.316  -0.169  -3.598
 1991TIP3    H112282  -4.305  -0.195  -3.505
 1991TIP3    H212283  -4.283  -0.246  -3.645
 1992TIP3   OH212284  -4.213  -0.105  -4.014
 1992TIP3    H112285  -4.149  -0.100  -4.086
 1992TIP3    H212286  -4.297  -0.090  -4.059
 1993TIP3   OH212287  -3.230   0.226  -3.029
 1993TIP3    H112288  -3.182   0.196  -3.109
 1993TIP3    H212289  -3.237   0.144  -2.979
 1994TIP3   OH212290  -3.492  -0.178  -3.557
 1994TIP3    H112291  -3.584  -0.180  -3.527
 1994TIP3    H212292  -3.444  -0.189  -3.473
 1995TIP3   OH212293  -4.037  -0.052  -3.695
 1995TIP3    H112294  -4.123  -0.052  -3.739
 1995TIP3    H212295  -3.998  -0.135  -3.729
 1996TIP3   OH212296  -3.673  -0.020  -3.925
 1996TIP3    H112297  -3.577  -0.014  -3.913
 1996TIP3    H212298  -3.693   0.045  -3.994
 1997TIP3   OH212299  -3.055  -0.266  -3.260
 1997TIP3    H112300  -3.115  -0.263  -3.182
 1997TIP3    H212301  -3.119  -0.293  -3.328
 1998TIP3   OH212302  -3.817   0.101  -4.163
 1998TIP3    H112303  -3.874   0.046  -4.219
 1998TIP3    H212304  -3.738   0.114  -4.217
 1999TIP3   OH212305  -2.753   1.316  -2.590
 1999TIP3    H112306  -2.727   1.359  -2.673
 1999TIP3    H212307  -2.683   1.345  -2.530
 2000TIP3   OH212308  -3.950   0.588  -2.650
 2000TIP3    H112309  -3.889   0.582  -2.574
 2000TIP3    H212310  -4.036   0.590  -2.602
 2001TIP3   OH212311  -3.400   0.083  -3.377
 2001TIP3    H112312  -3.311   0.068  -3.412
 2001TIP3    H212313  -3.398   0.030  -3.295
 2002TIP3   OH212314  -3.872  -0.286  -3.755
 2002TIP3    H112315  -3.915  -0.372  -3.748
 2002TIP3    H212316  -3.787  -0.310  -3.795
 2003TIP3   OH212317  -3.497  -0.084  -3.151
 2003TIP3    H112318  -3.565  -0.016  -3.151
 2003TIP3    H212319  -3.438  -0.058  -3.077
 2004TIP3   OH212320  -3.478   0.565  -3.961
 2004TIP3    H112321  -3.554   0.512  -3.994
 2004TIP3    H212322  -3.495   0.567  -3.864
 2005TIP3   OH212323  -2.786   0.476  -3.105
 2005TIP3    H112324  -2.734   0.522  -3.172
 2005TIP3    H212325  -2.870   0.459  -3.152
 2006TIP3   OH212326  -3.062  -0.159  -4.188
 2006TIP3    H112327  -3.160  -0.163  -4.185
 2006TIP3    H212328  -3.039  -0.086  -4.126
 2007TIP3   OH212329  -3.319   0.567  -2.838
 2007TIP3    H112330  -3.336   0.525  -2.753
 2007TIP3    H212331  -3.349   0.658  -2.825
 2008TIP3   OH212332  -3.000   0.023  -3.990
 2008TIP3    H112333  -2.915   0.005  -3.945
 2008TIP3    H212334  -2.983   0.111  -4.030
 2009TIP3   OH212335  -3.968   0.500  -3.388
 2009TIP3    H112336  -3.907   0.484  -3.463
 2009TIP3    H212337  -3.960   0.416  -3.340
 2010TIP3   OH212338  -3.235   0.695  -4.073
 2010TIP3    H112339  -3.258   0.782  -4.034
 2010TIP3    H212340  -3.310   0.642  -4.042
 2011TIP3   OH212341  -4.232   0.365  -2.834
 2011TIP3    H112342  -4.226   0.299  -2.763
 2011TIP3    H212343  -4.286   0.318  -2.901
 2012TIP3   OH212344  -3.538   0.278  -2.657
 2012TIP3    H112345  -3.563   0.254  -2.747
 2012TIP3    H212346  -3.445   0.248  -2.655
 2013TIP3   OH212347  -3.086   0.882  -2.881
 2013TIP3    H112348  -3.165   0.829  -2.905
 2013TIP3    H212349  -3.072   0.851  -2.789
 2014TIP3   OH212350  -2.527   0.032  -4.001
 2014TIP3    H112351  -2.593   0.015  -4.071
 2014TIP3    H212352  -2.516   0.128  -4.016
 2015TIP3   OH212353  -2.490   0.641  -2.727
 2015TIP3    H112354  -2.586   0.652  -2.746
 2015TIP3    H212355  -2.459   0.610  -2.815
 2016TIP3   OH212356  -2.698   0.891  -3.988
 2016TIP3    H112357  -2.737   0.815  -3.941
 2016TIP3    H212358  -2.680   0.852  -4.076
 2017TIP3   OH212359  -3.732   0.833  -3.643
 2017TIP3    H112360  -3.683   0.914  -3.664
 2017TIP3    H212361  -3.818   0.850  -3.682
 2018TIP3   OH212362  -4.148   0.308  -4.164
 2018TIP3    H112363  -4.077   0.370  -4.138
 2018TIP3    H212364  -4.220   0.369  -4.184
 2019TIP3   OH212365  -3.544   0.601  -3.693
 2019TIP3    H112366  -3.576   0.691  -3.674
 2019TIP3    H212367  -3.608   0.546  -3.646
 2020TIP3   OH212368  -3.527   1.025  -3.055
 2020TIP3    H112369  -3.471   1.103  -3.069
 2020TIP3    H212370  -3.470   0.971  -2.997
 2021TIP3   OH212371  -3.683   1.120  -3.735
 2021TIP3    H112372  -3.778   1.134  -3.725
 2021TIP3    H212373  -3.647   1.207  -3.708
 2022TIP3   OH212374  -3.173   0.659  -3.080
 2022TIP3    H112375  -3.218   0.599  -3.018
 2022TIP3    H212376  -3.136   0.594  -3.145
 2023TIP3   OH212377  -2.981   0.739  -4.198
 2023TIP3    H112378  -2.920   0.698  -4.133
 2023TIP3    H212379  -3.066   0.717  -4.156
 2024TIP3   OH212380  -2.883   1.058  -2.856
 2024TIP3    H112381  -2.959   0.998  -2.875
 2024TIP3    H212382  -2.893   1.133  -2.917
 2025TIP3   OH212383  -2.478   1.174  -4.153
 2025TIP3    H112384  -2.408   1.243  -4.142
 2025TIP3    H212385  -2.558   1.226  -4.133
 2026TIP3   OH212386  -4.130  -0.231  -2.871
 2026TIP3    H112387  -4.167  -0.177  -2.942
 2026TIP3    H212388  -4.115  -0.318  -2.909
 2027TIP3   OH212389  -2.870   0.592  -3.967
 2027TIP3    H112390  -2.898   0.519  -3.909
 2027TIP3    H212391  -2.773   0.586  -3.961
 2028TIP3   OH212392  -4.130   0.952  -3.046
 2028TIP3    H112393  -4.060   0.889  -3.027
 2028TIP3    H212394  -4.117   1.017  -2.975
 2029TIP3   OH212395  -3.519   0.833  -4.324
 2029TIP3    H112396  -3.481   0.749  -4.355
 2029TIP3    H212397  -3.576   0.802  -4.251
 2030TIP3   OH212398  -3.666   0.786  -4.073
 2030TIP3    H112399  -3.612   0.731  -4.015
 2030TIP3    H212400  -3.642   0.877  -4.047
 2031TIP3   OH212401  -3.987   0.525  -4.043
 2031TIP3    H112402  -4.059   0.564  -3.988
 2031TIP3    H212403  -3.938   0.605  -4.066
 2032TIP3   OH212404  -3.217  -0.225  -3.040
 2032TIP3    H112405  -3.152  -0.188  -2.977
 2032TIP3    H212406  -3.257  -0.299  -2.990
 2033TIP3   OH212407  -3.147  -0.269  -3.922
 2033TIP3    H112408  -3.117  -0.216  -3.997
 2033TIP3    H212409  -3.100  -0.228  -3.848
 2034TIP3   OH212410  -3.374   0.946  -4.023
 2034TIP3    H112411  -3.452   1.000  -4.003
 2034TIP3    H212412  -3.323   1.006  -4.079
 2035TIP3   OH212413  -3.408  -0.076  -3.815
 2035TIP3    H112414  -3.328  -0.021  -3.802
 2035TIP3    H212415  -3.433  -0.095  -3.722
 2036TIP3   OH212416  -3.373   0.008  -2.891
 2036TIP3    H112417  -3.355   0.064  -2.815
 2036TIP3    H212418  -3.312  -0.066  -2.878
 2037TIP3   OH212419  -3.343  -0.376  -3.726
 2037TIP3    H112420  -3.360  -0.311  -3.655
 2037TIP3    H212421  -3.270  -0.332  -3.773
 2038TIP3   OH212422  -3.648   1.066  -4.025
 2038TIP3    H112423  -3.645   1.152  -4.072
 2038TIP3    H212424  -3.661   1.093  -3.932
 2039TIP3   OH212425  -3.773  -0.269  -4.075
 2039TIP3    H112426  -3.771  -0.193  -4.014
 2039TIP3    H212427  -3.697  -0.321  -4.043
 2040TIP3   OH212428  -2.726  -0.206  -2.828
 2040TIP3    H112429  -2.806  -0.159  -2.799
 2040TIP3    H212430  -2.739  -0.207  -2.924
 2041TIP3   OH212431  -2.867   0.199  -3.418
 2041TIP3    H112432  -2.962   0.210  -3.401
 2041TIP3    H212433  -2.841   0.132  -3.352
 2042TIP3   OH212434  -3.934   0.817  -4.153
 2042TIP3    H112435  -3.848   0.840  -4.112
 2042TIP3    H212436  -3.902   0.770  -4.232
 2043TIP3   OH212437  -4.097   0.048  -4.280
 2043TIP3    H112438  -4.101   0.130  -4.228
 2043TIP3    H212439  -4.189   0.018  -4.283
 2044TIP3   OH212440  -2.812   1.094  -3.261
 2044TIP3    H112441  -2.802   1.171  -3.320
 2044TIP3    H212442  -2.718   1.077  -3.239
 2045TIP3   OH212443  -4.030  -0.473  -3.373
 2045TIP3    H112444  -4.058  -0.479  -3.466
 2045TIP3    H212445  -4.066  -0.556  -3.335
 2046TIP3   OH212446  -4.135   0.902  -3.738
 2046TIP3    H112447  -4.229   0.925  -3.745
 2046TIP3    H212448  -4.102   0.924  -3.826
 2047TIP3   OH212449  -4.213   1.166  -2.623
 2047TIP3    H112450  -4.149   1.167  -2.549
 2047TIP3    H212451  -4.219   1.069  -2.633
 2048TIP3   OH212452  -3.722   1.084  -2.453
 2048TIP3    H112453  -3.658   1.016  -2.427
 2048TIP3    H212454  -3.749   1.051  -2.540
 2049TIP3   OH212455  -3.302   1.013  -4.328
 2049TIP3    H112456  -3.386   0.962  -4.324
 2049TIP3    H212457  -3.242   0.941  -4.353
 2050TIP3   OH212458  -3.079   0.908  -2.586
 2050TIP3    H112459  -3.118   0.825  -2.553
 2050TIP3    H212460  -3.009   0.926  -2.522
 2051TIP3   OH212461  -2.797   0.948   4.200
 2051TIP3    H112462  -2.865   0.963   4.266
 2051TIP3    H212463  -2.729   1.008   4.233
 2052TIP3   OH212464  -4.198   0.573  -2.568
 2052TIP3    H112465  -4.188   0.479  -2.590
 2052TIP3    H212466  -4.291   0.590  -2.590
 2053TIP3   OH212467  -3.776   0.591  -4.310
 2053TIP3    H112468  -3.760   0.525  -4.241
 2053TIP3    H212469  -3.705   0.574  -4.372
 2054TIP3   OH212470  -3.542   0.556  -2.582
 2054TIP3    H112471  -3.565   0.583  -2.671
 2054TIP3    H212472  -3.526   0.460  -2.593
 2055TIP3   OH212473  -3.244   0.698  -4.349
 2055TIP3    H112474  -3.230   0.706  -4.253
 2055TIP3    H212475  -3.180   0.630  -4.374
 2056TIP3   OH212476  -3.004   0.519  -2.834
 2056TIP3    H112477  -2.926   0.561  -2.873
 2056TIP3    H212478  -3.076   0.576  -2.861
 2057TIP3   OH212479  -4.134   0.254  -2.595
 2057TIP3    H112480  -4.060   0.190  -2.605
 2057TIP3    H212481  -4.129   0.267  -2.499
 2058TIP3   OH212482  -3.675   0.389  -4.090
 2058TIP3    H112483  -3.734   0.342  -4.030
 2058TIP3    H212484  -3.638   0.316  -4.143
 2059TIP3   OH212485  -3.756   0.161  -2.868
 2059TIP3    H112486  -3.797   0.243  -2.834
 2059TIP3    H212487  -3.678   0.197  -2.915
 2060TIP3   OH212488  -3.554   0.200  -4.277
 2060TIP3    H112489  -3.546   0.171  -4.369
 2060TIP3    H212490  -3.459   0.196  -4.250
 2061TIP3   OH212491  -3.218   0.436  -2.502
 2061TIP3    H112492  -3.129   0.417  -2.537
 2061TIP3    H212493  -3.243   0.348  -2.469
 2062TIP3   OH212494  -3.700  -0.111  -2.741
 2062TIP3    H112495  -3.681  -0.176  -2.811
 2062TIP3    H212496  -3.707  -0.029  -2.792
 2063TIP3   OH212497  -3.656  -0.259  -2.996
 2063TIP3    H112498  -3.600  -0.209  -3.059
 2063TIP3    H212499  -3.744  -0.257  -3.038
 2064TIP3   OH212500  -3.509   0.279  -2.956
 2064TIP3    H112501  -3.418   0.265  -2.990
 2064TIP3    H212502  -3.528   0.369  -2.988
 2065TIP3   OH212503  -2.954   0.370  -2.615
 2065TIP3    H112504  -2.971   0.417  -2.700
 2065TIP3    H212505  -2.901   0.293  -2.644
 2066TIP3   OH212506  -3.885   0.083  -2.581
 2066TIP3    H112507  -3.936   0.004  -2.558
 2066TIP3    H212508  -3.800   0.046  -2.607
 2067TIP3   OH212509  -3.585  -0.529  -2.963
 2067TIP3    H112510  -3.601  -0.434  -2.979
 2067TIP3    H212511  -3.658  -0.570  -3.015
 2068TIP3   OH212512  -3.456  -0.068  -2.580
 2068TIP3    H112513  -3.486  -0.095  -2.492
 2068TIP3    H212514  -3.534  -0.093  -2.634
 2069TIP3   OH212515  -3.207  -0.179  -2.692
 2069TIP3    H112516  -3.291  -0.173  -2.645
 2069TIP3    H212517  -3.149  -0.225  -2.628
 2070TIP3   OH212518  -3.002  -0.334  -2.524
 2070TIP3    H112519  -3.040  -0.411  -2.481
 2070TIP3    H212520  -2.997  -0.268  -2.453
 2071TIP3   OH212521  -4.044  -0.208  -2.584
 2071TIP3    H112522  -3.981  -0.266  -2.630
 2071TIP3    H212523  -4.031  -0.237  -2.491
 2072TIP3   OH212524  -3.599  -0.571  -2.682
 2072TIP3    H112525  -3.554  -0.656  -2.671
 2072TIP3    H212526  -3.600  -0.563  -2.780
 2073TIP3   OH212527  -3.503  -0.391  -2.497
 2073TIP3    H112528  -3.534  -0.452  -2.567
 2073TIP3    H212529  -3.578  -0.329  -2.490
 2074TIP3   OH212530  -3.596   1.315  -4.170
 2074TIP3    H112531  -3.499   1.321  -4.164
 2074TIP3    H212532  -3.617   1.373  -4.245
 2075TIP3   OH212533  -4.190   0.760  -4.236
 2075TIP3    H112534  -4.104   0.777  -4.192
 2075TIP3    H212535  -4.176   0.674  -4.276
 2076TIP3   OH212536  -4.277   1.088  -3.525
 2076TIP3    H112537  -4.269   0.995  -3.499
 2076TIP3    H212538  -4.243   1.133  -3.446
 2077TIP3   OH212539  -2.518   1.207  -3.217
 2077TIP3    H112540  -2.497   1.192  -3.124
 2077TIP3    H212541  -2.431   1.228  -3.254
 2078TIP3   OH212542  -2.527   1.143  -2.934
 2078TIP3    H112543  -2.576   1.066  -2.969
 2078TIP3    H212544  -2.473   1.099  -2.867
 2079TIP3   OH212545  -2.725   0.688  -2.507
 2079TIP3    H112546  -2.812   0.687  -2.466
 2079TIP3    H212547  -2.681   0.765  -2.468
 2080TIP3   OH212548  -2.587   0.570  -3.929
 2080TIP3    H112549  -2.496   0.603  -3.915
 2080TIP3    H212550  -2.593   0.505  -3.857
 2081TIP3   OH212551  -2.542   0.368  -3.732
 2081TIP3    H112552  -2.610   0.313  -3.688
 2081TIP3    H212553  -2.476   0.382  -3.661
 2082TIP3   OH212554  -2.573   0.629  -3.234
 2082TIP3    H112555  -2.516   0.570  -3.286
 2082TIP3    H212556  -2.548   0.717  -3.265
 2083TIP3   OH212557  -2.692   0.923  -3.021
 2083TIP3    H112558  -2.760   0.943  -2.955
 2083TIP3    H212559  -2.743   0.871  -3.087
 2084TIP3   OH212560  -2.510   0.339  -4.109
 2084TIP3    H112561  -2.574   0.366  -4.176
 2084TIP3    H212562  -2.531   0.402  -4.038
 2085TIP3   OH212563  -2.689   0.078  -4.212
 2085TIP3    H112564  -2.661   0.149  -4.273
 2085TIP3    H212565  -2.660  -0.001  -4.258
 2086TIP3   OH212566  -2.741   0.181  -3.651
 2086TIP3    H112567  -2.757   0.086  -3.661
 2086TIP3    H212568  -2.780   0.196  -3.560
 2087TIP3   OH212569  -4.232   0.479  -3.241
 2087TIP3    H112570  -4.242   0.454  -3.334
 2087TIP3    H212571  -4.176   0.405  -3.208
 2088TIP3   OH212572  -2.672   0.386  -2.774
 2088TIP3    H112573  -2.629   0.310  -2.729
 2088TIP3    H212574  -2.629   0.462  -2.734
 2089TIP3   OH212575  -2.553   0.185  -2.632
 2089TIP3    H112576  -2.635   0.131  -2.625
 2089TIP3    H212577  -2.484   0.117  -2.623
 2090TIP3   OH212578  -2.768  -0.222  -4.323
 2090TIP3    H112579  -2.708  -0.268  -4.262
 2090TIP3    H212580  -2.848  -0.277  -4.321
 2091TIP3   OH212581  -2.768  -0.060  -3.839
 2091TIP3    H112582  -2.741  -0.154  -3.829
 2091TIP3    H212583  -2.686  -0.021  -3.871
 2092TIP3   OH212584  -2.736  -0.015  -3.287
 2092TIP3    H112585  -2.641   0.007  -3.288
 2092TIP3    H212586  -2.756   0.001  -3.193
 2093TIP3   OH212587  -2.722   0.062  -3.014
 2093TIP3    H112588  -2.803   0.094  -2.969
 2093TIP3    H212589  -2.673   0.146  -3.023
 2094TIP3   OH212590  -4.294  -0.077  -2.661
 2094TIP3    H112591  -4.203  -0.107  -2.640
 2094TIP3    H212592  -4.351  -0.124  -2.600
 2095TIP3   OH212593  -2.453  -0.518  -2.477
 2095TIP3    H112594  -2.427  -0.584  -2.544
 2095TIP3    H212595  -2.467  -0.438  -2.531
 2096TIP3   OH212596  -2.714  -0.338  -3.831
 2096TIP3    H112597  -2.705  -0.371  -3.740
 2096TIP3    H212598  -2.790  -0.389  -3.863
 2097TIP3   OH212599  -4.196  -0.214  -3.327
 2097TIP3    H112600  -4.162  -0.305  -3.331
 2097TIP3    H212601  -4.115  -0.162  -3.315
 2098TIP3   OH212602  -4.327   0.050  -3.241
 2098TIP3    H112603  -4.300  -0.014  -3.309
 2098TIP3    H212604  -4.291   0.131  -3.278
 2099TIP3   OH212605  -2.542  -0.315  -2.641
 2099TIP3    H112606  -2.624  -0.264  -2.645
 2099TIP3    H212607  -2.549  -0.361  -2.727
 2100TIP3   OH212608  -2.512  -0.299  -4.176
 2100TIP3    H112609  -2.485  -0.370  -4.235
 2100TIP3    H212610  -2.431  -0.247  -4.168
 2101TIP3   OH212611  -4.315  -0.338  -3.895
 2101TIP3    H112612  -4.400  -0.314  -3.935
 2101TIP3    H212613  -4.257  -0.267  -3.927
 2102TIP3   OH212614  -2.830   1.197  -3.649
 2102TIP3    H112615  -2.772   1.172  -3.723
 2102TIP3    H212616  -2.768   1.244  -3.592
 2103TIP3   OH212617  -4.295  -0.423  -3.053
 2103TIP3    H112618  -4.363  -0.458  -2.993
 2103TIP3    H212619  -4.340  -0.410  -3.137
 2104TIP3   OH212620  -4.114   0.900  -2.599
 2104TIP3    H112621  -4.185   0.847  -2.637
 2104TIP3    H212622  -4.122   0.870  -2.505
 2105TIP3   OH212623  -3.807   0.972  -3.002
 2105TIP3    H112624  -3.831   1.060  -3.035
 2105TIP3    H212625  -3.710   0.977  -3.016
 2106TIP3   OH212626  -3.354   1.109  -2.696
 2106TIP3    H112627  -3.342   1.085  -2.602
 2106TIP3    H212628  -3.266   1.143  -2.719
 2107TIP3   OH212629  -3.115   1.237  -2.789
 2107TIP3    H112630  -3.048   1.168  -2.782
 2107TIP3    H212631  -3.098   1.286  -2.706
 2108TIP3   OH212632  -2.628  -0.498  -2.860
 2108TIP3    H112633  -2.708  -0.460  -2.899
 2108TIP3    H212634  -2.625  -0.587  -2.899
 2109TIP3   OH212635  -4.077   1.269  -2.974
 2109TIP3    H112636  -4.140   1.326  -3.021
 2109TIP3    H212637  -4.098   1.289  -2.882
 2110TIP3   OH212638  -3.819   1.245  -3.110
 2110TIP3    H112639  -3.905   1.267  -3.069
 2110TIP3    H212640  -3.814   1.312  -3.181
 2111TIP3   OH212641  -3.291   1.234  -3.152
 2111TIP3    H112642  -3.348   1.270  -3.222
 2111TIP3    H212643  -3.304   1.302  -3.083
 2112TIP3   OH212644  -2.895   1.275  -3.063
 2112TIP3    H112645  -2.889   1.373  -3.062
 2112TIP3    H212646  -2.827   1.255  -3.131
 2113TIP3   OH212647  -4.128   1.152  -3.281
 2113TIP3    H112648  -4.137   1.110  -3.194
 2113TIP3    H212649  -4.047   1.109  -3.316
 2114TIP3   OH212650  -3.911   1.029  -3.420
 2114TIP3    H112651  -3.921   0.934  -3.405
 2114TIP3    H212652  -3.818   1.044  -3.394
 2115TIP3   OH212653  -3.627   1.070  -3.339
 2115TIP3    H112654  -3.610   0.978  -3.366
 2115TIP3    H212655  -3.623   1.061  -3.243
 2116TIP3   OH212656  -3.298  -0.342  -3.413
 2116TIP3    H112657  -3.367  -0.409  -3.397
 2116TIP3    H212658  -3.235  -0.390  -3.469
 2117TIP3   OH212659  -2.801  -0.548  -3.369
 2117TIP3    H112660  -2.727  -0.495  -3.402
 2117TIP3    H212661  -2.877  -0.506  -3.413
 2118TIP3   OH212662  -2.592  -0.431  -3.576
 2118TIP3    H112663  -2.520  -0.467  -3.630
 2118TIP3    H212664  -2.565  -0.338  -3.565
 2119TIP3   OH212665  -4.105  -0.482  -3.657
 2119TIP3    H112666  -4.181  -0.513  -3.709
 2119TIP3    H212667  -4.045  -0.559  -3.665
 2120TIP3   OH212668  -4.179  -0.515  -4.082
 2120TIP3    H112669  -4.130  -0.448  -4.133
 2120TIP3    H212670  -4.230  -0.461  -4.020
 2121TIP3   OH212671  -3.615  -0.486  -3.665
 2121TIP3    H112672  -3.525  -0.454  -3.679
 2121TIP3    H212673  -3.616  -0.496  -3.568
 2122TIP3   OH212674  -3.056  -0.483  -3.525
 2122TIP3    H112675  -3.030  -0.497  -3.617
 2122TIP3    H212676  -3.094  -0.570  -3.500
 2123TIP3   OH212677  -2.948  -0.485  -3.922
 2123TIP3    H112678  -3.027  -0.436  -3.950
 2123TIP3    H212679  -2.984  -0.576  -3.918
 2124TIP3   OH212680  -4.188   1.083  -3.975
 2124TIP3    H112681  -4.256   1.069  -4.041
 2124TIP3    H212682  -4.181   1.179  -3.974
 2125TIP3   OH212683  -4.010  -0.334  -4.231
 2125TIP3    H112684  -3.962  -0.400  -4.282
 2125TIP3    H212685  -3.939  -0.296  -4.176
 2126TIP3   OH212686  -3.503  -0.323  -3.959
 2126TIP3    H112687  -3.463  -0.377  -3.889
 2126TIP3    H212688  -3.477  -0.235  -3.927
 2127TIP3   OH212689  -3.316   1.242  -4.156
 2127TIP3    H112690  -3.226   1.276  -4.154
 2127TIP3    H212691  -3.313   1.178  -4.230
 2128TIP3   OH212692  -2.643   1.159  -3.881
 2128TIP3    H112693  -2.661   1.073  -3.925
 2128TIP3    H212694  -2.656   1.222  -3.955
 2129TIP3   OH212695  -3.863  -0.500  -2.541
 2129TIP3    H112696  -3.782  -0.537  -2.579
 2129TIP3    H212697  -3.902  -0.579  -2.499
 2130TIP3   OH212698  -3.977   1.181  -4.243
 2130TIP3    H112699  -4.013   1.209  -4.159
 2130TIP3    H212700  -3.914   1.113  -4.219
 2131TIP3   OH212701  -3.035  -0.618  -2.515
 2131TIP3    H112702  -3.028  -0.644  -2.421
 2131TIP3    H212703  -2.944  -0.592  -2.536
 2132TIP3   OH212704  -2.694   1.039  -2.642
 2132TIP3    H112705  -2.767   1.017  -2.702
 2132TIP3    H212706  -2.715   1.132  -2.620
 2133TIP3   OH212707  -1.274   0.404  -3.628
 2133TIP3    H112708  -1.276   0.500  -3.616
 2133TIP3    H212709  -1.352   0.391  -3.684
 2134TIP3   OH212710  -1.390   0.349  -3.319
 2134TIP3    H112711  -1.390   0.293  -3.240
 2134TIP3    H212712  -1.417   0.286  -3.388
 2135TIP3   OH212713  -2.141   0.307  -3.155
 2135TIP3    H112714  -2.146   0.232  -3.093
 2135TIP3    H212715  -2.073   0.361  -3.112
 2136TIP3   OH212716  -1.022   0.623  -3.488
 2136TIP3    H112717  -1.058   0.551  -3.435
 2136TIP3    H212718  -0.991   0.683  -3.419
 2137TIP3   OH212719  -2.076   0.772  -3.304
 2137TIP3    H112720  -2.101   0.680  -3.328
 2137TIP3    H212721  -1.984   0.758  -3.279
 2138TIP3   OH212722  -2.375   0.114  -3.765
 2138TIP3    H112723  -2.420   0.199  -3.752
 2138TIP3    H212724  -2.446   0.061  -3.802
 2139TIP3   OH212725  -2.295   0.359  -3.577
 2139TIP3    H112726  -2.283   0.274  -3.530
 2139TIP3    H212727  -2.212   0.364  -3.627
 2140TIP3   OH212728  -1.313   1.160  -3.427
 2140TIP3    H112729  -1.257   1.090  -3.466
 2140TIP3    H212730  -1.343   1.118  -3.345
 2141TIP3   OH212731  -1.540   0.601  -3.264
 2141TIP3    H112732  -1.510   0.528  -3.320
 2141TIP3    H212733  -1.459   0.614  -3.211
 2142TIP3   OH212734  -0.675  -0.247  -3.201
 2142TIP3    H112735  -0.651  -0.189  -3.127
 2142TIP3    H212736  -0.612  -0.218  -3.269
 2143TIP3   OH212737  -1.210   0.034  -3.213
 2143TIP3    H112738  -1.198  -0.062  -3.205
 2143TIP3    H212739  -1.221   0.044  -3.309
 2144TIP3   OH212740  -1.912  -0.166  -3.506
 2144TIP3    H112741  -1.900  -0.080  -3.550
 2144TIP3    H212742  -1.951  -0.218  -3.579
 2145TIP3   OH212743  -1.130  -0.152  -3.675
 2145TIP3    H112744  -1.074  -0.194  -3.608
 2145TIP3    H212745  -1.064  -0.106  -3.729
 2146TIP3   OH212746  -2.243   0.111  -3.455
 2146TIP3    H112747  -2.184   0.061  -3.396
 2146TIP3    H212748  -2.237   0.058  -3.537
 2147TIP3   OH212749  -1.705   0.246  -3.509
 2147TIP3    H112750  -1.636   0.191  -3.469
 2147TIP3    H212751  -1.757   0.179  -3.558
 2148TIP3   OH212752  -0.602  -0.111  -2.952
 2148TIP3    H112753  -0.663  -0.040  -2.978
 2148TIP3    H212754  -0.618  -0.115  -2.857
 2149TIP3   OH212755  -2.033  -0.288  -3.090
 2149TIP3    H112756  -2.074  -0.235  -3.160
 2149TIP3    H212757  -2.098  -0.275  -3.018
 2150TIP3   OH212758  -1.283   0.691  -3.750
 2150TIP3    H112759  -1.317   0.665  -3.836
 2150TIP3    H212760  -1.331   0.774  -3.733
 2151TIP3   OH212761  -1.739   0.502  -3.076
 2151TIP3    H112762  -1.814   0.560  -3.051
 2151TIP3    H212763  -1.679   0.564  -3.121
 2152TIP3   OH212764  -0.945  -0.224  -3.470
 2152TIP3    H112765  -0.987  -0.283  -3.405
 2152TIP3    H212766  -0.894  -0.165  -3.412
 2153TIP3   OH212767  -2.073  -0.082  -3.295
 2153TIP3    H112768  -2.009  -0.025  -3.248
 2153TIP3    H212769  -2.016  -0.119  -3.365
 2154TIP3   OH212770  -1.940   0.689  -3.003
 2154TIP3    H112771  -1.947   0.782  -3.033
 2154TIP3    H212772  -2.027   0.679  -2.961
 2155TIP3   OH212773  -2.309   0.659  -3.919
 2155TIP3    H112774  -2.332   0.702  -4.004
 2155TIP3    H212775  -2.296   0.734  -3.858
 2156TIP3   OH212776  -0.965   0.804  -3.236
 2156TIP3    H112777  -1.062   0.815  -3.236
 2156TIP3    H212778  -0.937   0.889  -3.276
 2157TIP3   OH212779  -0.933  -0.310  -3.085
 2157TIP3    H112780  -1.010  -0.270  -3.130
 2157TIP3    H212781  -0.860  -0.290  -3.148
 2158TIP3   OH212782  -1.620  -0.537  -3.381
 2158TIP3    H112783  -1.642  -0.632  -3.384
 2158TIP3    H212784  -1.702  -0.499  -3.343
 2159TIP3   OH212785  -1.137   0.999  -3.581
 2159TIP3    H112786  -1.090   0.919  -3.612
 2159TIP3    H212787  -1.067   1.067  -3.594
 2160TIP3   OH212788  -0.991   0.786  -3.719
 2160TIP3    H112789  -1.041   0.739  -3.788
 2160TIP3    H212790  -0.996   0.721  -3.646
 2161TIP3   OH212791  -0.840   0.670  -2.871
 2161TIP3    H112792  -0.847   0.600  -2.939
 2161TIP3    H212793  -0.821   0.749  -2.925
 2162TIP3   OH212794  -1.406   0.355  -3.905
 2162TIP3    H112795  -1.474   0.416  -3.940
 2162TIP3    H212796  -1.334   0.364  -3.970
 2163TIP3   OH212797  -1.389   0.180  -4.207
 2163TIP3    H112798  -1.321   0.210  -4.144
 2163TIP3    H212799  -1.335   0.118  -4.262
 2164TIP3   OH212800  -0.659   0.284  -3.076
 2164TIP3    H112801  -0.732   0.348  -3.066
 2164TIP3    H212802  -0.613   0.319  -3.155
 2165TIP3   OH212803  -1.058   0.357  -3.794
 2165TIP3    H112804  -1.127   0.377  -3.727
 2165TIP3    H212805  -0.999   0.299  -3.742
 2166TIP3   OH212806  -1.074   0.211  -2.908
 2166TIP3    H112807  -1.068   0.293  -2.857
 2166TIP3    H212808  -1.140   0.238  -2.974
 2167TIP3   OH212809  -1.897   0.435  -3.617
 2167TIP3    H112810  -1.930   0.390  -3.698
 2167TIP3    H212811  -1.835   0.369  -3.582
 2168TIP3   OH212812  -1.760   0.777  -3.343
 2168TIP3    H112813  -1.775   0.734  -3.429
 2168TIP3    H212814  -1.682   0.728  -3.310
 2169TIP3   OH212815  -1.840   0.315  -3.268
 2169TIP3    H112816  -1.781   0.318  -3.346
 2169TIP3    H212817  -1.799   0.381  -3.208
 2170TIP3   OH212818  -1.248   0.871  -3.206
 2170TIP3    H112819  -1.242   0.930  -3.130
 2170TIP3    H212820  -1.269   0.785  -3.167
 2171TIP3   OH212821  -1.749   0.756  -2.789
 2171TIP3    H112822  -1.807   0.812  -2.735
 2171TIP3    H212823  -1.812   0.720  -2.854
 2172TIP3   OH212824  -1.151   0.303  -4.057
 2172TIP3    H112825  -1.109   0.329  -3.972
 2172TIP3    H212826  -1.090   0.345  -4.121
 2173TIP3   OH212827  -2.066   0.391  -2.875
 2173TIP3    H112828  -2.061   0.440  -2.792
 2173TIP3    H212829  -2.161   0.369  -2.880
 2174TIP3   OH212830  -1.419   0.962  -3.695
 2174TIP3    H112831  -1.367   0.987  -3.619
 2174TIP3    H212832  -1.465   1.043  -3.719
 2175TIP3   OH212833  -1.947   0.969  -2.699
 2175TIP3    H112834  -1.957   0.967  -2.796
 2175TIP3    H212835  -2.035   0.939  -2.669
 2176TIP3   OH212836  -0.809  -0.535  -4.078
 2176TIP3    H112837  -0.904  -0.523  -4.055
 2176TIP3    H212838  -0.784  -0.444  -4.100
 2177TIP3   OH212839  -2.005   0.308  -3.863
 2177TIP3    H112840  -2.031   0.383  -3.920
 2177TIP3    H212841  -2.073   0.243  -3.886
 2178TIP3   OH212842  -0.705   0.895  -4.242
 2178TIP3    H112843  -0.672   0.983  -4.218
 2178TIP3    H212844  -0.626   0.839  -4.239
 2179TIP3   OH212845  -2.399   0.575  -2.990
 2179TIP3    H112846  -2.445   0.571  -3.076
 2179TIP3    H212847  -2.388   0.479  -2.971
 2180TIP3   OH212848  -2.395   0.872  -3.297
 2180TIP3    H112849  -2.306   0.835  -3.294
 2180TIP3    H212850  -2.397   0.925  -3.217
 2181TIP3   OH212851  -0.558   0.929  -2.722
 2181TIP3    H112852  -0.567   0.834  -2.738
 2181TIP3    H212853  -0.649   0.951  -2.691
 2182TIP3   OH212854  -1.494   0.884  -2.826
 2182TIP3    H112855  -1.490   0.955  -2.761
 2182TIP3    H212856  -1.580   0.842  -2.806
 2183TIP3   OH212857  -1.462   1.232  -3.846
 2183TIP3    H112858  -1.462   1.242  -3.943
 2183TIP3    H212859  -1.456   1.324  -3.815
 2184TIP3   OH212860  -2.085   1.147  -3.680
 2184TIP3    H112861  -2.066   1.102  -3.595
 2184TIP3    H212862  -2.166   1.102  -3.705
 2185TIP3   OH212863  -1.137   1.189  -4.146
 2185TIP3    H112864  -1.091   1.131  -4.210
 2185TIP3    H212865  -1.129   1.137  -4.065
 2186TIP3   OH212866  -1.189   1.124  -3.860
 2186TIP3    H112867  -1.283   1.136  -3.841
 2186TIP3    H212868  -1.167   1.051  -3.799
 2187TIP3   OH212869  -0.878   0.068  -2.674
 2187TIP3    H112870  -0.930   0.103  -2.747
 2187TIP3    H212871  -0.874  -0.027  -2.695
 2188TIP3   OH212872  -2.182   0.732  -2.863
 2188TIP3    H112873  -2.153   0.682  -2.784
 2188TIP3    H212874  -2.255   0.677  -2.897
 2189TIP3   OH212875  -1.862  -0.422  -3.289
 2189TIP3    H112876  -1.945  -0.429  -3.339
 2189TIP3    H212877  -1.885  -0.351  -3.228
 2190TIP3   OH212878  -1.424  -0.467  -2.927
 2190TIP3    H112879  -1.372  -0.516  -2.861
 2190TIP3    H212880  -1.515  -0.498  -2.911
 2191TIP3   OH212881  -1.110  -0.085  -2.873
 2191TIP3    H112882  -1.169  -0.102  -2.798
 2191TIP3    H212883  -1.117   0.012  -2.885
 2192TIP3   OH212884  -0.926   0.383  -4.252
 2192TIP3    H112885  -0.976   0.369  -4.334
 2192TIP3    H212886  -0.897   0.474  -4.266
 2193TIP3   OH212887  -1.442  -0.226  -4.216
 2193TIP3    H112888  -1.497  -0.222  -4.136
 2193TIP3    H212889  -1.487  -0.295  -4.266
 2194TIP3   OH212890  -1.876   0.056  -3.148
 2194TIP3    H112891  -1.934   0.065  -3.071
 2194TIP3    H212892  -1.871   0.147  -3.183
 2195TIP3   OH212893  -1.882   0.065  -3.661
 2195TIP3    H112894  -1.978   0.053  -3.675
 2195TIP3    H212895  -1.848   0.043  -3.750
 2196TIP3   OH212896  -1.314   0.118  -3.786
 2196TIP3    H112897  -1.355   0.201  -3.818
 2196TIP3    H212898  -1.250   0.098  -3.857
 2197TIP3   OH212899  -1.402   0.140  -2.647
 2197TIP3    H112900  -1.453   0.065  -2.610
 2197TIP3    H212901  -1.316   0.127  -2.603
 2198TIP3   OH212902  -1.235   0.059  -3.506
 2198TIP3    H112903  -1.263   0.116  -3.580
 2198TIP3    H212904  -1.215  -0.023  -3.556
 2199TIP3   OH212905  -2.138   0.072  -2.966
 2199TIP3    H112906  -2.118   0.102  -2.876
 2199TIP3    H212907  -2.178  -0.014  -2.948
 2200TIP3   OH212908  -1.766  -0.187  -4.313
 2200TIP3    H112909  -1.802  -0.213  -4.226
 2200TIP3    H212910  -1.842  -0.136  -4.349
 2201TIP3   OH212911  -2.453  -0.176  -3.604
 2201TIP3    H112912  -2.396  -0.184  -3.525
 2201TIP3    H212913  -2.404  -0.223  -3.673
 2202TIP3   OH212914  -2.300  -0.138  -4.039
 2202TIP3    H112915  -2.244  -0.088  -4.102
 2202TIP3    H212916  -2.368  -0.071  -4.017
 2203TIP3   OH212917  -1.324   0.228  -3.057
 2203TIP3    H112918  -1.281   0.155  -3.108
 2203TIP3    H212919  -1.360   0.178  -2.982
 2204TIP3   OH212920  -1.605  -0.178  -3.558
 2204TIP3    H112921  -1.700  -0.181  -3.535
 2204TIP3    H212922  -1.564  -0.197  -3.472
 2205TIP3   OH212923  -2.145  -0.054  -3.692
 2205TIP3    H112924  -2.230  -0.029  -3.733
 2205TIP3    H212925  -2.119  -0.135  -3.741
 2206TIP3   OH212926  -1.787  -0.017  -3.923
 2206TIP3    H112927  -1.690  -0.010  -3.916
 2206TIP3    H212928  -1.810   0.043  -3.996
 2207TIP3   OH212929  -1.166  -0.263  -3.257
 2207TIP3    H112930  -1.228  -0.263  -3.181
 2207TIP3    H212931  -1.225  -0.297  -3.326
 2208TIP3   OH212932  -1.929   0.100  -4.159
 2208TIP3    H112933  -1.991   0.048  -4.213
 2208TIP3    H212934  -1.854   0.113  -4.218
 2209TIP3   OH212935  -0.871   1.321  -2.589
 2209TIP3    H112936  -0.840   1.358  -2.673
 2209TIP3    H212937  -0.797   1.343  -2.530
 2210TIP3   OH212938  -2.071   0.583  -2.644
 2210TIP3    H112939  -2.008   0.583  -2.569
 2210TIP3    H212940  -2.154   0.569  -2.595
 2211TIP3   OH212941  -1.503   0.078  -3.375
 2211TIP3    H112942  -1.430   0.032  -3.420
 2211TIP3    H212943  -1.521   0.017  -3.300
 2212TIP3   OH212944  -1.972  -0.282  -3.765
 2212TIP3    H112945  -2.028  -0.359  -3.746
 2212TIP3    H212946  -1.889  -0.323  -3.793
 2213TIP3   OH212947  -1.605  -0.075  -3.152
 2213TIP3    H112948  -1.684  -0.019  -3.147
 2213TIP3    H212949  -1.557  -0.052  -3.070
 2214TIP3   OH212950  -1.592   0.562  -3.961
 2214TIP3    H112951  -1.668   0.511  -3.995
 2214TIP3    H212952  -1.611   0.566  -3.864
 2215TIP3   OH212953  -0.870   0.479  -3.087
 2215TIP3    H112954  -0.820   0.532  -3.152
 2215TIP3    H212955  -0.955   0.466  -3.132
 2216TIP3   OH212956  -1.176  -0.160  -4.185
 2216TIP3    H112957  -1.274  -0.164  -4.185
 2216TIP3    H212958  -1.155  -0.085  -4.126
 2217TIP3   OH212959  -1.425   0.575  -2.829
 2217TIP3    H112960  -1.455   0.529  -2.749
 2217TIP3    H212961  -1.466   0.662  -2.820
 2218TIP3   OH212962  -1.115   0.024  -3.988
 2218TIP3    H112963  -1.029   0.006  -3.946
 2218TIP3    H212964  -1.100   0.111  -4.029
 2219TIP3   OH212965  -2.075   0.503  -3.377
 2219TIP3    H112966  -2.022   0.488  -3.457
 2219TIP3    H212967  -2.071   0.417  -3.333
 2220TIP3   OH212968  -1.348   0.696  -4.069
 2220TIP3    H112969  -1.377   0.784  -4.037
 2220TIP3    H212970  -1.425   0.642  -4.042
 2221TIP3   OH212971  -2.348   0.326  -2.852
 2221TIP3    H112972  -2.341   0.282  -2.765
 2221TIP3    H212973  -2.420   0.275  -2.894
 2222TIP3   OH212974  -1.653   0.285  -2.656
 2222TIP3    H112975  -1.689   0.252  -2.740
 2222TIP3    H212976  -1.562   0.249  -2.661
 2223TIP3   OH212977  -1.201   0.836  -2.885
 2223TIP3    H112978  -1.298   0.836  -2.886
 2223TIP3    H212979  -1.182   0.843  -2.790
 2224TIP3   OH212980  -0.642   0.033  -3.999
 2224TIP3    H112981  -0.706   0.015  -4.071
 2224TIP3    H212982  -0.632   0.128  -4.016
 2225TIP3   OH212983  -0.604   0.636  -2.727
 2225TIP3    H112984  -0.699   0.653  -2.744
 2225TIP3    H212985  -0.572   0.613  -2.816
 2226TIP3   OH212986  -0.823   0.889  -3.990
 2226TIP3    H112987  -0.849   0.809  -3.942
 2226TIP3    H212988  -0.787   0.854  -4.073
 2227TIP3   OH212989  -1.104   0.423  -3.258
 2227TIP3    H112990  -1.197   0.404  -3.280
 2227TIP3    H212991  -1.060   0.349  -3.305
 2228TIP3   OH212992  -1.840   0.829  -3.653
 2228TIP3    H112993  -1.799   0.916  -3.666
 2228TIP3    H212994  -1.932   0.847  -3.676
 2229TIP3   OH212995  -2.233   0.320  -4.200
 2229TIP3    H112996  -2.179   0.386  -4.151
 2229TIP3    H212997  -2.323   0.340  -4.168
 2230TIP3   OH212998  -1.657   0.599  -3.690
 2230TIP3    H112999  -1.690   0.689  -3.675
 2230TIP3    H213000  -1.727   0.547  -3.648
 2231TIP3   OH213001  -1.639   1.022  -3.052
 2231TIP3    H113002  -1.582   1.094  -3.085
 2231TIP3    H213003  -1.577   0.973  -2.996
 2232TIP3   OH213004  -1.796   1.120  -3.733
 2232TIP3    H113005  -1.892   1.133  -3.724
 2232TIP3    H213006  -1.761   1.207  -3.708
 2233TIP3   OH213007  -1.299   0.602  -3.097
 2233TIP3    H113008  -1.330   0.572  -3.010
 2233TIP3    H213009  -1.227   0.539  -3.116
 2234TIP3   OH213010  -1.089   0.716  -4.196
 2234TIP3    H113011  -1.036   0.678  -4.124
 2234TIP3    H213012  -1.177   0.713  -4.155
 2235TIP3   OH213013  -1.010   1.062  -2.853
 2235TIP3    H113014  -1.083   1.013  -2.895
 2235TIP3    H213015  -1.000   1.139  -2.913
 2236TIP3   OH213016  -0.591   1.171  -4.139
 2236TIP3    H113017  -0.524   1.242  -4.145
 2236TIP3    H213018  -0.673   1.225  -4.131
 2237TIP3   OH213019  -2.220  -0.209  -2.894
 2237TIP3    H113020  -2.311  -0.178  -2.911
 2237TIP3    H213021  -2.236  -0.293  -2.847
 2238TIP3   OH213022  -0.985   0.588  -3.967
 2238TIP3    H113023  -1.012   0.517  -3.905
 2238TIP3    H213024  -0.888   0.585  -3.959
 2239TIP3   OH213025  -2.245   0.969  -3.050
 2239TIP3    H113026  -2.218   0.877  -3.035
 2239TIP3    H213027  -2.222   1.007  -2.965
 2240TIP3   OH213028  -1.635   0.832  -4.326
 2240TIP3    H113029  -1.596   0.748  -4.355
 2240TIP3    H213030  -1.691   0.802  -4.251
 2241TIP3   OH213031  -1.781   0.787  -4.074
 2241TIP3    H113032  -1.727   0.733  -4.014
 2241TIP3    H213033  -1.757   0.878  -4.047
 2242TIP3   OH213034  -2.092   0.523  -4.037
 2242TIP3    H113035  -2.168   0.564  -3.989
 2242TIP3    H213036  -2.045   0.603  -4.067
 2243TIP3   OH213037  -1.322  -0.224  -3.037
 2243TIP3    H113038  -1.263  -0.196  -2.966
 2243TIP3    H213039  -1.373  -0.297  -2.995
 2244TIP3   OH213040  -1.263  -0.269  -3.921
 2244TIP3    H113041  -1.233  -0.218  -3.998
 2244TIP3    H213042  -1.214  -0.227  -3.849
 2245TIP3   OH213043  -1.483   0.946  -4.027
 2245TIP3    H113044  -1.561   0.998  -4.003
 2245TIP3    H213045  -1.431   1.011  -4.076
 2246TIP3   OH213046  -1.520  -0.076  -3.815
 2246TIP3    H113047  -1.441  -0.020  -3.800
 2246TIP3    H213048  -1.549  -0.095  -3.724
 2247TIP3   OH213049  -1.478   0.013  -2.901
 2247TIP3    H113050  -1.477   0.063  -2.817
 2247TIP3    H213051  -1.429  -0.066  -2.875
 2248TIP3   OH213052  -1.457  -0.376  -3.724
 2248TIP3    H113053  -1.477  -0.308  -3.656
 2248TIP3    H213054  -1.386  -0.331  -3.774
 2249TIP3   OH213055  -1.763   1.065  -4.025
 2249TIP3    H113056  -1.759   1.151  -4.073
 2249TIP3    H213057  -1.776   1.093  -3.932
 2250TIP3   OH213058  -1.885  -0.269  -4.081
 2250TIP3    H113059  -1.894  -0.199  -4.013
 2250TIP3    H213060  -1.811  -0.321  -4.044
 2251TIP3   OH213061  -0.856  -0.185  -2.811
 2251TIP3    H113062  -0.952  -0.173  -2.826
 2251TIP3    H213063  -0.830  -0.210  -2.901
 2252TIP3   OH213064  -1.003   0.197  -3.409
 2252TIP3    H113065  -1.086   0.151  -3.434
 2252TIP3    H213066  -0.955   0.126  -3.361
 2253TIP3   OH213067  -2.051   0.823  -4.158
 2253TIP3    H113068  -1.968   0.847  -4.114
 2253TIP3    H213069  -2.016   0.769  -4.231
 2254TIP3   OH213070  -2.225   0.038  -4.258
 2254TIP3    H113071  -2.213   0.133  -4.239
 2254TIP3    H213072  -2.317   0.036  -4.289
 2255TIP3   OH213073  -0.905   1.085  -3.267
 2255TIP3    H113074  -0.918   1.166  -3.320
 2255TIP3    H213075  -0.811   1.095  -3.244
 2256TIP3   OH213076  -2.137  -0.469  -3.371
 2256TIP3    H113077  -2.159  -0.469  -3.467
 2256TIP3    H213078  -2.175  -0.553  -3.340
 2257TIP3   OH213079  -2.249   0.892  -3.742
 2257TIP3    H113080  -2.334   0.936  -3.729
 2257TIP3    H213081  -2.214   0.934  -3.821
 2258TIP3   OH213082  -2.312   1.173  -2.629
 2258TIP3    H113083  -2.254   1.142  -2.557
 2258TIP3    H213084  -2.350   1.087  -2.659
 2259TIP3   OH213085  -1.827   1.085  -2.461
 2259TIP3    H113086  -1.772   1.010  -2.434
 2259TIP3    H213087  -1.868   1.049  -2.542
 2260TIP3   OH213088  -1.421   1.015  -4.332
 2260TIP3    H113089  -1.501   0.959  -4.326
 2260TIP3    H213090  -1.354   0.948  -4.351
 2261TIP3   OH213091  -1.199   0.911  -2.581
 2261TIP3    H113092  -1.233   0.825  -2.549
 2261TIP3    H213093  -1.120   0.922  -2.524
 2262TIP3   OH213094  -1.026   0.982  -4.285
 2262TIP3    H113095  -0.980   0.911  -4.238
 2262TIP3    H213096  -0.954   1.038  -4.321
 2263TIP3   OH213097  -2.313   0.546  -2.523
 2263TIP3    H113098  -2.308   0.449  -2.537
 2263TIP3    H213099  -2.393   0.568  -2.573
 2264TIP3   OH213100  -1.888   0.597  -4.306
 2264TIP3    H113101  -1.878   0.525  -4.243
 2264TIP3    H213102  -1.821   0.575  -4.373
 2265TIP3   OH213103  -1.652   0.559  -2.584
 2265TIP3    H113104  -1.684   0.583  -2.672
 2265TIP3    H213105  -1.642   0.461  -2.592
 2266TIP3   OH213106  -1.360   0.696  -4.348
 2266TIP3    H113107  -1.342   0.709  -4.253
 2266TIP3    H213108  -1.294   0.630  -4.372
 2267TIP3   OH213109  -1.117   0.516  -2.843
 2267TIP3    H113110  -1.037   0.568  -2.862
 2267TIP3    H213111  -1.187   0.582  -2.846
 2268TIP3   OH213112  -2.233   0.253  -2.596
 2268TIP3    H113113  -2.169   0.179  -2.596
 2268TIP3    H213114  -2.239   0.268  -2.500
 2269TIP3   OH213115  -1.786   0.386  -4.088
 2269TIP3    H113116  -1.849   0.341  -4.030
 2269TIP3    H213117  -1.752   0.313  -4.143
 2270TIP3   OH213118  -1.863   0.162  -2.855
 2270TIP3    H113119  -1.917   0.240  -2.834
 2270TIP3    H213120  -1.799   0.199  -2.918
 2271TIP3   OH213121  -1.668   0.199  -4.276
 2271TIP3    H113122  -1.663   0.171  -4.369
 2271TIP3    H213123  -1.573   0.196  -4.251
 2272TIP3   OH213124  -1.334   0.438  -2.503
 2272TIP3    H113125  -1.244   0.413  -2.530
 2272TIP3    H213126  -1.362   0.358  -2.456
 2273TIP3   OH213127  -1.803  -0.105  -2.741
 2273TIP3    H113128  -1.800  -0.173  -2.811
 2273TIP3    H213129  -1.828  -0.025  -2.792
 2274TIP3   OH213130  -1.771  -0.262  -2.997
 2274TIP3    H113131  -1.721  -0.209  -3.062
 2274TIP3    H213132  -1.863  -0.258  -3.032
 2275TIP3   OH213133  -1.616   0.285  -2.957
 2275TIP3    H113134  -1.533   0.274  -3.005
 2275TIP3    H213135  -1.647   0.371  -2.989
 2276TIP3   OH213136  -1.158   0.072  -2.474
 2276TIP3    H113137  -1.135  -0.022  -2.467
 2276TIP3    H213138  -1.071   0.112  -2.482
 2277TIP3   OH213139  -1.062   0.357  -2.625
 2277TIP3    H113140  -1.096   0.417  -2.695
 2277TIP3    H213141  -0.973   0.339  -2.660
 2278TIP3   OH213142  -1.980   0.080  -2.556
 2278TIP3    H113143  -2.037   0.001  -2.551
 2278TIP3    H213144  -1.902   0.045  -2.603
 2279TIP3   OH213145  -1.699  -0.528  -2.962
 2279TIP3    H113146  -1.717  -0.433  -2.977
 2279TIP3    H213147  -1.770  -0.569  -3.015
 2280TIP3   OH213148  -1.575  -0.069  -2.582
 2280TIP3    H113149  -1.607  -0.094  -2.494
 2280TIP3    H213150  -1.654  -0.090  -2.635
 2281TIP3   OH213151  -1.319  -0.169  -2.697
 2281TIP3    H113152  -1.407  -0.163  -2.654
 2281TIP3    H213153  -1.272  -0.228  -2.635
 2282TIP3   OH213154  -1.141  -0.310  -2.512
 2282TIP3    H113155  -1.151  -0.407  -2.501
 2282TIP3    H213156  -1.155  -0.277  -2.421
 2283TIP3   OH213157  -2.116  -0.178  -2.576
 2283TIP3    H113158  -2.127  -0.250  -2.640
 2283TIP3    H213159  -2.139  -0.223  -2.492
 2284TIP3   OH213160  -1.716  -0.581  -2.680
 2284TIP3    H113161  -1.656  -0.656  -2.674
 2284TIP3    H213162  -1.718  -0.564  -2.776
 2285TIP3   OH213163  -1.618  -0.391  -2.500
 2285TIP3    H113164  -1.653  -0.451  -2.568
 2285TIP3    H213165  -1.689  -0.326  -2.489
 2286TIP3   OH213166  -1.708   1.312  -4.171
 2286TIP3    H113167  -1.612   1.326  -4.162
 2286TIP3    H213168  -1.732   1.372  -4.243
 2287TIP3   OH213169  -2.323   0.722  -4.195
 2287TIP3    H113170  -2.231   0.753  -4.200
 2287TIP3    H213171  -2.331   0.664  -4.273
 2288TIP3   OH213172  -2.422   1.270  -3.719
 2288TIP3    H113173  -2.494   1.233  -3.775
 2288TIP3    H213174  -2.414   1.202  -3.650
 2289TIP3   OH213175  -2.388   1.075  -3.519
 2289TIP3    H113176  -2.412   0.985  -3.490
 2289TIP3    H213177  -2.348   1.107  -3.436
 2290TIP3   OH213178  -0.631   1.204  -3.218
 2290TIP3    H113179  -0.612   1.195  -3.124
 2290TIP3    H213180  -0.544   1.228  -3.253
 2291TIP3   OH213181  -0.641   1.144  -2.931
 2291TIP3    H113182  -0.692   1.069  -2.967
 2291TIP3    H213183  -0.585   1.097  -2.867
 2292TIP3   OH213184  -0.842   0.688  -2.506
 2292TIP3    H113185  -0.924   0.683  -2.454
 2292TIP3    H213186  -0.794   0.762  -2.467
 2293TIP3   OH213187  -0.700   0.569  -3.930
 2293TIP3    H113188  -0.611   0.605  -3.916
 2293TIP3    H213189  -0.705   0.506  -3.856
 2294TIP3   OH213190  -0.655   0.370  -3.732
 2294TIP3    H113191  -0.722   0.315  -3.687
 2294TIP3    H213192  -0.587   0.383  -3.663
 2295TIP3   OH213193  -0.683   0.623  -3.235
 2295TIP3    H113194  -0.620   0.572  -3.289
 2295TIP3    H213195  -0.666   0.714  -3.266
 2296TIP3   OH213196  -0.812   0.920  -3.010
 2296TIP3    H113197  -0.886   0.951  -2.956
 2296TIP3    H213198  -0.857   0.880  -3.086
 2297TIP3   OH213199  -0.624   0.340  -4.109
 2297TIP3    H113200  -0.690   0.365  -4.175
 2297TIP3    H213201  -0.645   0.403  -4.039
 2298TIP3   OH213202  -0.803   0.077  -4.210
 2298TIP3    H113203  -0.780   0.149  -4.272
 2298TIP3    H213204  -0.775  -0.001  -4.259
 2299TIP3   OH213205  -0.862   0.185  -3.650
 2299TIP3    H113206  -0.870   0.090  -3.665
 2299TIP3    H213207  -0.899   0.195  -3.560
 2300TIP3   OH213208  -2.378   0.413  -3.281
 2300TIP3    H113209  -2.352   0.413  -3.375
 2300TIP3    H213210  -2.293   0.387  -3.239
 2301TIP3   OH213211  -0.801   0.380  -2.744
 2301TIP3    H113212  -0.732   0.316  -2.716
 2301TIP3    H213213  -0.754   0.464  -2.741
 2302TIP3   OH213214  -0.645   0.195  -2.614
 2302TIP3    H113215  -0.724   0.139  -2.632
 2302TIP3    H213216  -0.574   0.128  -2.615
 2303TIP3   OH213217  -0.882  -0.223  -4.324
 2303TIP3    H113218  -0.823  -0.268  -4.262
 2303TIP3    H213219  -0.964  -0.276  -4.320
 2304TIP3   OH213220  -0.882  -0.062  -3.836
 2304TIP3    H113221  -0.855  -0.156  -3.829
 2304TIP3    H213222  -0.800  -0.023  -3.873
 2305TIP3   OH213223  -0.851  -0.003  -3.289
 2305TIP3    H113224  -0.753   0.006  -3.290
 2305TIP3    H213225  -0.866  -0.001  -3.193
 2306TIP3   OH213226  -0.836   0.066  -3.010
 2306TIP3    H113227  -0.920   0.104  -2.978
 2306TIP3    H213228  -0.782   0.146  -3.026
 2307TIP3   OH213229  -2.381  -0.055  -2.642
 2307TIP3    H113230  -2.290  -0.088  -2.630
 2307TIP3    H213231  -2.434  -0.134  -2.624
 2308TIP3   OH213232  -0.571  -0.523  -2.476
 2308TIP3    H113233  -0.539  -0.588  -2.541
 2308TIP3    H213234  -0.575  -0.441  -2.529
 2309TIP3   OH213235  -0.829  -0.338  -3.831
 2309TIP3    H113236  -0.816  -0.374  -3.742
 2309TIP3    H213237  -0.905  -0.391  -3.862
 2310TIP3   OH213238  -2.307  -0.224  -3.365
 2310TIP3    H113239  -2.263  -0.309  -3.350
 2310TIP3    H213240  -2.242  -0.163  -3.323
 2311TIP3   OH213241  -2.451   0.043  -3.253
 2311TIP3    H113242  -2.397   0.043  -3.334
 2311TIP3    H213243  -2.419   0.121  -3.208
 2312TIP3   OH213244  -0.641  -0.316  -2.652
 2312TIP3    H113245  -0.727  -0.272  -2.643
 2312TIP3    H213246  -0.656  -0.368  -2.733
 2313TIP3   OH213247  -0.627  -0.299  -4.176
 2313TIP3    H113248  -0.600  -0.371  -4.234
 2313TIP3    H213249  -0.544  -0.248  -4.168
 2314TIP3   OH213250  -2.404  -0.324  -3.854
 2314TIP3    H113251  -2.500  -0.320  -3.870
 2314TIP3    H213252  -2.368  -0.262  -3.920
 2315TIP3   OH213253  -0.942   1.201  -3.641
 2315TIP3    H113254  -0.896   1.177  -3.723
 2315TIP3    H213255  -0.871   1.240  -3.589
 2316TIP3   OH213256  -2.404  -0.441  -3.038
 2316TIP3    H113257  -2.472  -0.454  -2.970
 2316TIP3    H213258  -2.451  -0.381  -3.099
 2317TIP3   OH213259  -2.202   0.889  -2.562
 2317TIP3    H113260  -2.266   0.867  -2.631
 2317TIP3    H213261  -2.249   0.862  -2.482
 2318TIP3   OH213262  -1.918   0.975  -3.000
 2318TIP3    H113263  -1.946   1.061  -3.034
 2318TIP3    H213264  -1.822   0.981  -3.018
 2319TIP3   OH213265  -1.287   1.227  -2.748
 2319TIP3    H113266  -1.244   1.164  -2.809
 2319TIP3    H213267  -1.210   1.259  -2.699
 2320TIP3   OH213268  -0.753  -0.490  -2.857
 2320TIP3    H113269  -0.835  -0.471  -2.906
 2320TIP3    H213270  -0.732  -0.580  -2.888
 2321TIP3   OH213271  -2.176   1.270  -2.966
 2321TIP3    H113272  -2.236   1.332  -3.012
 2321TIP3    H213273  -2.213   1.271  -2.878
 2322TIP3   OH213274  -1.920   1.250  -3.102
 2322TIP3    H113275  -2.007   1.268  -3.062
 2322TIP3    H213276  -1.916   1.317  -3.174
 2323TIP3   OH213277  -1.462   1.246  -3.154
 2323TIP3    H113278  -1.497   1.289  -3.233
 2323TIP3    H213279  -1.447   1.323  -3.096
 2324TIP3   OH213280  -1.227   1.129  -3.047
 2324TIP3    H113281  -1.308   1.154  -3.096
 2324TIP3    H213282  -1.164   1.197  -3.076
 2325TIP3   OH213283  -0.972   1.293  -3.046
 2325TIP3    H113284  -0.972   1.387  -3.071
 2325TIP3    H213285  -0.940   1.253  -3.128
 2326TIP3   OH213286  -2.221   1.148  -3.271
 2326TIP3    H113287  -2.223   1.098  -3.187
 2326TIP3    H213288  -2.146   1.103  -3.316
 2327TIP3   OH213289  -2.020   1.024  -3.427
 2327TIP3    H113290  -2.036   0.931  -3.402
 2327TIP3    H213291  -1.928   1.037  -3.397
 2328TIP3   OH213292  -1.743   1.070  -3.340
 2328TIP3    H113293  -1.725   0.976  -3.362
 2328TIP3    H213294  -1.738   1.066  -3.243
 2329TIP3   OH213295  -1.411  -0.341  -3.410
 2329TIP3    H113296  -1.480  -0.408  -3.394
 2329TIP3    H213297  -1.350  -0.388  -3.469
 2330TIP3   OH213298  -0.916  -0.540  -3.363
 2330TIP3    H113299  -0.840  -0.494  -3.403
 2330TIP3    H213300  -0.991  -0.509  -3.417
 2331TIP3   OH213301  -0.709  -0.429  -3.578
 2331TIP3    H113302  -0.636  -0.470  -3.627
 2331TIP3    H213303  -0.677  -0.337  -3.567
 2332TIP3   OH213304  -2.174  -0.469  -3.655
 2332TIP3    H113305  -2.261  -0.482  -3.698
 2332TIP3    H213306  -2.133  -0.556  -3.668
 2333TIP3   OH213307  -2.299  -0.514  -4.082
 2333TIP3    H113308  -2.239  -0.449  -4.126
 2333TIP3    H213309  -2.331  -0.461  -4.007
 2334TIP3   OH213310  -1.729  -0.487  -3.666
 2334TIP3    H113311  -1.637  -0.457  -3.678
 2334TIP3    H213312  -1.733  -0.495  -3.570
 2335TIP3   OH213313  -1.169  -0.483  -3.524
 2335TIP3    H113314  -1.144  -0.499  -3.616
 2335TIP3    H213315  -1.208  -0.569  -3.499
 2336TIP3   OH213316  -1.063  -0.484  -3.922
 2336TIP3    H113317  -1.143  -0.436  -3.950
 2336TIP3    H213318  -1.097  -0.576  -3.917
 2337TIP3   OH213319  -2.290   1.075  -3.963
 2337TIP3    H113320  -2.359   1.072  -4.031
 2337TIP3    H213321  -2.288   1.169  -3.943
 2338TIP3   OH213322  -2.129  -0.343  -4.231
 2338TIP3    H113323  -2.072  -0.401  -4.282
 2338TIP3    H213324  -2.064  -0.292  -4.180
 2339TIP3   OH213325  -1.617  -0.325  -3.960
 2339TIP3    H113326  -1.578  -0.377  -3.888
 2339TIP3    H213327  -1.595  -0.236  -3.928
 2340TIP3   OH213328  -1.410   1.240  -4.147
 2340TIP3    H113329  -1.313   1.249  -4.152
 2340TIP3    H213330  -1.423   1.177  -4.221
 2341TIP3   OH213331  -0.756   1.160  -3.880
 2341TIP3    H113332  -0.779   1.075  -3.923
 2341TIP3    H213333  -0.767   1.223  -3.953
 2342TIP3   OH213334  -2.195  -0.446  -2.704
 2342TIP3    H113335  -2.238  -0.524  -2.664
 2342TIP3    H213336  -2.104  -0.457  -2.672
 2343TIP3   OH213337  -1.957  -0.507  -2.526
 2343TIP3    H113338  -1.876  -0.544  -2.566
 2343TIP3    H213339  -1.994  -0.585  -2.483
 2344TIP3   OH213340  -2.088   1.183  -4.233
 2344TIP3    H113341  -2.130   1.206  -4.149
 2344TIP3    H213342  -2.025   1.114  -4.209
 2345TIP3   OH213343  -1.145  -0.594  -2.511
 2345TIP3    H113344  -1.145  -0.635  -2.422
 2345TIP3    H213345  -1.050  -0.598  -2.534
 2346TIP3   OH213346  -0.810   1.037  -2.641
 2346TIP3    H113347  -0.884   1.017  -2.701
 2346TIP3    H213348  -0.827   1.131  -2.622
 2347TIP3   OH213349   0.611   0.404  -3.627
 2347TIP3    H113350   0.611   0.501  -3.617
 2347TIP3    H213351   0.534   0.390  -3.684
 2348TIP3   OH213352   0.494   0.350  -3.319
 2348TIP3    H113353   0.495   0.293  -3.240
 2348TIP3    H213354   0.470   0.286  -3.388
 2349TIP3   OH213355  -0.256   0.308  -3.153
 2349TIP3    H113356  -0.259   0.232  -3.092
 2349TIP3    H213357  -0.186   0.361  -3.112
 2350TIP3   OH213358   0.863   0.623  -3.488
 2350TIP3    H113359   0.827   0.551  -3.435
 2350TIP3    H213360   0.894   0.683  -3.419
 2351TIP3   OH213361  -0.191   0.772  -3.305
 2351TIP3    H113362  -0.215   0.680  -3.329
 2351TIP3    H213363  -0.099   0.758  -3.278
 2352TIP3   OH213364  -0.489   0.113  -3.766
 2352TIP3    H113365  -0.533   0.199  -3.752
 2352TIP3    H213366  -0.561   0.062  -3.804
 2353TIP3   OH213367  -0.410   0.357  -3.579
 2353TIP3    H113368  -0.397   0.274  -3.529
 2353TIP3    H213369  -0.325   0.366  -3.623
 2354TIP3   OH213370   0.573   1.161  -3.431
 2354TIP3    H113371   0.629   1.088  -3.464
 2354TIP3    H213372   0.541   1.125  -3.347
 2355TIP3   OH213373   0.346   0.601  -3.265
 2355TIP3    H113374   0.377   0.527  -3.320
 2355TIP3    H213375   0.426   0.615  -3.211
 2356TIP3   OH213376   1.211  -0.248  -3.200
 2356TIP3    H113377   1.236  -0.188  -3.128
 2356TIP3    H213378   1.273  -0.219  -3.270
 2357TIP3   OH213379   0.676   0.034  -3.213
 2357TIP3    H113380   0.688  -0.063  -3.205
 2357TIP3    H213381   0.666   0.044  -3.309
 2358TIP3   OH213382  -0.028  -0.166  -3.505
 2358TIP3    H113383  -0.014  -0.080  -3.550
 2358TIP3    H213384  -0.065  -0.218  -3.579
 2359TIP3   OH213385   0.755  -0.150  -3.674
 2359TIP3    H113386   0.813  -0.194  -3.608
 2359TIP3    H213387   0.822  -0.107  -3.730
 2360TIP3   OH213388  -0.358   0.108  -3.454
 2360TIP3    H113389  -0.296   0.061  -3.396
 2360TIP3    H213390  -0.350   0.057  -3.536
 2361TIP3   OH213391   0.180   0.246  -3.509
 2361TIP3    H113392   0.250   0.192  -3.469
 2361TIP3    H213393   0.129   0.179  -3.557
 2362TIP3   OH213394   1.284  -0.112  -2.951
 2362TIP3    H113395   1.224  -0.040  -2.978
 2362TIP3    H213396   1.265  -0.117  -2.857
 2363TIP3   OH213397  -0.148  -0.289  -3.091
 2363TIP3    H113398  -0.189  -0.235  -3.160
 2363TIP3    H213399  -0.213  -0.276  -3.018
 2364TIP3   OH213400   0.598   0.688  -3.747
 2364TIP3    H113401   0.573   0.668  -3.838
 2364TIP3    H213402   0.555   0.773  -3.732
 2365TIP3   OH213403   0.146   0.502  -3.077
 2365TIP3    H113404   0.071   0.560  -3.051
 2365TIP3    H213405   0.207   0.565  -3.121
 2366TIP3   OH213406   0.940  -0.224  -3.470
 2366TIP3    H113407   0.900  -0.284  -3.405
 2366TIP3    H213408   0.992  -0.165  -3.413
 2367TIP3   OH213409  -0.188  -0.080  -3.295
 2367TIP3    H113410  -0.123  -0.024  -3.247
 2367TIP3    H213411  -0.130  -0.118  -3.364
 2368TIP3   OH213412  -0.056   0.689  -3.006
 2368TIP3    H113413  -0.061   0.783  -3.032
 2368TIP3    H213414  -0.142   0.679  -2.960
 2369TIP3   OH213415  -0.422   0.659  -3.919
 2369TIP3    H113416  -0.447   0.703  -4.003
 2369TIP3    H213417  -0.409   0.734  -3.857
 2370TIP3   OH213418   0.922   0.805  -3.234
 2370TIP3    H113419   0.825   0.816  -3.234
 2370TIP3    H213420   0.949   0.889  -3.275
 2371TIP3   OH213421   0.953  -0.307  -3.085
 2371TIP3    H113422   0.875  -0.270  -3.132
 2371TIP3    H213423   1.025  -0.290  -3.148
 2372TIP3   OH213424   0.265  -0.537  -3.382
 2372TIP3    H113425   0.243  -0.632  -3.385
 2372TIP3    H213426   0.184  -0.499  -3.342
 2373TIP3   OH213427   0.749   0.998  -3.584
 2373TIP3    H113428   0.797   0.918  -3.614
 2373TIP3    H213429   0.820   1.066  -3.592
 2374TIP3   OH213430   0.892   0.787  -3.717
 2374TIP3    H113431   0.850   0.739  -3.789
 2374TIP3    H213432   0.890   0.720  -3.645
 2375TIP3   OH213433   1.049   0.671  -2.872
 2375TIP3    H113434   1.039   0.600  -2.938
 2375TIP3    H213435   1.067   0.748  -2.927
 2376TIP3   OH213436   0.478   0.352  -3.908
 2376TIP3    H113437   0.415   0.418  -3.941
 2376TIP3    H213438   0.555   0.365  -3.967
 2377TIP3   OH213439   0.474   0.154  -4.196
 2377TIP3    H113440   0.540   0.185  -4.132
 2377TIP3    H213441   0.527   0.089  -4.248
 2378TIP3   OH213442   1.227   0.285  -3.075
 2378TIP3    H113443   1.154   0.349  -3.066
 2378TIP3    H213444   1.273   0.319  -3.154
 2379TIP3   OH213445   0.827   0.356  -3.794
 2379TIP3    H113446   0.759   0.376  -3.726
 2379TIP3    H213447   0.888   0.299  -3.742
 2380TIP3   OH213448   0.812   0.208  -2.910
 2380TIP3    H113449   0.816   0.289  -2.856
 2380TIP3    H213450   0.745   0.236  -2.975
 2381TIP3   OH213451  -0.012   0.434  -3.617
 2381TIP3    H113452  -0.042   0.388  -3.698
 2381TIP3    H213453   0.051   0.370  -3.580
 2382TIP3   OH213454   0.126   0.777  -3.343
 2382TIP3    H113455   0.112   0.733  -3.429
 2382TIP3    H213456   0.203   0.728  -3.309
 2383TIP3   OH213457   0.043   0.318  -3.270
 2383TIP3    H113458   0.105   0.318  -3.345
 2383TIP3    H213459   0.086   0.380  -3.207
 2384TIP3   OH213460   0.641   0.873  -3.205
 2384TIP3    H113461   0.642   0.933  -3.128
 2384TIP3    H213462   0.617   0.788  -3.165
 2385TIP3   OH213463   0.132   0.752  -2.788
 2385TIP3    H113464   0.078   0.812  -2.733
 2385TIP3    H213465   0.066   0.720  -2.852
 2386TIP3   OH213466   0.732   0.308  -4.056
 2386TIP3    H113467   0.777   0.330  -3.971
 2386TIP3    H213468   0.794   0.346  -4.121
 2387TIP3   OH213469  -0.179   0.394  -2.876
 2387TIP3    H113470  -0.172   0.441  -2.791
 2387TIP3    H213471  -0.273   0.370  -2.878
 2388TIP3   OH213472   0.464   0.961  -3.694
 2388TIP3    H113473   0.517   0.987  -3.618
 2388TIP3    H213474   0.420   1.043  -3.719
 2389TIP3   OH213475  -0.062   0.967  -2.701
 2389TIP3    H113476  -0.073   0.967  -2.797
 2389TIP3    H213477  -0.149   0.938  -2.668
 2390TIP3   OH213478   1.078  -0.534  -4.075
 2390TIP3    H113479   0.982  -0.523  -4.057
 2390TIP3    H213480   1.102  -0.444  -4.102
 2391TIP3   OH213481  -0.117   0.306  -3.868
 2391TIP3    H113482  -0.145   0.383  -3.919
 2391TIP3    H213483  -0.189   0.243  -3.885
 2392TIP3   OH213484   1.180   0.884  -4.236
 2392TIP3    H113485   1.209   0.976  -4.222
 2392TIP3    H213486   1.264   0.836  -4.242
 2393TIP3   OH213487  -0.517   0.575  -2.990
 2393TIP3    H113488  -0.559   0.571  -3.078
 2393TIP3    H213489  -0.500   0.481  -2.971
 2394TIP3   OH213490  -0.509   0.870  -3.297
 2394TIP3    H113491  -0.418   0.837  -3.293
 2394TIP3    H213492  -0.512   0.927  -3.219
 2395TIP3   OH213493   1.325   0.930  -2.719
 2395TIP3    H113494   1.316   0.834  -2.735
 2395TIP3    H213495   1.235   0.951  -2.687
 2396TIP3   OH213496   0.393   0.857  -2.839
 2396TIP3    H113497   0.397   0.938  -2.787
 2396TIP3    H213498   0.303   0.823  -2.815
 2397TIP3   OH213499   0.427   1.232  -3.846
 2397TIP3    H113500   0.420   1.242  -3.942
 2397TIP3    H213501   0.429   1.324  -3.815
 2398TIP3   OH213502  -0.198   1.147  -3.680
 2398TIP3    H113503  -0.182   1.101  -3.594
 2398TIP3    H213504  -0.281   1.105  -3.706
 2399TIP3   OH213505   0.734   1.206  -4.103
 2399TIP3    H113506   0.782   1.163  -4.174
 2399TIP3    H213507   0.743   1.143  -4.028
 2400TIP3   OH213508   0.696   1.103  -3.850
 2400TIP3    H113509   0.604   1.128  -3.832
 2400TIP3    H213510   0.714   1.043  -3.776
 2401TIP3   OH213511   1.007   0.065  -2.682
 2401TIP3    H113512   0.952   0.105  -2.751
 2401TIP3    H213513   1.008  -0.029  -2.709
 2402TIP3   OH213514  -0.297   0.732  -2.863
 2402TIP3    H113515  -0.267   0.683  -2.783
 2402TIP3    H213516  -0.368   0.675  -2.897
 2403TIP3   OH213517   0.024  -0.423  -3.289
 2403TIP3    H113518  -0.060  -0.430  -3.338
 2403TIP3    H213519   0.001  -0.352  -3.227
 2404TIP3   OH213520   0.463  -0.466  -2.924
 2404TIP3    H113521   0.512  -0.520  -2.859
 2404TIP3    H213522   0.371  -0.495  -2.913
 2405TIP3   OH213523   0.768  -0.088  -2.867
 2405TIP3    H113524   0.717  -0.097  -2.785
 2405TIP3    H213525   0.767   0.007  -2.884
 2406TIP3   OH213526   0.949   0.384  -4.247
 2406TIP3    H113527   0.916   0.359  -4.334
 2406TIP3    H213528   0.990   0.469  -4.269
 2407TIP3   OH213529   0.442  -0.225  -4.216
 2407TIP3    H113530   0.390  -0.225  -4.135
 2407TIP3    H213531   0.399  -0.296  -4.265
 2408TIP3   OH213532   0.007   0.056  -3.148
 2408TIP3    H113533  -0.045   0.067  -3.066
 2408TIP3    H213534   0.014   0.149  -3.180
 2409TIP3   OH213535   0.003   0.065  -3.661
 2409TIP3    H113536  -0.093   0.052  -3.676
 2409TIP3    H213537   0.038   0.043  -3.749
 2410TIP3   OH213538   0.572   0.117  -3.786
 2410TIP3    H113539   0.531   0.200  -3.820
 2410TIP3    H213540   0.637   0.098  -3.855
 2411TIP3   OH213541   0.470   0.129  -2.620
 2411TIP3    H113542   0.424   0.050  -2.587
 2411TIP3    H213543   0.559   0.116  -2.581
 2412TIP3   OH213544   0.650   0.059  -3.506
 2412TIP3    H113545   0.623   0.116  -3.580
 2412TIP3    H213546   0.672  -0.023  -3.555
 2413TIP3   OH213547  -0.258   0.075  -2.962
 2413TIP3    H113548  -0.224   0.101  -2.875
 2413TIP3    H213549  -0.289  -0.015  -2.944
 2414TIP3   OH213550   0.120  -0.179  -4.311
 2414TIP3    H113551   0.086  -0.213  -4.226
 2414TIP3    H213552   0.040  -0.137  -4.348
 2415TIP3   OH213553  -0.569  -0.178  -3.602
 2415TIP3    H113554  -0.510  -0.184  -3.525
 2415TIP3    H213555  -0.520  -0.222  -3.673
 2416TIP3   OH213556  -0.415  -0.138  -4.040
 2416TIP3    H113557  -0.359  -0.088  -4.102
 2416TIP3    H213558  -0.482  -0.071  -4.017
 2417TIP3   OH213559   0.561   0.227  -3.057
 2417TIP3    H113560   0.604   0.155  -3.108
 2417TIP3    H213561   0.523   0.177  -2.983
 2418TIP3   OH213562   0.280  -0.177  -3.558
 2418TIP3    H113563   0.186  -0.183  -3.533
 2418TIP3    H213564   0.324  -0.197  -3.473
 2419TIP3   OH213565  -0.260  -0.054  -3.693
 2419TIP3    H113566  -0.344  -0.030  -3.734
 2419TIP3    H213567  -0.234  -0.135  -3.740
 2420TIP3   OH213568   0.099  -0.018  -3.926
 2420TIP3    H113569   0.195  -0.016  -3.912
 2420TIP3    H213570   0.083   0.053  -3.989
 2421TIP3   OH213571   0.720  -0.264  -3.257
 2421TIP3    H113572   0.657  -0.263  -3.181
 2421TIP3    H213573   0.662  -0.297  -3.327
 2422TIP3   OH213574  -0.051   0.113  -4.175
 2422TIP3    H113575  -0.107   0.044  -4.214
 2422TIP3    H213576   0.034   0.098  -4.215
 2423TIP3   OH213577  -0.186   0.582  -2.644
 2423TIP3    H113578  -0.121   0.584  -2.571
 2423TIP3    H213579  -0.268   0.572  -2.592
 2424TIP3   OH213580   0.382   0.077  -3.375
 2424TIP3    H113581   0.456   0.033  -3.420
 2424TIP3    H213582   0.365   0.017  -3.300
 2425TIP3   OH213583  -0.087  -0.282  -3.767
 2425TIP3    H113584  -0.142  -0.359  -3.746
 2425TIP3    H213585  -0.002  -0.322  -3.791
 2426TIP3   OH213586   0.280  -0.076  -3.151
 2426TIP3    H113587   0.201  -0.020  -3.147
 2426TIP3    H213588   0.330  -0.053  -3.071
 2427TIP3   OH213589   0.295   0.562  -3.961
 2427TIP3    H113590   0.218   0.509  -3.993
 2427TIP3    H213591   0.276   0.568  -3.864
 2428TIP3   OH213592   1.016   0.479  -3.086
 2428TIP3    H113593   1.065   0.532  -3.153
 2428TIP3    H213594   0.931   0.466  -3.132
 2429TIP3   OH213595   0.710  -0.168  -4.172
 2429TIP3    H113596   0.613  -0.162  -4.185
 2429TIP3    H213597   0.733  -0.086  -4.124
 2430TIP3   OH213598   0.465   0.569  -2.829
 2430TIP3    H113599   0.431   0.525  -2.750
 2430TIP3    H213600   0.423   0.656  -2.824
 2431TIP3   OH213601   0.770   0.028  -3.986
 2431TIP3    H113602   0.856   0.006  -3.946
 2431TIP3    H213603   0.788   0.113  -4.030
 2432TIP3   OH213604  -0.193   0.501  -3.379
 2432TIP3    H113605  -0.135   0.489  -3.456
 2432TIP3    H213606  -0.182   0.416  -3.332
 2433TIP3   OH213607   0.540   0.697  -4.049
 2433TIP3    H113608   0.507   0.786  -4.024
 2433TIP3    H213609   0.461   0.643  -4.028
 2434TIP3   OH213610  -0.466   0.329  -2.849
 2434TIP3    H113611  -0.449   0.283  -2.764
 2434TIP3    H213612  -0.527   0.268  -2.894
 2435TIP3   OH213613   0.221   0.295  -2.639
 2435TIP3    H113614   0.174   0.241  -2.704
 2435TIP3    H213615   0.299   0.240  -2.620
 2436TIP3   OH213616   0.692   0.843  -2.881
 2436TIP3    H113617   0.596   0.830  -2.893
 2436TIP3    H213618   0.700   0.840  -2.784
 2437TIP3   OH213619   1.241   0.034  -3.998
 2437TIP3    H113620   1.180   0.014  -4.071
 2437TIP3    H213621   1.254   0.129  -4.017
 2438TIP3   OH213622   1.284   0.636  -2.724
 2438TIP3    H113623   1.189   0.653  -2.742
 2438TIP3    H213624   1.316   0.612  -2.814
 2439TIP3   OH213625   1.062   0.890  -3.988
 2439TIP3    H113626   1.040   0.808  -3.943
 2439TIP3    H213627   1.096   0.859  -4.074
 2440TIP3   OH213628   0.781   0.423  -3.258
 2440TIP3    H113629   0.688   0.404  -3.280
 2440TIP3    H213630   0.826   0.349  -3.305
 2441TIP3   OH213631   0.045   0.829  -3.656
 2441TIP3    H113632   0.087   0.916  -3.665
 2441TIP3    H213633  -0.047   0.849  -3.674
 2442TIP3   OH213634  -0.348   0.323  -4.203
 2442TIP3    H113635  -0.294   0.385  -4.150
 2442TIP3    H213636  -0.438   0.340  -4.168
 2443TIP3   OH213637   0.227   0.599  -3.694
 2443TIP3    H113638   0.197   0.690  -3.675
 2443TIP3    H213639   0.160   0.547  -3.647
 2444TIP3   OH213640   0.245   1.026  -3.053
 2444TIP3    H113641   0.303   1.097  -3.085
 2444TIP3    H213642   0.306   0.973  -3.000
 2445TIP3   OH213643   0.089   1.118  -3.731
 2445TIP3    H113644  -0.007   1.133  -3.725
 2445TIP3    H213645   0.123   1.207  -3.708
 2446TIP3   OH213646   0.588   0.603  -3.096
 2446TIP3    H113647   0.555   0.570  -3.010
 2446TIP3    H213648   0.659   0.540  -3.116
 2447TIP3   OH213649   0.784   0.720  -4.210
 2447TIP3    H113650   0.852   0.698  -4.144
 2447TIP3    H213651   0.706   0.714  -4.153
 2448TIP3   OH213652   0.862   1.099  -2.823
 2448TIP3    H113653   0.796   1.034  -2.857
 2448TIP3    H213654   0.880   1.148  -2.906
 2449TIP3   OH213655   1.294   1.174  -4.158
 2449TIP3    H113656   1.363   1.243  -4.150
 2449TIP3    H213657   1.215   1.227  -4.136
 2450TIP3   OH213658  -0.334  -0.207  -2.896
 2450TIP3    H113659  -0.426  -0.180  -2.914
 2450TIP3    H213660  -0.347  -0.289  -2.845
 2451TIP3   OH213661   0.900   0.592  -3.966
 2451TIP3    H113662   0.873   0.519  -3.907
 2451TIP3    H213663   0.997   0.586  -3.961
 2452TIP3   OH213664  -0.359   0.969  -3.050
 2452TIP3    H113665  -0.330   0.877  -3.034
 2452TIP3    H213666  -0.336   1.008  -2.965
 2453TIP3   OH213667   0.239   0.828  -4.338
 2453TIP3    H113668   0.305   0.757  -4.350
 2453TIP3    H213669   0.204   0.808  -4.249
 2454TIP3   OH213670   0.109   0.784  -4.083
 2454TIP3    H113671   0.156   0.733  -4.015
 2454TIP3    H213672   0.125   0.876  -4.052
 2455TIP3   OH213673  -0.208   0.527  -4.041
 2455TIP3    H113674  -0.285   0.562  -3.990
 2455TIP3    H213675  -0.161   0.609  -4.059
 2456TIP3   OH213676   0.564  -0.225  -3.039
 2456TIP3    H113677   0.623  -0.194  -2.968
 2456TIP3    H213678   0.514  -0.298  -2.996
 2457TIP3   OH213679   0.617  -0.266  -3.920
 2457TIP3    H113680   0.653  -0.224  -4.001
 2457TIP3    H213681   0.674  -0.228  -3.851
 2458TIP3   OH213682   0.399   0.944  -4.031
 2458TIP3    H113683   0.322   0.996  -4.003
 2458TIP3    H213684   0.454   1.012  -4.072
 2459TIP3   OH213685   0.361  -0.073  -3.815
 2459TIP3    H113686   0.443  -0.022  -3.802
 2459TIP3    H213687   0.337  -0.095  -3.723
 2460TIP3   OH213688   0.414   0.018  -2.901
 2460TIP3    H113689   0.402   0.066  -2.817
 2460TIP3    H213690   0.456  -0.063  -2.869
 2461TIP3   OH213691   0.428  -0.375  -3.725
 2461TIP3    H113692   0.410  -0.309  -3.656
 2461TIP3    H213693   0.501  -0.332  -3.775
 2462TIP3   OH213694   0.129   1.061  -4.024
 2462TIP3    H113695   0.120   1.145  -4.075
 2462TIP3    H213696   0.108   1.091  -3.934
 2463TIP3   OH213697   0.000  -0.268  -4.081
 2463TIP3    H113698  -0.007  -0.201  -4.012
 2463TIP3    H213699   0.074  -0.323  -4.047
 2464TIP3   OH213700   1.027  -0.186  -2.811
 2464TIP3    H113701   0.931  -0.176  -2.826
 2464TIP3    H213702   1.053  -0.210  -2.901
 2465TIP3   OH213703   0.882   0.197  -3.408
 2465TIP3    H113704   0.800   0.151  -3.435
 2465TIP3    H213705   0.930   0.126  -3.361
 2466TIP3   OH213706  -0.172   0.822  -4.159
 2466TIP3    H113707  -0.094   0.862  -4.117
 2466TIP3    H213708  -0.131   0.772  -4.231
 2467TIP3   OH213709  -0.339   0.039  -4.259
 2467TIP3    H113710  -0.328   0.133  -4.238
 2467TIP3    H213711  -0.431   0.035  -4.288
 2468TIP3   OH213712   0.982   1.083  -3.271
 2468TIP3    H113713   0.967   1.166  -3.322
 2468TIP3    H213714   1.075   1.095  -3.246
 2469TIP3   OH213715  -0.255  -0.467  -3.371
 2469TIP3    H113716  -0.274  -0.470  -3.467
 2469TIP3    H213717  -0.289  -0.553  -3.339
 2470TIP3   OH213718  -0.366   0.887  -3.745
 2470TIP3    H113719  -0.447   0.936  -3.726
 2470TIP3    H213720  -0.331   0.936  -3.820
 2471TIP3   OH213721  -0.427   1.173  -2.627
 2471TIP3    H113722  -0.367   1.143  -2.556
 2471TIP3    H213723  -0.463   1.088  -2.657
 2472TIP3   OH213724   0.042   1.079  -2.448
 2472TIP3    H113725   0.111   1.013  -2.427
 2472TIP3    H213726   0.020   1.053  -2.539
 2473TIP3   OH213727   0.470   1.013  -4.331
 2473TIP3    H113728   0.387   0.962  -4.325
 2473TIP3    H213729   0.531   0.944  -4.363
 2474TIP3   OH213730   0.690   0.908  -2.586
 2474TIP3    H113731   0.648   0.826  -2.554
 2474TIP3    H213732   0.762   0.919  -2.521
 2475TIP3   OH213733   0.681   0.820   4.216
 2475TIP3    H113734   0.700   0.760   4.290
 2475TIP3    H213735   0.770   0.825   4.178
 2476TIP3   OH213736  -0.433   0.547  -2.522
 2476TIP3    H113737  -0.424   0.452  -2.538
 2476TIP3    H213738  -0.505   0.571  -2.583
 2477TIP3   OH213739   0.009   0.512  -4.353
 2477TIP3    H113740   0.009   0.505  -4.256
 2477TIP3    H213741   0.068   0.587  -4.368
 2478TIP3   OH213742   0.235   0.560  -2.584
 2478TIP3    H113743   0.200   0.582  -2.672
 2478TIP3    H213744   0.242   0.462  -2.590
 2479TIP3   OH213745   0.494   0.683  -4.313
 2479TIP3    H113746   0.522   0.701  -4.221
 2479TIP3    H213747   0.570   0.633  -4.346
 2480TIP3   OH213748   0.770   0.514  -2.844
 2480TIP3    H113749   0.846   0.571  -2.863
 2480TIP3    H213750   0.697   0.577  -2.844
 2481TIP3   OH213751  -0.339   0.250  -2.598
 2481TIP3    H113752  -0.271   0.180  -2.596
 2481TIP3    H213753  -0.347   0.271  -2.504
 2482TIP3   OH213754   0.099   0.391  -4.084
 2482TIP3    H113755   0.037   0.341  -4.028
 2482TIP3    H213756   0.122   0.324  -4.151
 2483TIP3   OH213757   0.024   0.164  -2.854
 2483TIP3    H113758  -0.028   0.242  -2.830
 2483TIP3    H213759   0.095   0.202  -2.909
 2484TIP3   OH213760   0.205   0.215  -4.318
 2484TIP3    H113761   0.240   0.163  -4.393
 2484TIP3    H213762   0.284   0.205  -4.260
 2485TIP3   OH213763   0.553   0.431  -2.501
 2485TIP3    H113764   0.642   0.408  -2.530
 2485TIP3    H213765   0.525   0.348  -2.461
 2486TIP3   OH213766   0.104  -0.099  -2.723
 2486TIP3    H113767   0.102  -0.168  -2.791
 2486TIP3    H213768   0.080  -0.019  -2.772
 2487TIP3   OH213769   0.112  -0.262  -2.993
 2487TIP3    H113770   0.162  -0.206  -3.055
 2487TIP3    H213771   0.020  -0.257  -3.027
 2488TIP3   OH213772   0.266   0.282  -2.958
 2488TIP3    H113773   0.353   0.275  -3.001
 2488TIP3    H213774   0.238   0.372  -2.984
 2489TIP3   OH213775   0.720   0.073  -2.484
 2489TIP3    H113776   0.743  -0.018  -2.465
 2489TIP3    H213777   0.805   0.118  -2.471
 2490TIP3   OH213778   0.824   0.355  -2.627
 2490TIP3    H113779   0.789   0.414  -2.697
 2490TIP3    H213780   0.913   0.337  -2.663
 2491TIP3   OH213781  -0.086   0.079  -2.559
 2491TIP3    H113782  -0.137   0.002  -2.529
 2491TIP3    H213783  -0.000   0.037  -2.577
 2492TIP3   OH213784   0.190  -0.525  -2.964
 2492TIP3    H113785   0.168  -0.430  -2.975
 2492TIP3    H213786   0.116  -0.567  -3.013
 2493TIP3   OH213787   0.536  -0.167  -2.674
 2493TIP3    H113788   0.449  -0.199  -2.646
 2493TIP3    H213789   0.595  -0.227  -2.625
 2494TIP3   OH213790   0.750  -0.308  -2.521
 2494TIP3    H113791   0.735  -0.404  -2.509
 2494TIP3    H213792   0.734  -0.271  -2.432
 2495TIP3   OH213793  -0.248  -0.184  -2.573
 2495TIP3    H113794  -0.242  -0.260  -2.634
 2495TIP3    H213795  -0.256  -0.228  -2.487
 2496TIP3   OH213796   0.174  -0.590  -2.673
 2496TIP3    H113797   0.240  -0.662  -2.668
 2496TIP3    H213798   0.178  -0.567  -2.768
 2497TIP3   OH213799   0.274  -0.367  -2.533
 2497TIP3    H113800   0.238  -0.451  -2.565
 2497TIP3    H213801   0.196  -0.320  -2.505
 2498TIP3   OH213802   0.180   1.314  -4.172
 2498TIP3    H113803   0.276   1.325  -4.164
 2498TIP3    H213804   0.156   1.373  -4.245
 2499TIP3   OH213805  -0.439   0.716  -4.197
 2499TIP3    H113806  -0.350   0.755  -4.197
 2499TIP3    H213807  -0.442   0.665  -4.279
 2500TIP3   OH213808  -0.539   1.273  -3.717
 2500TIP3    H113809  -0.607   1.234  -3.776
 2500TIP3    H213810  -0.529   1.202  -3.650
 2501TIP3   OH213811  -0.500   1.073  -3.520
 2501TIP3    H113812  -0.527   0.985  -3.489
 2501TIP3    H213813  -0.463   1.107  -3.436
 2502TIP3   OH213814   1.255   1.205  -3.219
 2502TIP3    H113815   1.275   1.196  -3.125
 2502TIP3    H213816   1.342   1.226  -3.256
 2503TIP3   OH213817   1.243   1.148  -2.927
 2503TIP3    H113818   1.192   1.075  -2.966
 2503TIP3    H213819   1.303   1.097  -2.869
 2504TIP3   OH213820   1.048   0.684  -2.505
 2504TIP3    H113821   0.962   0.680  -2.461
 2504TIP3    H213822   1.092   0.760  -2.463
 2505TIP3   OH213823   1.183   0.571  -3.929
 2505TIP3    H113824   1.273   0.606  -3.919
 2505TIP3    H213825   1.181   0.506  -3.856
 2506TIP3   OH213826   1.230   0.372  -3.731
 2506TIP3    H113827   1.164   0.315  -3.687
 2506TIP3    H213828   1.299   0.383  -3.663
 2507TIP3   OH213829   1.204   0.623  -3.234
 2507TIP3    H113830   1.265   0.571  -3.289
 2507TIP3    H213831   1.220   0.714  -3.267
 2508TIP3   OH213832   1.064   0.927  -3.005
 2508TIP3    H113833   0.986   0.942  -2.952
 2508TIP3    H213834   1.026   0.886  -3.085
 2509TIP3   OH213835   1.258   0.336  -4.106
 2509TIP3    H113836   1.199   0.367  -4.177
 2509TIP3    H213837   1.241   0.405  -4.039
 2510TIP3   OH213838   1.082   0.078  -4.213
 2510TIP3    H113839   1.113   0.148  -4.272
 2510TIP3    H213840   1.113  -0.001  -4.258
 2511TIP3   OH213841   1.023   0.185  -3.650
 2511TIP3    H113842   1.016   0.090  -3.667
 2511TIP3    H213843   0.986   0.194  -3.560
 2512TIP3   OH213844  -0.491   0.409  -3.280
 2512TIP3    H113845  -0.464   0.412  -3.373
 2512TIP3    H213846  -0.405   0.386  -3.238
 2513TIP3   OH213847   1.085   0.380  -2.742
 2513TIP3    H113848   1.155   0.317  -2.716
 2513TIP3    H213849   1.132   0.465  -2.741
 2514TIP3   OH213850   1.238   0.192  -2.616
 2514TIP3    H113851   1.161   0.136  -2.639
 2514TIP3    H213852   1.310   0.126  -2.616
 2515TIP3   OH213853   1.003  -0.220  -4.320
 2515TIP3    H113854   1.064  -0.269  -4.265
 2515TIP3    H213855   0.923  -0.276  -4.321
 2516TIP3   OH213856   1.004  -0.061  -3.836
 2516TIP3    H113857   1.031  -0.156  -3.829
 2516TIP3    H213858   1.085  -0.023  -3.873
 2517TIP3   OH213859   1.035  -0.003  -3.289
 2517TIP3    H113860   1.132   0.007  -3.291
 2517TIP3    H213861   1.020  -0.001  -3.193
 2518TIP3   OH213862   1.049   0.066  -3.008
 2518TIP3    H113863   0.965   0.105  -2.980
 2518TIP3    H213864   1.103   0.145  -3.026
 2519TIP3   OH213865  -0.497  -0.057  -2.643
 2519TIP3    H113866  -0.404  -0.083  -2.629
 2519TIP3    H213867  -0.542  -0.142  -2.628
 2520TIP3   OH213868   1.302  -0.514  -2.468
 2520TIP3    H113869   1.349  -0.579  -2.523
 2520TIP3    H213870   1.316  -0.431  -2.518
 2521TIP3   OH213871   1.056  -0.337  -3.830
 2521TIP3    H113872   1.069  -0.374  -3.741
 2521TIP3    H213873   0.981  -0.391  -3.863
 2522TIP3   OH213874  -0.422  -0.224  -3.362
 2522TIP3    H113875  -0.377  -0.309  -3.350
 2522TIP3    H213876  -0.355  -0.164  -3.324
 2523TIP3   OH213877  -0.569   0.044  -3.257
 2523TIP3    H113878  -0.509   0.040  -3.333
 2523TIP3    H213879  -0.532   0.118  -3.208
 2524TIP3   OH213880   1.248  -0.313  -2.658
 2524TIP3    H113881   1.160  -0.273  -2.649
 2524TIP3    H213882   1.233  -0.371  -2.735
 2525TIP3   OH213883   1.260  -0.300  -4.175
 2525TIP3    H113884   1.286  -0.370  -4.236
 2525TIP3    H213885   1.341  -0.247  -4.170
 2526TIP3   OH213886  -0.519  -0.323  -3.853
 2526TIP3    H113887  -0.614  -0.320  -3.871
 2526TIP3    H213888  -0.482  -0.262  -3.920
 2527TIP3   OH213889   0.943   1.202  -3.642
 2527TIP3    H113890   0.991   1.174  -3.721
 2527TIP3    H213891   1.014   1.240  -3.588
 2528TIP3   OH213892  -0.515  -0.437  -3.038
 2528TIP3    H113893  -0.583  -0.460  -2.973
 2528TIP3    H213894  -0.567  -0.383  -3.100
 2529TIP3   OH213895  -0.316   0.885  -2.566
 2529TIP3    H113896  -0.385   0.869  -2.631
 2529TIP3    H213897  -0.360   0.866  -2.483
 2530TIP3   OH213898  -0.032   0.973  -3.001
 2530TIP3    H113899  -0.061   1.059  -3.034
 2530TIP3    H213900   0.064   0.981  -3.017
 2531TIP3   OH213901   0.455   1.142  -2.702
 2531TIP3    H113902   0.443   1.101  -2.615
 2531TIP3    H213903   0.547   1.119  -2.722
 2532TIP3   OH213904   1.131  -0.491  -2.856
 2532TIP3    H113905   1.050  -0.473  -2.907
 2532TIP3    H213906   1.154  -0.581  -2.888
 2533TIP3   OH213907  -0.293   1.269  -2.967
 2533TIP3    H113908  -0.352   1.332  -3.010
 2533TIP3    H213909  -0.327   1.271  -2.876
 2534TIP3   OH213910  -0.042   1.248  -3.108
 2534TIP3    H113911  -0.127   1.265  -3.064
 2534TIP3    H213912  -0.040   1.316  -3.177
 2535TIP3   OH213913   0.427   1.242  -3.159
 2535TIP3    H113914   0.389   1.291  -3.235
 2535TIP3    H213915   0.436   1.312  -3.093
 2536TIP3   OH213916   0.656   1.127  -3.047
 2536TIP3    H113917   0.574   1.156  -3.092
 2536TIP3    H213918   0.716   1.200  -3.068
 2537TIP3   OH213919   0.915   1.290  -3.046
 2537TIP3    H113920   0.915   1.385  -3.069
 2537TIP3    H213921   0.945   1.252  -3.131
 2538TIP3   OH213922  -0.336   1.148  -3.272
 2538TIP3    H113923  -0.337   1.099  -3.186
 2538TIP3    H213924  -0.261   1.104  -3.316
 2539TIP3   OH213925  -0.134   1.024  -3.427
 2539TIP3    H113926  -0.150   0.930  -3.401
 2539TIP3    H213927  -0.043   1.038  -3.397
 2540TIP3   OH213928   0.142   1.070  -3.340
 2540TIP3    H113929   0.160   0.977  -3.361
 2540TIP3    H213930   0.148   1.067  -3.243
 2541TIP3   OH213931   0.474  -0.340  -3.412
 2541TIP3    H113932   0.405  -0.408  -3.395
 2541TIP3    H213933   0.536  -0.389  -3.469
 2542TIP3   OH213934   0.969  -0.539  -3.362
 2542TIP3    H113935   1.046  -0.495  -3.404
 2542TIP3    H213936   0.895  -0.509  -3.417
 2543TIP3   OH213937   1.177  -0.429  -3.576
 2543TIP3    H113938   1.249  -0.470  -3.627
 2543TIP3    H213939   1.209  -0.337  -3.567
 2544TIP3   OH213940  -0.289  -0.469  -3.655
 2544TIP3    H113941  -0.376  -0.483  -3.697
 2544TIP3    H213942  -0.247  -0.556  -3.667
 2545TIP3   OH213943  -0.414  -0.513  -4.082
 2545TIP3    H113944  -0.354  -0.450  -4.126
 2545TIP3    H213945  -0.445  -0.461  -4.006
 2546TIP3   OH213946   0.155  -0.485  -3.665
 2546TIP3    H113947   0.247  -0.457  -3.680
 2546TIP3    H213948   0.154  -0.495  -3.569
 2547TIP3   OH213949   0.716  -0.483  -3.524
 2547TIP3    H113950   0.742  -0.498  -3.616
 2547TIP3    H213951   0.678  -0.569  -3.499
 2548TIP3   OH213952   0.821  -0.484  -3.920
 2548TIP3    H113953   0.743  -0.439  -3.954
 2548TIP3    H213954   0.789  -0.576  -3.916
 2549TIP3   OH213955  -0.405   1.071  -3.957
 2549TIP3    H113956  -0.477   1.074  -4.023
 2549TIP3    H213957  -0.389   1.166  -3.945
 2550TIP3   OH213958  -0.243  -0.342  -4.230
 2550TIP3    H113959  -0.188  -0.402  -4.282
 2550TIP3    H213960  -0.176  -0.294  -4.179
 2551TIP3   OH213961   0.267  -0.324  -3.959
 2551TIP3    H113962   0.308  -0.378  -3.890
 2551TIP3    H213963   0.293  -0.236  -3.927
 2552TIP3   OH213964   0.463   1.241  -4.146
 2552TIP3    H113965   0.560   1.254  -4.138
 2552TIP3    H213966   0.461   1.181  -4.222
 2553TIP3   OH213967   1.138   1.155  -3.880
 2553TIP3    H113968   1.111   1.071  -3.923
 2553TIP3    H213969   1.112   1.221  -3.948
 2554TIP3   OH213970  -0.319  -0.448  -2.712
 2554TIP3    H113971  -0.359  -0.525  -2.670
 2554TIP3    H213972  -0.226  -0.459  -2.682
 2555TIP3   OH213973  -0.084  -0.517  -2.560
 2555TIP3    H113974   0.004  -0.545  -2.591
 2555TIP3    H213975  -0.093  -0.569  -2.479
 2556TIP3   OH213976  -0.166   1.193  -4.192
 2556TIP3    H113977  -0.257   1.211  -4.164
 2556TIP3    H213978  -0.167   1.106  -4.232
 2557TIP3   OH213979   0.741  -0.592  -2.507
 2557TIP3    H113980   0.738  -0.629  -2.418
 2557TIP3    H213981   0.836  -0.598  -2.529
 2558TIP3   OH213982   1.078   1.051  -2.640
 2558TIP3    H113983   1.002   1.036  -2.699
 2558TIP3    H213984   1.094   1.146  -2.648
 2559TIP3   OH213985   2.497   0.405  -3.628
 2559TIP3    H113986   2.495   0.501  -3.617
 2559TIP3    H213987   2.421   0.390  -3.685
 2560TIP3   OH213988   2.382   0.349  -3.319
 2560TIP3    H113989   2.381   0.292  -3.241
 2560TIP3    H213990   2.355   0.287  -3.389
 2561TIP3   OH213991   1.628   0.308  -3.153
 2561TIP3    H113992   1.627   0.232  -3.091
 2561TIP3    H213993   1.700   0.361  -3.115
 2562TIP3   OH213994   2.751   0.624  -3.488
 2562TIP3    H113995   2.713   0.552  -3.437
 2562TIP3    H213996   2.778   0.684  -3.418
 2563TIP3   OH213997   1.694   0.771  -3.302
 2563TIP3    H113998   1.671   0.680  -3.328
 2563TIP3    H213999   1.788   0.759  -3.281
 2564TIP3   OH214000   1.394   0.112  -3.761
 2564TIP3    H114001   1.353   0.199  -3.754
 2564TIP3    H214002   1.326   0.062  -3.808
 2565TIP3   OH214003   1.476   0.358  -3.577
 2565TIP3    H114004   1.490   0.273  -3.530
 2565TIP3    H214005   1.558   0.366  -3.627
 2566TIP3   OH214006   2.458   1.161  -3.430
 2566TIP3    H114007   2.514   1.088  -3.464
 2566TIP3    H214008   2.428   1.124  -3.346
 2567TIP3   OH214009   2.230   0.600  -3.263
 2567TIP3    H114010   2.262   0.528  -3.321
 2567TIP3    H214011   2.312   0.614  -3.211
 2568TIP3   OH214012   3.097  -0.246  -3.202
 2568TIP3    H114013   3.124  -0.187  -3.130
 2568TIP3    H214014   3.162  -0.221  -3.271
 2569TIP3   OH214015   2.560   0.034  -3.213
 2569TIP3    H114016   2.574  -0.062  -3.206
 2569TIP3    H214017   2.551   0.045  -3.309
 2570TIP3   OH214018   1.857  -0.166  -3.505
 2570TIP3    H114019   1.872  -0.081  -3.550
 2570TIP3    H214020   1.822  -0.218  -3.579
 2571TIP3   OH214021   2.641  -0.150  -3.674
 2571TIP3    H114022   2.699  -0.193  -3.607
 2571TIP3    H214023   2.707  -0.107  -3.730
 2572TIP3   OH214024   1.527   0.108  -3.454
 2572TIP3    H114025   1.589   0.060  -3.397
 2572TIP3    H214026   1.535   0.059  -3.537
 2573TIP3   OH214027   2.065   0.246  -3.508
 2573TIP3    H114028   2.135   0.191  -3.469
 2573TIP3    H214029   2.015   0.179  -3.559
 2574TIP3   OH214030   3.171  -0.109  -2.951
 2574TIP3    H114031   3.109  -0.040  -2.979
 2574TIP3    H214032   3.149  -0.116  -2.857
 2575TIP3   OH214033   1.738  -0.287  -3.090
 2575TIP3    H114034   1.697  -0.236  -3.161
 2575TIP3    H214035   1.673  -0.275  -3.018
 2576TIP3   OH214036   2.488   0.691  -3.750
 2576TIP3    H114037   2.456   0.666  -3.838
 2576TIP3    H214038   2.440   0.774  -3.733
 2577TIP3   OH214039   2.032   0.502  -3.076
 2577TIP3    H114040   1.958   0.561  -3.052
 2577TIP3    H214041   2.093   0.563  -3.121
 2578TIP3   OH214042   2.825  -0.224  -3.470
 2578TIP3    H114043   2.786  -0.285  -3.406
 2578TIP3    H214044   2.878  -0.166  -3.413
 2579TIP3   OH214045   1.698  -0.081  -3.295
 2579TIP3    H114046   1.763  -0.025  -3.249
 2579TIP3    H214047   1.755  -0.119  -3.366
 2580TIP3   OH214048   1.830   0.689  -3.003
 2580TIP3    H114049   1.825   0.781  -3.034
 2580TIP3    H214050   1.743   0.681  -2.960
 2581TIP3   OH214051   1.457   0.659  -3.918
 2581TIP3    H114052   1.442   0.700  -4.006
 2581TIP3    H214053   1.475   0.735  -3.859
 2582TIP3   OH214054   2.806   0.804  -3.237
 2582TIP3    H114055   2.709   0.815  -3.236
 2582TIP3    H214056   2.833   0.890  -3.275
 2583TIP3   OH214057   2.840  -0.306  -3.085
 2583TIP3    H114058   2.762  -0.270  -3.131
 2583TIP3    H214059   2.911  -0.290  -3.149
 2584TIP3   OH214060   2.152  -0.537  -3.381
 2584TIP3    H114061   2.129  -0.632  -3.385
 2584TIP3    H214062   2.070  -0.499  -3.342
 2585TIP3   OH214063   2.635   0.998  -3.580
 2585TIP3    H114064   2.682   0.918  -3.612
 2585TIP3    H214065   2.703   1.067  -3.594
 2586TIP3   OH214066   2.781   0.785  -3.720
 2586TIP3    H114067   2.730   0.739  -3.788
 2586TIP3    H214068   2.776   0.722  -3.646
 2587TIP3   OH214069   2.936   0.667  -2.871
 2587TIP3    H114070   2.924   0.601  -2.942
 2587TIP3    H214071   2.948   0.749  -2.922
 2588TIP3   OH214072   2.365   0.356  -3.904
 2588TIP3    H114073   2.297   0.415  -3.941
 2588TIP3    H214074   2.436   0.363  -3.970
 2589TIP3   OH214075   2.383   0.178  -4.206
 2589TIP3    H114076   2.452   0.210  -4.145
 2589TIP3    H214077   2.436   0.118  -4.262
 2590TIP3   OH214078   3.112   0.285  -3.076
 2590TIP3    H114079   3.039   0.349  -3.068
 2590TIP3    H214080   3.158   0.318  -3.155
 2591TIP3   OH214081   2.714   0.358  -3.794
 2591TIP3    H114082   2.644   0.377  -3.727
 2591TIP3    H214083   2.772   0.299  -3.742
 2592TIP3   OH214084   2.697   0.211  -2.910
 2592TIP3    H114085   2.701   0.293  -2.858
 2592TIP3    H214086   2.631   0.238  -2.976
 2593TIP3   OH214087   1.872   0.434  -3.616
 2593TIP3    H114088   1.841   0.391  -3.698
 2593TIP3    H214089   1.937   0.369  -3.583
 2594TIP3   OH214090   2.009   0.775  -3.342
 2594TIP3    H114091   1.997   0.736  -3.429
 2594TIP3    H214092   2.088   0.728  -3.310
 2595TIP3   OH214093   1.930   0.315  -3.267
 2595TIP3    H114094   1.987   0.317  -3.346
 2595TIP3    H214095   1.972   0.381  -3.208
 2596TIP3   OH214096   2.525   0.867  -3.209
 2596TIP3    H114097   2.528   0.932  -3.137
 2596TIP3    H214098   2.503   0.784  -3.163
 2597TIP3   OH214099   2.015   0.748  -2.783
 2597TIP3    H114100   1.962   0.814  -2.736
 2597TIP3    H214101   1.952   0.719  -2.852
 2598TIP3   OH214102   2.621   0.303  -4.057
 2598TIP3    H114103   2.663   0.328  -3.972
 2598TIP3    H214104   2.680   0.346  -4.121
 2599TIP3   OH214105   1.708   0.390  -2.874
 2599TIP3    H114106   1.712   0.443  -2.792
 2599TIP3    H214107   1.613   0.370  -2.878
 2600TIP3   OH214108   2.353   0.961  -3.694
 2600TIP3    H114109   2.404   0.989  -3.617
 2600TIP3    H214110   2.306   1.042  -3.721
 2601TIP3   OH214111   1.825   0.967  -2.701
 2601TIP3    H114112   1.814   0.969  -2.798
 2601TIP3    H214113   1.737   0.938  -2.670
 2602TIP3   OH214114   2.964  -0.533  -4.075
 2602TIP3    H114115   2.868  -0.523  -4.056
 2602TIP3    H214116   2.987  -0.443  -4.102
 2603TIP3   OH214117   1.763   0.309  -3.860
 2603TIP3    H114118   1.742   0.384  -3.920
 2603TIP3    H214119   1.699   0.243  -3.889
 2604TIP3   OH214120   3.072   0.903  -4.253
 2604TIP3    H114121   3.098   0.982  -4.204
 2604TIP3    H214122   3.142   0.838  -4.235
 2605TIP3   OH214123   1.369   0.575  -2.990
 2605TIP3    H114124   1.326   0.573  -3.077
 2605TIP3    H214125   1.385   0.480  -2.973
 2606TIP3   OH214126   1.376   0.870  -3.296
 2606TIP3    H114127   1.467   0.837  -3.294
 2606TIP3    H214128   1.375   0.928  -3.219
 2607TIP3   OH214129   3.214   0.929  -2.721
 2607TIP3    H114130   3.203   0.834  -2.737
 2607TIP3    H214131   3.123   0.952  -2.691
 2608TIP3   OH214132   2.279   0.852  -2.839
 2608TIP3    H114133   2.286   0.934  -2.787
 2608TIP3    H214134   2.188   0.822  -2.817
 2609TIP3   OH214135   2.308   1.232  -3.846
 2609TIP3    H114136   2.309   1.239  -3.943
 2609TIP3    H214137   2.316   1.325  -3.817
 2610TIP3   OH214138   1.686   1.148  -3.679
 2610TIP3    H114139   1.705   1.102  -3.595
 2610TIP3    H214140   1.605   1.102  -3.707
 2611TIP3   OH214141   2.641   1.191  -4.143
 2611TIP3    H114142   2.683   1.132  -4.210
 2611TIP3    H214143   2.639   1.133  -4.066
 2612TIP3   OH214144   2.583   1.124  -3.857
 2612TIP3    H114145   2.487   1.135  -3.843
 2612TIP3    H214146   2.602   1.050  -3.798
 2613TIP3   OH214147   2.894   0.066  -2.679
 2613TIP3    H114148   2.841   0.104  -2.751
 2613TIP3    H214149   2.898  -0.028  -2.705
 2614TIP3   OH214150   1.587   0.733  -2.863
 2614TIP3    H114151   1.617   0.683  -2.784
 2614TIP3    H214152   1.516   0.676  -2.898
 2615TIP3   OH214153   1.910  -0.423  -3.289
 2615TIP3    H114154   1.827  -0.429  -3.340
 2615TIP3    H214155   1.887  -0.350  -3.229
 2616TIP3   OH214156   2.349  -0.468  -2.924
 2616TIP3    H114157   2.400  -0.520  -2.859
 2616TIP3    H214158   2.258  -0.500  -2.910
 2617TIP3   OH214159   2.662  -0.085  -2.872
 2617TIP3    H114160   2.602  -0.102  -2.798
 2617TIP3    H214161   2.654   0.011  -2.887
 2618TIP3   OH214162   2.848   0.384  -4.251
 2618TIP3    H114163   2.794   0.366  -4.330
 2618TIP3    H214164   2.874   0.475  -4.270
 2619TIP3   OH214165   2.329  -0.226  -4.216
 2619TIP3    H114166   2.273  -0.222  -4.137
 2619TIP3    H214167   2.285  -0.294  -4.267
 2620TIP3   OH214168   1.895   0.056  -3.149
 2620TIP3    H114169   1.838   0.067  -3.071
 2620TIP3    H214170   1.902   0.147  -3.183
 2621TIP3   OH214171   1.890   0.064  -3.660
 2621TIP3    H114172   1.794   0.054  -3.677
 2621TIP3    H214173   1.925   0.044  -3.750
 2622TIP3   OH214174   2.458   0.119  -3.785
 2622TIP3    H114175   2.417   0.201  -3.819
 2622TIP3    H214176   2.521   0.098  -3.856
 2623TIP3   OH214177   2.369   0.141  -2.646
 2623TIP3    H114178   2.318   0.065  -2.611
 2623TIP3    H214179   2.456   0.127  -2.605
 2624TIP3   OH214180   2.536   0.059  -3.506
 2624TIP3    H114181   2.508   0.116  -3.580
 2624TIP3    H214182   2.557  -0.022  -3.555
 2625TIP3   OH214183   1.628   0.074  -2.963
 2625TIP3    H114184   1.660   0.100  -2.876
 2625TIP3    H214185   1.595  -0.016  -2.945
 2626TIP3   OH214186   2.002  -0.189  -4.314
 2626TIP3    H114187   1.966  -0.214  -4.227
 2626TIP3    H214188   1.928  -0.135  -4.349
 2627TIP3   OH214189   1.314  -0.181  -3.600
 2627TIP3    H114190   1.376  -0.184  -3.525
 2627TIP3    H214191   1.364  -0.219  -3.674
 2628TIP3   OH214192   1.472  -0.137  -4.037
 2628TIP3    H114193   1.527  -0.089  -4.102
 2628TIP3    H214194   1.404  -0.070  -4.018
 2629TIP3   OH214195   2.447   0.227  -3.057
 2629TIP3    H114196   2.490   0.155  -3.109
 2629TIP3    H214197   2.411   0.178  -2.982
 2630TIP3   OH214198   2.166  -0.178  -3.557
 2630TIP3    H114199   2.072  -0.182  -3.534
 2630TIP3    H214200   2.208  -0.197  -3.471
 2631TIP3   OH214201   1.623  -0.056  -3.689
 2631TIP3    H114202   1.542  -0.029  -3.736
 2631TIP3    H214203   1.652  -0.134  -3.739
 2632TIP3   OH214204   1.984  -0.014  -3.921
 2632TIP3    H114205   2.081  -0.010  -3.917
 2632TIP3    H214206   1.961   0.041  -3.998
 2633TIP3   OH214207   2.605  -0.263  -3.255
 2633TIP3    H114208   2.541  -0.263  -3.180
 2633TIP3    H214209   2.548  -0.297  -3.326
 2634TIP3   OH214210   1.845   0.096  -4.157
 2634TIP3    H114211   1.780   0.050  -4.213
 2634TIP3    H214212   1.916   0.118  -4.219
 2635TIP3   OH214213   2.904   1.317  -2.588
 2635TIP3    H114214   2.929   1.359  -2.672
 2635TIP3    H214215   2.977   1.344  -2.530
 2636TIP3   OH214216   1.698   0.581  -2.646
 2636TIP3    H114217   1.764   0.586  -2.574
 2636TIP3    H214218   1.616   0.570  -2.593
 2637TIP3   OH214219   2.268   0.077  -3.374
 2637TIP3    H114220   2.341   0.034  -3.421
 2637TIP3    H214221   2.252   0.016  -3.300
 2638TIP3   OH214222   1.799  -0.281  -3.762
 2638TIP3    H114223   1.744  -0.359  -3.747
 2638TIP3    H214224   1.882  -0.319  -3.796
 2639TIP3   OH214225   2.166  -0.076  -3.151
 2639TIP3    H114226   2.088  -0.019  -3.148
 2639TIP3    H214227   2.214  -0.052  -3.070
 2640TIP3   OH214228   2.179   0.562  -3.961
 2640TIP3    H114229   2.103   0.512  -3.997
 2640TIP3    H214230   2.160   0.565  -3.864
 2641TIP3   OH214231   2.901   0.479  -3.086
 2641TIP3    H114232   2.951   0.532  -3.152
 2641TIP3    H214233   2.816   0.466  -3.132
 2642TIP3   OH214234   2.594  -0.161  -4.181
 2642TIP3    H114235   2.496  -0.162  -4.186
 2642TIP3    H214236   2.615  -0.084  -4.125
 2643TIP3   OH214237   2.345   0.564  -2.829
 2643TIP3    H114238   2.314   0.529  -2.744
 2643TIP3    H214239   2.312   0.655  -2.828
 2644TIP3   OH214240   2.655   0.025  -3.986
 2644TIP3    H114241   2.743   0.006  -3.946
 2644TIP3    H214242   2.671   0.111  -4.030
 2645TIP3   OH214243   1.695   0.502  -3.378
 2645TIP3    H114244   1.749   0.490  -3.458
 2645TIP3    H214245   1.703   0.415  -3.335
 2646TIP3   OH214246   2.423   0.696  -4.068
 2646TIP3    H114247   2.394   0.784  -4.037
 2646TIP3    H214248   2.345   0.642  -4.042
 2647TIP3   OH214249   1.421   0.328  -2.848
 2647TIP3    H114250   1.433   0.283  -2.762
 2647TIP3    H214251   1.360   0.269  -2.894
 2648TIP3   OH214252   2.118   0.283  -2.657
 2648TIP3    H114253   2.083   0.254  -2.743
 2648TIP3    H214254   2.209   0.250  -2.662
 2649TIP3   OH214255   2.571   0.826  -2.882
 2649TIP3    H114256   2.474   0.829  -2.888
 2649TIP3    H214257   2.586   0.846  -2.789
 2650TIP3   OH214258   3.129   0.033  -3.999
 2650TIP3    H114259   3.066   0.013  -4.071
 2650TIP3    H214260   3.139   0.128  -4.017
 2651TIP3   OH214261   3.168   0.633  -2.724
 2651TIP3    H114262   3.074   0.653  -2.743
 2651TIP3    H214263   3.201   0.612  -2.814
 2652TIP3   OH214264   2.957   0.889  -3.990
 2652TIP3    H114265   2.918   0.814  -3.941
 2652TIP3    H214266   2.980   0.847  -4.074
 2653TIP3   OH214267   2.667   0.421  -3.257
 2653TIP3    H114268   2.574   0.405  -3.280
 2653TIP3    H214269   2.711   0.349  -3.305
 2654TIP3   OH214270   1.930   0.830  -3.649
 2654TIP3    H114271   1.973   0.915  -3.666
 2654TIP3    H214272   1.839   0.847  -3.678
 2655TIP3   OH214273   1.539   0.318  -4.198
 2655TIP3    H114274   1.594   0.385  -4.153
 2655TIP3    H214275   1.449   0.342  -4.168
 2656TIP3   OH214276   2.115   0.599  -3.688
 2656TIP3    H114277   2.083   0.689  -3.675
 2656TIP3    H214278   2.043   0.548  -3.647
 2657TIP3   OH214279   2.130   1.025  -3.054
 2657TIP3    H114280   2.187   1.099  -3.083
 2657TIP3    H214281   2.192   0.974  -3.000
 2658TIP3   OH214282   1.975   1.119  -3.731
 2658TIP3    H114283   1.879   1.133  -3.725
 2658TIP3    H214284   2.010   1.207  -3.708
 2659TIP3   OH214285   2.472   0.600  -3.097
 2659TIP3    H114286   2.442   0.570  -3.010
 2659TIP3    H214287   2.544   0.538  -3.116
 2660TIP3   OH214288   2.686   0.720  -4.192
 2660TIP3    H114289   2.733   0.676  -4.119
 2660TIP3    H214290   2.595   0.716  -4.159
 2661TIP3   OH214291   2.766   1.057  -2.858
 2661TIP3    H114292   2.691   1.009  -2.899
 2661TIP3    H214293   2.774   1.135  -2.916
 2662TIP3   OH214294   3.178   1.174  -4.159
 2662TIP3    H114295   3.246   1.244  -4.144
 2662TIP3    H214296   3.096   1.222  -4.136
 2663TIP3   OH214297   1.551  -0.207  -2.893
 2663TIP3    H114298   1.459  -0.182  -2.914
 2663TIP3    H214299   1.538  -0.291  -2.846
 2664TIP3   OH214300   2.786   0.590  -3.966
 2664TIP3    H114301   2.758   0.518  -3.906
 2664TIP3    H214302   2.884   0.584  -3.959
 2665TIP3   OH214303   1.525   0.969  -3.049
 2665TIP3    H114304   1.555   0.878  -3.036
 2665TIP3    H214305   1.551   1.008  -2.965
 2666TIP3   OH214306   2.140   0.833  -4.321
 2666TIP3    H114307   2.172   0.749  -4.357
 2666TIP3    H214308   2.076   0.800  -4.255
 2667TIP3   OH214309   1.986   0.787  -4.068
 2667TIP3    H114310   2.045   0.732  -4.015
 2667TIP3    H214311   2.014   0.878  -4.047
 2668TIP3   OH214312   1.679   0.522  -4.035
 2668TIP3    H114313   1.605   0.566  -3.989
 2668TIP3    H214314   1.727   0.599  -4.071
 2669TIP3   OH214315   2.447  -0.224  -3.035
 2669TIP3    H114316   2.509  -0.197  -2.965
 2669TIP3    H214317   2.399  -0.298  -2.994
 2670TIP3   OH214318   2.506  -0.268  -3.921
 2670TIP3    H114319   2.537  -0.221  -4.000
 2670TIP3    H214320   2.559  -0.227  -3.851
 2671TIP3   OH214321   2.291   0.947  -4.022
 2671TIP3    H114322   2.210   0.998  -4.006
 2671TIP3    H214323   2.336   1.004  -4.086
 2672TIP3   OH214324   2.251  -0.077  -3.815
 2672TIP3    H114325   2.330  -0.021  -3.801
 2672TIP3    H214326   2.222  -0.094  -3.724
 2673TIP3   OH214327   2.291   0.013  -2.900
 2673TIP3    H114328   2.294   0.063  -2.817
 2673TIP3    H214329   2.342  -0.066  -2.876
 2674TIP3   OH214330   2.314  -0.375  -3.724
 2674TIP3    H114331   2.295  -0.307  -3.658
 2674TIP3    H214332   2.386  -0.332  -3.775
 2675TIP3   OH214333   2.010   1.065  -4.025
 2675TIP3    H114334   2.011   1.151  -4.072
 2675TIP3    H214335   1.997   1.093  -3.932
 2676TIP3   OH214336   1.886  -0.269  -4.079
 2676TIP3    H114337   1.878  -0.198  -4.014
 2676TIP3    H214338   1.961  -0.320  -4.044
 2677TIP3   OH214339   2.917  -0.187  -2.812
 2677TIP3    H114340   2.820  -0.175  -2.825
 2677TIP3    H214341   2.941  -0.211  -2.902
 2678TIP3   OH214342   2.767   0.197  -3.409
 2678TIP3    H114343   2.685   0.151  -3.435
 2678TIP3    H214344   2.816   0.126  -3.362
 2679TIP3   OH214345   1.719   0.823  -4.157
 2679TIP3    H114346   1.804   0.843  -4.114
 2679TIP3    H214347   1.751   0.771  -4.233
 2680TIP3   OH214348   1.544   0.037  -4.251
 2680TIP3    H114349   1.558   0.133  -4.238
 2680TIP3    H214350   1.455   0.036  -4.291
 2681TIP3   OH214351   2.869   1.083  -3.270
 2681TIP3    H114352   2.852   1.165  -3.320
 2681TIP3    H214353   2.961   1.096  -3.244
 2682TIP3   OH214354   1.631  -0.467  -3.371
 2682TIP3    H114355   1.612  -0.469  -3.467
 2682TIP3    H214356   1.596  -0.553  -3.340
 2683TIP3   OH214357   1.523   0.892  -3.741
 2683TIP3    H114358   1.438   0.937  -3.730
 2683TIP3    H214359   1.557   0.933  -3.822
 2684TIP3   OH214360   1.458   1.173  -2.628
 2684TIP3    H114361   1.516   1.146  -2.554
 2684TIP3    H214362   1.421   1.087  -2.655
 2685TIP3   OH214363   1.926   1.073  -2.446
 2685TIP3    H114364   2.001   1.014  -2.433
 2685TIP3    H214365   1.903   1.054  -2.538
 2686TIP3   OH214366   2.352   1.012  -4.313
 2686TIP3    H114367   2.271   0.958  -4.322
 2686TIP3    H214368   2.415   0.952  -4.356
 2687TIP3   OH214369   2.575   0.908  -2.590
 2687TIP3    H114370   2.539   0.825  -2.555
 2687TIP3    H214371   2.646   0.928  -2.527
 2688TIP3   OH214372   2.745   0.979  -4.285
 2688TIP3    H114373   2.780   0.901  -4.240
 2688TIP3    H214374   2.824   1.028  -4.316
 2689TIP3   OH214375   1.458   0.538  -2.516
 2689TIP3    H114376   1.468   0.444  -2.541
 2689TIP3    H214377   1.383   0.565  -2.572
 2690TIP3   OH214378   1.878   0.593  -4.298
 2690TIP3    H114379   1.902   0.518  -4.242
 2690TIP3    H214380   1.938   0.585  -4.374
 2691TIP3   OH214381   2.114   0.556  -2.581
 2691TIP3    H114382   2.088   0.586  -2.669
 2691TIP3    H214383   2.126   0.460  -2.595
 2692TIP3   OH214384   2.414   0.695  -4.349
 2692TIP3    H114385   2.427   0.709  -4.254
 2692TIP3    H214386   2.477   0.625  -4.370
 2693TIP3   OH214387   2.655   0.517  -2.843
 2693TIP3    H114388   2.733   0.571  -2.864
 2693TIP3    H214389   2.585   0.583  -2.846
 2694TIP3   OH214390   1.539   0.256  -2.587
 2694TIP3    H114391   1.607   0.186  -2.588
 2694TIP3    H214392   1.520   0.257  -2.491
 2695TIP3   OH214393   1.987   0.385  -4.087
 2695TIP3    H114394   1.923   0.338  -4.031
 2695TIP3    H214395   2.020   0.314  -4.145
 2696TIP3   OH214396   1.905   0.162  -2.858
 2696TIP3    H114397   1.854   0.242  -2.835
 2696TIP3    H214398   1.972   0.198  -2.918
 2697TIP3   OH214399   2.103   0.196  -4.273
 2697TIP3    H114400   2.104   0.176  -4.368
 2697TIP3    H214401   2.199   0.194  -4.253
 2698TIP3   OH214402   2.438   0.434  -2.499
 2698TIP3    H114403   2.527   0.413  -2.531
 2698TIP3    H214404   2.411   0.350  -2.460
 2699TIP3   OH214405   1.966  -0.104  -2.741
 2699TIP3    H114406   1.971  -0.173  -2.810
 2699TIP3    H214407   1.944  -0.025  -2.793
 2700TIP3   OH214408   2.000  -0.261  -2.996
 2700TIP3    H114409   2.051  -0.209  -3.061
 2700TIP3    H214410   1.909  -0.258  -3.032
 2701TIP3   OH214411   2.154   0.283  -2.957
 2701TIP3    H114412   2.238   0.274  -3.004
 2701TIP3    H214413   2.124   0.371  -2.988
 2702TIP3   OH214414   2.613   0.077  -2.480
 2702TIP3    H114415   2.632  -0.017  -2.462
 2702TIP3    H214416   2.703   0.114  -2.483
 2703TIP3   OH214417   2.709   0.357  -2.628
 2703TIP3    H114418   2.675   0.417  -2.698
 2703TIP3    H214419   2.798   0.338  -2.665
 2704TIP3   OH214420   1.788   0.076  -2.560
 2704TIP3    H114421   1.732  -0.003  -2.554
 2704TIP3    H214422   1.867   0.042  -2.605
 2705TIP3   OH214423   2.074  -0.528  -2.962
 2705TIP3    H114424   2.055  -0.432  -2.977
 2705TIP3    H214425   2.003  -0.569  -3.015
 2706TIP3   OH214426   2.197  -0.068  -2.581
 2706TIP3    H114427   2.166  -0.097  -2.494
 2706TIP3    H214428   2.117  -0.090  -2.635
 2707TIP3   OH214429   2.451  -0.166  -2.696
 2707TIP3    H114430   2.363  -0.162  -2.655
 2707TIP3    H214431   2.498  -0.229  -2.638
 2708TIP3   OH214432   2.640  -0.318  -2.523
 2708TIP3    H114433   2.623  -0.413  -2.509
 2708TIP3    H214434   2.618  -0.278  -2.437
 2709TIP3   OH214435   1.650  -0.177  -2.576
 2709TIP3    H114436   1.644  -0.252  -2.637
 2709TIP3    H214437   1.630  -0.219  -2.490
 2710TIP3   OH214438   2.055  -0.580  -2.680
 2710TIP3    H114439   2.115  -0.656  -2.674
 2710TIP3    H214440   2.054  -0.564  -2.776
 2711TIP3   OH214441   2.154  -0.390  -2.500
 2711TIP3    H114442   2.117  -0.451  -2.568
 2711TIP3    H214443   2.082  -0.326  -2.487
 2712TIP3   OH214444   2.063   1.321  -4.168
 2712TIP3    H114445   2.160   1.323  -4.167
 2712TIP3    H214446   2.041   1.368  -4.250
 2713TIP3   OH214447   1.451   0.714  -4.193
 2713TIP3    H114448   1.539   0.754  -4.200
 2713TIP3    H214449   1.444   0.666  -4.277
 2714TIP3   OH214450   1.347   1.273  -3.717
 2714TIP3    H114451   1.279   1.233  -3.776
 2714TIP3    H214452   1.357   1.202  -3.650
 2715TIP3   OH214453   1.384   1.075  -3.519
 2715TIP3    H114454   1.358   0.986  -3.491
 2715TIP3    H214455   1.423   1.107  -3.436
 2716TIP3   OH214456   3.141   1.202  -3.219
 2716TIP3    H114457   3.157   1.196  -3.124
 2716TIP3    H214458   3.228   1.228  -3.252
 2717TIP3   OH214459   3.132   1.143  -2.932
 2717TIP3    H114460   3.079   1.069  -2.967
 2717TIP3    H214461   3.186   1.096  -2.867
 2718TIP3   OH214462   2.931   0.688  -2.504
 2718TIP3    H114463   2.843   0.692  -2.463
 2718TIP3    H214464   2.976   0.767  -2.470
 2719TIP3   OH214465   3.072   0.570  -3.930
 2719TIP3    H114466   3.162   0.603  -3.913
 2719TIP3    H214467   3.064   0.505  -3.857
 2720TIP3   OH214468   3.117   0.371  -3.731
 2720TIP3    H114469   3.049   0.315  -3.688
 2720TIP3    H214470   3.184   0.382  -3.662
 2721TIP3   OH214471   3.090   0.623  -3.233
 2721TIP3    H114472   3.151   0.572  -3.289
 2721TIP3    H214473   3.102   0.713  -3.266
 2722TIP3   OH214474   2.962   0.916  -3.011
 2722TIP3    H114475   2.888   0.953  -2.960
 2722TIP3    H214476   2.915   0.877  -3.088
 2723TIP3   OH214477   3.148   0.341  -4.109
 2723TIP3    H114478   3.081   0.362  -4.175
 2723TIP3    H214479   3.125   0.405  -4.040
 2724TIP3   OH214480   2.969   0.078  -4.210
 2724TIP3    H114481   2.992   0.148  -4.274
 2724TIP3    H214482   2.993  -0.002  -4.258
 2725TIP3   OH214483   2.911   0.185  -3.650
 2725TIP3    H114484   2.902   0.090  -3.667
 2725TIP3    H214485   2.872   0.194  -3.560
 2726TIP3   OH214486   1.395   0.409  -3.280
 2726TIP3    H114487   1.420   0.411  -3.374
 2726TIP3    H214488   1.481   0.385  -3.240
 2727TIP3   OH214489   2.971   0.379  -2.737
 2727TIP3    H114490   3.043   0.316  -2.720
 2727TIP3    H214491   3.018   0.461  -2.753
 2728TIP3   OH214492   3.127   0.189  -2.615
 2728TIP3    H114493   3.047   0.136  -2.637
 2728TIP3    H214494   3.197   0.121  -2.617
 2729TIP3   OH214495   2.888  -0.220  -4.320
 2729TIP3    H114496   2.949  -0.270  -4.265
 2729TIP3    H214497   2.809  -0.276  -4.323
 2730TIP3   OH214498   2.890  -0.061  -3.835
 2730TIP3    H114499   2.915  -0.156  -3.829
 2730TIP3    H214500   2.972  -0.024  -3.873
 2731TIP3   OH214501   2.920  -0.002  -3.289
 2731TIP3    H114502   3.018   0.005  -3.291
 2731TIP3    H214503   2.906  -0.002  -3.193
 2732TIP3   OH214504   2.937   0.066  -3.007
 2732TIP3    H114505   2.851   0.104  -2.980
 2732TIP3    H214506   2.989   0.146  -3.028
 2733TIP3   OH214507   1.388  -0.056  -2.643
 2733TIP3    H114508   1.481  -0.080  -2.628
 2733TIP3    H214509   1.344  -0.142  -2.631
 2734TIP3   OH214510   3.198  -0.517  -2.476
 2734TIP3    H114511   3.232  -0.586  -2.535
 2734TIP3    H214512   3.196  -0.439  -2.535
 2735TIP3   OH214513   2.941  -0.336  -3.831
 2735TIP3    H114514   2.957  -0.375  -3.743
 2735TIP3    H214515   2.866  -0.391  -3.862
 2736TIP3   OH214516   1.463  -0.224  -3.359
 2736TIP3    H114517   1.508  -0.309  -3.352
 2736TIP3    H214518   1.532  -0.164  -3.325
 2737TIP3   OH214519   1.317   0.044  -3.255
 2737TIP3    H114520   1.375   0.038  -3.333
 2737TIP3    H214521   1.355   0.120  -3.209
 2738TIP3   OH214522   3.129  -0.315  -2.653
 2738TIP3    H114523   3.041  -0.273  -2.648
 2738TIP3    H214524   3.117  -0.370  -2.733
 2739TIP3   OH214525   3.145  -0.299  -4.176
 2739TIP3    H114526   3.170  -0.373  -4.233
 2739TIP3    H214527   3.228  -0.249  -4.172
 2740TIP3   OH214528   1.367  -0.321  -3.852
 2740TIP3    H114529   1.272  -0.319  -3.872
 2740TIP3    H214530   1.405  -0.262  -3.919
 2741TIP3   OH214531   2.828   1.204  -3.641
 2741TIP3    H114532   2.876   1.176  -3.721
 2741TIP3    H214533   2.899   1.239  -3.586
 2742TIP3   OH214534   1.371  -0.435  -3.036
 2742TIP3    H114535   1.302  -0.461  -2.974
 2742TIP3    H214536   1.320  -0.383  -3.100
 2743TIP3   OH214537   1.570   0.881  -2.565
 2743TIP3    H114538   1.499   0.870  -2.631
 2743TIP3    H214539   1.522   0.870  -2.482
 2744TIP3   OH214540   1.854   0.974  -2.999
 2744TIP3    H114541   1.824   1.060  -3.035
 2744TIP3    H214542   1.949   0.981  -3.016
 2745TIP3   OH214543   2.304   1.105  -2.697
 2745TIP3    H114544   2.321   1.086  -2.603
 2745TIP3    H214545   2.388   1.148  -2.724
 2746TIP3   OH214546   2.534   1.250  -2.774
 2746TIP3    H114547   2.602   1.185  -2.798
 2746TIP3    H214548   2.565   1.279  -2.686
 2747TIP3   OH214549   3.022  -0.495  -2.862
 2747TIP3    H114550   2.939  -0.470  -2.906
 2747TIP3    H214551   3.031  -0.588  -2.891
 2748TIP3   OH214552   1.589   1.270  -2.967
 2748TIP3    H114553   1.530   1.334  -3.010
 2748TIP3    H214554   1.557   1.275  -2.876
 2749TIP3   OH214555   1.841   1.247  -3.110
 2749TIP3    H114556   1.755   1.265  -3.067
 2749TIP3    H214557   1.844   1.315  -3.180
 2750TIP3   OH214558   2.315   1.245  -3.155
 2750TIP3    H114559   2.278   1.289  -3.233
 2750TIP3    H214560   2.324   1.320  -3.093
 2751TIP3   OH214561   2.549   1.118  -3.062
 2751TIP3    H114562   2.464   1.152  -3.097
 2751TIP3    H214563   2.605   1.197  -3.066
 2752TIP3   OH214564   2.803   1.291  -3.044
 2752TIP3    H114565   2.798   1.386  -3.067
 2752TIP3    H214566   2.830   1.253  -3.129
 2753TIP3   OH214567   1.549   1.148  -3.272
 2753TIP3    H114568   1.548   1.099  -3.187
 2753TIP3    H214569   1.624   1.105  -3.316
 2754TIP3   OH214570   1.750   1.025  -3.425
 2754TIP3    H114571   1.736   0.931  -3.403
 2754TIP3    H214572   1.843   1.038  -3.397
 2755TIP3   OH214573   2.027   1.070  -3.339
 2755TIP3    H114574   2.046   0.978  -3.363
 2755TIP3    H214575   2.034   1.065  -3.243
 2756TIP3   OH214576   2.360  -0.341  -3.409
 2756TIP3    H114577   2.291  -0.409  -3.395
 2756TIP3    H214578   2.421  -0.387  -3.469
 2757TIP3   OH214579   2.857  -0.538  -3.363
 2757TIP3    H114580   2.932  -0.495  -3.407
 2757TIP3    H214581   2.782  -0.511  -3.418
 2758TIP3   OH214582   3.060  -0.428  -3.580
 2758TIP3    H114583   3.134  -0.474  -3.623
 2758TIP3    H214584   3.095  -0.338  -3.568
 2759TIP3   OH214585   1.596  -0.470  -3.652
 2759TIP3    H114586   1.510  -0.482  -3.697
 2759TIP3    H214587   1.638  -0.556  -3.668
 2760TIP3   OH214588   1.474  -0.515  -4.081
 2760TIP3    H114589   1.533  -0.452  -4.127
 2760TIP3    H214590   1.441  -0.460  -4.008
 2761TIP3   OH214591   2.043  -0.489  -3.665
 2761TIP3    H114592   2.133  -0.456  -3.680
 2761TIP3    H214593   2.041  -0.496  -3.569
 2762TIP3   OH214594   2.602  -0.483  -3.524
 2762TIP3    H114595   2.628  -0.497  -3.616
 2762TIP3    H214596   2.564  -0.569  -3.500
 2763TIP3   OH214597   2.707  -0.485  -3.919
 2763TIP3    H114598   2.628  -0.438  -3.953
 2763TIP3    H214599   2.675  -0.577  -3.919
 2764TIP3   OH214600   1.480   1.075  -3.962
 2764TIP3    H114601   1.411   1.072  -4.031
 2764TIP3    H214602   1.483   1.170  -3.945
 2765TIP3   OH214603   1.641  -0.345  -4.227
 2765TIP3    H114604   1.698  -0.400  -4.284
 2765TIP3    H214605   1.708  -0.292  -4.180
 2766TIP3   OH214606   2.152  -0.324  -3.958
 2766TIP3    H114607   2.194  -0.377  -3.888
 2766TIP3    H214608   2.178  -0.236  -3.929
 2767TIP3   OH214609   2.362   1.241  -4.146
 2767TIP3    H114610   2.459   1.251  -4.153
 2767TIP3    H214611   2.348   1.177  -4.218
 2768TIP3   OH214612   3.024   1.158  -3.885
 2768TIP3    H114613   2.993   1.074  -3.926
 2768TIP3    H214614   2.999   1.224  -3.953
 2769TIP3   OH214615   1.577  -0.446  -2.703
 2769TIP3    H114616   1.534  -0.524  -2.664
 2769TIP3    H214617   1.668  -0.458  -2.671
 2770TIP3   OH214618   1.812  -0.507  -2.529
 2770TIP3    H114619   1.895  -0.544  -2.566
 2770TIP3    H214620   1.778  -0.585  -2.481
 2771TIP3   OH214621   1.687   1.190  -4.231
 2771TIP3    H114622   1.639   1.202  -4.148
 2771TIP3    H214623   1.746   1.116  -4.214
 2772TIP3   OH214624   2.631  -0.599  -2.511
 2772TIP3    H114625   2.632  -0.637  -2.421
 2772TIP3    H214626   2.724  -0.609  -2.537
 2773TIP3   OH214627   2.963   1.038  -2.641
 2773TIP3    H114628   2.890   1.017  -2.702
 2773TIP3    H214629   2.943   1.131  -2.621
 2774TIP3   OH214630   4.223   0.348  -3.319
 2774TIP3    H114631   4.284   0.311  -3.253
 2774TIP3    H214632   4.243   0.298  -3.399
 2775TIP3   OH214633   3.514   0.308  -3.153
 2775TIP3    H114634   3.512   0.232  -3.092
 2775TIP3    H214635   3.585   0.361  -3.114
 2776TIP3   OH214636   3.581   0.772  -3.305
 2776TIP3    H114637   3.556   0.680  -3.329
 2776TIP3    H214638   3.673   0.757  -3.278
 2777TIP3   OH214639   3.281   0.115  -3.763
 2777TIP3    H114640   3.235   0.200  -3.754
 2777TIP3    H214641   3.212   0.060  -3.805
 2778TIP3   OH214642   3.362   0.358  -3.576
 2778TIP3    H114643   3.374   0.273  -3.530
 2778TIP3    H214644   3.445   0.363  -3.626
 2779TIP3   OH214645   4.131   0.605  -3.260
 2779TIP3    H114646   4.145   0.525  -3.314
 2779TIP3    H214647   4.195   0.586  -3.190
 2780TIP3   OH214648   3.745  -0.162  -3.506
 2780TIP3    H114649   3.756  -0.078  -3.554
 2780TIP3    H214650   3.709  -0.219  -3.576
 2781TIP3   OH214651   3.414   0.109  -3.454
 2781TIP3    H114652   3.474   0.058  -3.397
 2781TIP3    H214653   3.420   0.058  -3.537
 2782TIP3   OH214654   3.952   0.242  -3.504
 2782TIP3    H114655   4.027   0.188  -3.473
 2782TIP3    H214656   3.902   0.175  -3.554
 2783TIP3   OH214657   3.627  -0.283  -3.090
 2783TIP3    H114658   3.584  -0.237  -3.163
 2783TIP3    H214659   3.560  -0.275  -3.020
 2784TIP3   OH214660   3.918   0.498  -3.075
 2784TIP3    H114661   3.841   0.551  -3.047
 2784TIP3    H214662   3.977   0.566  -3.111
 2785TIP3   OH214663   3.583  -0.080  -3.296
 2785TIP3    H114664   3.650  -0.025  -3.250
 2785TIP3    H214665   3.641  -0.120  -3.366
 2786TIP3   OH214666   3.716   0.688  -3.004
 2786TIP3    H114667   3.712   0.781  -3.033
 2786TIP3    H214668   3.629   0.680  -2.960
 2787TIP3   OH214669   3.353   0.660  -3.921
 2787TIP3    H114670   3.320   0.704  -4.002
 2787TIP3    H214671   3.361   0.734  -3.856
 2788TIP3   OH214672   4.041  -0.547  -3.366
 2788TIP3    H114673   4.011  -0.641  -3.372
 2788TIP3    H214674   3.957  -0.504  -3.339
 2789TIP3   OH214675   4.264   0.339  -3.916
 2789TIP3    H114676   4.200   0.411  -3.928
 2789TIP3    H214677   4.338   0.370  -3.970
 2790TIP3   OH214678   4.288   0.197  -4.213
 2790TIP3    H114679   4.354   0.200  -4.142
 2790TIP3    H214680   4.298   0.108  -4.247
 2791TIP3   OH214681   3.762   0.433  -3.618
 2791TIP3    H114682   3.729   0.387  -3.697
 2791TIP3    H214683   3.822   0.367  -3.580
 2792TIP3   OH214684   3.901   0.774  -3.342
 2792TIP3    H114685   3.886   0.730  -3.427
 2792TIP3    H214686   3.980   0.727  -3.309
 2793TIP3   OH214687   3.814   0.317  -3.269
 2793TIP3    H114688   3.875   0.312  -3.345
 2793TIP3    H214689   3.859   0.380  -3.210
 2794TIP3   OH214690   3.905   0.752  -2.788
 2794TIP3    H114691   3.853   0.814  -2.734
 2794TIP3    H214692   3.839   0.723  -2.853
 2795TIP3   OH214693   3.595   0.389  -2.873
 2795TIP3    H114694   3.599   0.443  -2.792
 2795TIP3    H214695   3.499   0.372  -2.880
 2796TIP3   OH214696   4.252   0.960  -3.697
 2796TIP3    H114697   4.299   1.014  -3.632
 2796TIP3    H214698   4.197   1.026  -3.740
 2797TIP3   OH214699   3.710   0.967  -2.701
 2797TIP3    H114700   3.698   0.966  -2.798
 2797TIP3    H214701   3.623   0.938  -2.668
 2798TIP3   OH214702   3.652   0.309  -3.864
 2798TIP3    H114703   3.624   0.383  -3.920
 2798TIP3    H214704   3.586   0.241  -3.885
 2799TIP3   OH214705   3.256   0.575  -2.990
 2799TIP3    H114706   3.212   0.573  -3.077
 2799TIP3    H214707   3.269   0.480  -2.972
 2800TIP3   OH214708   3.263   0.871  -3.299
 2800TIP3    H114709   3.353   0.838  -3.292
 2800TIP3    H214710   3.257   0.927  -3.220
 2801TIP3   OH214711   4.170   0.853  -2.839
 2801TIP3    H114712   4.181   0.938  -2.794
 2801TIP3    H214713   4.080   0.825  -2.814
 2802TIP3   OH214714   4.184   1.232  -3.849
 2802TIP3    H114715   4.209   1.238  -3.942
 2802TIP3    H214716   4.207   1.318  -3.812
 2803TIP3   OH214717   3.573   1.145  -3.680
 2803TIP3    H114718   3.591   1.102  -3.594
 2803TIP3    H214719   3.488   1.105  -3.703
 2804TIP3   OH214720   3.475   0.731  -2.866
 2804TIP3    H114721   3.502   0.684  -2.784
 2804TIP3    H214722   3.401   0.675  -2.899
 2805TIP3   OH214723   3.791  -0.421  -3.304
 2805TIP3    H114724   3.704  -0.444  -3.340
 2805TIP3    H214725   3.763  -0.365  -3.229
 2806TIP3   OH214726   4.247  -0.499  -2.838
 2806TIP3    H114727   4.235  -0.590  -2.805
 2806TIP3    H214728   4.157  -0.488  -2.878
 2807TIP3   OH214729   4.223  -0.214  -4.202
 2807TIP3    H114730   4.157  -0.229  -4.133
 2807TIP3    H214731   4.195  -0.280  -4.268
 2808TIP3   OH214732   3.783   0.058  -3.148
 2808TIP3    H114733   3.720   0.065  -3.074
 2808TIP3    H214734   3.783   0.149  -3.185
 2809TIP3   OH214735   3.774   0.067  -3.662
 2809TIP3    H114736   3.678   0.053  -3.676
 2809TIP3    H214737   3.808   0.044  -3.751
 2810TIP3   OH214738   4.288   0.097  -3.745
 2810TIP3    H114739   4.264   0.189  -3.768
 2810TIP3    H214740   4.317   0.061  -3.829
 2811TIP3   OH214741   4.251   0.147  -2.627
 2811TIP3    H114742   4.198   0.065  -2.614
 2811TIP3    H214743   4.340   0.109  -2.630
 2812TIP3   OH214744   3.516   0.075  -2.963
 2812TIP3    H114745   3.543   0.100  -2.874
 2812TIP3    H214746   3.481  -0.015  -2.947
 2813TIP3   OH214747   3.898  -0.178  -4.309
 2813TIP3    H114748   3.859  -0.215  -4.228
 2813TIP3    H214749   3.820  -0.134  -4.348
 2814TIP3   OH214750   3.204  -0.176  -3.599
 2814TIP3    H114751   3.264  -0.189  -3.524
 2814TIP3    H214752   3.248  -0.221  -3.673
 2815TIP3   OH214753   3.358  -0.137  -4.038
 2815TIP3    H114754   3.413  -0.089  -4.103
 2815TIP3    H214755   3.289  -0.072  -4.018
 2816TIP3   OH214756   4.349   0.204  -3.024
 2816TIP3    H114757   4.379   0.133  -3.085
 2816TIP3    H214758   4.281   0.155  -2.976
 2817TIP3   OH214759   4.049  -0.191  -3.556
 2817TIP3    H114760   3.954  -0.193  -3.533
 2817TIP3    H214761   4.088  -0.190  -3.467
 2818TIP3   OH214762   3.513  -0.053  -3.693
 2818TIP3    H114763   3.427  -0.032  -3.734
 2818TIP3    H214764   3.539  -0.136  -3.738
 2819TIP3   OH214765   3.866  -0.014  -3.922
 2819TIP3    H114766   3.963  -0.014  -3.918
 2819TIP3    H214767   3.845   0.043  -3.997
 2820TIP3   OH214768   3.728   0.104  -4.162
 2820TIP3    H114769   3.666   0.047  -4.212
 2820TIP3    H214770   3.806   0.106  -4.219
 2821TIP3   OH214771   3.583   0.579  -2.647
 2821TIP3    H114772   3.650   0.585  -2.575
 2821TIP3    H214773   3.502   0.573  -2.592
 2822TIP3   OH214774   4.149   0.057  -3.414
 2822TIP3    H114775   4.213   0.002  -3.461
 2822TIP3    H214776   4.156   0.022  -3.323
 2823TIP3   OH214777   3.682  -0.284  -3.766
 2823TIP3    H114778   3.625  -0.359  -3.742
 2823TIP3    H214779   3.765  -0.329  -3.787
 2824TIP3   OH214780   4.054  -0.080  -3.154
 2824TIP3    H114781   3.977  -0.022  -3.157
 2824TIP3    H214782   4.101  -0.050  -3.075
 2825TIP3   OH214783   4.068   0.548  -3.955
 2825TIP3    H114784   3.991   0.499  -3.990
 2825TIP3    H214785   4.048   0.557  -3.859
 2826TIP3   OH214786   4.229   0.571  -2.852
 2826TIP3    H114787   4.196   0.527  -2.773
 2826TIP3    H214788   4.208   0.665  -2.838
 2827TIP3   OH214789   3.580   0.502  -3.377
 2827TIP3    H114790   3.635   0.489  -3.456
 2827TIP3    H214791   3.588   0.416  -3.333
 2828TIP3   OH214792   4.284   0.690  -4.051
 2828TIP3    H114793   4.252   0.780  -4.031
 2828TIP3    H214794   4.208   0.637  -4.020
 2829TIP3   OH214795   3.304   0.329  -2.851
 2829TIP3    H114796   3.320   0.284  -2.766
 2829TIP3    H214797   3.244   0.268  -2.897
 2830TIP3   OH214798   4.003   0.283  -2.652
 2830TIP3    H114799   3.965   0.246  -2.734
 2830TIP3    H214800   4.095   0.251  -2.658
 2831TIP3   OH214801   3.816   0.829  -3.656
 2831TIP3    H114802   3.857   0.916  -3.665
 2831TIP3    H214803   3.723   0.849  -3.673
 2832TIP3   OH214804   3.423   0.324  -4.203
 2832TIP3    H114805   3.476   0.385  -4.150
 2832TIP3    H214806   3.333   0.339  -4.168
 2833TIP3   OH214807   3.996   0.599  -3.690
 2833TIP3    H114808   3.964   0.689  -3.676
 2833TIP3    H214809   3.925   0.547  -3.648
 2834TIP3   OH214810   4.020   1.028  -3.053
 2834TIP3    H114811   4.079   1.099  -3.085
 2834TIP3    H214812   4.082   0.977  -2.998
 2835TIP3   OH214813   3.859   1.120  -3.737
 2835TIP3    H114814   3.764   1.134  -3.723
 2835TIP3    H214815   3.897   1.205  -3.708
 2836TIP3   OH214816   3.436  -0.205  -2.891
 2836TIP3    H114817   3.345  -0.182  -2.916
 2836TIP3    H214818   3.423  -0.294  -2.851
 2837TIP3   OH214819   3.413   0.969  -3.050
 2837TIP3    H114820   3.441   0.877  -3.033
 2837TIP3    H214821   3.434   1.009  -2.965
 2838TIP3   OH214822   3.975   0.821  -4.380
 2838TIP3    H114823   4.043   0.752  -4.392
 2838TIP3    H214824   3.946   0.801  -4.288
 2839TIP3   OH214825   3.875   0.782  -4.071
 2839TIP3    H114826   3.930   0.728  -4.012
 2839TIP3    H214827   3.900   0.873  -4.045
 2840TIP3   OH214828   3.563   0.525  -4.041
 2840TIP3    H114829   3.488   0.562  -3.990
 2840TIP3    H214830   3.615   0.605  -4.056
 2841TIP3   OH214831   4.330  -0.166  -2.988
 2841TIP3    H114832   4.385  -0.228  -2.940
 2841TIP3    H214833   4.292  -0.222  -3.057
 2842TIP3   OH214834   4.162   0.949  -4.030
 2842TIP3    H114835   4.088   1.004  -4.000
 2842TIP3    H214836   4.216   1.014  -4.076
 2843TIP3   OH214837   4.119  -0.101  -3.813
 2843TIP3    H114838   4.183  -0.034  -3.780
 2843TIP3    H214839   4.081  -0.127  -3.727
 2844TIP3   OH214840   4.161   0.012  -2.893
 2844TIP3    H114841   4.186   0.058  -2.812
 2844TIP3    H214842   4.231  -0.056  -2.901
 2845TIP3   OH214843   4.198  -0.383  -3.694
 2845TIP3    H114844   4.168  -0.304  -3.644
 2845TIP3    H214845   4.272  -0.348  -3.746
 2846TIP3   OH214846   3.889   1.064  -4.027
 2846TIP3    H114847   3.898   1.150  -4.072
 2846TIP3    H214848   3.878   1.091  -3.933
 2847TIP3   OH214849   3.770  -0.267  -4.084
 2847TIP3    H114850   3.761  -0.202  -4.012
 2847TIP3    H214851   3.837  -0.328  -4.049
 2848TIP3   OH214852   3.611   0.823  -4.181
 2848TIP3    H114853   3.681   0.857  -4.122
 2848TIP3    H214854   3.662   0.754  -4.227
 2849TIP3   OH214855   3.434   0.038  -4.260
 2849TIP3    H114856   3.444   0.133  -4.240
 2849TIP3    H214857   3.341   0.034  -4.290
 2850TIP3   OH214858   3.488  -0.479  -3.360
 2850TIP3    H114859   3.484  -0.492  -3.456
 2850TIP3    H214860   3.482  -0.572  -3.329
 2851TIP3   OH214861   3.404   0.887  -3.746
 2851TIP3    H114862   3.324   0.936  -3.724
 2851TIP3    H214863   3.441   0.937  -3.819
 2852TIP3   OH214864   3.345   1.173  -2.629
 2852TIP3    H114865   3.404   1.145  -2.556
 2852TIP3    H214866   3.307   1.088  -2.657
 2853TIP3   OH214867   3.816   1.082  -2.453
 2853TIP3    H114868   3.881   1.014  -2.428
 2853TIP3    H214869   3.790   1.052  -2.541
 2854TIP3   OH214870   4.232   1.016  -4.323
 2854TIP3    H114871   4.157   0.955  -4.321
 2854TIP3    H214872   4.302   0.959  -4.359
 2855TIP3   OH214873   3.342   0.538  -2.518
 2855TIP3    H114874   3.350   0.445  -2.547
 2855TIP3    H214875   3.264   0.566  -2.569
 2856TIP3   OH214876   3.790   0.599  -4.322
 2856TIP3    H114877   3.756   0.536  -4.257
 2856TIP3    H214878   3.872   0.554  -4.347
 2857TIP3   OH214879   4.010   0.559  -2.586
 2857TIP3    H114880   3.976   0.587  -2.672
 2857TIP3    H214881   4.018   0.461  -2.597
 2858TIP3   OH214882   4.264   0.688  -4.346
 2858TIP3    H114883   4.315   0.721  -4.269
 2858TIP3    H214884   4.323   0.619  -4.378
 2859TIP3   OH214885   3.428   0.252  -2.599
 2859TIP3    H114886   3.500   0.186  -2.600
 2859TIP3    H214887   3.422   0.270  -2.504
 2860TIP3   OH214888   3.868   0.385  -4.091
 2860TIP3    H114889   3.806   0.341  -4.031
 2860TIP3    H214890   3.903   0.310  -4.142
 2861TIP3   OH214891   3.797   0.167  -2.852
 2861TIP3    H114892   3.740   0.243  -2.834
 2861TIP3    H214893   3.850   0.198  -2.926
 2862TIP3   OH214894   3.995   0.201  -4.277
 2862TIP3    H114895   3.994   0.174  -4.370
 2862TIP3    H214896   4.090   0.213  -4.261
 2863TIP3   OH214897   4.286   0.413  -2.487
 2863TIP3    H114898   4.359   0.378  -2.539
 2863TIP3    H214899   4.266   0.335  -2.433
 2864TIP3   OH214900   3.858  -0.105  -2.739
 2864TIP3    H114901   3.860  -0.172  -2.810
 2864TIP3    H214902   3.838  -0.024  -2.790
 2865TIP3   OH214903   3.886  -0.257  -2.997
 2865TIP3    H114904   3.932  -0.205  -3.065
 2865TIP3    H214905   3.795  -0.264  -3.032
 2866TIP3   OH214906   4.068   0.283  -2.961
 2866TIP3    H114907   4.135   0.274  -3.030
 2866TIP3    H214908   4.027   0.368  -2.985
 2867TIP3   OH214909   3.674   0.077  -2.565
 2867TIP3    H114910   3.619  -0.004  -2.561
 2867TIP3    H214911   3.755   0.043  -2.607
 2868TIP3   OH214912   3.993  -0.511  -2.961
 2868TIP3    H114913   3.955  -0.422  -2.973
 2868TIP3    H214914   3.924  -0.564  -3.007
 2869TIP3   OH214915   4.106  -0.080  -2.586
 2869TIP3    H114916   4.069  -0.107  -2.500
 2869TIP3    H214917   4.031  -0.101  -2.644
 2870TIP3   OH214918   3.539  -0.177  -2.579
 2870TIP3    H114919   3.531  -0.249  -2.645
 2870TIP3    H214920   3.519  -0.225  -2.497
 2871TIP3   OH214921   3.947  -0.577  -2.676
 2871TIP3    H114922   4.000  -0.658  -2.670
 2871TIP3    H214923   3.939  -0.566  -2.772
 2872TIP3   OH214924   4.049  -0.389  -2.501
 2872TIP3    H114925   4.008  -0.454  -2.562
 2872TIP3    H214926   3.976  -0.327  -2.486
 2873TIP3   OH214927   3.961   1.306  -4.175
 2873TIP3    H114928   4.054   1.327  -4.161
 2873TIP3    H214929   3.933   1.372  -4.240
 2874TIP3   OH214930   3.331   0.725  -4.201
 2874TIP3    H114931   3.425   0.749  -4.200
 2874TIP3    H214932   3.325   0.658  -4.272
 2875TIP3   OH214933   3.237   1.269  -3.721
 2875TIP3    H114934   3.164   1.234  -3.776
 2875TIP3    H214935   3.242   1.202  -3.650
 2876TIP3   OH214936   3.273   1.073  -3.520
 2876TIP3    H114937   3.243   0.986  -3.490
 2876TIP3    H214938   3.307   1.108  -3.436
 2877TIP3   OH214939   3.280   0.409  -3.280
 2877TIP3    H114940   3.306   0.411  -3.374
 2877TIP3    H214941   3.366   0.385  -3.239
 2878TIP3   OH214942   3.272  -0.058  -2.640
 2878TIP3    H114943   3.365  -0.085  -2.636
 2878TIP3    H214944   3.227  -0.144  -2.632
 2879TIP3   OH214945   3.350  -0.231  -3.360
 2879TIP3    H114946   3.390  -0.320  -3.352
 2879TIP3    H214947   3.422  -0.175  -3.325
 2880TIP3   OH214948   3.203   0.043  -3.255
 2880TIP3    H114949   3.261   0.036  -3.333
 2880TIP3    H214950   3.241   0.119  -3.210
 2881TIP3   OH214951   3.251  -0.317  -3.848
 2881TIP3    H114952   3.157  -0.320  -3.871
 2881TIP3    H214953   3.290  -0.263  -3.918
 2882TIP3   OH214954   3.252  -0.433  -3.030
 2882TIP3    H114955   3.178  -0.453  -2.972
 2882TIP3    H214956   3.207  -0.385  -3.102
 2883TIP3   OH214957   3.456   0.881  -2.567
 2883TIP3    H114958   3.383   0.872  -2.630
 2883TIP3    H214959   3.411   0.867  -2.482
 2884TIP3   OH214960   3.740   0.973  -3.001
 2884TIP3    H114961   3.709   1.059  -3.035
 2884TIP3    H214962   3.836   0.982  -3.017
 2885TIP3   OH214963   4.221   1.134  -2.710
 2885TIP3    H114964   4.205   1.100  -2.621
 2885TIP3    H214965   4.315   1.158  -2.702
 2886TIP3   OH214966   3.478   1.270  -2.966
 2886TIP3    H114967   3.418   1.332  -3.010
 2886TIP3    H214968   3.443   1.271  -2.877
 2887TIP3   OH214969   3.729   1.246  -3.109
 2887TIP3    H114970   3.644   1.265  -3.065
 2887TIP3    H214971   3.733   1.316  -3.177
 2888TIP3   OH214972   4.197   1.224  -3.155
 2888TIP3    H114973   4.178   1.273  -3.236
 2888TIP3    H214974   4.259   1.283  -3.109
 2889TIP3   OH214975   3.435   1.149  -3.271
 2889TIP3    H114976   3.433   1.099  -3.186
 2889TIP3    H214977   3.511   1.104  -3.315
 2890TIP3   OH214978   3.637   1.023  -3.429
 2890TIP3    H114979   3.620   0.931  -3.401
 2890TIP3    H214980   3.727   1.038  -3.395
 2891TIP3   OH214981   3.913   1.071  -3.340
 2891TIP3    H114982   3.932   0.978  -3.360
 2891TIP3    H214983   3.921   1.070  -3.243
 2892TIP3   OH214984   4.260  -0.373  -3.404
 2892TIP3    H114985   4.179  -0.426  -3.391
 2892TIP3    H214986   4.295  -0.412  -3.484
 2893TIP3   OH214987   3.490  -0.473  -3.652
 2893TIP3    H114988   3.401  -0.489  -3.690
 2893TIP3    H214989   3.527  -0.563  -3.653
 2894TIP3   OH214990   3.356  -0.513  -4.082
 2894TIP3    H114991   3.418  -0.451  -4.127
 2894TIP3    H214992   3.327  -0.461  -4.006
 2895TIP3   OH214993   3.931  -0.474  -3.665
 2895TIP3    H114994   4.027  -0.461  -3.670
 2895TIP3    H214995   3.920  -0.499  -3.573
 2896TIP3   OH214996   3.371   1.075  -3.969
 2896TIP3    H114997   3.296   1.073  -4.031
 2896TIP3    H214998   3.368   1.168  -3.941
 2897TIP3   OH214999   3.528  -0.339  -4.232
 2897TIP3    H115000   3.580  -0.404  -4.281
 2897TIP3    H215001   3.597  -0.294  -4.180
 2898TIP3   OH215002   4.074  -0.324  -3.968
 2898TIP3    H115003   4.061  -0.388  -3.896
 2898TIP3    H215004   4.061  -0.239  -3.921
 2899TIP3   OH215005   4.271   1.225  -4.142
 2899TIP3    H115006   4.355   1.268  -4.163
 2899TIP3    H215007   4.254   1.172  -4.223
 2900TIP3   OH215008   3.460  -0.444  -2.698
 2900TIP3    H115009   3.420  -0.525  -2.662
 2900TIP3    H215010   3.553  -0.460  -2.679
 2901TIP3   OH215011   3.701  -0.508  -2.526
 2901TIP3    H115012   3.782  -0.544  -2.567
 2901TIP3    H215013   3.665  -0.588  -2.483
 2902TIP3   OH215014   3.574   1.185  -4.230
 2902TIP3    H115015   3.525   1.208  -4.150
 2902TIP3    H215016   3.629   1.111  -4.203
 2903TIP3   OH215017  -3.161   2.289  -3.628
 2903TIP3    H115018  -3.160   2.385  -3.615
 2903TIP3    H215019  -3.237   2.278  -3.685
 2904TIP3   OH215020  -3.274   2.234  -3.321
 2904TIP3    H115021  -3.276   2.179  -3.241
 2904TIP3    H215022  -3.303   2.172  -3.389
 2905TIP3   OH215023  -4.027   2.193  -3.157
 2905TIP3    H115024  -4.032   2.120  -3.092
 2905TIP3    H215025  -3.960   2.249  -3.116
 2906TIP3   OH215026  -2.908   2.508  -3.488
 2906TIP3    H115027  -2.944   2.438  -3.432
 2906TIP3    H215028  -2.878   2.571  -3.421
 2907TIP3   OH215029  -3.960   2.655  -3.304
 2907TIP3    H115030  -3.988   2.565  -3.331
 2907TIP3    H215031  -3.865   2.640  -3.286
 2908TIP3   OH215032  -4.210   2.021  -3.870
 2908TIP3    H115033  -4.237   2.108  -3.838
 2908TIP3    H215034  -4.296   1.980  -3.887
 2909TIP3   OH215035  -4.206   2.227  -3.603
 2909TIP3    H115036  -4.186   2.170  -3.527
 2909TIP3    H215037  -4.123   2.274  -3.616
 2910TIP3   OH215038  -3.201   3.044  -3.432
 2910TIP3    H115039  -3.143   2.973  -3.464
 2910TIP3    H215040  -3.228   3.011  -3.345
 2911TIP3   OH215041  -3.426   2.485  -3.264
 2911TIP3    H115042  -3.392   2.413  -3.321
 2911TIP3    H215043  -3.345   2.501  -3.211
 2912TIP3   OH215044  -2.561   1.637  -3.198
 2912TIP3    H115045  -2.534   1.699  -3.128
 2912TIP3    H215046  -2.500   1.664  -3.270
 2913TIP3   OH215047  -3.096   1.918  -3.212
 2913TIP3    H115048  -3.083   1.822  -3.207
 2913TIP3    H215049  -3.105   1.932  -3.308
 2914TIP3   OH215050  -3.799   1.719  -3.506
 2914TIP3    H115051  -3.785   1.805  -3.550
 2914TIP3    H215052  -3.835   1.667  -3.580
 2915TIP3   OH215053  -3.016   1.734  -3.675
 2915TIP3    H115054  -2.957   1.693  -3.608
 2915TIP3    H215055  -2.951   1.780  -3.730
 2916TIP3   OH215056  -4.139   1.992  -3.451
 2916TIP3    H115057  -4.079   1.952  -3.386
 2916TIP3    H215058  -4.119   1.939  -3.530
 2917TIP3   OH215059  -3.592   2.131  -3.509
 2917TIP3    H115060  -3.522   2.076  -3.469
 2917TIP3    H215061  -3.643   2.064  -3.557
 2918TIP3   OH215062  -2.487   1.774  -2.951
 2918TIP3    H115063  -2.545   1.847  -2.980
 2918TIP3    H215064  -2.507   1.772  -2.856
 2919TIP3   OH215065  -3.920   1.599  -3.087
 2919TIP3    H115066  -3.962   1.646  -3.161
 2919TIP3    H215067  -3.982   1.619  -3.015
 2920TIP3   OH215068  -3.171   2.574  -3.750
 2920TIP3    H115069  -3.202   2.554  -3.838
 2920TIP3    H215070  -3.214   2.659  -3.731
 2921TIP3   OH215071  -3.626   2.387  -3.077
 2921TIP3    H115072  -3.698   2.447  -3.050
 2921TIP3    H215073  -3.563   2.447  -3.120
 2922TIP3   OH215074  -2.832   1.660  -3.469
 2922TIP3    H115075  -2.874   1.605  -3.402
 2922TIP3    H215076  -2.779   1.721  -3.414
 2923TIP3   OH215077  -3.957   1.805  -3.296
 2923TIP3    H115078  -3.894   1.863  -3.250
 2923TIP3    H215079  -3.900   1.769  -3.367
 2924TIP3   OH215080  -3.828   2.573  -3.003
 2924TIP3    H115081  -3.829   2.665  -3.036
 2924TIP3    H215082  -3.916   2.569  -2.962
 2925TIP3   OH215083  -4.184   2.534  -3.914
 2925TIP3    H115084  -4.259   2.557  -3.974
 2925TIP3    H215085  -4.194   2.600  -3.844
 2926TIP3   OH215086  -2.852   2.689  -3.239
 2926TIP3    H115087  -2.948   2.703  -3.237
 2926TIP3    H215088  -2.822   2.774  -3.275
 2927TIP3   OH215089  -2.818   1.565  -3.084
 2927TIP3    H115090  -2.893   1.610  -3.126
 2927TIP3    H215091  -2.744   1.590  -3.144
 2928TIP3   OH215092  -3.498   1.338  -3.365
 2928TIP3    H115093  -3.531   1.247  -3.376
 2928TIP3    H215094  -3.580   1.384  -3.334
 2929TIP3   OH215095  -3.021   2.884  -3.582
 2929TIP3    H115096  -2.973   2.805  -3.614
 2929TIP3    H215097  -2.953   2.953  -3.592
 2930TIP3   OH215098  -2.876   2.671  -3.720
 2930TIP3    H115099  -2.927   2.624  -3.788
 2930TIP3    H215100  -2.881   2.607  -3.646
 2931TIP3   OH215101  -2.721   2.552  -2.871
 2931TIP3    H115102  -2.731   2.488  -2.944
 2931TIP3    H215103  -2.710   2.636  -2.919
 2932TIP3   OH215104  -3.292   2.239  -3.905
 2932TIP3    H115105  -3.359   2.302  -3.938
 2932TIP3    H215106  -3.220   2.250  -3.969
 2933TIP3   OH215107  -3.274   2.064  -4.205
 2933TIP3    H115108  -3.206   2.097  -4.144
 2933TIP3    H215109  -3.220   2.003  -4.260
 2934TIP3   OH215110  -2.546   2.168  -3.076
 2934TIP3    H115111  -2.618   2.235  -3.069
 2934TIP3    H215112  -2.497   2.204  -3.154
 2935TIP3   OH215113  -2.945   2.241  -3.795
 2935TIP3    H115114  -3.013   2.263  -3.727
 2935TIP3    H215115  -2.884   2.186  -3.742
 2936TIP3   OH215116  -2.960   2.096  -2.910
 2936TIP3    H115117  -2.954   2.178  -2.858
 2936TIP3    H215118  -3.024   2.126  -2.977
 2937TIP3   OH215119  -3.783   2.320  -3.616
 2937TIP3    H115120  -3.816   2.278  -3.697
 2937TIP3    H215121  -3.717   2.255  -3.584
 2938TIP3   OH215122  -3.649   2.658  -3.341
 2938TIP3    H115123  -3.658   2.623  -3.431
 2938TIP3    H215124  -3.568   2.613  -3.310
 2939TIP3   OH215125  -3.727   2.202  -3.268
 2939TIP3    H115126  -3.668   2.206  -3.346
 2939TIP3    H215127  -3.687   2.268  -3.208
 2940TIP3   OH215128  -3.132   2.752  -3.209
 2940TIP3    H115129  -3.129   2.820  -3.140
 2940TIP3    H215130  -3.154   2.670  -3.161
 2941TIP3   OH215131  -3.643   2.631  -2.783
 2941TIP3    H115132  -3.694   2.698  -2.735
 2941TIP3    H215133  -3.707   2.606  -2.853
 2942TIP3   OH215134  -3.036   2.188  -4.057
 2942TIP3    H115135  -2.994   2.215  -3.973
 2942TIP3    H215136  -2.976   2.230  -4.122
 2943TIP3   OH215137  -3.956   2.266  -2.868
 2943TIP3    H115138  -3.947   2.327  -2.792
 2943TIP3    H215139  -4.053   2.263  -2.878
 2944TIP3   OH215140  -3.304   2.847  -3.694
 2944TIP3    H115141  -3.253   2.875  -3.618
 2944TIP3    H215142  -3.350   2.928  -3.720
 2945TIP3   OH215143  -3.835   2.847  -2.700
 2945TIP3    H115144  -3.843   2.853  -2.797
 2945TIP3    H215145  -3.927   2.830  -2.672
 2946TIP3   OH215146  -2.695   1.355  -4.074
 2946TIP3    H115147  -2.786   1.375  -4.047
 2946TIP3    H215148  -2.666   1.440  -4.109
 2947TIP3   OH215149  -3.892   2.192  -3.866
 2947TIP3    H115150  -3.917   2.270  -3.918
 2947TIP3    H215151  -3.964   2.130  -3.888
 2948TIP3   OH215152  -2.590   2.787  -4.251
 2948TIP3    H115153  -2.557   2.867  -4.206
 2948TIP3    H215154  -2.516   2.724  -4.242
 2949TIP3   OH215155  -4.266   2.476  -3.010
 2949TIP3    H115156  -4.288   2.443  -3.099
 2949TIP3    H215157  -4.306   2.407  -2.954
 2950TIP3   OH215158  -4.283   2.753  -3.311
 2950TIP3    H115159  -4.196   2.714  -3.293
 2950TIP3    H215160  -4.299   2.805  -3.232
 2951TIP3   OH215161  -2.442   2.815  -2.716
 2951TIP3    H115162  -2.452   2.721  -2.738
 2951TIP3    H215163  -2.534   2.839  -2.691
 2952TIP3   OH215164  -3.378   2.737  -2.839
 2952TIP3    H115165  -3.370   2.819  -2.787
 2952TIP3    H215166  -3.468   2.708  -2.816
 2953TIP3   OH215167  -3.346   3.117  -3.846
 2953TIP3    H115168  -3.348   3.128  -3.943
 2953TIP3    H215169  -3.342   3.209  -3.815
 2954TIP3   OH215170  -3.975   3.032  -3.679
 2954TIP3    H115171  -3.954   2.990  -3.593
 2954TIP3    H215172  -4.054   2.980  -3.703
 2955TIP3   OH215173  -3.022   3.080  -4.137
 2955TIP3    H115174  -2.979   3.021  -4.202
 2955TIP3    H215175  -3.020   3.025  -4.057
 2956TIP3   OH215176  -3.075   3.006  -3.862
 2956TIP3    H115177  -3.168   3.023  -3.841
 2956TIP3    H215178  -3.053   2.938  -3.796
 2957TIP3   OH215179  -2.763   1.951  -2.678
 2957TIP3    H115180  -2.816   1.991  -2.749
 2957TIP3    H215181  -2.759   1.858  -2.707
 2958TIP3   OH215182  -4.071   2.616  -2.863
 2958TIP3    H115183  -4.042   2.559  -2.789
 2958TIP3    H215184  -4.147   2.566  -2.901
 2959TIP3   OH215185  -3.746   1.460  -3.290
 2959TIP3    H115186  -3.829   1.452  -3.341
 2959TIP3    H215187  -3.767   1.536  -3.234
 2960TIP3   OH215188  -3.311   1.419  -2.923
 2960TIP3    H115189  -3.264   1.368  -2.855
 2960TIP3    H215190  -3.403   1.390  -2.912
 2961TIP3   OH215191  -2.994   1.800  -2.873
 2961TIP3    H115192  -3.055   1.785  -2.798
 2961TIP3    H215193  -3.001   1.896  -2.888
 2962TIP3   OH215194  -2.815   2.267  -4.251
 2962TIP3    H115195  -2.860   2.252  -4.335
 2962TIP3    H215196  -2.782   2.357  -4.266
 2963TIP3   OH215197  -3.326   1.657  -4.215
 2963TIP3    H115198  -3.384   1.665  -4.138
 2963TIP3    H215199  -3.374   1.591  -4.267
 2964TIP3   OH215200  -3.761   1.942  -3.149
 2964TIP3    H115201  -3.820   1.954  -3.072
 2964TIP3    H215202  -3.755   2.033  -3.184
 2965TIP3   OH215203  -3.769   1.947  -3.660
 2965TIP3    H115204  -3.865   1.944  -3.678
 2965TIP3    H215205  -3.734   1.932  -3.750
 2966TIP3   OH215206  -3.201   2.002  -3.787
 2966TIP3    H115207  -3.240   2.086  -3.818
 2966TIP3    H215208  -3.135   1.985  -3.857
 2967TIP3   OH215209  -3.287   2.026  -2.648
 2967TIP3    H115210  -3.338   1.951  -2.611
 2967TIP3    H215211  -3.200   2.013  -2.605
 2968TIP3   OH215212  -3.122   1.944  -3.505
 2968TIP3    H115213  -3.149   2.003  -3.578
 2968TIP3    H215214  -3.101   1.864  -3.557
 2969TIP3   OH215215  -4.024   1.958  -2.965
 2969TIP3    H115216  -3.997   1.996  -2.880
 2969TIP3    H215217  -4.052   1.869  -2.938
 2970TIP3   OH215218  -3.652   1.696  -4.310
 2970TIP3    H115219  -3.691   1.671  -4.225
 2970TIP3    H215220  -3.725   1.750  -4.348
 2971TIP3   OH215221  -4.322   1.719  -3.597
 2971TIP3    H115222  -4.305   1.692  -3.505
 2971TIP3    H215223  -4.279   1.649  -3.647
 2972TIP3   OH215224  -4.207   1.758  -4.024
 2972TIP3    H115225  -4.145   1.787  -4.093
 2972TIP3    H215226  -4.286   1.808  -4.045
 2973TIP3   OH215227  -3.212   2.113  -3.059
 2973TIP3    H115228  -3.167   2.041  -3.109
 2973TIP3    H215229  -3.244   2.066  -2.981
 2974TIP3   OH215230  -3.490   1.706  -3.558
 2974TIP3    H115231  -3.585   1.704  -3.535
 2974TIP3    H215232  -3.449   1.692  -3.471
 2975TIP3   OH215233  -4.041   1.833  -3.693
 2975TIP3    H115234  -4.112   1.855  -3.755
 2975TIP3    H215235  -4.004   1.752  -3.732
 2976TIP3   OH215236  -3.673   1.867  -3.923
 2976TIP3    H115237  -3.576   1.876  -3.918
 2976TIP3    H215238  -3.698   1.927  -3.996
 2977TIP3   OH215239  -3.051   1.619  -3.256
 2977TIP3    H115240  -3.114   1.623  -3.181
 2977TIP3    H215241  -3.111   1.590  -3.326
 2978TIP3   OH215242  -3.812   1.982  -4.158
 2978TIP3    H115243  -3.874   1.934  -4.216
 2978TIP3    H215244  -3.739   2.003  -4.218
 2979TIP3   OH215245  -2.751   3.200  -2.589
 2979TIP3    H115246  -2.729   3.246  -2.672
 2979TIP3    H215247  -2.680   3.231  -2.530
 2980TIP3   OH215248  -3.953   2.460  -2.647
 2980TIP3    H115249  -3.890   2.465  -2.572
 2980TIP3    H215250  -4.037   2.472  -2.598
 2981TIP3   OH215251  -3.390   1.961  -3.376
 2981TIP3    H115252  -3.314   1.921  -3.420
 2981TIP3    H215253  -3.404   1.901  -3.300
 2982TIP3   OH215254  -3.871   1.599  -3.753
 2982TIP3    H115255  -3.914   1.513  -3.749
 2982TIP3    H215256  -3.789   1.578  -3.799
 2983TIP3   OH215257  -3.492   1.807  -3.149
 2983TIP3    H115258  -3.569   1.867  -3.150
 2983TIP3    H215259  -3.444   1.834  -3.069
 2984TIP3   OH215260  -3.475   2.445  -3.960
 2984TIP3    H115261  -3.553   2.398  -3.995
 2984TIP3    H215262  -3.496   2.452  -3.864
 2985TIP3   OH215263  -2.754   2.363  -3.087
 2985TIP3    H115264  -2.705   2.418  -3.151
 2985TIP3    H215265  -2.840   2.353  -3.133
 2986TIP3   OH215266  -3.060   1.723  -4.182
 2986TIP3    H115267  -3.158   1.723  -4.188
 2986TIP3    H215268  -3.040   1.801  -4.127
 2987TIP3   OH215269  -3.315   2.448  -2.828
 2987TIP3    H115270  -3.343   2.418  -2.741
 2987TIP3    H215271  -3.343   2.540  -2.829
 2988TIP3   OH215272  -3.000   1.909  -3.988
 2988TIP3    H115273  -2.914   1.893  -3.946
 2988TIP3    H215274  -2.987   1.997  -4.029
 2989TIP3   OH215275  -3.978   2.377  -3.391
 2989TIP3    H115276  -3.910   2.371  -3.460
 2989TIP3    H215277  -3.961   2.296  -3.339
 2990TIP3   OH215278  -3.233   2.581  -4.069
 2990TIP3    H115279  -3.262   2.670  -4.038
 2990TIP3    H215280  -3.311   2.528  -4.042
 2991TIP3   OH215281  -4.238   2.231  -2.823
 2991TIP3    H115282  -4.231   2.166  -2.752
 2991TIP3    H215283  -4.287   2.180  -2.892
 2992TIP3   OH215284  -3.541   2.164  -2.653
 2992TIP3    H115285  -3.575   2.139  -2.740
 2992TIP3    H215286  -3.447   2.137  -2.662
 2993TIP3   OH215287  -3.088   2.704  -2.881
 2993TIP3    H115288  -3.184   2.716  -2.887
 2993TIP3    H215289  -3.070   2.733  -2.789
 2994TIP3   OH215290  -2.531   1.921  -3.999
 2994TIP3    H115291  -2.593   1.901  -4.072
 2994TIP3    H215292  -2.517   2.016  -4.017
 2995TIP3   OH215293  -2.489   2.514  -2.723
 2995TIP3    H115294  -2.582   2.537  -2.743
 2995TIP3    H215295  -2.454   2.499  -2.813
 2996TIP3   OH215296  -2.709   2.774  -3.992
 2996TIP3    H115297  -2.735   2.698  -3.939
 2996TIP3    H215298  -2.672   2.734  -4.072
 2997TIP3   OH215299  -2.990   2.306  -3.256
 2997TIP3    H115300  -3.083   2.292  -3.280
 2997TIP3    H215301  -2.946   2.235  -3.306
 2998TIP3   OH215302  -3.727   2.715  -3.651
 2998TIP3    H115303  -3.686   2.802  -3.664
 2998TIP3    H215304  -3.819   2.733  -3.675
 2999TIP3   OH215305  -4.150   2.194  -4.163
 2999TIP3    H115306  -4.078   2.257  -4.143
 2999TIP3    H215307  -4.221   2.257  -4.187
 3000TIP3   OH215308  -3.544   2.484  -3.691
 3000TIP3    H115309  -3.571   2.575  -3.675
 3000TIP3    H215310  -3.615   2.434  -3.648
 3001TIP3   OH215311  -3.526   2.910  -3.055
 3001TIP3    H115312  -3.471   2.985  -3.084
 3001TIP3    H215313  -3.464   2.861  -2.998
 3002TIP3   OH215314  -3.682   3.004  -3.733
 3002TIP3    H115315  -3.777   3.018  -3.724
 3002TIP3    H215316  -3.647   3.092  -3.708
 3003TIP3   OH215317  -3.186   2.484  -3.099
 3003TIP3    H115318  -3.214   2.458  -3.009
 3003TIP3    H215319  -3.112   2.424  -3.115
 3004TIP3   OH215320  -2.969   2.612  -4.194
 3004TIP3    H115321  -2.921   2.568  -4.122
 3004TIP3    H215322  -3.060   2.604  -4.160
 3005TIP3   OH215323  -2.891   2.942  -2.859
 3005TIP3    H115324  -2.967   2.898  -2.902
 3005TIP3    H215325  -2.880   3.022  -2.914
 3006TIP3   OH215326  -2.481   3.059  -4.160
 3006TIP3    H115327  -2.411   3.126  -4.145
 3006TIP3    H215328  -2.560   3.111  -4.136
 3007TIP3   OH215329  -4.100   1.687  -2.887
 3007TIP3    H115330  -4.186   1.724  -2.915
 3007TIP3    H215331  -4.123   1.602  -2.846
 3008TIP3   OH215332  -2.871   2.473  -3.968
 3008TIP3    H115333  -2.897   2.403  -3.906
 3008TIP3    H215334  -2.774   2.471  -3.960
 3009TIP3   OH215335  -4.128   2.857  -3.046
 3009TIP3    H115336  -4.109   2.763  -3.035
 3009TIP3    H215337  -4.095   2.892  -2.962
 3010TIP3   OH215338  -3.520   2.717  -4.327
 3010TIP3    H115339  -3.482   2.631  -4.354
 3010TIP3    H215340  -3.574   2.690  -4.250
 3011TIP3   OH215341  -3.662   2.672  -4.078
 3011TIP3    H115342  -3.613   2.621  -4.012
 3011TIP3    H215343  -3.645   2.764  -4.050
 3012TIP3   OH215344  -3.984   2.409  -4.038
 3012TIP3    H115345  -4.058   2.449  -3.987
 3012TIP3    H215346  -3.941   2.491  -4.068
 3013TIP3   OH215347  -3.206   1.660  -3.037
 3013TIP3    H115348  -3.149   1.691  -2.966
 3013TIP3    H215349  -3.260   1.591  -2.994
 3014TIP3   OH215350  -3.146   1.617  -3.921
 3014TIP3    H115351  -3.122   1.669  -3.999
 3014TIP3    H215352  -3.101   1.664  -3.850
 3015TIP3   OH215353  -3.369   2.831  -4.028
 3015TIP3    H115354  -3.447   2.882  -4.003
 3015TIP3    H215355  -3.317   2.898  -4.075
 3016TIP3   OH215356  -3.404   1.806  -3.815
 3016TIP3    H115357  -3.328   1.866  -3.802
 3016TIP3    H215358  -3.434   1.792  -3.723
 3017TIP3   OH215359  -3.368   1.895  -2.900
 3017TIP3    H115360  -3.365   1.950  -2.819
 3017TIP3    H215361  -3.313   1.821  -2.874
 3018TIP3   OH215362  -3.338   1.510  -3.721
 3018TIP3    H115363  -3.364   1.581  -3.659
 3018TIP3    H215364  -3.271   1.556  -3.775
 3019TIP3   OH215365  -3.648   2.949  -4.025
 3019TIP3    H115366  -3.645   3.034  -4.074
 3019TIP3    H215367  -3.662   2.979  -3.933
 3020TIP3   OH215368  -3.773   1.616  -4.074
 3020TIP3    H115369  -3.771   1.694  -4.015
 3020TIP3    H215370  -3.695   1.566  -4.042
 3021TIP3   OH215371  -2.741   1.699  -2.811
 3021TIP3    H115372  -2.837   1.712  -2.826
 3021TIP3    H215373  -2.714   1.678  -2.901
 3022TIP3   OH215374  -2.890   2.082  -3.409
 3022TIP3    H115375  -2.972   2.037  -3.435
 3022TIP3    H215376  -2.842   2.010  -3.361
 3023TIP3   OH215377  -3.934   2.698  -4.152
 3023TIP3    H115378  -3.851   2.728  -4.113
 3023TIP3    H215379  -3.902   2.657  -4.234
 3024TIP3   OH215380  -4.099   1.926  -4.267
 3024TIP3    H115381  -4.103   2.016  -4.229
 3024TIP3    H215382  -4.192   1.907  -4.288
 3025TIP3   OH215383  -2.787   2.967  -3.269
 3025TIP3    H115384  -2.805   3.049  -3.320
 3025TIP3    H215385  -2.694   2.982  -3.245
 3026TIP3   OH215386  -4.024   1.408  -3.375
 3026TIP3    H115387  -4.057   1.409  -3.466
 3026TIP3    H215388  -4.071   1.331  -3.338
 3027TIP3   OH215389  -4.134   2.782  -3.744
 3027TIP3    H115390  -4.227   2.809  -3.741
 3027TIP3    H215391  -4.105   2.816  -3.830
 3028TIP3   OH215392  -4.214   3.052  -2.623
 3028TIP3    H115393  -4.151   3.053  -2.549
 3028TIP3    H215394  -4.215   2.956  -2.638
 3029TIP3   OH215395  -3.726   2.965  -2.450
 3029TIP3    H115396  -3.657   2.900  -2.429
 3029TIP3    H215397  -3.750   2.938  -2.540
 3030TIP3   OH215398  -3.305   2.901  -4.332
 3030TIP3    H115399  -3.386   2.846  -4.327
 3030TIP3    H215400  -3.240   2.832  -4.352
 3031TIP3   OH215401  -3.080   2.792  -2.593
 3031TIP3    H115402  -3.119   2.711  -2.555
 3031TIP3    H215403  -3.011   2.815  -2.528
 3032TIP3   OH215404  -2.919   2.873  -4.289
 3032TIP3    H115405  -2.895   2.791  -4.243
 3032TIP3    H215406  -2.833   2.911  -4.316
 3033TIP3   OH215407  -4.200   2.457  -2.561
 3033TIP3    H115408  -4.190   2.368  -2.598
 3033TIP3    H215409  -4.287   2.484  -2.594
 3034TIP3   OH215410  -3.779   2.464  -4.315
 3034TIP3    H115411  -3.753   2.413  -4.236
 3034TIP3    H215412  -3.699   2.466  -4.370
 3035TIP3   OH215413  -3.538   2.441  -2.582
 3035TIP3    H115414  -3.569   2.474  -2.668
 3035TIP3    H215415  -3.532   2.345  -2.598
 3036TIP3   OH215416  -3.245   2.581  -4.348
 3036TIP3    H115417  -3.230   2.593  -4.252
 3036TIP3    H215418  -3.180   2.513  -4.371
 3037TIP3   OH215419  -3.001   2.403  -2.844
 3037TIP3    H115420  -2.923   2.457  -2.863
 3037TIP3    H215421  -3.071   2.470  -2.845
 3038TIP3   OH215422  -4.135   2.125  -2.584
 3038TIP3    H115423  -4.054   2.073  -2.595
 3038TIP3    H215424  -4.123   2.158  -2.493
 3039TIP3   OH215425  -3.674   2.274  -4.091
 3039TIP3    H115426  -3.736   2.228  -4.031
 3039TIP3    H215427  -3.639   2.200  -4.144
 3040TIP3   OH215428  -3.750   2.048  -2.856
 3040TIP3    H115429  -3.805   2.127  -2.838
 3040TIP3    H215430  -3.684   2.084  -2.918
 3041TIP3   OH215431  -3.554   2.080  -4.272
 3041TIP3    H115432  -3.551   2.060  -4.367
 3041TIP3    H215433  -3.458   2.080  -4.251
 3042TIP3   OH215434  -3.219   2.319  -2.500
 3042TIP3    H115435  -3.130   2.300  -2.532
 3042TIP3    H215436  -3.244   2.235  -2.460
 3043TIP3   OH215437  -3.692   1.778  -2.741
 3043TIP3    H115438  -3.684   1.712  -2.813
 3043TIP3    H215439  -3.712   1.859  -2.791
 3044TIP3   OH215440  -3.656   1.621  -2.998
 3044TIP3    H115441  -3.605   1.677  -3.060
 3044TIP3    H215442  -3.747   1.627  -3.033
 3045TIP3   OH215443  -3.501   2.169  -2.957
 3045TIP3    H115444  -3.417   2.162  -3.005
 3045TIP3    H215445  -3.533   2.256  -2.987
 3046TIP3   OH215446  -3.045   1.962  -2.479
 3046TIP3    H115447  -3.022   1.869  -2.464
 3046TIP3    H215448  -2.957   2.003  -2.484
 3047TIP3   OH215449  -2.947   2.242  -2.629
 3047TIP3    H115450  -2.982   2.303  -2.697
 3047TIP3    H215451  -2.857   2.228  -2.665
 3048TIP3   OH215452  -3.881   1.968  -2.566
 3048TIP3    H115453  -3.930   1.884  -2.564
 3048TIP3    H215454  -3.797   1.941  -2.607
 3049TIP3   OH215455  -3.579   1.354  -2.970
 3049TIP3    H115456  -3.598   1.449  -2.983
 3049TIP3    H215457  -3.654   1.314  -3.019
 3050TIP3   OH215458  -3.458   1.814  -2.583
 3050TIP3    H115459  -3.492   1.793  -2.494
 3050TIP3    H215460  -3.538   1.795  -2.636
 3051TIP3   OH215461  -3.205   1.717  -2.698
 3051TIP3    H115462  -3.293   1.724  -2.655
 3051TIP3    H215463  -3.158   1.657  -2.637
 3052TIP3   OH215464  -3.021   1.568  -2.524
 3052TIP3    H115465  -3.035   1.472  -2.507
 3052TIP3    H215466  -3.038   1.608  -2.436
 3053TIP3   OH215467  -4.017   1.712  -2.580
 3053TIP3    H115468  -4.015   1.639  -2.644
 3053TIP3    H215469  -4.031   1.666  -2.495
 3054TIP3   OH215470  -3.601   1.307  -2.681
 3054TIP3    H115471  -3.543   1.230  -2.672
 3054TIP3    H215472  -3.601   1.322  -2.777
 3055TIP3   OH215473  -3.505   1.494  -2.497
 3055TIP3    H115474  -3.537   1.433  -2.566
 3055TIP3    H215475  -3.575   1.560  -2.491
 3056TIP3   OH215476  -3.593   3.197  -4.172
 3056TIP3    H115477  -3.498   3.213  -4.163
 3056TIP3    H215478  -3.619   3.257  -4.243
 3057TIP3   OH215479  -4.190   2.641  -4.233
 3057TIP3    H115480  -4.102   2.662  -4.193
 3057TIP3    H215481  -4.172   2.559  -4.280
 3058TIP3   OH215482  -4.275   2.965  -3.524
 3058TIP3    H115483  -4.277   2.876  -3.486
 3058TIP3    H215484  -4.243   3.015  -3.447
 3059TIP3   OH215485  -2.517   3.086  -3.218
 3059TIP3    H115486  -2.498   3.083  -3.123
 3059TIP3    H215487  -2.431   3.113  -3.254
 3060TIP3   OH215488  -2.528   3.030  -2.930
 3060TIP3    H115489  -2.576   2.954  -2.968
 3060TIP3    H215490  -2.468   2.984  -2.869
 3061TIP3   OH215491  -2.726   2.571  -2.501
 3061TIP3    H115492  -2.815   2.581  -2.463
 3061TIP3    H215493  -2.681   2.652  -2.473
 3062TIP3   OH215494  -2.586   2.456  -3.930
 3062TIP3    H115495  -2.497   2.493  -3.917
 3062TIP3    H215496  -2.589   2.393  -3.856
 3063TIP3   OH215497  -2.541   2.256  -3.732
 3063TIP3    H115498  -2.607   2.200  -3.687
 3063TIP3    H215499  -2.472   2.270  -3.664
 3064TIP3   OH215500  -2.568   2.508  -3.234
 3064TIP3    H115501  -2.505   2.460  -3.291
 3064TIP3    H215502  -2.554   2.600  -3.262
 3065TIP3   OH215503  -2.696   2.798  -3.008
 3065TIP3    H115504  -2.769   2.841  -2.960
 3065TIP3    H215505  -2.742   2.764  -3.088
 3066TIP3   OH215506  -2.515   2.221  -4.106
 3066TIP3    H115507  -2.574   2.253  -4.176
 3066TIP3    H215508  -2.530   2.290  -4.039
 3067TIP3   OH215509  -2.693   1.959  -4.218
 3067TIP3    H115510  -2.663   2.037  -4.267
 3067TIP3    H215511  -2.645   1.889  -4.263
 3068TIP3   OH215512  -2.747   2.070  -3.650
 3068TIP3    H115513  -2.756   1.975  -3.666
 3068TIP3    H215514  -2.785   2.080  -3.560
 3069TIP3   OH215515  -4.256   2.321  -3.253
 3069TIP3    H115516  -4.222   2.345  -3.341
 3069TIP3    H215517  -4.177   2.280  -3.213
 3070TIP3   OH215518  -2.686   2.264  -2.736
 3070TIP3    H115519  -2.612   2.204  -2.718
 3070TIP3    H215520  -2.642   2.347  -2.756
 3071TIP3   OH215521  -2.530   2.074  -2.613
 3071TIP3    H115522  -2.610   2.022  -2.636
 3071TIP3    H215523  -2.460   2.006  -2.617
 3072TIP3   OH215524  -2.765   1.633  -4.339
 3072TIP3    H115525  -2.710   1.625  -4.261
 3072TIP3    H215526  -2.855   1.609  -4.309
 3073TIP3   OH215527  -2.767   1.824  -3.836
 3073TIP3    H115528  -2.738   1.730  -3.829
 3073TIP3    H215529  -2.687   1.864  -3.872
 3074TIP3   OH215530  -2.737   1.881  -3.289
 3074TIP3    H115531  -2.640   1.893  -3.293
 3074TIP3    H215532  -2.751   1.887  -3.193
 3075TIP3   OH215533  -2.721   1.951  -3.008
 3075TIP3    H115534  -2.806   1.991  -2.980
 3075TIP3    H215535  -2.668   2.031  -3.028
 3076TIP3   OH215536  -4.285   1.815  -2.647
 3076TIP3    H115537  -4.195   1.778  -2.643
 3076TIP3    H215538  -4.343   1.741  -2.625
 3077TIP3   OH215539  -2.462   1.368  -2.476
 3077TIP3    H115540  -2.423   1.297  -2.531
 3077TIP3    H215541  -2.461   1.444  -2.537
 3078TIP3   OH215542  -2.705   1.553  -3.829
 3078TIP3    H115543  -2.697   1.514  -3.740
 3078TIP3    H215544  -2.784   1.505  -3.863
 3079TIP3   OH215545  -4.195   1.671  -3.329
 3079TIP3    H115546  -4.159   1.581  -3.332
 3079TIP3    H215547  -4.115   1.724  -3.311
 3080TIP3   OH215548  -4.334   1.933  -3.245
 3080TIP3    H115549  -4.294   1.882  -3.317
 3080TIP3    H215550  -4.317   2.024  -3.273
 3081TIP3   OH215551  -2.527   1.571  -2.654
 3081TIP3    H115552  -2.615   1.612  -2.649
 3081TIP3    H215553  -2.538   1.516  -2.734
 3082TIP3   OH215554  -2.512   1.586  -4.175
 3082TIP3    H115555  -2.486   1.518  -4.238
 3082TIP3    H215556  -2.430   1.639  -4.170
 3083TIP3   OH215557  -4.314   1.545  -3.895
 3083TIP3    H115558  -4.399   1.576  -3.931
 3083TIP3    H215559  -4.255   1.615  -3.930
 3084TIP3   OH215560  -2.828   3.086  -3.641
 3084TIP3    H115561  -2.779   3.062  -3.721
 3084TIP3    H215562  -2.760   3.128  -3.587
 3085TIP3   OH215563  -4.291   1.439  -3.059
 3085TIP3    H115564  -4.359   1.432  -2.987
 3085TIP3    H215565  -4.334   1.491  -3.128
 3086TIP3   OH215566  -4.118   2.794  -2.589
 3086TIP3    H115567  -4.169   2.732  -2.641
 3086TIP3    H215568  -4.133   2.761  -2.498
 3087TIP3   OH215569  -3.802   2.860  -2.997
 3087TIP3    H115570  -3.833   2.944  -3.036
 3087TIP3    H215571  -3.706   2.869  -3.016
 3088TIP3   OH215572  -3.352   2.989  -2.699
 3088TIP3    H115573  -3.337   2.973  -2.604
 3088TIP3    H215574  -3.269   3.035  -2.724
 3089TIP3   OH215575  -3.124   3.135  -2.774
 3089TIP3    H115576  -3.054   3.071  -2.798
 3089TIP3    H215577  -3.092   3.166  -2.687
 3090TIP3   OH215578  -2.648   1.392  -2.858
 3090TIP3    H115579  -2.722   1.420  -2.915
 3090TIP3    H215580  -2.626   1.304  -2.894
 3091TIP3   OH215581  -4.070   3.164  -2.974
 3091TIP3    H115582  -4.137   3.216  -3.022
 3091TIP3    H215583  -4.101   3.173  -2.883
 3092TIP3   OH215584  -3.818   3.132  -3.110
 3092TIP3    H115585  -3.905   3.151  -3.069
 3092TIP3    H215586  -3.814   3.198  -3.181
 3093TIP3   OH215587  -3.342   3.131  -3.155
 3093TIP3    H115588  -3.379   3.176  -3.233
 3093TIP3    H215589  -3.332   3.206  -3.093
 3094TIP3   OH215590  -3.108   3.002  -3.063
 3094TIP3    H115591  -3.193   3.039  -3.096
 3094TIP3    H215592  -3.051   3.080  -3.066
 3095TIP3   OH215593  -2.856   3.175  -3.045
 3095TIP3    H115594  -2.859   3.271  -3.066
 3095TIP3    H215595  -2.826   3.140  -3.130
 3096TIP3   OH215596  -4.125   3.040  -3.276
 3096TIP3    H115597  -4.134   2.995  -3.190
 3096TIP3    H215598  -4.049   2.993  -3.315
 3097TIP3   OH215599  -3.910   2.914  -3.424
 3097TIP3    H115600  -3.926   2.821  -3.398
 3097TIP3    H215601  -3.819   2.929  -3.392
 3098TIP3   OH215602  -3.630   2.956  -3.339
 3098TIP3    H115603  -3.612   2.863  -3.362
 3098TIP3    H215604  -3.624   2.952  -3.243
 3099TIP3   OH215605  -3.295   1.546  -3.407
 3099TIP3    H115606  -3.362   1.478  -3.388
 3099TIP3    H215607  -3.239   1.501  -3.472
 3100TIP3   OH215608  -2.801   1.344  -3.369
 3100TIP3    H115609  -2.724   1.392  -3.405
 3100TIP3    H215610  -2.875   1.382  -3.420
 3101TIP3   OH215611  -2.595   1.456  -3.576
 3101TIP3    H115612  -2.523   1.414  -3.626
 3101TIP3    H215613  -2.562   1.548  -3.567
 3102TIP3   OH215614  -4.107   1.403  -3.654
 3102TIP3    H115615  -4.179   1.376  -3.712
 3102TIP3    H215616  -4.045   1.328  -3.666
 3103TIP3   OH215617  -4.180   1.368  -4.080
 3103TIP3    H115618  -4.130   1.434  -4.134
 3103TIP3    H215619  -4.229   1.426  -4.020
 3104TIP3   OH215620  -3.614   1.396  -3.660
 3104TIP3    H115621  -3.523   1.427  -3.675
 3104TIP3    H215622  -3.615   1.386  -3.564
 3105TIP3   OH215623  -3.050   1.402  -3.521
 3105TIP3    H115624  -3.032   1.394  -3.616
 3105TIP3    H215625  -3.094   1.317  -3.501
 3106TIP3   OH215626  -2.936   1.433  -3.915
 3106TIP3    H115627  -3.011   1.487  -3.946
 3106TIP3    H215628  -2.979   1.346  -3.918
 3107TIP3   OH215629  -4.180   2.979  -3.982
 3107TIP3    H115630  -4.253   2.964  -4.043
 3107TIP3    H215631  -4.190   3.072  -3.963
 3108TIP3   OH215632  -4.011   1.546  -4.231
 3108TIP3    H115633  -3.957   1.485  -4.283
 3108TIP3    H215634  -3.943   1.591  -4.177
 3109TIP3   OH215635  -3.504   1.563  -3.958
 3109TIP3    H115636  -3.465   1.507  -3.890
 3109TIP3    H215637  -3.477   1.651  -3.926
 3110TIP3   OH215638  -3.297   3.124  -4.145
 3110TIP3    H115639  -3.200   3.137  -4.150
 3110TIP3    H215640  -3.309   3.064  -4.221
 3111TIP3   OH215641  -2.636   3.044  -3.884
 3111TIP3    H115642  -2.665   2.961  -3.927
 3111TIP3    H215643  -2.657   3.110  -3.953
 3112TIP3   OH215644  -4.077   1.438  -2.707
 3112TIP3    H115645  -4.124   1.366  -2.662
 3112TIP3    H215646  -3.987   1.426  -2.672
 3113TIP3   OH215647  -3.845   1.378  -2.529
 3113TIP3    H115648  -3.763   1.342  -2.566
 3113TIP3    H215649  -3.878   1.300  -2.480
 3114TIP3   OH215650  -3.967   3.065  -4.250
 3114TIP3    H115651  -4.020   3.097  -4.176
 3114TIP3    H215652  -3.917   2.992  -4.213
 3115TIP3   OH215653  -3.033   1.288  -2.516
 3115TIP3    H115654  -3.032   1.245  -2.429
 3115TIP3    H215655  -2.938   1.286  -2.539
 3116TIP3   OH215656  -2.696   2.922  -2.639
 3116TIP3    H115657  -2.768   2.904  -2.702
 3116TIP3    H215658  -2.711   3.016  -2.621
 3117TIP3   OH215659  -1.273   2.293  -3.632
 3117TIP3    H115660  -1.277   2.388  -3.613
 3117TIP3    H215661  -1.352   2.280  -3.685
 3118TIP3   OH215662  -1.385   2.233  -3.322
 3118TIP3    H115663  -1.390   2.180  -3.241
 3118TIP3    H215664  -1.418   2.170  -3.388
 3119TIP3   OH215665  -2.141   2.192  -3.153
 3119TIP3    H115666  -2.142   2.118  -3.089
 3119TIP3    H215667  -2.071   2.248  -3.116
 3120TIP3   OH215668  -1.019   2.506  -3.488
 3120TIP3    H115669  -1.059   2.438  -3.433
 3120TIP3    H215670  -0.997   2.573  -3.422
 3121TIP3   OH215671  -2.078   2.654  -3.299
 3121TIP3    H115672  -2.099   2.563  -3.327
 3121TIP3    H215673  -1.982   2.646  -3.284
 3122TIP3   OH215674  -2.377   1.995  -3.762
 3122TIP3    H115675  -2.415   2.084  -3.752
 3122TIP3    H215676  -2.447   1.949  -3.809
 3123TIP3   OH215677  -2.297   2.242  -3.579
 3123TIP3    H115678  -2.281   2.159  -3.529
 3123TIP3    H215679  -2.213   2.255  -3.624
 3124TIP3   OH215680  -1.294   3.057  -3.415
 3124TIP3    H115681  -1.284   2.983  -3.477
 3124TIP3    H215682  -1.335   3.012  -3.339
 3125TIP3   OH215683  -1.541   2.484  -3.262
 3125TIP3    H115684  -1.507   2.414  -3.321
 3125TIP3    H215685  -1.459   2.501  -3.211
 3126TIP3   OH215686  -0.669   1.637  -3.203
 3126TIP3    H115687  -0.648   1.697  -3.129
 3126TIP3    H215688  -0.610   1.671  -3.272
 3127TIP3   OH215689  -1.210   1.918  -3.212
 3127TIP3    H115690  -1.196   1.822  -3.208
 3127TIP3    H215691  -1.220   1.932  -3.308
 3128TIP3   OH215692  -1.914   1.720  -3.505
 3128TIP3    H115693  -1.900   1.805  -3.550
 3128TIP3    H215694  -1.950   1.668  -3.579
 3129TIP3   OH215695  -1.130   1.735  -3.674
 3129TIP3    H115696  -1.072   1.692  -3.608
 3129TIP3    H215697  -1.064   1.779  -3.730
 3130TIP3   OH215698  -2.245   1.992  -3.453
 3130TIP3    H115699  -2.181   1.945  -3.397
 3130TIP3    H215700  -2.236   1.944  -3.538
 3131TIP3   OH215701  -1.706   2.132  -3.509
 3131TIP3    H115702  -1.637   2.076  -3.468
 3131TIP3    H215703  -1.757   2.065  -3.559
 3132TIP3   OH215704  -0.603   1.774  -2.952
 3132TIP3    H115705  -0.662   1.846  -2.980
 3132TIP3    H215706  -0.619   1.773  -2.857
 3133TIP3   OH215707  -2.033   1.599  -3.088
 3133TIP3    H115708  -2.073   1.649  -3.161
 3133TIP3    H215709  -2.099   1.613  -3.018
 3134TIP3   OH215710  -1.281   2.593  -3.753
 3134TIP3    H115711  -1.327   2.561  -3.830
 3134TIP3    H215712  -1.334   2.670  -3.727
 3135TIP3   OH215713  -1.740   2.387  -3.076
 3135TIP3    H115714  -1.813   2.447  -3.051
 3135TIP3    H215715  -1.679   2.447  -3.121
 3136TIP3   OH215716  -0.946   1.662  -3.470
 3136TIP3    H115717  -0.985   1.600  -3.406
 3136TIP3    H215718  -0.895   1.721  -3.413
 3137TIP3   OH215719  -2.073   1.803  -3.295
 3137TIP3    H115720  -2.009   1.861  -3.249
 3137TIP3    H215721  -2.016   1.766  -3.366
 3138TIP3   OH215722  -1.942   2.573  -3.002
 3138TIP3    H115723  -1.944   2.664  -3.038
 3138TIP3    H215724  -2.029   2.572  -2.958
 3139TIP3   OH215725  -2.312   2.547  -3.917
 3139TIP3    H115726  -2.329   2.591  -4.003
 3139TIP3    H215727  -2.294   2.621  -3.856
 3140TIP3   OH215728  -0.965   2.689  -3.240
 3140TIP3    H115729  -1.062   2.701  -3.236
 3140TIP3    H215730  -0.938   2.776  -3.274
 3141TIP3   OH215731  -0.931   1.578  -3.086
 3141TIP3    H115732  -1.009   1.615  -3.132
 3141TIP3    H215733  -0.860   1.594  -3.151
 3142TIP3   OH215734  -1.620   1.348  -3.381
 3142TIP3    H115735  -1.643   1.253  -3.386
 3142TIP3    H215736  -1.702   1.387  -3.344
 3143TIP3   OH215737  -1.138   2.875  -3.593
 3143TIP3    H115738  -1.081   2.804  -3.627
 3143TIP3    H215739  -1.078   2.951  -3.592
 3144TIP3   OH215740  -0.979   2.660  -3.730
 3144TIP3    H115741  -1.051   2.625  -3.785
 3144TIP3    H215742  -0.991   2.608  -3.648
 3145TIP3   OH215743  -0.833   2.551  -2.870
 3145TIP3    H115744  -0.847   2.489  -2.944
 3145TIP3    H215745  -0.826   2.636  -2.917
 3146TIP3   OH215746  -1.406   2.239  -3.905
 3146TIP3    H115747  -1.474   2.302  -3.936
 3146TIP3    H215748  -1.336   2.251  -3.971
 3147TIP3   OH215749  -1.389   2.065  -4.207
 3147TIP3    H115750  -1.322   2.095  -4.144
 3147TIP3    H215751  -1.334   2.004  -4.262
 3148TIP3   OH215752  -0.660   2.170  -3.076
 3148TIP3    H115753  -0.734   2.234  -3.068
 3148TIP3    H215754  -0.614   2.206  -3.155
 3149TIP3   OH215755  -1.057   2.243  -3.795
 3149TIP3    H115756  -1.127   2.265  -3.729
 3149TIP3    H215757  -1.000   2.184  -3.741
 3150TIP3   OH215758  -1.075   2.095  -2.909
 3150TIP3    H115759  -1.069   2.178  -2.858
 3150TIP3    H215760  -1.139   2.125  -2.977
 3151TIP3   OH215761  -1.901   2.318  -3.615
 3151TIP3    H115762  -1.930   2.276  -3.698
 3151TIP3    H215763  -1.832   2.257  -3.583
 3152TIP3   OH215764  -1.771   2.650  -3.339
 3152TIP3    H115765  -1.772   2.628  -3.433
 3152TIP3    H215766  -1.686   2.613  -3.310
 3153TIP3   OH215767  -1.838   2.198  -3.266
 3153TIP3    H115768  -1.783   2.205  -3.346
 3153TIP3    H215769  -1.802   2.269  -3.208
 3154TIP3   OH215770  -1.241   2.749  -3.207
 3154TIP3    H115771  -1.244   2.820  -3.141
 3154TIP3    H215772  -1.268   2.670  -3.158
 3155TIP3   OH215773  -1.758   2.628  -2.781
 3155TIP3    H115774  -1.806   2.699  -2.734
 3155TIP3    H215775  -1.820   2.607  -2.853
 3156TIP3   OH215776  -1.150   2.187  -4.056
 3156TIP3    H115777  -1.109   2.214  -3.971
 3156TIP3    H215778  -1.091   2.232  -4.120
 3157TIP3   OH215779  -2.062   2.269  -2.869
 3157TIP3    H115780  -2.057   2.330  -2.793
 3157TIP3    H215781  -2.158   2.260  -2.879
 3158TIP3   OH215782  -1.944   2.847  -2.703
 3158TIP3    H115783  -1.955   2.856  -2.800
 3158TIP3    H215784  -2.034   2.822  -2.673
 3159TIP3   OH215785  -0.808   1.352  -4.077
 3159TIP3    H115786  -0.902   1.367  -4.054
 3159TIP3    H215787  -0.779   1.442  -4.100
 3160TIP3   OH215788  -2.006   2.193  -3.863
 3160TIP3    H115789  -2.029   2.270  -3.919
 3160TIP3    H215790  -2.074   2.129  -3.889
 3161TIP3   OH215791  -0.666   2.764  -4.206
 3161TIP3    H115792  -0.678   2.861  -4.205
 3161TIP3    H215793  -0.586   2.753  -4.258
 3162TIP3   OH215794  -2.401   2.461  -2.990
 3162TIP3    H115795  -2.444   2.462  -3.077
 3162TIP3    H215796  -2.388   2.365  -2.974
 3163TIP3   OH215797  -2.395   2.752  -3.295
 3163TIP3    H115798  -2.302   2.725  -3.293
 3163TIP3    H215799  -2.398   2.815  -3.222
 3164TIP3   OH215800  -0.557   2.814  -2.718
 3164TIP3    H115801  -0.569   2.719  -2.736
 3164TIP3    H215802  -0.648   2.840  -2.691
 3165TIP3   OH215803  -1.491   2.735  -2.839
 3165TIP3    H115804  -1.483   2.819  -2.790
 3165TIP3    H215805  -1.582   2.708  -2.816
 3166TIP3   OH215806  -2.071   3.039  -3.691
 3166TIP3    H115807  -2.037   2.994  -3.611
 3166TIP3    H215808  -2.148   2.986  -3.712
 3167TIP3   OH215809  -1.133   3.072  -4.148
 3167TIP3    H115810  -1.088   3.009  -4.208
 3167TIP3    H215811  -1.136   3.023  -4.064
 3168TIP3   OH215812  -1.209   3.008  -3.858
 3168TIP3    H115813  -1.303   3.022  -3.835
 3168TIP3    H215814  -1.183   2.947  -3.787
 3169TIP3   OH215815  -0.879   1.950  -2.678
 3169TIP3    H115816  -0.929   1.991  -2.750
 3169TIP3    H215817  -0.873   1.858  -2.708
 3170TIP3   OH215818  -2.183   2.616  -2.864
 3170TIP3    H115819  -2.155   2.567  -2.784
 3170TIP3    H215820  -2.255   2.561  -2.899
 3171TIP3   OH215821  -1.861   1.463  -3.291
 3171TIP3    H115822  -1.945   1.457  -3.341
 3171TIP3    H215823  -1.883   1.535  -3.230
 3172TIP3   OH215824  -1.425   1.413  -2.920
 3172TIP3    H115825  -1.378   1.347  -2.866
 3172TIP3    H215826  -1.519   1.386  -2.911
 3173TIP3   OH215827  -1.108   1.800  -2.873
 3173TIP3    H115828  -1.169   1.786  -2.798
 3173TIP3    H215829  -1.115   1.896  -2.889
 3174TIP3   OH215830  -0.920   2.267  -4.255
 3174TIP3    H115831  -0.978   2.252  -4.331
 3174TIP3    H215832  -0.905   2.361  -4.265
 3175TIP3   OH215833  -1.442   1.659  -4.216
 3175TIP3    H115834  -1.497   1.664  -4.137
 3175TIP3    H215835  -1.488   1.591  -4.266
 3176TIP3   OH215836  -1.875   1.941  -3.148
 3176TIP3    H115837  -1.935   1.954  -3.072
 3176TIP3    H215838  -1.867   2.033  -3.184
 3177TIP3   OH215839  -1.882   1.949  -3.660
 3177TIP3    H115840  -1.977   1.940  -3.677
 3177TIP3    H215841  -1.847   1.930  -3.750
 3178TIP3   OH215842  -1.314   2.003  -3.785
 3178TIP3    H115843  -1.355   2.087  -3.818
 3178TIP3    H215844  -1.251   1.984  -3.857
 3179TIP3   OH215845  -1.400   2.025  -2.649
 3179TIP3    H115846  -1.452   1.952  -2.611
 3179TIP3    H215847  -1.313   2.013  -2.606
 3180TIP3   OH215848  -1.236   1.944  -3.505
 3180TIP3    H115849  -1.264   2.002  -3.579
 3180TIP3    H215850  -1.214   1.863  -3.556
 3181TIP3   OH215851  -2.144   1.958  -2.964
 3181TIP3    H115852  -2.113   1.989  -2.878
 3181TIP3    H215853  -2.176   1.869  -2.942
 3182TIP3   OH215854  -1.767   1.697  -4.314
 3182TIP3    H115855  -1.803   1.672  -4.227
 3182TIP3    H215856  -1.842   1.750  -4.349
 3183TIP3   OH215857  -2.459   1.702  -3.599
 3183TIP3    H115858  -2.395   1.701  -3.525
 3183TIP3    H215859  -2.407   1.667  -3.673
 3184TIP3   OH215860  -2.300   1.749  -4.038
 3184TIP3    H115861  -2.244   1.797  -4.102
 3184TIP3    H215862  -2.367   1.816  -4.017
 3185TIP3   OH215863  -1.326   2.113  -3.059
 3185TIP3    H115864  -1.282   2.041  -3.109
 3185TIP3    H215865  -1.359   2.066  -2.981
 3186TIP3   OH215866  -1.604   1.707  -3.557
 3186TIP3    H115867  -1.699   1.704  -3.536
 3186TIP3    H215868  -1.564   1.690  -3.470
 3187TIP3   OH215869  -2.149   1.829  -3.689
 3187TIP3    H115870  -2.230   1.858  -3.736
 3187TIP3    H215871  -2.120   1.752  -3.740
 3188TIP3   OH215872  -1.787   1.870  -3.922
 3188TIP3    H115873  -1.690   1.876  -3.917
 3188TIP3    H215874  -1.811   1.927  -3.997
 3189TIP3   OH215875  -1.165   1.622  -3.254
 3189TIP3    H115876  -1.231   1.623  -3.181
 3189TIP3    H215877  -1.222   1.588  -3.326
 3190TIP3   OH215878  -1.927   1.982  -4.157
 3190TIP3    H115879  -1.991   1.935  -4.212
 3190TIP3    H215880  -1.855   2.002  -4.218
 3191TIP3   OH215881  -0.863   3.197  -2.590
 3191TIP3    H115882  -0.845   3.246  -2.671
 3191TIP3    H215883  -0.797   3.233  -2.529
 3192TIP3   OH215884  -2.075   2.459  -2.647
 3192TIP3    H115885  -2.007   2.470  -2.577
 3192TIP3    H215886  -2.155   2.465  -2.591
 3193TIP3   OH215887  -1.503   1.962  -3.374
 3193TIP3    H115888  -1.429   1.919  -3.420
 3193TIP3    H215889  -1.519   1.901  -3.300
 3194TIP3   OH215890  -1.972   1.604  -3.762
 3194TIP3    H115891  -2.027   1.526  -3.747
 3194TIP3    H215892  -1.890   1.566  -3.796
 3195TIP3   OH215893  -1.606   1.809  -3.150
 3195TIP3    H115894  -1.684   1.866  -3.150
 3195TIP3    H215895  -1.559   1.835  -3.068
 3196TIP3   OH215896  -1.589   2.443  -3.959
 3196TIP3    H115897  -1.668   2.399  -3.995
 3196TIP3    H215898  -1.613   2.456  -3.864
 3197TIP3   OH215899  -0.869   2.362  -3.088
 3197TIP3    H115900  -0.821   2.418  -3.152
 3197TIP3    H215901  -0.956   2.352  -3.132
 3198TIP3   OH215902  -1.176   1.723  -4.185
 3198TIP3    H115903  -1.274   1.721  -4.187
 3198TIP3    H215904  -1.155   1.799  -4.127
 3199TIP3   OH215905  -1.429   2.447  -2.827
 3199TIP3    H115906  -1.459   2.419  -2.740
 3199TIP3    H215907  -1.457   2.540  -2.830
 3200TIP3   OH215908  -1.115   1.908  -3.988
 3200TIP3    H115909  -1.029   1.891  -3.946
 3200TIP3    H215910  -1.102   1.996  -4.029
 3201TIP3   OH215911  -2.080   2.384  -3.379
 3201TIP3    H115912  -2.023   2.377  -3.457
 3201TIP3    H215913  -2.066   2.298  -3.336
 3202TIP3   OH215914  -1.346   2.576  -4.069
 3202TIP3    H115915  -1.373   2.665  -4.040
 3202TIP3    H215916  -1.424   2.524  -4.041
 3203TIP3   OH215917  -2.353   2.214  -2.851
 3203TIP3    H115918  -2.336   2.168  -2.766
 3203TIP3    H215919  -2.413   2.153  -2.897
 3204TIP3   OH215920  -1.655   2.162  -2.652
 3204TIP3    H115921  -1.691   2.139  -2.740
 3204TIP3    H215922  -1.561   2.140  -2.665
 3205TIP3   OH215923  -1.202   2.701  -2.880
 3205TIP3    H115924  -1.298   2.716  -2.887
 3205TIP3    H215925  -1.184   2.732  -2.789
 3206TIP3   OH215926  -0.644   1.918  -3.998
 3206TIP3    H115927  -0.706   1.896  -4.071
 3206TIP3    H215928  -0.635   2.013  -4.017
 3207TIP3   OH215929  -0.603   2.515  -2.724
 3207TIP3    H115930  -0.696   2.538  -2.743
 3207TIP3    H215931  -0.569   2.500  -2.814
 3208TIP3   OH215932  -0.833   2.776  -3.994
 3208TIP3    H115933  -0.856   2.701  -3.939
 3208TIP3    H215934  -0.780   2.736  -4.066
 3209TIP3   OH215935  -1.104   2.306  -3.256
 3209TIP3    H115936  -1.197   2.292  -3.280
 3209TIP3    H215937  -1.061   2.234  -3.306
 3210TIP3   OH215938  -1.837   2.734  -3.656
 3210TIP3    H115939  -1.772   2.806  -3.674
 3210TIP3    H215940  -1.918   2.771  -3.692
 3211TIP3   OH215941  -2.232   2.203  -4.197
 3211TIP3    H115942  -2.178   2.271  -4.152
 3211TIP3    H215943  -2.322   2.227  -4.169
 3212TIP3   OH215944  -1.662   2.490  -3.692
 3212TIP3    H115945  -1.685   2.583  -3.676
 3212TIP3    H215946  -1.735   2.445  -3.648
 3213TIP3   OH215947  -1.640   2.909  -3.055
 3213TIP3    H115948  -1.588   2.986  -3.084
 3213TIP3    H215949  -1.577   2.864  -2.997
 3214TIP3   OH215950  -1.301   2.483  -3.099
 3214TIP3    H115951  -1.329   2.459  -3.009
 3214TIP3    H215952  -1.226   2.424  -3.114
 3215TIP3   OH215953  -1.087   2.599  -4.194
 3215TIP3    H115954  -1.039   2.560  -4.118
 3215TIP3    H215955  -1.177   2.599  -4.158
 3216TIP3   OH215956  -1.003   2.940  -2.862
 3216TIP3    H115957  -1.082   2.898  -2.902
 3216TIP3    H215958  -0.996   3.022  -2.913
 3217TIP3   OH215959  -0.595   3.058  -4.160
 3217TIP3    H115960  -0.526   3.125  -4.143
 3217TIP3    H215961  -0.675   3.106  -4.129
 3218TIP3   OH215962  -2.221   1.679  -2.890
 3218TIP3    H115963  -2.312   1.704  -2.917
 3218TIP3    H215964  -2.236   1.592  -2.850
 3219TIP3   OH215965  -0.985   2.466  -3.974
 3219TIP3    H115966  -1.015   2.403  -3.906
 3219TIP3    H215967  -0.891   2.475  -3.954
 3220TIP3   OH215968  -2.248   2.854  -3.049
 3220TIP3    H115969  -2.213   2.765  -3.036
 3220TIP3    H215970  -2.221   2.898  -2.967
 3221TIP3   OH215971  -1.637   2.717  -4.331
 3221TIP3    H115972  -1.599   2.630  -4.354
 3221TIP3    H215973  -1.685   2.695  -4.249
 3222TIP3   OH215974  -1.777   2.678  -4.075
 3222TIP3    H115975  -1.728   2.625  -4.011
 3222TIP3    H215976  -1.762   2.769  -4.042
 3223TIP3   OH215977  -2.093   2.409  -4.036
 3223TIP3    H115978  -2.168   2.451  -3.988
 3223TIP3    H215979  -2.046   2.489  -4.067
 3224TIP3   OH215980  -1.323   1.661  -3.036
 3224TIP3    H115981  -1.262   1.689  -2.965
 3224TIP3    H215982  -1.374   1.589  -2.993
 3225TIP3   OH215983  -1.265   1.617  -3.921
 3225TIP3    H115984  -1.234   1.667  -3.999
 3225TIP3    H215985  -1.213   1.658  -3.850
 3226TIP3   OH215986  -1.489   2.830  -4.045
 3226TIP3    H115987  -1.545   2.869  -3.974
 3226TIP3    H215988  -1.433   2.905  -4.066
 3227TIP3   OH215989  -1.519   1.808  -3.815
 3227TIP3    H115990  -1.441   1.866  -3.801
 3227TIP3    H215991  -1.549   1.792  -3.724
 3228TIP3   OH215992  -1.485   1.895  -2.900
 3228TIP3    H115993  -1.478   1.950  -2.820
 3228TIP3    H215994  -1.427   1.821  -2.878
 3229TIP3   OH215995  -1.456   1.510  -3.723
 3229TIP3    H115996  -1.478   1.580  -3.658
 3229TIP3    H215997  -1.385   1.554  -3.775
 3230TIP3   OH215998  -1.788   2.953  -4.001
 3230TIP3    H115999  -1.761   3.032  -4.051
 3230TIP3    H216000  -1.762   2.977  -3.910
 3231TIP3   OH216001  -1.885   1.617  -4.080
 3231TIP3    H116002  -1.893   1.688  -4.014
 3231TIP3    H216003  -1.810   1.566  -4.044
 3232TIP3   OH216004  -0.856   1.699  -2.810
 3232TIP3    H116005  -0.951   1.713  -2.829
 3232TIP3    H216006  -0.827   1.676  -2.899
 3233TIP3   OH216007  -1.003   2.081  -3.410
 3233TIP3    H116008  -1.086   2.037  -3.435
 3233TIP3    H216009  -0.956   2.009  -3.362
 3234TIP3   OH216010  -2.053   2.704  -4.156
 3234TIP3    H116011  -1.973   2.737  -4.112
 3234TIP3    H216012  -2.012   2.654  -4.229
 3235TIP3   OH216013  -2.227   1.923  -4.253
 3235TIP3    H116014  -2.213   2.018  -4.238
 3235TIP3    H216015  -2.316   1.922  -4.292
 3236TIP3   OH216016  -0.898   2.964  -3.270
 3236TIP3    H116017  -0.923   3.044  -3.320
 3236TIP3    H216018  -0.807   2.987  -3.246
 3237TIP3   OH216019  -2.141   1.419  -3.371
 3237TIP3    H116020  -2.158   1.416  -3.467
 3237TIP3    H216021  -2.174   1.332  -3.341
 3238TIP3   OH216022  -2.253   2.772  -3.747
 3238TIP3    H116023  -2.328   2.829  -3.725
 3238TIP3    H216024  -2.209   2.822  -3.817
 3239TIP3   OH216025  -2.311   3.058  -2.628
 3239TIP3    H116026  -2.253   3.031  -2.554
 3239TIP3    H216027  -2.350   2.973  -2.656
 3240TIP3   OH216028  -1.852   2.969  -2.453
 3240TIP3    H116029  -1.777   2.915  -2.426
 3240TIP3    H216030  -1.864   2.940  -2.545
 3241TIP3   OH216031  -1.418   2.905  -4.339
 3241TIP3    H116032  -1.499   2.854  -4.319
 3241TIP3    H216033  -1.355   2.832  -4.352
 3242TIP3   OH216034  -1.187   2.786  -2.598
 3242TIP3    H116035  -1.230   2.709  -2.557
 3242TIP3    H216036  -1.125   2.816  -2.529
 3243TIP3   OH216037  -1.013   2.851  -4.293
 3243TIP3    H116038  -0.980   2.789  -4.227
 3243TIP3    H216039  -0.939   2.914  -4.308
 3244TIP3   OH216040  -2.318   2.419  -2.514
 3244TIP3    H116041  -2.305   2.332  -2.554
 3244TIP3    H216042  -2.392   2.453  -2.568
 3245TIP3   OH216043  -1.888   2.480  -4.307
 3245TIP3    H116044  -1.875   2.412  -4.241
 3245TIP3    H216045  -1.818   2.463  -4.371
 3246TIP3   OH216046  -1.653   2.439  -2.582
 3246TIP3    H116047  -1.683   2.476  -2.667
 3246TIP3    H216048  -1.648   2.343  -2.600
 3247TIP3   OH216049  -1.359   2.582  -4.348
 3247TIP3    H116050  -1.347   2.595  -4.252
 3247TIP3    H216051  -1.296   2.510  -4.366
 3248TIP3   OH216052  -1.116   2.403  -2.843
 3248TIP3    H116053  -1.038   2.458  -2.862
 3248TIP3    H216054  -1.186   2.470  -2.844
 3249TIP3   OH216055  -2.230   2.133  -2.600
 3249TIP3    H116056  -2.160   2.066  -2.597
 3249TIP3    H216057  -2.234   2.158  -2.506
 3250TIP3   OH216058  -1.788   2.272  -4.091
 3250TIP3    H116059  -1.849   2.226  -4.031
 3250TIP3    H216060  -1.752   2.198  -4.144
 3251TIP3   OH216061  -1.866   2.049  -2.855
 3251TIP3    H116062  -1.920   2.129  -2.838
 3251TIP3    H216063  -1.800   2.083  -2.918
 3252TIP3   OH216064  -1.668   2.082  -4.274
 3252TIP3    H116065  -1.665   2.058  -4.367
 3252TIP3    H216066  -1.572   2.080  -4.251
 3253TIP3   OH216067  -1.334   2.319  -2.499
 3253TIP3    H116068  -1.244   2.302  -2.531
 3253TIP3    H216069  -1.357   2.234  -2.460
 3254TIP3   OH216070  -1.804   1.781  -2.747
 3254TIP3    H116071  -1.798   1.713  -2.817
 3254TIP3    H216072  -1.824   1.861  -2.799
 3255TIP3   OH216073  -1.769   1.620  -2.995
 3255TIP3    H116074  -1.717   1.670  -3.061
 3255TIP3    H216075  -1.860   1.622  -3.033
 3256TIP3   OH216076  -1.615   2.169  -2.955
 3256TIP3    H116077  -1.532   2.163  -3.005
 3256TIP3    H216078  -1.648   2.256  -2.986
 3257TIP3   OH216079  -1.160   1.962  -2.478
 3257TIP3    H116080  -1.133   1.870  -2.465
 3257TIP3    H216081  -1.073   2.006  -2.484
 3258TIP3   OH216082  -1.061   2.241  -2.630
 3258TIP3    H116083  -1.097   2.303  -2.697
 3258TIP3    H216084  -0.972   2.227  -2.667
 3259TIP3   OH216085  -1.975   1.953  -2.553
 3259TIP3    H116086  -2.034   1.877  -2.562
 3259TIP3    H216087  -1.902   1.929  -2.612
 3260TIP3   OH216088  -1.694   1.353  -2.924
 3260TIP3    H116089  -1.721   1.446  -2.939
 3260TIP3    H216090  -1.761   1.305  -2.977
 3261TIP3   OH216091  -1.572   1.809  -2.584
 3261TIP3    H116092  -1.610   1.783  -2.498
 3261TIP3    H216093  -1.651   1.796  -2.641
 3262TIP3   OH216094  -1.323   1.715  -2.699
 3262TIP3    H116095  -1.408   1.730  -2.654
 3262TIP3    H216096  -1.273   1.662  -2.633
 3263TIP3   OH216097  -1.149   1.572  -2.524
 3263TIP3    H116098  -1.137   1.477  -2.504
 3263TIP3    H216099  -1.153   1.614  -2.436
 3264TIP3   OH216100  -2.122   1.710  -2.581
 3264TIP3    H116101  -2.126   1.638  -2.646
 3264TIP3    H216102  -2.141   1.662  -2.498
 3265TIP3   OH216103  -1.706   3.187  -4.179
 3265TIP3    H116104  -1.617   3.209  -4.147
 3265TIP3    H216105  -1.727   3.260  -4.239
 3266TIP3   OH216106  -2.323   2.603  -4.196
 3266TIP3    H116107  -2.233   2.640  -4.197
 3266TIP3    H216108  -2.326   2.550  -4.277
 3267TIP3   OH216109  -2.422   3.155  -3.720
 3267TIP3    H116110  -2.494   3.118  -3.775
 3267TIP3    H216111  -2.413   3.088  -3.650
 3268TIP3   OH216112  -2.386   2.960  -3.519
 3268TIP3    H116113  -2.412   2.872  -3.488
 3268TIP3    H216114  -2.346   2.994  -3.438
 3269TIP3   OH216115  -0.628   3.080  -3.220
 3269TIP3    H116116  -0.615   3.084  -3.124
 3269TIP3    H216117  -0.544   3.116  -3.251
 3270TIP3   OH216118  -0.640   3.029  -2.932
 3270TIP3    H116119  -0.692   2.955  -2.967
 3270TIP3    H216120  -0.584   2.982  -2.868
 3271TIP3   OH216121  -0.840   2.570  -2.501
 3271TIP3    H116122  -0.929   2.581  -2.465
 3271TIP3    H216123  -0.796   2.652  -2.473
 3272TIP3   OH216124  -0.692   2.453  -3.933
 3272TIP3    H116125  -0.605   2.486  -3.903
 3272TIP3    H216126  -0.712   2.391  -3.861
 3273TIP3   OH216127  -0.651   2.254  -3.731
 3273TIP3    H116128  -0.722   2.201  -3.688
 3273TIP3    H216129  -0.587   2.268  -3.659
 3274TIP3   OH216130  -0.679   2.505  -3.232
 3274TIP3    H116131  -0.616   2.463  -3.292
 3274TIP3    H216132  -0.674   2.598  -3.261
 3275TIP3   OH216133  -0.811   2.797  -3.008
 3275TIP3    H116134  -0.883   2.842  -2.960
 3275TIP3    H216135  -0.857   2.765  -3.088
 3276TIP3   OH216136  -0.621   2.228  -4.108
 3276TIP3    H116137  -0.693   2.241  -4.172
 3276TIP3    H216138  -0.650   2.289  -4.037
 3277TIP3   OH216139  -0.801   1.964  -4.214
 3277TIP3    H116140  -0.777   2.032  -4.279
 3277TIP3    H216141  -0.771   1.884  -4.259
 3278TIP3   OH216142  -0.859   2.072  -3.650
 3278TIP3    H116143  -0.868   1.977  -3.667
 3278TIP3    H216144  -0.899   2.080  -3.561
 3279TIP3   OH216145  -2.377   2.290  -3.280
 3279TIP3    H116146  -2.352   2.299  -3.373
 3279TIP3    H216147  -2.289   2.272  -3.240
 3280TIP3   OH216148  -0.801   2.263  -2.737
 3280TIP3    H116149  -0.726   2.204  -2.717
 3280TIP3    H216150  -0.757   2.347  -2.755
 3281TIP3   OH216151  -0.644   2.074  -2.615
 3281TIP3    H116152  -0.724   2.021  -2.637
 3281TIP3    H216153  -0.575   2.006  -2.617
 3282TIP3   OH216154  -0.895   1.655  -4.333
 3282TIP3    H116155  -0.821   1.605  -4.295
 3282TIP3    H216156  -0.974   1.609  -4.300
 3283TIP3   OH216157  -0.881   1.825  -3.836
 3283TIP3    H116158  -0.856   1.730  -3.829
 3283TIP3    H216159  -0.799   1.861  -3.873
 3284TIP3   OH216160  -0.851   1.881  -3.288
 3284TIP3    H116161  -0.754   1.892  -3.290
 3284TIP3    H216162  -0.866   1.884  -3.192
 3285TIP3   OH216163  -0.835   1.952  -3.006
 3285TIP3    H116164  -0.921   1.991  -2.980
 3285TIP3    H216165  -0.783   2.032  -3.027
 3286TIP3   OH216166  -2.385   1.827  -2.640
 3286TIP3    H116167  -2.291   1.801  -2.636
 3286TIP3    H216168  -2.430   1.741  -2.633
 3287TIP3   OH216169  -0.583   1.364  -2.477
 3287TIP3    H116170  -0.537   1.295  -2.529
 3287TIP3    H216171  -0.576   1.442  -2.535
 3288TIP3   OH216172  -0.832   1.549  -3.830
 3288TIP3    H116173  -0.817   1.510  -3.742
 3288TIP3    H216174  -0.906   1.494  -3.863
 3289TIP3   OH216175  -2.309   1.661  -3.358
 3289TIP3    H116176  -2.261   1.576  -3.352
 3289TIP3    H216177  -2.240   1.722  -3.325
 3290TIP3   OH216178  -2.454   1.929  -3.255
 3290TIP3    H116179  -2.396   1.925  -3.333
 3290TIP3    H216180  -2.417   2.006  -3.210
 3291TIP3   OH216181  -0.640   1.572  -2.652
 3291TIP3    H116182  -0.728   1.613  -2.649
 3291TIP3    H216183  -0.651   1.516  -2.731
 3292TIP3   OH216184  -0.617   1.577  -4.158
 3292TIP3    H116185  -0.613   1.532  -4.246
 3292TIP3    H216186  -0.540   1.635  -4.171
 3293TIP3   OH216187  -2.403   1.564  -3.852
 3293TIP3    H116188  -2.499   1.566  -3.871
 3293TIP3    H216189  -2.366   1.624  -3.920
 3294TIP3   OH216190  -0.944   3.083  -3.645
 3294TIP3    H116191  -0.888   3.057  -3.720
 3294TIP3    H216192  -0.880   3.126  -3.586
 3295TIP3   OH216193  -2.399   1.454  -3.031
 3295TIP3    H116194  -2.471   1.421  -2.975
 3295TIP3    H216195  -2.449   1.503  -3.099
 3296TIP3   OH216196  -2.202   2.748  -2.565
 3296TIP3    H116197  -2.273   2.758  -2.630
 3296TIP3    H216198  -2.248   2.766  -2.481
 3297TIP3   OH216199  -1.918   2.860  -2.999
 3297TIP3    H116200  -1.947   2.945  -3.036
 3297TIP3    H216201  -1.822   2.868  -3.017
 3298TIP3   OH216202  -1.464   2.987  -2.706
 3298TIP3    H116203  -1.455   2.976  -2.610
 3298TIP3    H216204  -1.382   3.036  -2.728
 3299TIP3   OH216205  -1.235   3.138  -2.775
 3299TIP3    H116206  -1.168   3.071  -2.796
 3299TIP3    H216207  -1.206   3.167  -2.686
 3300TIP3   OH216208  -0.756   1.393  -2.853
 3300TIP3    H116209  -0.834   1.413  -2.908
 3300TIP3    H216210  -0.731   1.304  -2.887
 3301TIP3   OH216211  -2.183   3.151  -2.965
 3301TIP3    H116212  -2.239   3.217  -3.011
 3301TIP3    H216213  -2.213   3.162  -2.874
 3302TIP3   OH216214  -1.931   3.130  -3.110
 3302TIP3    H116215  -2.016   3.153  -3.067
 3302TIP3    H216216  -1.924   3.198  -3.179
 3303TIP3   OH216217  -1.458   3.128  -3.152
 3303TIP3    H116218  -1.496   3.170  -3.232
 3303TIP3    H216219  -1.449   3.206  -3.094
 3304TIP3   OH216220  -1.224   3.002  -3.061
 3304TIP3    H116221  -1.308   3.037  -3.096
 3304TIP3    H216222  -1.168   3.081  -3.067
 3305TIP3   OH216223  -0.966   3.175  -3.044
 3305TIP3    H116224  -0.974   3.270  -3.064
 3305TIP3    H216225  -0.942   3.141  -3.132
 3306TIP3   OH216226  -2.225   3.033  -3.272
 3306TIP3    H116227  -2.224   2.986  -3.186
 3306TIP3    H216228  -2.147   2.992  -3.316
 3307TIP3   OH216229  -2.021   2.912  -3.422
 3307TIP3    H116230  -2.032   2.818  -3.400
 3307TIP3    H216231  -1.928   2.928  -3.395
 3308TIP3   OH216232  -1.753   2.957  -3.336
 3308TIP3    H116233  -1.719   2.873  -3.370
 3308TIP3    H216234  -1.737   2.948  -3.241
 3309TIP3   OH216235  -1.410   1.543  -3.407
 3309TIP3    H116236  -1.481   1.476  -3.395
 3309TIP3    H216237  -1.351   1.499  -3.470
 3310TIP3   OH216238  -0.916   1.350  -3.361
 3310TIP3    H116239  -0.840   1.391  -3.405
 3310TIP3    H216240  -0.990   1.376  -3.419
 3311TIP3   OH216241  -0.709   1.457  -3.575
 3311TIP3    H116242  -0.638   1.413  -3.626
 3311TIP3    H216243  -0.676   1.549  -3.569
 3312TIP3   OH216244  -2.175   1.416  -3.652
 3312TIP3    H116245  -2.261   1.404  -3.697
 3312TIP3    H216246  -2.134   1.329  -3.668
 3313TIP3   OH216247  -2.298   1.372  -4.080
 3313TIP3    H116248  -2.238   1.434  -4.127
 3313TIP3    H216249  -2.330   1.427  -4.008
 3314TIP3   OH216250  -1.729   1.398  -3.666
 3314TIP3    H116251  -1.638   1.429  -3.680
 3314TIP3    H216252  -1.732   1.390  -3.570
 3315TIP3   OH216253  -1.167   1.403  -3.524
 3315TIP3    H116254  -1.144   1.389  -3.616
 3315TIP3    H216255  -1.207   1.317  -3.500
 3316TIP3   OH216256  -1.064   1.400  -3.921
 3316TIP3    H116257  -1.144   1.446  -3.952
 3316TIP3    H216258  -1.097   1.308  -3.915
 3317TIP3   OH216259  -2.290   2.961  -3.966
 3317TIP3    H116260  -2.362   2.961  -4.032
 3317TIP3    H216261  -2.287   3.054  -3.941
 3318TIP3   OH216262  -2.128   1.541  -4.228
 3318TIP3    H116263  -2.072   1.484  -4.282
 3318TIP3    H216264  -2.062   1.593  -4.179
 3319TIP3   OH216265  -1.618   1.561  -3.959
 3319TIP3    H116266  -1.578   1.508  -3.889
 3319TIP3    H216267  -1.594   1.650  -3.928
 3320TIP3   OH216268  -1.412   3.133  -4.140
 3320TIP3    H116269  -1.315   3.143  -4.143
 3320TIP3    H216270  -1.426   3.065  -4.208
 3321TIP3   OH216271  -0.747   3.043  -3.886
 3321TIP3    H116272  -0.782   2.962  -3.928
 3321TIP3    H216273  -0.774   3.112  -3.950
 3322TIP3   OH216274  -2.197   1.439  -2.700
 3322TIP3    H116275  -2.237   1.357  -2.665
 3322TIP3    H216276  -2.104   1.426  -2.675
 3323TIP3   OH216277  -1.958   1.373  -2.530
 3323TIP3    H116278  -1.879   1.328  -2.562
 3323TIP3    H216279  -2.003   1.301  -2.484
 3324TIP3   OH216280  -2.091   3.066  -4.232
 3324TIP3    H116281  -2.127   3.095  -4.147
 3324TIP3    H216282  -2.020   3.006  -4.206
 3325TIP3   OH216283  -1.156   1.289  -2.505
 3325TIP3    H116284  -1.140   1.248  -2.417
 3325TIP3    H216285  -1.065   1.287  -2.541
 3326TIP3   OH216286  -0.808   2.922  -2.641
 3326TIP3    H116287  -0.882   2.904  -2.702
 3326TIP3    H216288  -0.826   3.016  -2.620
 3327TIP3   OH216289   0.609   2.289  -3.626
 3327TIP3    H116290   0.610   2.385  -3.615
 3327TIP3    H216291   0.536   2.278  -3.688
 3328TIP3   OH216292   0.497   2.231  -3.317
 3328TIP3    H116293   0.494   2.175  -3.239
 3328TIP3    H216294   0.472   2.169  -3.387
 3329TIP3   OH216295  -0.185   2.179  -3.156
 3329TIP3    H116296  -0.234   2.114  -3.100
 3329TIP3    H216297  -0.189   2.257  -3.098
 3330TIP3   OH216298   0.864   2.508  -3.488
 3330TIP3    H116299   0.827   2.437  -3.433
 3330TIP3    H216300   0.893   2.571  -3.421
 3331TIP3   OH216301  -0.188   2.656  -3.302
 3331TIP3    H116302  -0.209   2.563  -3.326
 3331TIP3    H216303  -0.094   2.647  -3.279
 3332TIP3   OH216304  -0.491   2.003  -3.762
 3332TIP3    H116305  -0.540   2.086  -3.754
 3332TIP3    H216306  -0.556   1.945  -3.804
 3333TIP3   OH216307  -0.405   2.243  -3.569
 3333TIP3    H116308  -0.394   2.155  -3.528
 3333TIP3    H216309  -0.325   2.248  -3.624
 3334TIP3   OH216310   0.568   3.043  -3.433
 3334TIP3    H116311   0.629   2.973  -3.464
 3334TIP3    H216312   0.543   3.010  -3.345
 3335TIP3   OH216313   0.344   2.482  -3.262
 3335TIP3    H116314   0.380   2.413  -3.320
 3335TIP3    H216315   0.425   2.502  -3.212
 3336TIP3   OH216316   1.212   1.637  -3.198
 3336TIP3    H116317   1.238   1.699  -3.128
 3336TIP3    H216318   1.273   1.664  -3.269
 3337TIP3   OH216319   0.674   1.918  -3.212
 3337TIP3    H116320   0.692   1.823  -3.208
 3337TIP3    H216321   0.668   1.931  -3.308
 3338TIP3   OH216322  -0.034   1.725  -3.500
 3338TIP3    H116323  -0.016   1.806  -3.553
 3338TIP3    H216324  -0.068   1.667  -3.571
 3339TIP3   OH216325   0.755   1.736  -3.674
 3339TIP3    H116326   0.813   1.693  -3.607
 3339TIP3    H216327   0.822   1.779  -3.730
 3340TIP3   OH216328  -0.350   1.992  -3.453
 3340TIP3    H116329  -0.296   1.937  -3.395
 3340TIP3    H216330  -0.346   1.942  -3.536
 3341TIP3   OH216331   0.145   2.118  -3.461
 3341TIP3    H116332   0.231   2.076  -3.440
 3341TIP3    H216333   0.113   2.062  -3.534
 3342TIP3   OH216334   1.284   1.775  -2.951
 3342TIP3    H116335   1.225   1.848  -2.979
 3342TIP3    H216336   1.266   1.773  -2.856
 3343TIP3   OH216337  -0.152   1.593  -3.092
 3343TIP3    H116338  -0.183   1.658  -3.157
 3343TIP3    H216339  -0.215   1.607  -3.019
 3344TIP3   OH216340   0.600   2.574  -3.750
 3344TIP3    H116341   0.570   2.554  -3.839
 3344TIP3    H216342   0.557   2.659  -3.731
 3345TIP3   OH216343   0.111   2.360  -3.112
 3345TIP3    H116344   0.052   2.429  -3.075
 3345TIP3    H216345   0.184   2.413  -3.148
 3346TIP3   OH216346   0.937   1.662  -3.469
 3346TIP3    H116347   0.904   1.598  -3.405
 3346TIP3    H216348   0.990   1.721  -3.412
 3347TIP3   OH216349  -0.155   1.818  -3.274
 3347TIP3    H116350  -0.097   1.894  -3.263
 3347TIP3    H216351  -0.113   1.774  -3.352
 3348TIP3   OH216352  -0.052   2.568  -3.006
 3348TIP3    H116353  -0.053   2.661  -3.034
 3348TIP3    H216354  -0.138   2.564  -2.959
 3349TIP3   OH216355  -0.423   2.560  -3.932
 3349TIP3    H116356  -0.479   2.622  -3.979
 3349TIP3    H216357  -0.397   2.616  -3.855
 3350TIP3   OH216358   0.920   2.689  -3.239
 3350TIP3    H116359   0.823   2.702  -3.237
 3350TIP3    H216360   0.948   2.775  -3.275
 3351TIP3   OH216361   0.954   1.574  -3.086
 3351TIP3    H116362   0.875   1.613  -3.129
 3351TIP3    H216363   1.025   1.595  -3.150
 3352TIP3   OH216364   0.266   1.348  -3.381
 3352TIP3    H116365   0.244   1.253  -3.386
 3352TIP3    H216366   0.183   1.386  -3.343
 3353TIP3   OH216367   0.750   2.883  -3.583
 3353TIP3    H116368   0.799   2.805  -3.614
 3353TIP3    H216369   0.818   2.953  -3.592
 3354TIP3   OH216370   0.896   2.670  -3.721
 3354TIP3    H116371   0.844   2.623  -3.788
 3354TIP3    H216372   0.891   2.607  -3.646
 3355TIP3   OH216373   1.049   2.553  -2.871
 3355TIP3    H116374   1.040   2.487  -2.942
 3355TIP3    H216375   1.062   2.635  -2.921
 3356TIP3   OH216376   0.478   2.242  -3.905
 3356TIP3    H116377   0.412   2.303  -3.943
 3356TIP3    H216378   0.551   2.250  -3.968
 3357TIP3   OH216379   0.496   2.064  -4.205
 3357TIP3    H116380   0.566   2.096  -4.145
 3357TIP3    H216381   0.550   2.003  -4.261
 3358TIP3   OH216382   1.226   2.168  -3.077
 3358TIP3    H116383   1.154   2.233  -3.067
 3358TIP3    H216384   1.273   2.204  -3.155
 3359TIP3   OH216385   0.827   2.242  -3.794
 3359TIP3    H116386   0.759   2.263  -3.726
 3359TIP3    H216387   0.887   2.185  -3.742
 3360TIP3   OH216388   0.810   2.098  -2.907
 3360TIP3    H116389   0.818   2.180  -2.856
 3360TIP3    H216390   0.745   2.127  -2.973
 3361TIP3   OH216391  -0.016   2.319  -3.617
 3361TIP3    H116392  -0.043   2.273  -3.699
 3361TIP3    H216393   0.044   2.256  -3.576
 3362TIP3   OH216394   0.122   2.659  -3.341
 3362TIP3    H116395   0.115   2.620  -3.429
 3362TIP3    H216396   0.201   2.615  -3.306
 3363TIP3   OH216397   0.640   2.752  -3.209
 3363TIP3    H116398   0.642   2.820  -3.139
 3363TIP3    H216399   0.618   2.670  -3.161
 3364TIP3   OH216400   0.129   2.636  -2.784
 3364TIP3    H116401   0.077   2.702  -2.736
 3364TIP3    H216402   0.065   2.608  -2.853
 3365TIP3   OH216403   0.734   2.189  -4.057
 3365TIP3    H116404   0.777   2.214  -3.972
 3365TIP3    H216405   0.795   2.231  -4.121
 3366TIP3   OH216406  -0.194   2.291  -2.891
 3366TIP3    H116407  -0.171   2.329  -2.805
 3366TIP3    H216408  -0.284   2.257  -2.874
 3367TIP3   OH216409   0.466   2.847  -3.694
 3367TIP3    H116410   0.518   2.874  -3.618
 3367TIP3    H216411   0.421   2.929  -3.720
 3368TIP3   OH216412  -0.060   2.851  -2.702
 3368TIP3    H116413  -0.072   2.855  -2.799
 3368TIP3    H216414  -0.148   2.824  -2.670
 3369TIP3   OH216415   1.061   1.345  -4.057
 3369TIP3    H116416   0.973   1.373  -4.024
 3369TIP3    H216417   1.087   1.420  -4.113
 3370TIP3   OH216418  -0.122   2.192  -3.859
 3370TIP3    H116419  -0.142   2.266  -3.919
 3370TIP3    H216420  -0.185   2.125  -3.885
 3371TIP3   OH216421   1.180   2.786  -4.249
 3371TIP3    H116422   1.212   2.867  -4.207
 3371TIP3    H216423   1.256   2.725  -4.242
 3372TIP3   OH216424  -0.513   2.461  -2.991
 3372TIP3    H116425  -0.563   2.461  -3.075
 3372TIP3    H216426  -0.505   2.366  -2.971
 3373TIP3   OH216427  -0.508   2.753  -3.298
 3373TIP3    H116428  -0.415   2.727  -3.288
 3373TIP3    H216429  -0.519   2.815  -3.224
 3374TIP3   OH216430   1.329   2.815  -2.720
 3374TIP3    H116431   1.318   2.719  -2.737
 3374TIP3    H216432   1.238   2.838  -2.690
 3375TIP3   OH216433   0.395   2.737  -2.839
 3375TIP3    H116434   0.401   2.820  -2.787
 3375TIP3    H216435   0.304   2.708  -2.818
 3376TIP3   OH216436   0.425   3.116  -3.848
 3376TIP3    H116437   0.426   3.130  -3.944
 3376TIP3    H216438   0.427   3.207  -3.813
 3377TIP3   OH216439  -0.198   3.026  -3.684
 3377TIP3    H116440  -0.180   2.987  -3.596
 3377TIP3    H216441  -0.290   2.999  -3.697
 3378TIP3   OH216442   0.748   3.078  -4.140
 3378TIP3    H116443   0.793   3.020  -4.204
 3378TIP3    H216444   0.752   3.024  -4.059
 3379TIP3   OH216445   0.696   3.004  -3.863
 3379TIP3    H116446   0.603   3.024  -3.841
 3379TIP3    H216447   0.718   2.939  -3.795
 3380TIP3   OH216448   1.013   1.950  -2.681
 3380TIP3    H116449   0.953   1.990  -2.745
 3380TIP3    H216450   1.013   1.856  -2.707
 3381TIP3   OH216451  -0.292   2.616  -2.867
 3381TIP3    H116452  -0.266   2.569  -2.785
 3381TIP3    H216453  -0.366   2.561  -2.899
 3382TIP3   OH216454   0.024   1.466  -3.291
 3382TIP3    H116455  -0.058   1.456  -3.342
 3382TIP3    H216456  -0.004   1.533  -3.226
 3383TIP3   OH216457   0.488   1.389  -2.900
 3383TIP3    H116458   0.494   1.332  -2.822
 3383TIP3    H216459   0.391   1.395  -2.910
 3384TIP3   OH216460   0.775   1.799  -2.865
 3384TIP3    H116461   0.713   1.783  -2.791
 3384TIP3    H216462   0.766   1.894  -2.882
 3385TIP3   OH216463   0.959   2.268  -4.251
 3385TIP3    H116464   0.910   2.252  -4.333
 3385TIP3    H216465   0.989   2.358  -4.267
 3386TIP3   OH216466   0.444   1.658  -4.215
 3386TIP3    H116467   0.387   1.662  -4.137
 3386TIP3    H216468   0.398   1.592  -4.268
 3387TIP3   OH216469   0.007   1.953  -3.659
 3387TIP3    H116470  -0.088   1.943  -3.678
 3387TIP3    H216471   0.045   1.932  -3.747
 3388TIP3   OH216472   0.571   2.004  -3.786
 3388TIP3    H116473   0.531   2.086  -3.820
 3388TIP3    H216474   0.636   1.984  -3.856
 3389TIP3   OH216475   0.649   1.944  -3.505
 3389TIP3    H116476   0.622   2.002  -3.579
 3389TIP3    H216477   0.672   1.863  -3.556
 3390TIP3   OH216478  -0.268   1.962  -2.973
 3390TIP3    H116479  -0.212   1.985  -2.898
 3390TIP3    H216480  -0.288   1.869  -2.954
 3391TIP3   OH216481   0.120   1.703  -4.311
 3391TIP3    H116482   0.079   1.671  -4.229
 3391TIP3    H216483   0.043   1.745  -4.355
 3392TIP3   OH216484  -0.568   1.709  -3.596
 3392TIP3    H116485  -0.502   1.700  -3.526
 3392TIP3    H216486  -0.526   1.668  -3.674
 3393TIP3   OH216487  -0.404   1.755  -4.027
 3393TIP3    H116488  -0.356   1.792  -4.103
 3393TIP3    H216489  -0.482   1.812  -4.020
 3394TIP3   OH216490   0.547   2.102  -3.050
 3394TIP3    H116491   0.599   2.036  -3.102
 3394TIP3    H216492   0.531   2.054  -2.968
 3395TIP3   OH216493   0.277   1.706  -3.559
 3395TIP3    H116494   0.183   1.699  -3.536
 3395TIP3    H216495   0.320   1.688  -3.474
 3396TIP3   OH216496  -0.261   1.833  -3.691
 3396TIP3    H116497  -0.343   1.856  -3.737
 3396TIP3    H216498  -0.231   1.753  -3.739
 3397TIP3   OH216499   0.099   1.877  -3.918
 3397TIP3    H116500   0.196   1.873  -3.917
 3397TIP3    H216501   0.078   1.927  -3.999
 3398TIP3   OH216502   0.714   1.625  -3.245
 3398TIP3    H116503   0.647   1.627  -3.173
 3398TIP3    H216504   0.659   1.589  -3.317
 3399TIP3   OH216505  -0.046   1.990  -4.161
 3399TIP3    H116506  -0.105   1.934  -4.214
 3399TIP3    H216507   0.031   2.000  -4.219
 3400TIP3   OH216508   1.018   3.204  -2.589
 3400TIP3    H116509   1.043   3.245  -2.673
 3400TIP3    H216510   1.092   3.231  -2.531
 3401TIP3   OH216511  -0.188   2.462  -2.646
 3401TIP3    H116512  -0.121   2.470  -2.576
 3401TIP3    H216513  -0.269   2.461  -2.591
 3402TIP3   OH216514   0.378   1.964  -3.380
 3402TIP3    H116515   0.455   1.920  -3.419
 3402TIP3    H216516   0.363   1.912  -3.298
 3403TIP3   OH216517  -0.083   1.605  -3.757
 3403TIP3    H116518  -0.142   1.528  -3.749
 3403TIP3    H216519  -0.004   1.565  -3.796
 3404TIP3   OH216520   0.254   1.857  -3.125
 3404TIP3    H116521   0.171   1.857  -3.078
 3404TIP3    H216522   0.316   1.850  -3.050
 3405TIP3   OH216523   0.293   2.450  -3.964
 3405TIP3    H116524   0.216   2.399  -3.997
 3405TIP3    H216525   0.274   2.455  -3.867
 3406TIP3   OH216526   1.016   2.363  -3.087
 3406TIP3    H116527   1.066   2.418  -3.152
 3406TIP3    H216528   0.930   2.353  -3.133
 3407TIP3   OH216529   0.710   1.722  -4.181
 3407TIP3    H116530   0.612   1.722  -4.187
 3407TIP3    H216531   0.730   1.801  -4.126
 3408TIP3   OH216532   0.446   2.444  -2.834
 3408TIP3    H116533   0.432   2.411  -2.744
 3408TIP3    H216534   0.428   2.539  -2.826
 3409TIP3   OH216535   0.770   1.910  -3.987
 3409TIP3    H116536   0.857   1.892  -3.946
 3409TIP3    H216537   0.785   1.996  -4.030
 3410TIP3   OH216538  -0.180   2.380  -3.374
 3410TIP3    H116539  -0.128   2.373  -3.455
 3410TIP3    H216540  -0.174   2.290  -3.337
 3411TIP3   OH216541   0.538   2.581  -4.068
 3411TIP3    H116542   0.509   2.670  -4.039
 3411TIP3    H216543   0.460   2.529  -4.043
 3412TIP3   OH216544  -0.467   2.211  -2.852
 3412TIP3    H116545  -0.450   2.167  -2.766
 3412TIP3    H216546  -0.529   2.151  -2.895
 3413TIP3   OH216547   0.231   2.175  -2.664
 3413TIP3    H116548   0.202   2.113  -2.731
 3413TIP3    H216549   0.316   2.135  -2.643
 3414TIP3   OH216550   0.683   2.705  -2.881
 3414TIP3    H116551   0.587   2.717  -2.887
 3414TIP3    H216552   0.701   2.732  -2.790
 3415TIP3   OH216553   1.241   1.920  -3.998
 3415TIP3    H116554   1.181   1.898  -4.071
 3415TIP3    H216555   1.253   2.015  -4.018
 3416TIP3   OH216556   1.282   2.518  -2.724
 3416TIP3    H116557   1.188   2.539  -2.743
 3416TIP3    H216558   1.315   2.499  -2.814
 3417TIP3   OH216559   1.064   2.774  -3.992
 3417TIP3    H116560   1.036   2.698  -3.940
 3417TIP3    H216561   1.097   2.734  -4.073
 3418TIP3   OH216562   0.781   2.306  -3.256
 3418TIP3    H116563   0.688   2.291  -3.281
 3418TIP3    H216564   0.826   2.235  -3.306
 3419TIP3   OH216565   0.044   2.714  -3.654
 3419TIP3    H116566   0.089   2.799  -3.664
 3419TIP3    H216567  -0.047   2.738  -3.675
 3420TIP3   OH216568  -0.356   2.236  -4.209
 3420TIP3    H116569  -0.291   2.267  -4.142
 3420TIP3    H216570  -0.438   2.223  -4.157
 3421TIP3   OH216571   0.228   2.482  -3.692
 3421TIP3    H116572   0.204   2.575  -3.677
 3421TIP3    H216573   0.154   2.437  -3.649
 3422TIP3   OH216574   0.245   2.910  -3.055
 3422TIP3    H116575   0.300   2.985  -3.083
 3422TIP3    H216576   0.307   2.861  -2.999
 3423TIP3   OH216577   0.090   3.004  -3.733
 3423TIP3    H116578  -0.005   3.020  -3.724
 3423TIP3    H216579   0.126   3.091  -3.707
 3424TIP3   OH216580   0.586   2.484  -3.099
 3424TIP3    H116581   0.558   2.458  -3.009
 3424TIP3    H216582   0.662   2.425  -3.114
 3425TIP3   OH216583   0.801   2.609  -4.194
 3425TIP3    H116584   0.850   2.566  -4.121
 3425TIP3    H216585   0.711   2.603  -4.158
 3426TIP3   OH216586   0.879   2.943  -2.859
 3426TIP3    H116587   0.804   2.897  -2.901
 3426TIP3    H216588   0.890   3.021  -2.915
 3427TIP3   OH216589   1.292   3.060  -4.160
 3427TIP3    H116590   1.361   3.128  -4.144
 3427TIP3    H216591   1.211   3.110  -4.134
 3428TIP3   OH216592  -0.335   1.679  -2.892
 3428TIP3    H116593  -0.426   1.705  -2.917
 3428TIP3    H216594  -0.349   1.593  -2.850
 3429TIP3   OH216595   0.900   2.473  -3.968
 3429TIP3    H116596   0.874   2.403  -3.906
 3429TIP3    H216597   0.997   2.471  -3.960
 3430TIP3   OH216598  -0.358   2.853  -3.051
 3430TIP3    H116599  -0.328   2.763  -3.031
 3430TIP3    H216600  -0.338   2.898  -2.967
 3431TIP3   OH216601   0.249   2.716  -4.325
 3431TIP3    H116602   0.289   2.633  -4.356
 3431TIP3    H216603   0.194   2.684  -4.251
 3432TIP3   OH216604   0.089   2.668  -4.068
 3432TIP3    H116605   0.151   2.617  -4.014
 3432TIP3    H216606   0.116   2.761  -4.050
 3433TIP3   OH216607  -0.210   2.412  -4.038
 3433TIP3    H116608  -0.275   2.461  -3.984
 3433TIP3    H216609  -0.152   2.486  -4.066
 3434TIP3   OH216610   0.544   1.670  -3.036
 3434TIP3    H116611   0.589   1.717  -2.965
 3434TIP3    H216612   0.497   1.601  -2.987
 3435TIP3   OH216613   0.621   1.618  -3.920
 3435TIP3    H116614   0.651   1.667  -3.999
 3435TIP3    H216615   0.673   1.659  -3.850
 3436TIP3   OH216616   0.401   2.830  -4.030
 3436TIP3    H116617   0.326   2.883  -4.000
 3436TIP3    H216618   0.456   2.897  -4.072
 3437TIP3   OH216619   0.364   1.809  -3.815
 3437TIP3    H116620   0.444   1.865  -3.801
 3437TIP3    H216621   0.336   1.791  -3.724
 3438TIP3   OH216622   0.430   1.510  -3.724
 3438TIP3    H116623   0.408   1.579  -3.658
 3438TIP3    H216624   0.500   1.554  -3.776
 3439TIP3   OH216625   0.116   2.951  -4.027
 3439TIP3    H116626   0.128   3.036  -4.074
 3439TIP3    H216627   0.109   2.979  -3.934
 3440TIP3   OH216628   0.000   1.619  -4.080
 3440TIP3    H116629  -0.006   1.687  -4.011
 3440TIP3    H216630   0.074   1.564  -4.046
 3441TIP3   OH216631   1.026   1.692  -2.816
 3441TIP3    H116632   0.932   1.712  -2.828
 3441TIP3    H216633   1.052   1.681  -2.908
 3442TIP3   OH216634   0.882   2.082  -3.408
 3442TIP3    H116635   0.800   2.036  -3.436
 3442TIP3    H216636   0.930   2.010  -3.361
 3443TIP3   OH216637  -0.195   2.681  -4.160
 3443TIP3    H116638  -0.125   2.728  -4.112
 3443TIP3    H216639  -0.143   2.647  -4.235
 3444TIP3   OH216640  -0.330   1.928  -4.265
 3444TIP3    H116641  -0.329   2.021  -4.239
 3444TIP3    H216642  -0.422   1.914  -4.294
 3445TIP3   OH216643   0.984   2.967  -3.269
 3445TIP3    H116644   0.966   3.048  -3.321
 3445TIP3    H216645   1.077   2.982  -3.245
 3446TIP3   OH216646  -0.257   1.420  -3.371
 3446TIP3    H116647  -0.274   1.417  -3.467
 3446TIP3    H216648  -0.290   1.334  -3.340
 3447TIP3   OH216649  -0.375   2.761  -3.751
 3447TIP3    H116650  -0.444   2.820  -3.717
 3447TIP3    H216651  -0.324   2.820  -3.808
 3448TIP3   OH216652  -0.424   3.058  -2.630
 3448TIP3    H116653  -0.368   3.031  -2.554
 3448TIP3    H216654  -0.465   2.973  -2.656
 3449TIP3   OH216655   0.041   2.958  -2.442
 3449TIP3    H116656   0.115   2.896  -2.432
 3449TIP3    H216657   0.018   2.942  -2.535
 3450TIP3   OH216658   0.465   2.901  -4.334
 3450TIP3    H116659   0.386   2.844  -4.324
 3450TIP3    H216660   0.532   2.833  -4.352
 3451TIP3   OH216661   0.689   2.793  -2.590
 3451TIP3    H116662   0.653   2.709  -2.554
 3451TIP3    H216663   0.761   2.812  -2.527
 3452TIP3   OH216664   0.851   2.869  -4.291
 3452TIP3    H116665   0.880   2.790  -4.241
 3452TIP3    H216666   0.935   2.913  -4.316
 3453TIP3   OH216667  -0.431   2.421  -2.515
 3453TIP3    H116668  -0.420   2.331  -2.550
 3453TIP3    H216669  -0.507   2.453  -2.568
 3454TIP3   OH216670  -0.006   2.481  -4.303
 3454TIP3    H116671   0.011   2.407  -4.243
 3454TIP3    H216672   0.057   2.465  -4.375
 3455TIP3   OH216673   0.236   2.453  -2.578
 3455TIP3    H116674   0.205   2.481  -2.666
 3455TIP3    H216675   0.251   2.358  -2.590
 3456TIP3   OH216676   0.526   2.582  -4.347
 3456TIP3    H116677   0.543   2.593  -4.252
 3456TIP3    H216678   0.591   2.514  -4.372
 3457TIP3   OH216679   0.769   2.402  -2.845
 3457TIP3    H116680   0.850   2.453  -2.861
 3457TIP3    H216681   0.702   2.472  -2.844
 3458TIP3   OH216682  -0.339   2.133  -2.602
 3458TIP3    H116683  -0.273   2.063  -2.602
 3458TIP3    H216684  -0.343   2.155  -2.507
 3459TIP3   OH216685   0.097   2.272  -4.089
 3459TIP3    H116686   0.041   2.220  -4.030
 3459TIP3    H216687   0.135   2.202  -4.146
 3460TIP3   OH216688   0.014   2.068  -2.909
 3460TIP3    H116689  -0.019   2.092  -2.821
 3460TIP3    H216690   0.111   2.069  -2.895
 3461TIP3   OH216691   0.218   2.088  -4.277
 3461TIP3    H116692   0.222   2.055  -4.368
 3461TIP3    H216693   0.313   2.082  -4.252
 3462TIP3   OH216694   0.534   2.295  -2.521
 3462TIP3    H116695   0.629   2.285  -2.539
 3462TIP3    H216696   0.523   2.228  -2.451
 3463TIP3   OH216697   0.096   1.612  -2.982
 3463TIP3    H116698   0.153   1.680  -3.019
 3463TIP3    H216699   0.009   1.624  -3.023
 3464TIP3   OH216700   0.262   2.158  -2.991
 3464TIP3    H116701   0.358   2.149  -3.003
 3464TIP3    H216702   0.253   2.254  -2.980
 3465TIP3   OH216703   0.717   1.969  -2.483
 3465TIP3    H116704   0.732   1.874  -2.474
 3465TIP3    H216705   0.805   2.006  -2.475
 3466TIP3   OH216706   0.830   2.249  -2.622
 3466TIP3    H116707   0.795   2.307  -2.691
 3466TIP3    H216708   0.917   2.227  -2.660
 3467TIP3   OH216709  -0.076   1.949  -2.599
 3467TIP3    H116710  -0.130   1.870  -2.584
 3467TIP3    H216711   0.009   1.911  -2.626
 3468TIP3   OH216712   0.203   1.371  -2.964
 3468TIP3    H116713   0.169   1.464  -2.963
 3468TIP3    H216714   0.131   1.328  -3.013
 3469TIP3   OH216715   0.585   1.709  -2.668
 3469TIP3    H116716   0.495   1.746  -2.676
 3469TIP3    H216717   0.573   1.645  -2.597
 3470TIP3   OH216718   0.758   1.470  -2.506
 3470TIP3    H116719   0.713   1.434  -2.429
 3470TIP3    H216720   0.752   1.565  -2.486
 3471TIP3   OH216721  -0.228   1.706  -2.580
 3471TIP3    H116722  -0.241   1.634  -2.645
 3471TIP3    H216723  -0.252   1.661  -2.497
 3472TIP3   OH216724   0.168   1.303  -2.681
 3472TIP3    H116725   0.235   1.233  -2.675
 3472TIP3    H216726   0.172   1.324  -2.776
 3473TIP3   OH216727   0.266   1.488  -2.495
 3473TIP3    H116728   0.229   1.434  -2.568
 3473TIP3    H216729   0.216   1.570  -2.502
 3474TIP3   OH216730   0.178   3.193  -4.175
 3474TIP3    H116731   0.272   3.213  -4.159
 3474TIP3    H216732   0.153   3.259  -4.241
 3475TIP3   OH216733  -0.530   3.151  -3.724
 3475TIP3    H116734  -0.606   3.120  -3.776
 3475TIP3    H216735  -0.530   3.087  -3.649
 3476TIP3   OH216736  -0.495   2.954  -3.522
 3476TIP3    H116737  -0.529   2.870  -3.486
 3476TIP3    H216738  -0.465   2.994  -3.439
 3477TIP3   OH216739   1.256   3.082  -3.219
 3477TIP3    H116740   1.272   3.083  -3.123
 3477TIP3    H216741   1.340   3.115  -3.253
 3478TIP3   OH216742   1.245   3.029  -2.931
 3478TIP3    H116743   1.194   2.955  -2.968
 3478TIP3    H216744   1.301   2.982  -2.867
 3479TIP3   OH216745   1.043   2.575  -2.506
 3479TIP3    H116746   0.958   2.579  -2.459
 3479TIP3    H216747   1.091   2.652  -2.470
 3480TIP3   OH216748   1.185   2.456  -3.930
 3480TIP3    H116749   1.275   2.491  -3.916
 3480TIP3    H216750   1.181   2.392  -3.856
 3481TIP3   OH216751   1.231   2.256  -3.732
 3481TIP3    H116752   1.164   2.200  -3.688
 3481TIP3    H216753   1.299   2.269  -3.663
 3482TIP3   OH216754   1.204   2.508  -3.234
 3482TIP3    H116755   1.266   2.459  -3.290
 3482TIP3    H216756   1.217   2.599  -3.264
 3483TIP3   OH216757   1.076   2.800  -3.010
 3483TIP3    H116758   1.002   2.840  -2.960
 3483TIP3    H216759   1.030   2.764  -3.088
 3484TIP3   OH216760   1.260   2.224  -4.109
 3484TIP3    H116761   1.196   2.251  -4.176
 3484TIP3    H216762   1.241   2.290  -4.040
 3485TIP3   OH216763   1.080   1.961  -4.216
 3485TIP3    H116764   1.108   2.035  -4.271
 3485TIP3    H216765   1.120   1.886  -4.260
 3486TIP3   OH216766   1.024   2.071  -3.650
 3486TIP3    H116767   1.016   1.976  -3.667
 3486TIP3    H216768   0.986   2.080  -3.560
 3487TIP3   OH216769  -0.483   2.285  -3.280
 3487TIP3    H116770  -0.465   2.294  -3.375
 3487TIP3    H216771  -0.394   2.283  -3.245
 3488TIP3   OH216772   1.087   2.263  -2.745
 3488TIP3    H116773   1.158   2.202  -2.718
 3488TIP3    H216774   1.133   2.347  -2.752
 3489TIP3   OH216775   1.242   2.078  -2.618
 3489TIP3    H116776   1.163   2.024  -2.636
 3489TIP3    H216777   1.312   2.010  -2.617
 3490TIP3   OH216778   1.002   1.650  -4.333
 3490TIP3    H116779   1.054   1.620  -4.258
 3490TIP3    H216780   0.913   1.615  -4.316
 3491TIP3   OH216781   1.004   1.825  -3.836
 3491TIP3    H116782   1.031   1.730  -3.829
 3491TIP3    H216783   1.086   1.863  -3.873
 3492TIP3   OH216784   1.035   1.882  -3.289
 3492TIP3    H116785   1.132   1.892  -3.291
 3492TIP3    H216786   1.021   1.886  -3.192
 3493TIP3   OH216787   1.048   1.951  -3.009
 3493TIP3    H116788   0.965   1.990  -2.977
 3493TIP3    H216789   1.102   2.030  -3.026
 3494TIP3   OH216790  -0.501   1.828  -2.641
 3494TIP3    H116791  -0.407   1.804  -2.637
 3494TIP3    H216792  -0.543   1.740  -2.632
 3495TIP3   OH216793   1.293   1.358  -2.483
 3495TIP3    H116794   1.338   1.293  -2.540
 3495TIP3    H216795   1.291   1.438  -2.539
 3496TIP3   OH216796   1.055   1.552  -3.826
 3496TIP3    H116797   1.072   1.512  -3.739
 3496TIP3    H216798   0.980   1.498  -3.859
 3497TIP3   OH216799  -0.406   1.674  -3.356
 3497TIP3    H116800  -0.369   1.585  -3.350
 3497TIP3    H216801  -0.340   1.726  -3.308
 3498TIP3   OH216802  -0.570   1.929  -3.255
 3498TIP3    H116803  -0.512   1.922  -3.332
 3498TIP3    H216804  -0.535   2.009  -3.212
 3499TIP3   OH216805   1.251   1.580  -2.652
 3499TIP3    H116806   1.161   1.614  -2.639
 3499TIP3    H216807   1.236   1.518  -2.726
 3500TIP3   OH216808   1.267   1.603  -4.162
 3500TIP3    H116809   1.263   1.523  -4.218
 3500TIP3    H216810   1.357   1.634  -4.178
 3501TIP3   OH216811  -0.523   1.574  -3.841
 3501TIP3    H116812  -0.614   1.564  -3.874
 3501TIP3    H216813  -0.479   1.619  -3.916
 3502TIP3   OH216814   0.943   3.082  -3.640
 3502TIP3    H116815   0.993   3.062  -3.721
 3502TIP3    H216816   1.008   3.129  -3.587
 3503TIP3   OH216817  -0.513   1.454  -3.033
 3503TIP3    H116818  -0.584   1.422  -2.975
 3503TIP3    H216819  -0.564   1.502  -3.101
 3504TIP3   OH216820  -0.316   2.757  -2.566
 3504TIP3    H116821  -0.388   2.759  -2.631
 3504TIP3    H216822  -0.363   2.759  -2.482
 3505TIP3   OH216823  -0.032   2.857  -3.000
 3505TIP3    H116824  -0.063   2.942  -3.035
 3505TIP3    H216825   0.064   2.867  -3.018
 3506TIP3   OH216826   0.419   2.989  -2.697
 3506TIP3    H116827   0.435   2.971  -2.604
 3506TIP3    H216828   0.502   3.034  -2.724
 3507TIP3   OH216829   0.648   3.134  -2.772
 3507TIP3    H116830   0.718   3.071  -2.796
 3507TIP3    H216831   0.679   3.165  -2.686
 3508TIP3   OH216832   1.093   1.366  -2.811
 3508TIP3    H116833   1.048   1.416  -2.881
 3508TIP3    H216834   1.139   1.297  -2.862
 3509TIP3   OH216835  -0.295   3.153  -2.966
 3509TIP3    H116836  -0.353   3.217  -3.011
 3509TIP3    H216837  -0.329   3.159  -2.876
 3510TIP3   OH216838  -0.045   3.130  -3.112
 3510TIP3    H116839  -0.130   3.151  -3.068
 3510TIP3    H216840  -0.040   3.201  -3.179
 3511TIP3   OH216841   0.429   3.131  -3.155
 3511TIP3    H116842   0.394   3.176  -3.234
 3511TIP3    H216843   0.439   3.206  -3.094
 3512TIP3   OH216844   0.663   3.003  -3.062
 3512TIP3    H116845   0.578   3.039  -3.096
 3512TIP3    H216846   0.720   3.081  -3.066
 3513TIP3   OH216847   0.917   3.176  -3.045
 3513TIP3    H116848   0.912   3.271  -3.066
 3513TIP3    H216849   0.945   3.140  -3.131
 3514TIP3   OH216850  -0.336   3.033  -3.273
 3514TIP3    H116851  -0.339   2.986  -3.187
 3514TIP3    H216852  -0.259   2.991  -3.314
 3515TIP3   OH216853  -0.134   2.908  -3.429
 3515TIP3    H116854  -0.148   2.816  -3.399
 3515TIP3    H216855  -0.043   2.925  -3.397
 3516TIP3   OH216856   0.140   2.954  -3.339
 3516TIP3    H116857   0.161   2.862  -3.360
 3516TIP3    H216858   0.148   2.954  -3.243
 3517TIP3   OH216859   0.472   1.546  -3.408
 3517TIP3    H116860   0.405   1.476  -3.396
 3517TIP3    H216861   0.535   1.502  -3.468
 3518TIP3   OH216862   0.969   1.349  -3.362
 3518TIP3    H116863   1.046   1.390  -3.405
 3518TIP3    H216864   0.895   1.375  -3.419
 3519TIP3   OH216865   1.176   1.457  -3.576
 3519TIP3    H116866   1.247   1.413  -3.626
 3519TIP3    H216867   1.210   1.549  -3.569
 3520TIP3   OH216868  -0.290   1.416  -3.651
 3520TIP3    H116869  -0.376   1.405  -3.697
 3520TIP3    H216870  -0.248   1.330  -3.670
 3521TIP3   OH216871  -0.403   1.367  -4.079
 3521TIP3    H116872  -0.349   1.433  -4.129
 3521TIP3    H216873  -0.451   1.426  -4.019
 3522TIP3   OH216874   0.157   1.399  -3.665
 3522TIP3    H116875   0.249   1.428  -3.679
 3522TIP3    H216876   0.155   1.388  -3.570
 3523TIP3   OH216877   0.718   1.403  -3.522
 3523TIP3    H116878   0.742   1.389  -3.615
 3523TIP3    H216879   0.678   1.317  -3.499
 3524TIP3   OH216880   0.823   1.410  -3.915
 3524TIP3    H116881   0.743   1.456  -3.946
 3524TIP3    H216882   0.793   1.317  -3.922
 3525TIP3   OH216883  -0.404   2.960  -3.970
 3525TIP3    H116884  -0.479   2.963  -4.032
 3525TIP3    H216885  -0.402   3.052  -3.939
 3526TIP3   OH216886  -0.242   1.542  -4.218
 3526TIP3    H116887  -0.194   1.492  -4.286
 3526TIP3    H216888  -0.169   1.587  -4.172
 3527TIP3   OH216889   0.269   1.562  -3.959
 3527TIP3    H116890   0.308   1.508  -3.889
 3527TIP3    H216891   0.294   1.651  -3.927
 3528TIP3   OH216892   0.474   3.123  -4.144
 3528TIP3    H116893   0.571   3.138  -4.149
 3528TIP3    H216894   0.463   3.064  -4.221
 3529TIP3   OH216895   1.138   3.044  -3.885
 3529TIP3    H116896   1.106   2.961  -3.927
 3529TIP3    H216897   1.113   3.111  -3.952
 3530TIP3   OH216898  -0.312   1.440  -2.699
 3530TIP3    H116899  -0.350   1.357  -2.665
 3530TIP3    H216900  -0.218   1.426  -2.675
 3531TIP3   OH216901  -0.073   1.376  -2.529
 3531TIP3    H116902   0.010   1.340  -2.568
 3531TIP3    H216903  -0.107   1.296  -2.485
 3532TIP3   OH216904  -0.211   3.062  -4.233
 3532TIP3    H116905  -0.244   3.097  -4.149
 3532TIP3    H216906  -0.133   3.012  -4.207
 3533TIP3   OH216907   1.077   2.924  -2.641
 3533TIP3    H116908   1.004   2.902  -2.701
 3533TIP3    H216909   1.058   3.017  -2.621
 3534TIP3   OH216910   2.499   2.290  -3.628
 3534TIP3    H116911   2.498   2.386  -3.616
 3534TIP3    H216912   2.421   2.276  -3.683
 3535TIP3   OH216913   2.381   2.235  -3.320
 3535TIP3    H116914   2.381   2.180  -3.241
 3535TIP3    H216915   2.355   2.170  -3.388
 3536TIP3   OH216916   1.630   2.193  -3.154
 3536TIP3    H116917   1.628   2.118  -3.091
 3536TIP3    H216918   1.699   2.248  -3.113
 3537TIP3   OH216919   2.749   2.508  -3.488
 3537TIP3    H116920   2.712   2.437  -3.433
 3537TIP3    H216921   2.779   2.570  -3.421
 3538TIP3   OH216922   1.695   2.658  -3.304
 3538TIP3    H116923   1.671   2.566  -3.328
 3538TIP3    H216924   1.788   2.644  -3.279
 3539TIP3   OH216925   1.395   1.998  -3.762
 3539TIP3    H116926   1.352   2.085  -3.753
 3539TIP3    H216927   1.327   1.947  -3.807
 3540TIP3   OH216928   1.475   2.243  -3.578
 3540TIP3    H116929   1.488   2.159  -3.529
 3540TIP3    H216930   1.560   2.253  -3.623
 3541TIP3   OH216931   2.455   3.044  -3.432
 3541TIP3    H116932   2.513   2.973  -3.464
 3541TIP3    H216933   2.428   3.011  -3.345
 3542TIP3   OH216934   2.231   2.485  -3.264
 3542TIP3    H116935   2.264   2.412  -3.320
 3542TIP3    H216936   2.311   2.501  -3.212
 3543TIP3   OH216937   3.098   1.637  -3.200
 3543TIP3    H116938   3.122   1.699  -3.128
 3543TIP3    H216939   3.158   1.666  -3.270
 3544TIP3   OH216940   2.561   1.918  -3.213
 3544TIP3    H116941   2.574   1.822  -3.207
 3544TIP3    H216942   2.552   1.931  -3.308
 3545TIP3   OH216943   1.857   1.719  -3.504
 3545TIP3    H116944   1.871   1.805  -3.550
 3545TIP3    H216945   1.822   1.667  -3.579
 3546TIP3   OH216946   2.641   1.736  -3.673
 3546TIP3    H116947   2.699   1.692  -3.608
 3546TIP3    H216948   2.706   1.779  -3.730
 3547TIP3   OH216949   1.527   1.994  -3.454
 3547TIP3    H116950   1.589   1.946  -3.397
 3547TIP3    H216951   1.534   1.944  -3.537
 3548TIP3   OH216952   2.065   2.132  -3.509
 3548TIP3    H116953   2.135   2.077  -3.470
 3548TIP3    H216954   2.014   2.065  -3.558
 3549TIP3   OH216955   3.171   1.775  -2.951
 3549TIP3    H116956   3.111   1.846  -2.980
 3549TIP3    H216957   3.148   1.770  -2.857
 3550TIP3   OH216958   1.737   1.598  -3.089
 3550TIP3    H116959   1.697   1.649  -3.161
 3550TIP3    H216960   1.672   1.613  -3.017
 3551TIP3   OH216961   2.486   2.574  -3.749
 3551TIP3    H116962   2.455   2.554  -3.838
 3551TIP3    H216963   2.443   2.659  -3.731
 3552TIP3   OH216964   2.031   2.387  -3.076
 3552TIP3    H116965   1.957   2.446  -3.050
 3552TIP3    H216966   2.093   2.449  -3.119
 3553TIP3   OH216967   2.826   1.661  -3.470
 3553TIP3    H116968   2.786   1.601  -3.406
 3553TIP3    H216969   2.877   1.721  -3.413
 3554TIP3   OH216970   1.697   1.803  -3.294
 3554TIP3    H116971   1.762   1.861  -3.248
 3554TIP3    H216972   1.755   1.766  -3.365
 3555TIP3   OH216973   1.829   2.574  -3.005
 3555TIP3    H116974   1.826   2.667  -3.033
 3555TIP3    H216975   1.743   2.567  -2.960
 3556TIP3   OH216976   1.463   2.543  -3.918
 3556TIP3    H116977   1.441   2.586  -4.003
 3556TIP3    H216978   1.477   2.618  -3.857
 3557TIP3   OH216979   2.806   2.690  -3.239
 3557TIP3    H116980   2.709   2.703  -3.237
 3557TIP3    H216981   2.835   2.775  -3.275
 3558TIP3   OH216982   2.839   1.579  -3.084
 3558TIP3    H116983   2.761   1.615  -3.131
 3558TIP3    H216984   2.911   1.595  -3.148
 3559TIP3   OH216985   2.152   1.348  -3.380
 3559TIP3    H116986   2.129   1.253  -3.385
 3559TIP3    H216987   2.069   1.386  -3.343
 3560TIP3   OH216988   2.635   2.883  -3.584
 3560TIP3    H116989   2.683   2.804  -3.614
 3560TIP3    H216990   2.704   2.952  -3.590
 3561TIP3   OH216991   2.780   2.671  -3.720
 3561TIP3    H116992   2.731   2.623  -3.788
 3561TIP3    H216993   2.776   2.607  -3.646
 3562TIP3   OH216994   2.936   2.552  -2.870
 3562TIP3    H116995   2.925   2.488  -2.943
 3562TIP3    H216996   2.947   2.636  -2.919
 3563TIP3   OH216997   2.361   2.237  -3.907
 3563TIP3    H116998   2.300   2.307  -3.937
 3563TIP3    H216999   2.434   2.244  -3.971
 3564TIP3   OH217000   3.111   2.169  -3.076
 3564TIP3    H117001   3.039   2.235  -3.069
 3564TIP3    H217002   3.159   2.204  -3.154
 3565TIP3   OH217003   2.708   2.236  -3.801
 3565TIP3    H117004   2.642   2.258  -3.732
 3565TIP3    H217005   2.771   2.184  -3.749
 3566TIP3   OH217006   2.696   2.096  -2.909
 3566TIP3    H117007   2.702   2.180  -2.859
 3566TIP3    H217008   2.632   2.124  -2.976
 3567TIP3   OH217009   1.872   2.318  -3.617
 3567TIP3    H117010   1.845   2.273  -3.700
 3567TIP3    H217011   1.937   2.255  -3.581
 3568TIP3   OH217012   2.010   2.661  -3.343
 3568TIP3    H117013   1.998   2.619  -3.429
 3568TIP3    H217014   2.088   2.614  -3.308
 3569TIP3   OH217015   1.931   2.201  -3.268
 3569TIP3    H117016   1.990   2.204  -3.345
 3569TIP3    H217017   1.970   2.267  -3.208
 3570TIP3   OH217018   2.525   2.752  -3.209
 3570TIP3    H117019   2.528   2.819  -3.139
 3570TIP3    H217020   2.503   2.670  -3.161
 3571TIP3   OH217021   2.015   2.632  -2.783
 3571TIP3    H117022   1.964   2.699  -2.734
 3571TIP3    H217023   1.950   2.606  -2.852
 3572TIP3   OH217024   2.601   2.197  -4.067
 3572TIP3    H117025   2.647   2.210  -3.981
 3572TIP3    H217026   2.668   2.228  -4.130
 3573TIP3   OH217027   1.708   2.273  -2.872
 3573TIP3    H117028   1.713   2.330  -2.793
 3573TIP3    H217029   1.612   2.258  -2.879
 3574TIP3   OH217030   2.352   2.847  -3.696
 3574TIP3    H117031   2.404   2.872  -3.619
 3574TIP3    H217032   2.306   2.929  -3.719
 3575TIP3   OH217033   1.825   2.851  -2.701
 3575TIP3    H117034   1.813   2.854  -2.798
 3575TIP3    H217035   1.737   2.823  -2.669
 3576TIP3   OH217036   2.965   1.353  -4.073
 3576TIP3    H117037   2.868   1.359  -4.061
 3576TIP3    H217038   2.986   1.443  -4.101
 3577TIP3   OH217039   1.778   2.192  -3.875
 3577TIP3    H117040   1.743   2.271  -3.921
 3577TIP3    H217041   1.705   2.130  -3.885
 3578TIP3   OH217042   3.070   2.787  -4.254
 3578TIP3    H117043   3.099   2.867  -4.206
 3578TIP3    H217044   3.144   2.725  -4.240
 3579TIP3   OH217045   1.370   2.461  -2.990
 3579TIP3    H117046   1.326   2.460  -3.077
 3579TIP3    H217047   1.384   2.366  -2.973
 3580TIP3   OH217048   1.376   2.754  -3.297
 3580TIP3    H117049   1.468   2.725  -3.291
 3580TIP3    H217050   1.370   2.814  -3.222
 3581TIP3   OH217051   3.215   2.815  -2.718
 3581TIP3    H117052   3.204   2.721  -2.739
 3581TIP3    H217053   3.123   2.839  -2.691
 3582TIP3   OH217054   2.279   2.737  -2.840
 3582TIP3    H117055   2.287   2.820  -2.787
 3582TIP3    H217056   2.189   2.708  -2.816
 3583TIP3   OH217057   2.309   3.117  -3.848
 3583TIP3    H117058   2.310   3.130  -3.944
 3583TIP3    H217059   2.313   3.208  -3.814
 3584TIP3   OH217060   1.688   3.030  -3.681
 3584TIP3    H117061   1.705   2.987  -3.595
 3584TIP3    H217062   1.601   2.994  -3.703
 3585TIP3   OH217063   2.633   3.078  -4.140
 3585TIP3    H117064   2.679   3.020  -4.204
 3585TIP3    H217065   2.639   3.025  -4.058
 3586TIP3   OH217066   2.582   3.006  -3.863
 3586TIP3    H117067   2.489   3.023  -3.839
 3586TIP3    H217068   2.606   2.940  -3.796
 3587TIP3   OH217069   2.891   1.950  -2.677
 3587TIP3    H117070   2.842   1.991  -2.750
 3587TIP3    H217071   2.898   1.858  -2.708
 3588TIP3   OH217072   1.590   2.616  -2.865
 3588TIP3    H117073   1.617   2.569  -2.784
 3588TIP3    H217074   1.516   2.561  -2.898
 3589TIP3   OH217075   1.910   1.463  -3.289
 3589TIP3    H117076   1.828   1.457  -3.341
 3589TIP3    H217077   1.886   1.536  -3.229
 3590TIP3   OH217078   2.346   1.422  -2.923
 3590TIP3    H117079   2.399   1.367  -2.861
 3590TIP3    H217080   2.256   1.386  -2.912
 3591TIP3   OH217081   2.663   1.801  -2.871
 3591TIP3    H117082   2.600   1.785  -2.798
 3591TIP3    H217083   2.655   1.896  -2.888
 3592TIP3   OH217084   2.834   2.270  -4.251
 3592TIP3    H117085   2.803   2.252  -4.341
 3592TIP3    H217086   2.875   2.356  -4.264
 3593TIP3   OH217087   2.326   1.660  -4.219
 3593TIP3    H117088   2.278   1.653  -4.136
 3593TIP3    H217089   2.284   1.589  -4.270
 3594TIP3   OH217090   1.895   1.941  -3.149
 3594TIP3    H117091   1.839   1.953  -3.070
 3594TIP3    H217092   1.902   2.033  -3.184
 3595TIP3   OH217093   1.887   1.952  -3.661
 3595TIP3    H117094   1.791   1.936  -3.676
 3595TIP3    H217095   1.922   1.928  -3.749
 3596TIP3   OH217096   2.457   2.003  -3.785
 3596TIP3    H117097   2.416   2.085  -3.819
 3596TIP3    H217098   2.522   1.983  -3.855
 3597TIP3   OH217099   2.369   2.027  -2.645
 3597TIP3    H117100   2.318   1.950  -2.611
 3597TIP3    H217101   2.457   2.011  -2.606
 3598TIP3   OH217102   2.536   1.944  -3.505
 3598TIP3    H117103   2.508   2.001  -3.579
 3598TIP3    H217104   2.557   1.863  -3.555
 3599TIP3   OH217105   1.628   1.958  -2.964
 3599TIP3    H117106   1.658   1.989  -2.877
 3599TIP3    H217107   1.595   1.869  -2.943
 3600TIP3   OH217108   2.008   1.735  -4.298
 3600TIP3    H117109   1.975   1.675  -4.228
 3600TIP3    H217110   1.926   1.752  -4.348
 3601TIP3   OH217111   1.315   1.707  -3.600
 3601TIP3    H117112   1.377   1.700  -3.526
 3601TIP3    H217113   1.362   1.666  -3.674
 3602TIP3   OH217114   1.480   1.753  -4.032
 3602TIP3    H117115   1.528   1.799  -4.103
 3602TIP3    H217116   1.404   1.812  -4.018
 3603TIP3   OH217117   2.446   2.113  -3.059
 3603TIP3    H117118   2.490   2.041  -3.109
 3603TIP3    H217119   2.412   2.065  -2.982
 3604TIP3   OH217120   2.167   1.709  -3.557
 3604TIP3    H117121   2.072   1.702  -3.535
 3604TIP3    H217122   2.209   1.688  -3.472
 3605TIP3   OH217123   1.626   1.832  -3.692
 3605TIP3    H117124   1.541   1.856  -3.735
 3605TIP3    H217125   1.652   1.751  -3.740
 3606TIP3   OH217126   1.982   1.867  -3.927
 3606TIP3    H117127   2.078   1.872  -3.912
 3606TIP3    H217128   1.963   1.939  -3.988
 3607TIP3   OH217129   2.605   1.622  -3.255
 3607TIP3    H117130   2.541   1.623  -3.181
 3607TIP3    H217131   2.548   1.588  -3.326
 3608TIP3   OH217132   1.860   1.995  -4.180
 3608TIP3    H117133   1.780   1.945  -4.206
 3608TIP3    H217134   1.927   1.949  -4.231
 3609TIP3   OH217135   2.905   3.201  -2.589
 3609TIP3    H117136   2.928   3.245  -2.672
 3609TIP3    H217137   2.977   3.230  -2.530
 3610TIP3   OH217138   1.696   2.463  -2.646
 3610TIP3    H117139   1.763   2.470  -2.576
 3610TIP3    H217140   1.615   2.459  -2.591
 3611TIP3   OH217141   2.268   1.963  -3.375
 3611TIP3    H117142   2.341   1.920  -3.421
 3611TIP3    H217143   2.252   1.902  -3.300
 3612TIP3   OH217144   1.801   1.604  -3.762
 3612TIP3    H117145   1.743   1.527  -3.748
 3612TIP3    H217146   1.882   1.563  -3.794
 3613TIP3   OH217147   2.165   1.809  -3.151
 3613TIP3    H117148   2.088   1.867  -3.149
 3613TIP3    H217149   2.214   1.834  -3.069
 3614TIP3   OH217150   2.180   2.446  -3.960
 3614TIP3    H117151   2.106   2.391  -3.993
 3614TIP3    H217152   2.161   2.453  -3.864
 3615TIP3   OH217153   2.902   2.363  -3.087
 3615TIP3    H117154   2.952   2.418  -3.151
 3615TIP3    H217155   2.816   2.353  -3.133
 3616TIP3   OH217156   2.601   1.721  -4.178
 3616TIP3    H117157   2.505   1.719  -4.191
 3616TIP3    H217158   2.617   1.802  -4.126
 3617TIP3   OH217159   2.343   2.448  -2.828
 3617TIP3    H117160   2.312   2.417  -2.742
 3617TIP3    H217161   2.313   2.540  -2.828
 3618TIP3   OH217162   2.655   1.910  -3.983
 3618TIP3    H117163   2.744   1.893  -3.945
 3618TIP3    H217164   2.668   1.991  -4.035
 3619TIP3   OH217165   1.693   2.386  -3.378
 3619TIP3    H117166   1.749   2.375  -3.456
 3619TIP3    H217167   1.703   2.300  -3.333
 3620TIP3   OH217168   2.422   2.582  -4.070
 3620TIP3    H117169   2.395   2.671  -4.038
 3620TIP3    H217170   2.346   2.529  -4.041
 3621TIP3   OH217171   1.421   2.213  -2.853
 3621TIP3    H117172   1.434   2.171  -2.766
 3621TIP3    H217173   1.356   2.154  -2.895
 3622TIP3   OH217174   2.116   2.165  -2.654
 3622TIP3    H117175   2.082   2.139  -2.741
 3622TIP3    H217176   2.209   2.137  -2.663
 3623TIP3   OH217177   2.569   2.706  -2.881
 3623TIP3    H117178   2.473   2.716  -2.887
 3623TIP3    H217179   2.586   2.732  -2.789
 3624TIP3   OH217180   3.128   1.919  -3.999
 3624TIP3    H117181   3.065   1.900  -4.071
 3624TIP3    H217182   3.139   2.015  -4.017
 3625TIP3   OH217183   3.168   2.516  -2.724
 3625TIP3    H117184   3.075   2.538  -2.743
 3625TIP3    H217185   3.202   2.499  -2.814
 3626TIP3   OH217186   2.941   2.766  -4.000
 3626TIP3    H117187   2.924   2.691  -3.941
 3626TIP3    H217188   2.988   2.725  -4.073
 3627TIP3   OH217189   2.668   2.307  -3.256
 3627TIP3    H117190   2.574   2.291  -3.280
 3627TIP3    H217191   2.711   2.235  -3.306
 3628TIP3   OH217192   1.931   2.714  -3.657
 3628TIP3    H117193   1.972   2.801  -3.664
 3628TIP3    H217194   1.838   2.735  -3.674
 3629TIP3   OH217195   1.540   2.207  -4.200
 3629TIP3    H117196   1.592   2.274  -4.151
 3629TIP3    H217197   1.449   2.225  -4.170
 3630TIP3   OH217198   2.112   2.484  -3.694
 3630TIP3    H117199   2.084   2.575  -3.676
 3630TIP3    H217200   2.044   2.433  -3.648
 3631TIP3   OH217201   2.130   2.910  -3.055
 3631TIP3    H117202   2.186   2.984  -3.083
 3631TIP3    H217203   2.192   2.861  -2.998
 3632TIP3   OH217204   1.975   3.005  -3.735
 3632TIP3    H117205   1.879   3.019  -3.724
 3632TIP3    H217206   2.010   3.092  -3.708
 3633TIP3   OH217207   2.471   2.484  -3.099
 3633TIP3    H117208   2.443   2.457  -3.009
 3633TIP3    H217209   2.545   2.424  -3.115
 3634TIP3   OH217210   2.684   2.608  -4.195
 3634TIP3    H117211   2.737   2.569  -4.123
 3634TIP3    H217212   2.596   2.601  -4.155
 3635TIP3   OH217213   2.766   2.942  -2.859
 3635TIP3    H117214   2.690   2.897  -2.901
 3635TIP3    H217215   2.776   3.021  -2.914
 3636TIP3   OH217216   3.172   3.061  -4.159
 3636TIP3    H117217   3.244   3.125  -4.142
 3636TIP3    H217218   3.094   3.116  -4.138
 3637TIP3   OH217219   1.550   1.678  -2.891
 3637TIP3    H117220   1.459   1.704  -2.915
 3637TIP3    H217221   1.535   1.592  -2.848
 3638TIP3   OH217222   2.784   2.473  -3.967
 3638TIP3    H117223   2.757   2.398  -3.911
 3638TIP3    H217224   2.881   2.470  -3.959
 3639TIP3   OH217225   1.527   2.854  -3.050
 3639TIP3    H117226   1.556   2.763  -3.033
 3639TIP3    H217227   1.548   2.895  -2.966
 3640TIP3   OH217228   2.135   2.717  -4.329
 3640TIP3    H117229   2.176   2.632  -4.353
 3640TIP3    H217230   2.087   2.692  -4.248
 3641TIP3   OH217231   1.995   2.670  -4.080
 3641TIP3    H117232   2.043   2.620  -4.012
 3641TIP3    H217233   2.011   2.763  -4.051
 3642TIP3   OH217234   1.684   2.412  -4.035
 3642TIP3    H117235   1.605   2.448  -3.989
 3642TIP3    H217236   1.724   2.494  -4.068
 3643TIP3   OH217237   2.448   1.663  -3.036
 3643TIP3    H117238   2.509   1.688  -2.966
 3643TIP3    H217239   2.398   1.589  -2.995
 3644TIP3   OH217240   2.504   1.622  -3.921
 3644TIP3    H117241   2.540   1.666  -4.000
 3644TIP3    H217242   2.559   1.658  -3.851
 3645TIP3   OH217243   2.286   2.830  -4.032
 3645TIP3    H117244   2.211   2.883  -4.000
 3645TIP3    H217245   2.342   2.899  -4.071
 3646TIP3   OH217246   2.245   1.814  -3.815
 3646TIP3    H117247   2.328   1.865  -3.802
 3646TIP3    H217248   2.222   1.791  -3.723
 3647TIP3   OH217249   2.289   1.897  -2.900
 3647TIP3    H117250   2.293   1.949  -2.818
 3647TIP3    H217251   2.342   1.820  -2.876
 3648TIP3   OH217252   2.315   1.511  -3.724
 3648TIP3    H117253   2.296   1.579  -3.657
 3648TIP3    H217254   2.386   1.554  -3.775
 3649TIP3   OH217255   2.005   2.949  -4.026
 3649TIP3    H117256   2.012   3.034  -4.073
 3649TIP3    H217257   1.994   2.977  -3.933
 3650TIP3   OH217258   1.884   1.615  -4.082
 3650TIP3    H117259   1.882   1.684  -4.014
 3650TIP3    H217260   1.958   1.560  -4.049
 3651TIP3   OH217261   2.916   1.699  -2.810
 3651TIP3    H117262   2.820   1.712  -2.826
 3651TIP3    H217263   2.942   1.675  -2.900
 3652TIP3   OH217264   2.767   2.082  -3.408
 3652TIP3    H117265   2.685   2.037  -3.435
 3652TIP3    H217266   2.816   2.010  -3.362
 3653TIP3   OH217267   1.717   2.705  -4.154
 3653TIP3    H117268   1.800   2.736  -4.114
 3653TIP3    H217269   1.750   2.662  -4.235
 3654TIP3   OH217270   1.550   1.928  -4.251
 3654TIP3    H117271   1.555   2.024  -4.235
 3654TIP3    H217272   1.462   1.920  -4.290
 3655TIP3   OH217273   2.873   2.970  -3.267
 3655TIP3    H117274   2.856   3.050  -3.319
 3655TIP3    H217275   2.967   2.981  -3.248
 3656TIP3   OH217276   1.629   1.419  -3.371
 3656TIP3    H117277   1.613   1.416  -3.467
 3656TIP3    H217278   1.597   1.332  -3.341
 3657TIP3   OH217279   1.517   2.769  -3.748
 3657TIP3    H117280   1.440   2.822  -3.723
 3657TIP3    H217281   1.557   2.822  -3.818
 3658TIP3   OH217282   1.460   3.059  -2.628
 3658TIP3    H117283   1.518   3.030  -2.555
 3658TIP3    H217284   1.421   2.973  -2.657
 3659TIP3   OH217285   1.928   2.966  -2.450
 3659TIP3    H117286   1.998   2.902  -2.428
 3659TIP3    H217287   1.906   2.938  -2.541
 3660TIP3   OH217288   2.351   2.902  -4.335
 3660TIP3    H117289   2.271   2.846  -4.326
 3660TIP3    H217290   2.418   2.834  -4.352
 3661TIP3   OH217291   2.577   2.792  -2.593
 3661TIP3    H117292   2.538   2.711  -2.555
 3661TIP3    H217293   2.646   2.814  -2.527
 3662TIP3   OH217294   2.741   2.870  -4.289
 3662TIP3    H117295   2.766   2.792  -4.239
 3662TIP3    H217296   2.827   2.910  -4.314
 3663TIP3   OH217297   1.454   2.422  -2.517
 3663TIP3    H117298   1.462   2.330  -2.547
 3663TIP3    H217299   1.377   2.452  -2.568
 3664TIP3   OH217300   1.885   2.434  -4.320
 3664TIP3    H117301   1.918   2.418  -4.231
 3664TIP3    H217302   1.961   2.470  -4.368
 3665TIP3   OH217303   2.120   2.441  -2.583
 3665TIP3    H117304   2.088   2.474  -2.668
 3665TIP3    H217305   2.125   2.344  -2.598
 3666TIP3   OH217306   2.410   2.580  -4.347
 3666TIP3    H117307   2.428   2.597  -4.253
 3666TIP3    H217308   2.481   2.519  -4.372
 3667TIP3   OH217309   2.656   2.402  -2.843
 3667TIP3    H117310   2.734   2.456  -2.863
 3667TIP3    H217311   2.586   2.470  -2.845
 3668TIP3   OH217312   1.542   2.137  -2.599
 3668TIP3    H117313   1.613   2.071  -2.598
 3668TIP3    H217314   1.536   2.158  -2.504
 3669TIP3   OH217315   1.995   2.256  -4.090
 3669TIP3    H117316   1.928   2.236  -4.024
 3669TIP3    H217317   1.976   2.185  -4.154
 3670TIP3   OH217318   1.906   2.047  -2.858
 3670TIP3    H117319   1.854   2.126  -2.835
 3670TIP3    H217320   1.972   2.085  -2.918
 3671TIP3   OH217321   2.438   2.320  -2.499
 3671TIP3    H117322   2.528   2.301  -2.532
 3671TIP3    H217323   2.411   2.234  -2.463
 3672TIP3   OH217324   1.968   1.780  -2.742
 3672TIP3    H117325   1.973   1.712  -2.813
 3672TIP3    H217326   1.945   1.859  -2.793
 3673TIP3   OH217327   2.000   1.625  -2.997
 3673TIP3    H117328   2.052   1.676  -3.061
 3673TIP3    H217329   1.909   1.628  -3.033
 3674TIP3   OH217330   2.155   2.169  -2.956
 3674TIP3    H117331   2.238   2.161  -3.005
 3674TIP3    H217332   2.124   2.257  -2.987
 3675TIP3   OH217333   2.614   1.961  -2.470
 3675TIP3    H117334   2.639   1.868  -2.478
 3675TIP3    H217335   2.699   2.005  -2.486
 3676TIP3   OH217336   2.709   2.241  -2.628
 3676TIP3    H117337   2.675   2.303  -2.697
 3676TIP3    H217338   2.799   2.227  -2.664
 3677TIP3   OH217339   1.789   1.962  -2.562
 3677TIP3    H117340   1.734   1.882  -2.561
 3677TIP3    H217341   1.869   1.931  -2.607
 3678TIP3   OH217342   2.072   1.358  -2.960
 3678TIP3    H117343   2.054   1.453  -2.977
 3678TIP3    H217344   2.003   1.315  -3.015
 3679TIP3   OH217345   2.198   1.814  -2.582
 3679TIP3    H117346   2.160   1.793  -2.494
 3679TIP3    H217347   2.120   1.796  -2.638
 3680TIP3   OH217348   2.454   1.721  -2.694
 3680TIP3    H117349   2.364   1.724  -2.656
 3680TIP3    H217350   2.498   1.655  -2.637
 3681TIP3   OH217351   2.637   1.572  -2.515
 3681TIP3    H117352   2.623   1.475  -2.507
 3681TIP3    H217353   2.615   1.604  -2.427
 3682TIP3   OH217354   1.656   1.708  -2.578
 3682TIP3    H117355   1.645   1.637  -2.644
 3682TIP3    H217356   1.631   1.661  -2.496
 3683TIP3   OH217357   2.056   1.306  -2.679
 3683TIP3    H117358   2.117   1.230  -2.675
 3683TIP3    H217359   2.052   1.321  -2.775
 3684TIP3   OH217360   2.151   1.494  -2.494
 3684TIP3    H117361   2.121   1.434  -2.565
 3684TIP3    H217362   2.081   1.561  -2.491
 3685TIP3   OH217363   2.064   3.194  -4.174
 3685TIP3    H117364   2.158   3.213  -4.160
 3685TIP3    H217365   2.039   3.259  -4.242
 3686TIP3   OH217366   1.449   2.599  -4.194
 3686TIP3    H117367   1.537   2.641  -4.198
 3686TIP3    H217368   1.443   2.552  -4.279
 3687TIP3   OH217369   1.354   3.153  -3.723
 3687TIP3    H117370   1.279   3.120  -3.776
 3687TIP3    H217371   1.356   3.088  -3.650
 3688TIP3   OH217372   1.388   2.957  -3.520
 3688TIP3    H117373   1.358   2.871  -3.488
 3688TIP3    H217374   1.421   2.994  -3.437
 3689TIP3   OH217375   3.154   3.081  -3.224
 3689TIP3    H117376   3.171   3.080  -3.129
 3689TIP3    H217377   3.236   3.121  -3.258
 3690TIP3   OH217378   3.130   3.030  -2.930
 3690TIP3    H117379   3.081   2.956  -2.969
 3690TIP3    H217380   3.187   2.982  -2.868
 3691TIP3   OH217381   2.931   2.571  -2.501
 3691TIP3    H117382   2.842   2.582  -2.462
 3691TIP3    H217383   2.976   2.652  -2.472
 3692TIP3   OH217384   3.071   2.456  -3.931
 3692TIP3    H117385   3.161   2.493  -3.917
 3692TIP3    H217386   3.068   2.393  -3.856
 3693TIP3   OH217387   3.116   2.256  -3.732
 3693TIP3    H117388   3.049   2.201  -3.687
 3693TIP3    H217389   3.185   2.270  -3.664
 3694TIP3   OH217390   3.089   2.508  -3.234
 3694TIP3    H117391   3.151   2.460  -3.290
 3694TIP3    H217392   3.103   2.599  -3.263
 3695TIP3   OH217393   2.961   2.798  -3.008
 3695TIP3    H117394   2.888   2.840  -2.959
 3695TIP3    H217395   2.916   2.764  -3.088
 3696TIP3   OH217396   3.145   2.223  -4.107
 3696TIP3    H117397   3.084   2.253  -4.175
 3696TIP3    H217398   3.127   2.289  -4.038
 3697TIP3   OH217399   2.967   1.963  -4.213
 3697TIP3    H117400   2.997   2.034  -4.272
 3697TIP3    H217401   2.999   1.885  -4.259
 3698TIP3   OH217402   2.907   2.073  -3.651
 3698TIP3    H117403   2.900   1.977  -3.668
 3698TIP3    H217404   2.869   2.082  -3.561
 3699TIP3   OH217405   1.395   2.292  -3.280
 3699TIP3    H117406   1.420   2.298  -3.374
 3699TIP3    H217407   1.481   2.271  -3.239
 3700TIP3   OH217408   2.970   2.264  -2.735
 3700TIP3    H117409   3.045   2.203  -2.719
 3700TIP3    H217410   3.015   2.347  -2.756
 3701TIP3   OH217411   3.126   2.074  -2.611
 3701TIP3    H117412   3.047   2.021  -2.636
 3701TIP3    H217413   3.197   2.007  -2.617
 3702TIP3   OH217414   2.889   1.651  -4.333
 3702TIP3    H117415   2.945   1.617  -4.262
 3702TIP3    H217416   2.803   1.609  -4.318
 3703TIP3   OH217417   2.891   1.824  -3.835
 3703TIP3    H117418   2.917   1.730  -3.828
 3703TIP3    H217419   2.973   1.862  -3.872
 3704TIP3   OH217420   2.921   1.882  -3.289
 3704TIP3    H117421   3.018   1.893  -3.291
 3704TIP3    H217422   2.906   1.884  -3.193
 3705TIP3   OH217423   2.937   1.952  -3.006
 3705TIP3    H117424   2.851   1.990  -2.980
 3705TIP3    H217425   2.989   2.031  -3.028
 3706TIP3   OH217426   1.388   1.831  -2.643
 3706TIP3    H117427   1.482   1.804  -2.635
 3706TIP3    H217428   1.343   1.745  -2.634
 3707TIP3   OH217429   3.191   1.367  -2.478
 3707TIP3    H117430   3.234   1.297  -2.531
 3707TIP3    H217431   3.196   1.444  -2.537
 3708TIP3   OH217432   2.942   1.549  -3.830
 3708TIP3    H117433   2.952   1.511  -3.741
 3708TIP3    H217434   2.868   1.495  -3.865
 3709TIP3   OH217435   1.463   1.661  -3.359
 3709TIP3    H117436   1.510   1.576  -3.353
 3709TIP3    H217437   1.531   1.721  -3.324
 3710TIP3   OH217438   1.317   1.929  -3.255
 3710TIP3    H117439   1.375   1.926  -3.333
 3710TIP3    H217440   1.353   2.005  -3.208
 3711TIP3   OH217441   3.130   1.573  -2.654
 3711TIP3    H117442   3.042   1.614  -2.651
 3711TIP3    H217443   3.120   1.516  -2.733
 3712TIP3   OH217444   3.145   1.587  -4.174
 3712TIP3    H117445   3.168   1.517  -4.235
 3712TIP3    H217446   3.228   1.638  -4.170
 3713TIP3   OH217447   1.366   1.568  -3.849
 3713TIP3    H117448   1.272   1.566  -3.872
 3713TIP3    H217449   1.405   1.623  -3.919
 3714TIP3   OH217450   2.826   3.086  -3.638
 3714TIP3    H117451   2.872   3.064  -3.721
 3714TIP3    H217452   2.897   3.129  -3.588
 3715TIP3   OH217453   1.359   1.454  -3.020
 3715TIP3    H117454   1.287   1.409  -2.976
 3715TIP3    H217455   1.312   1.503  -3.091
 3716TIP3   OH217456   1.570   2.763  -2.567
 3716TIP3    H117457   1.497   2.758  -2.630
 3716TIP3    H217458   1.525   2.754  -2.482
 3717TIP3   OH217459   1.854   2.858  -3.000
 3717TIP3    H117460   1.823   2.944  -3.035
 3717TIP3    H217461   1.950   2.868  -3.017
 3718TIP3   OH217462   2.305   2.989  -2.698
 3718TIP3    H117463   2.319   2.972  -2.604
 3718TIP3    H217464   2.388   3.034  -2.723
 3719TIP3   OH217465   2.534   3.135  -2.775
 3719TIP3    H117466   2.603   3.071  -2.797
 3719TIP3    H217467   2.564   3.165  -2.687
 3720TIP3   OH217468   3.017   1.395  -2.855
 3720TIP3    H117469   2.937   1.413  -2.906
 3720TIP3    H217470   3.039   1.305  -2.888
 3721TIP3   OH217471   1.592   3.154  -2.966
 3721TIP3    H117472   1.532   3.217  -3.011
 3721TIP3    H217473   1.558   3.158  -2.876
 3722TIP3   OH217474   1.841   3.131  -3.111
 3722TIP3    H117475   1.756   3.150  -3.068
 3722TIP3    H217476   1.844   3.201  -3.180
 3723TIP3   OH217477   2.315   3.131  -3.155
 3723TIP3    H117478   2.278   3.176  -3.233
 3723TIP3    H217479   2.324   3.205  -3.092
 3724TIP3   OH217480   2.549   3.002  -3.063
 3724TIP3    H117481   2.464   3.039  -3.096
 3724TIP3    H217482   2.605   3.081  -3.065
 3725TIP3   OH217483   2.802   3.175  -3.044
 3725TIP3    H117484   2.798   3.270  -3.067
 3725TIP3    H217485   2.830   3.137  -3.129
 3726TIP3   OH217486   1.550   3.034  -3.272
 3726TIP3    H117487   1.548   2.985  -3.187
 3726TIP3    H217488   1.626   2.990  -3.315
 3727TIP3   OH217489   1.752   2.909  -3.429
 3727TIP3    H117490   1.736   2.816  -3.401
 3727TIP3    H217491   1.843   2.924  -3.396
 3728TIP3   OH217492   2.027   2.955  -3.339
 3728TIP3    H117493   2.046   2.862  -3.360
 3728TIP3    H217494   2.034   2.953  -3.243
 3729TIP3   OH217495   2.360   1.544  -3.410
 3729TIP3    H117496   2.291   1.477  -3.395
 3729TIP3    H217497   2.420   1.498  -3.470
 3730TIP3   OH217498   2.855   1.348  -3.362
 3730TIP3    H117499   2.931   1.391  -3.405
 3730TIP3    H217500   2.780   1.375  -3.418
 3731TIP3   OH217501   3.064   1.456  -3.575
 3731TIP3    H117502   3.134   1.416  -3.628
 3731TIP3    H217503   3.095   1.549  -3.567
 3732TIP3   OH217504   1.596   1.416  -3.653
 3732TIP3    H117505   1.510   1.404  -3.697
 3732TIP3    H217506   1.637   1.329  -3.668
 3733TIP3   OH217507   1.476   1.371  -4.079
 3733TIP3    H117508   1.533   1.435  -4.127
 3733TIP3    H217509   1.440   1.427  -4.008
 3734TIP3   OH217510   2.041   1.402  -3.666
 3734TIP3    H117511   2.134   1.428  -3.680
 3734TIP3    H217512   2.040   1.389  -3.570
 3735TIP3   OH217513   2.603   1.402  -3.524
 3735TIP3    H117514   2.627   1.387  -3.616
 3735TIP3    H217515   2.563   1.317  -3.500
 3736TIP3   OH217516   2.706   1.400  -3.920
 3736TIP3    H117517   2.628   1.445  -3.956
 3736TIP3    H217518   2.674   1.308  -3.914
 3737TIP3   OH217519   1.484   2.962  -3.967
 3737TIP3    H117520   1.410   2.960  -4.031
 3737TIP3    H217521   1.482   3.054  -3.940
 3738TIP3   OH217522   1.642   1.546  -4.229
 3738TIP3    H117523   1.693   1.483  -4.283
 3738TIP3    H217524   1.712   1.589  -4.178
 3739TIP3   OH217525   2.155   1.564  -3.959
 3739TIP3    H117526   2.194   1.508  -3.891
 3739TIP3    H217527   2.178   1.652  -3.924
 3740TIP3   OH217528   2.359   3.124  -4.145
 3740TIP3    H117529   2.457   3.136  -4.149
 3740TIP3    H217530   2.348   3.064  -4.221
 3741TIP3   OH217531   3.003   3.045  -3.885
 3741TIP3    H117532   2.983   2.962  -3.932
 3741TIP3    H217533   2.999   3.111  -3.957
 3742TIP3   OH217534   1.575   1.438  -2.701
 3742TIP3    H117535   1.535   1.357  -2.664
 3742TIP3    H217536   1.667   1.427  -2.673
 3743TIP3   OH217537   1.814   1.378  -2.526
 3743TIP3    H117538   1.896   1.344  -2.568
 3743TIP3    H217539   1.778   1.298  -2.485
 3744TIP3   OH217540   1.682   3.068  -4.232
 3744TIP3    H117541   1.640   3.095  -4.150
 3744TIP3    H217542   1.746   3.001  -4.205
 3745TIP3   OH217543   2.626   1.292  -2.509
 3745TIP3    H117544   2.629   1.247  -2.422
 3745TIP3    H217545   2.720   1.286  -2.536
 3746TIP3   OH217546   2.962   2.923  -2.641
 3746TIP3    H117547   2.889   2.903  -2.702
 3746TIP3    H217548   2.945   3.016  -2.621
 3747TIP3   OH217549   4.213   2.197  -3.313
 3747TIP3    H117550   4.291   2.228  -3.263
 3747TIP3    H217551   4.246   2.197  -3.403
 3748TIP3   OH217552   3.515   2.193  -3.152
 3748TIP3    H117553   3.514   2.118  -3.089
 3748TIP3    H217554   3.587   2.247  -3.117
 3749TIP3   OH217555   3.580   2.655  -3.300
 3749TIP3    H117556   3.557   2.564  -3.328
 3749TIP3    H217557   3.675   2.644  -3.282
 3750TIP3   OH217558   3.281   1.996  -3.763
 3750TIP3    H117559   3.241   2.084  -3.752
 3750TIP3    H217560   3.210   1.948  -3.808
 3751TIP3   OH217561   3.360   2.242  -3.579
 3751TIP3    H117562   3.376   2.159  -3.529
 3751TIP3    H217563   3.445   2.255  -3.624
 3752TIP3   OH217564   4.120   2.485  -3.253
 3752TIP3    H117565   4.146   2.412  -3.310
 3752TIP3    H217566   4.204   2.507  -3.210
 3753TIP3   OH217567   3.745   1.720  -3.505
 3753TIP3    H117568   3.758   1.806  -3.549
 3753TIP3    H217569   3.707   1.669  -3.579
 3754TIP3   OH217570   3.412   1.992  -3.453
 3754TIP3    H117571   3.475   1.945  -3.397
 3754TIP3    H217572   3.420   1.944  -3.537
 3755TIP3   OH217573   3.952   2.129  -3.507
 3755TIP3    H117574   4.027   2.077  -3.472
 3755TIP3    H217575   3.902   2.059  -3.553
 3756TIP3   OH217576   3.624   1.598  -3.089
 3756TIP3    H117577   3.584   1.649  -3.161
 3756TIP3    H217578   3.558   1.612  -3.018
 3757TIP3   OH217579   3.915   2.381  -3.074
 3757TIP3    H117580   3.843   2.442  -3.049
 3757TIP3    H217581   3.980   2.442  -3.114
 3758TIP3   OH217582   3.584   1.803  -3.295
 3758TIP3    H117583   3.648   1.861  -3.249
 3758TIP3    H217584   3.642   1.766  -3.365
 3759TIP3   OH217585   3.715   2.573  -3.002
 3759TIP3    H117586   3.714   2.664  -3.036
 3759TIP3    H217587   3.628   2.570  -2.959
 3760TIP3   OH217588   3.345   2.547  -3.918
 3760TIP3    H117589   3.327   2.593  -4.002
 3760TIP3    H217590   3.364   2.621  -3.856
 3761TIP3   OH217591   4.043   1.345  -3.375
 3761TIP3    H117592   4.014   1.252  -3.375
 3761TIP3    H217593   3.963   1.389  -3.338
 3762TIP3   OH217594   4.272   2.224  -3.918
 3762TIP3    H117595   4.202   2.293  -3.922
 3762TIP3    H217596   4.338   2.264  -3.976
 3763TIP3   OH217597   4.286   2.082  -4.213
 3763TIP3    H117598   4.352   2.089  -4.142
 3763TIP3    H217599   4.302   1.995  -4.247
 3764TIP3   OH217600   3.758   2.317  -3.614
 3764TIP3    H117601   3.729   2.274  -3.697
 3764TIP3    H217602   3.824   2.254  -3.580
 3765TIP3   OH217603   3.896   2.656  -3.339
 3765TIP3    H117604   3.888   2.619  -3.428
 3765TIP3    H217605   3.976   2.612  -3.306
 3766TIP3   OH217606   3.815   2.201  -3.267
 3766TIP3    H117607   3.876   2.199  -3.344
 3766TIP3    H217608   3.857   2.266  -3.209
 3767TIP3   OH217609   3.903   2.635  -2.784
 3767TIP3    H117610   3.852   2.701  -2.736
 3767TIP3    H217611   3.840   2.608  -2.854
 3768TIP3   OH217612   3.595   2.269  -2.869
 3768TIP3    H117613   3.600   2.330  -2.794
 3768TIP3    H217614   3.499   2.259  -2.880
 3769TIP3   OH217615   4.251   2.844  -3.699
 3769TIP3    H117616   4.299   2.892  -3.630
 3769TIP3    H217617   4.199   2.914  -3.740
 3770TIP3   OH217618   3.711   2.852  -2.701
 3770TIP3    H117619   3.701   2.855  -2.798
 3770TIP3    H217620   3.623   2.823  -2.671
 3771TIP3   OH217621   3.652   2.192  -3.865
 3771TIP3    H117622   3.628   2.269  -3.918
 3771TIP3    H217623   3.582   2.130  -3.887
 3772TIP3   OH217624   3.255   2.461  -2.989
 3772TIP3    H117625   3.212   2.461  -3.077
 3772TIP3    H217626   3.269   2.366  -2.974
 3773TIP3   OH217627   3.261   2.753  -3.296
 3773TIP3    H117628   3.355   2.726  -3.293
 3773TIP3    H217629   3.257   2.816  -3.222
 3774TIP3   OH217630   4.173   2.735  -2.833
 3774TIP3    H117631   4.180   2.824  -2.795
 3774TIP3    H217632   4.082   2.709  -2.812
 3775TIP3   OH217633   4.183   3.116  -3.846
 3775TIP3    H117634   4.206   3.111  -3.940
 3775TIP3    H217635   4.211   3.205  -3.821
 3776TIP3   OH217636   3.578   3.004  -3.703
 3776TIP3    H117637   3.586   3.013  -3.607
 3776TIP3    H217638   3.486   3.030  -3.715
 3777TIP3   OH217639   3.474   2.620  -2.867
 3777TIP3    H117640   3.500   2.572  -2.786
 3777TIP3    H217641   3.401   2.566  -2.902
 3778TIP3   OH217642   3.797   1.462  -3.291
 3778TIP3    H117643   3.714   1.455  -3.341
 3778TIP3    H217644   3.776   1.536  -3.232
 3779TIP3   OH217645   4.234   1.399  -2.862
 3779TIP3    H117646   4.245   1.326  -2.799
 3779TIP3    H217647   4.142   1.381  -2.894
 3780TIP3   OH217648   4.223   1.669  -4.207
 3780TIP3    H117649   4.159   1.666  -4.136
 3780TIP3    H217650   4.189   1.603  -4.268
 3781TIP3   OH217651   3.779   1.942  -3.149
 3781TIP3    H117652   3.720   1.954  -3.072
 3781TIP3    H217653   3.787   2.034  -3.184
 3782TIP3   OH217654   3.774   1.948  -3.660
 3782TIP3    H117655   3.678   1.939  -3.676
 3782TIP3    H217656   3.809   1.932  -3.750
 3783TIP3   OH217657   4.272   1.999  -3.711
 3783TIP3    H117658   4.266   2.093  -3.736
 3783TIP3    H217659   4.366   1.990  -3.689
 3784TIP3   OH217660   4.252   2.032  -2.626
 3784TIP3    H117661   4.195   1.952  -2.613
 3784TIP3    H217662   4.338   1.987  -2.629
 3785TIP3   OH217663   3.515   1.959  -2.963
 3785TIP3    H117664   3.544   1.988  -2.876
 3785TIP3    H217665   3.482   1.870  -2.944
 3786TIP3   OH217666   3.893   1.693  -4.314
 3786TIP3    H117667   3.855   1.673  -4.226
 3786TIP3    H217668   3.822   1.750  -4.350
 3787TIP3   OH217669   3.200   1.705  -3.600
 3787TIP3    H117670   3.261   1.701  -3.525
 3787TIP3    H217671   3.250   1.666  -3.673
 3788TIP3   OH217672   3.358   1.748  -4.039
 3788TIP3    H117673   3.413   1.798  -4.102
 3788TIP3    H217674   3.290   1.814  -4.017
 3789TIP3   OH217675   4.350   2.084  -3.022
 3789TIP3    H117676   4.378   2.018  -3.089
 3789TIP3    H217677   4.272   2.040  -2.987
 3790TIP3   OH217678   4.047   1.683  -3.553
 3790TIP3    H117679   3.954   1.697  -3.532
 3790TIP3    H217680   4.089   1.714  -3.471
 3791TIP3   OH217681   3.509   1.830  -3.690
 3791TIP3    H117682   3.427   1.857  -3.734
 3791TIP3    H217683   3.536   1.751  -3.740
 3792TIP3   OH217684   3.872   1.865  -3.926
 3792TIP3    H117685   3.967   1.881  -3.919
 3792TIP3    H217686   3.843   1.925  -3.997
 3793TIP3   OH217687   3.731   1.981  -4.157
 3793TIP3    H117688   3.667   1.934  -4.213
 3793TIP3    H217689   3.803   2.000  -4.219
 3794TIP3   OH217690   3.581   2.462  -2.648
 3794TIP3    H117691   3.650   2.471  -2.578
 3794TIP3    H217692   3.501   2.463  -2.591
 3795TIP3   OH217693   4.137   1.917  -3.414
 3795TIP3    H117694   4.219   1.893  -3.460
 3795TIP3    H217695   4.164   1.913  -3.321
 3796TIP3   OH217696   3.684   1.604  -3.764
 3796TIP3    H117697   3.627   1.527  -3.746
 3796TIP3    H217698   3.767   1.562  -3.792
 3797TIP3   OH217699   4.048   1.796  -3.144
 3797TIP3    H117700   3.980   1.863  -3.161
 3797TIP3    H217701   4.101   1.837  -3.073
 3798TIP3   OH217702   4.071   2.428  -3.953
 3798TIP3    H117703   3.991   2.387  -3.990
 3798TIP3    H217704   4.048   2.443  -3.858
 3799TIP3   OH217705   4.206   2.433  -2.832
 3799TIP3    H117706   4.183   2.424  -2.740
 3799TIP3    H217707   4.214   2.529  -2.845
 3800TIP3   OH217708   3.577   2.385  -3.379
 3800TIP3    H117709   3.635   2.376  -3.457
 3800TIP3    H217710   3.591   2.299  -3.335
 3801TIP3   OH217711   4.282   2.574  -4.050
 3801TIP3    H117712   4.252   2.666  -4.035
 3801TIP3    H217713   4.205   2.524  -4.018
 3802TIP3   OH217714   3.303   2.214  -2.851
 3802TIP3    H117715   3.321   2.168  -2.766
 3802TIP3    H217716   3.244   2.153  -2.897
 3803TIP3   OH217717   4.002   2.164  -2.650
 3803TIP3    H117718   3.967   2.134  -2.736
 3803TIP3    H217719   4.096   2.140  -2.659
 3804TIP3   OH217720   3.814   2.715  -3.654
 3804TIP3    H117721   3.856   2.802  -3.665
 3804TIP3    H217722   3.721   2.738  -3.672
 3805TIP3   OH217723   3.424   2.205  -4.200
 3805TIP3    H117724   3.479   2.271  -4.153
 3805TIP3    H217725   3.334   2.226  -4.167
 3806TIP3   OH217726   3.994   2.482  -3.692
 3806TIP3    H117727   3.970   2.575  -3.677
 3806TIP3    H217728   3.922   2.436  -3.648
 3807TIP3   OH217729   4.020   2.913  -3.050
 3807TIP3    H117730   4.078   2.983  -3.087
 3807TIP3    H217731   4.085   2.861  -3.001
 3808TIP3   OH217732   3.856   3.005  -3.734
 3808TIP3    H117733   3.758   3.013  -3.726
 3808TIP3    H217734   3.885   3.094  -3.708
 3809TIP3   OH217735   3.436   1.680  -2.890
 3809TIP3    H117736   3.345   1.704  -2.917
 3809TIP3    H217737   3.421   1.592  -2.850
 3810TIP3   OH217738   3.410   2.861  -3.060
 3810TIP3    H117739   3.443   2.772  -3.047
 3810TIP3    H217740   3.436   2.903  -2.978
 3811TIP3   OH217741   4.012   2.712  -4.333
 3811TIP3    H117742   4.077   2.641  -4.348
 3811TIP3    H217743   3.972   2.685  -4.248
 3812TIP3   OH217744   3.883   2.666  -4.075
 3812TIP3    H117745   3.931   2.618  -4.006
 3812TIP3    H217746   3.898   2.759  -4.049
 3813TIP3   OH217747   3.562   2.410  -4.036
 3813TIP3    H117748   3.488   2.451  -3.987
 3813TIP3    H217749   3.610   2.489  -4.065
 3814TIP3   OH217750   4.339   1.707  -2.982
 3814TIP3    H117751   4.381   1.628  -2.948
 3814TIP3    H217752   4.274   1.669  -3.043
 3815TIP3   OH217753   4.162   2.830  -4.028
 3815TIP3    H117754   4.086   2.881  -3.999
 3815TIP3    H217755   4.216   2.901  -4.067
 3816TIP3   OH217756   4.139   1.791  -3.816
 3816TIP3    H117757   4.198   1.865  -3.788
 3816TIP3    H217758   4.100   1.773  -3.729
 3817TIP3   OH217759   4.163   1.892  -2.895
 3817TIP3    H117760   4.183   1.945  -2.817
 3817TIP3    H217761   4.236   1.827  -2.898
 3818TIP3   OH217762   4.194   1.502  -3.698
 3818TIP3    H117763   4.164   1.580  -3.645
 3818TIP3    H217764   4.272   1.539  -3.744
 3819TIP3   OH217765   3.888   2.947  -4.026
 3819TIP3    H117766   3.899   3.032  -4.072
 3819TIP3    H217767   3.874   2.976  -3.934
 3820TIP3   OH217768   3.770   1.616  -4.081
 3820TIP3    H117769   3.761   1.688  -4.016
 3820TIP3    H217770   3.844   1.565  -4.044
 3821TIP3   OH217771   3.604   2.702  -4.157
 3821TIP3    H117772   3.682   2.738  -4.112
 3821TIP3    H217773   3.646   2.654  -4.229
 3822TIP3   OH217774   3.433   1.923  -4.257
 3822TIP3    H117775   3.445   2.018  -4.240
 3822TIP3    H217776   3.341   1.921  -4.291
 3823TIP3   OH217777   3.517   1.418  -3.371
 3823TIP3    H117778   3.498   1.416  -3.467
 3823TIP3    H217779   3.483   1.332  -3.340
 3824TIP3   OH217780   3.396   2.765  -3.756
 3824TIP3    H117781   3.334   2.826  -3.714
 3824TIP3    H217782   3.461   2.826  -3.793
 3825TIP3   OH217783   3.345   3.059  -2.628
 3825TIP3    H117784   3.404   3.031  -2.555
 3825TIP3    H217785   3.307   2.974  -2.657
 3826TIP3   OH217786   3.814   2.966  -2.451
 3826TIP3    H117787   3.882   2.899  -2.429
 3826TIP3    H217788   3.790   2.938  -2.541
 3827TIP3   OH217789   4.224   2.900  -4.338
 3827TIP3    H117790   4.150   2.837  -4.329
 3827TIP3    H217791   4.297   2.842  -4.363
 3828TIP3   OH217792   3.339   2.420  -2.515
 3828TIP3    H117793   3.351   2.331  -2.553
 3828TIP3    H217794   3.264   2.453  -2.569
 3829TIP3   OH217795   3.765   2.460  -4.315
 3829TIP3    H117796   3.792   2.414  -4.234
 3829TIP3    H217797   3.848   2.467  -4.366
 3830TIP3   OH217798   4.007   2.443  -2.584
 3830TIP3    H117799   3.979   2.476  -2.671
 3830TIP3    H217800   4.015   2.346  -2.599
 3831TIP3   OH217801   4.272   2.576  -4.350
 3831TIP3    H117802   4.323   2.613  -4.275
 3831TIP3    H217803   4.333   2.509  -4.383
 3832TIP3   OH217804   3.426   2.133  -2.599
 3832TIP3    H117805   3.501   2.072  -2.600
 3832TIP3    H217806   3.423   2.157  -2.505
 3833TIP3   OH217807   3.866   2.273  -4.093
 3833TIP3    H117808   3.806   2.228  -4.031
 3833TIP3    H217809   3.901   2.197  -4.144
 3834TIP3   OH217810   3.795   2.052  -2.854
 3834TIP3    H117811   3.739   2.130  -2.837
 3834TIP3    H217812   3.853   2.085  -2.925
 3835TIP3   OH217813   4.000   2.063  -4.269
 3835TIP3    H117814   3.979   2.076  -4.363
 3835TIP3    H217815   4.090   2.097  -4.260
 3836TIP3   OH217816   4.283   2.298  -2.484
 3836TIP3    H117817   4.353   2.267  -2.543
 3836TIP3    H217818   4.267   2.217  -2.433
 3837TIP3   OH217819   3.856   1.780  -2.740
 3837TIP3    H117820   3.862   1.714  -2.812
 3837TIP3    H217821   3.838   1.861  -2.791
 3838TIP3   OH217822   3.886   1.623  -2.998
 3838TIP3    H117823   3.937   1.681  -3.059
 3838TIP3    H217824   3.795   1.628  -3.033
 3839TIP3   OH217825   4.066   2.163  -2.966
 3839TIP3    H117826   4.136   2.163  -3.033
 3839TIP3    H217827   4.029   2.252  -2.978
 3840TIP3   OH217828   3.673   1.961  -2.561
 3840TIP3    H117829   3.620   1.879  -2.564
 3840TIP3    H217830   3.754   1.933  -2.607
 3841TIP3   OH217831   3.972   1.362  -2.962
 3841TIP3    H117832   3.948   1.455  -2.979
 3841TIP3    H217833   3.905   1.315  -3.016
 3842TIP3   OH217834   4.103   1.807  -2.586
 3842TIP3    H117835   4.062   1.782  -2.501
 3842TIP3    H217836   4.030   1.785  -2.646
 3843TIP3   OH217837   3.538   1.709  -2.579
 3843TIP3    H117838   3.532   1.638  -2.645
 3843TIP3    H217839   3.518   1.661  -2.497
 3844TIP3   OH217840   3.945   1.309  -2.679
 3844TIP3    H117841   4.003   1.232  -2.673
 3844TIP3    H217842   3.942   1.324  -2.775
 3845TIP3   OH217843   4.036   1.489  -2.486
 3845TIP3    H117844   4.006   1.433  -2.560
 3845TIP3    H217845   3.972   1.562  -2.487
 3846TIP3   OH217846   3.960   3.193  -4.175
 3846TIP3    H117847   4.053   3.212  -4.159
 3846TIP3    H217848   3.935   3.261  -4.240
 3847TIP3   OH217849   3.331   2.605  -4.200
 3847TIP3    H117850   3.422   2.641  -4.194
 3847TIP3    H217851   3.336   2.548  -4.278
 3848TIP3   OH217852   3.251   3.136  -3.753
 3848TIP3    H117853   3.158   3.112  -3.771
 3848TIP3    H217854   3.263   3.105  -3.661
 3849TIP3   OH217855   3.275   2.958  -3.517
 3849TIP3    H117856   3.251   2.874  -3.475
 3849TIP3    H217857   3.305   3.008  -3.439
 3850TIP3   OH217858   3.280   2.291  -3.280
 3850TIP3    H117859   3.305   2.299  -3.373
 3850TIP3    H217860   3.368   2.271  -3.240
 3851TIP3   OH217861   3.273   1.828  -2.638
 3851TIP3    H117862   3.366   1.801  -2.637
 3851TIP3    H217863   3.228   1.741  -2.633
 3852TIP3   OH217864   3.349   1.661  -3.360
 3852TIP3    H117865   3.395   1.576  -3.351
 3852TIP3    H217866   3.417   1.722  -3.325
 3853TIP3   OH217867   3.204   1.929  -3.254
 3853TIP3    H117868   3.261   1.925  -3.333
 3853TIP3    H217869   3.240   2.006  -3.209
 3854TIP3   OH217870   3.252   1.564  -3.852
 3854TIP3    H117871   3.157   1.565  -3.871
 3854TIP3    H217872   3.289   1.623  -3.920
 3855TIP3   OH217873   3.257   1.453  -3.033
 3855TIP3    H117874   3.186   1.423  -2.975
 3855TIP3    H217875   3.207   1.503  -3.100
 3856TIP3   OH217876   3.456   2.757  -2.567
 3856TIP3    H117877   3.383   2.759  -2.631
 3856TIP3    H217878   3.409   2.757  -2.482
 3857TIP3   OH217879   3.741   2.859  -2.999
 3857TIP3    H117880   3.710   2.944  -3.033
 3857TIP3    H217881   3.837   2.869  -3.016
 3858TIP3   OH217882   4.219   3.023  -2.710
 3858TIP3    H117883   4.205   2.985  -2.621
 3858TIP3    H217884   4.314   3.043  -2.704
 3859TIP3   OH217885   3.480   3.154  -2.961
 3859TIP3    H117886   3.422   3.213  -3.013
 3859TIP3    H217887   3.438   3.160  -2.875
 3860TIP3   OH217888   3.738   3.139  -3.103
 3860TIP3    H117889   3.649   3.151  -3.065
 3860TIP3    H217890   3.731   3.190  -3.186
 3861TIP3   OH217891   4.196   3.108  -3.156
 3861TIP3    H117892   4.172   3.160  -3.234
 3861TIP3    H217893   4.253   3.168  -3.107
 3862TIP3   OH217894   3.437   3.070  -3.272
 3862TIP3    H117895   3.443   3.007  -3.198
 3862TIP3    H217896   3.509   3.040  -3.330
 3863TIP3   OH217897   3.631   2.913  -3.423
 3863TIP3    H117898   3.616   2.819  -3.401
 3863TIP3    H217899   3.724   2.926  -3.397
 3864TIP3   OH217900   3.914   2.960  -3.340
 3864TIP3    H117901   3.933   2.868  -3.364
 3864TIP3    H217902   3.920   2.955  -3.243
 3865TIP3   OH217903   4.270   1.506  -3.404
 3865TIP3    H117904   4.182   1.465  -3.394
 3865TIP3    H217905   4.294   1.476  -3.492
 3866TIP3   OH217906   3.483   1.416  -3.654
 3866TIP3    H117907   3.395   1.404  -3.697
 3866TIP3    H217908   3.523   1.329  -3.668
 3867TIP3   OH217909   3.360   1.372  -4.082
 3867TIP3    H117910   3.418   1.437  -4.127
 3867TIP3    H217911   3.325   1.424  -4.008
 3868TIP3   OH217912   3.933   1.397  -3.665
 3868TIP3    H117913   4.025   1.429  -3.672
 3868TIP3    H217914   3.924   1.390  -3.569
 3869TIP3   OH217915   3.374   2.966  -3.983
 3869TIP3    H117916   3.293   2.967  -4.035
 3869TIP3    H217917   3.362   3.043  -3.926
 3870TIP3   OH217918   3.527   1.543  -4.231
 3870TIP3    H117919   3.585   1.485  -4.283
 3870TIP3    H217920   3.592   1.595  -4.181
 3871TIP3   OH217921   4.062   1.561  -3.965
 3871TIP3    H117922   4.067   1.506  -3.886
 3871TIP3    H217923   4.059   1.650  -3.926
 3872TIP3   OH217924   4.261   3.068  -4.123
 3872TIP3    H117925   4.317   3.146  -4.149
 3872TIP3    H217926   4.244   3.031  -4.213
 3873TIP3   OH217927   3.460   1.439  -2.699
 3873TIP3    H117928   3.420   1.357  -2.665
 3873TIP3    H217929   3.553   1.426  -2.673
 3874TIP3   OH217930   3.698   1.377  -2.527
 3874TIP3    H117931   3.781   1.342  -2.566
 3874TIP3    H217932   3.663   1.298  -2.484
 3875TIP3   OH217933   3.567   3.068  -4.231
 3875TIP3    H117934   3.525   3.090  -4.146
 3875TIP3    H217935   3.634   3.004  -4.206
 3876TIP3   OH217936  -3.158   4.203  -3.646
 3876TIP3    H117937  -3.188   4.295  -3.645
 3876TIP3    H217938  -3.231   4.160  -3.693
 3877TIP3   OH217939  -3.281   4.133  -3.317
 3877TIP3    H117940  -3.275   4.080  -3.236
 3877TIP3    H217941  -3.303   4.067  -3.384
 3878TIP3   OH217942  -4.023   4.077  -3.161
 3878TIP3    H117943  -4.035   4.008  -3.094
 3878TIP3    H217944  -3.965   4.138  -3.114
 3879TIP3   OH217945  -4.200   3.931  -3.847
 3879TIP3    H117946  -4.244   4.010  -3.813
 3879TIP3    H217947  -4.268   3.888  -3.901
 3880TIP3   OH217948  -4.199   4.123  -3.595
 3880TIP3    H117949  -4.192   4.052  -3.529
 3880TIP3    H217950  -4.106   4.139  -3.613
 3881TIP3   OH217951  -2.560   3.523  -3.199
 3881TIP3    H117952  -2.535   3.584  -3.128
 3881TIP3    H217953  -2.498   3.551  -3.270
 3882TIP3   OH217954  -3.096   3.804  -3.212
 3882TIP3    H117955  -3.082   3.708  -3.207
 3882TIP3    H217956  -3.105   3.817  -3.307
 3883TIP3   OH217957  -3.800   3.605  -3.505
 3883TIP3    H117958  -3.786   3.690  -3.551
 3883TIP3    H217959  -3.833   3.551  -3.580
 3884TIP3   OH217960  -3.016   3.621  -3.674
 3884TIP3    H117961  -2.958   3.578  -3.608
 3884TIP3    H217962  -2.949   3.665  -3.729
 3885TIP3   OH217963  -4.141   3.877  -3.452
 3885TIP3    H117964  -4.077   3.839  -3.389
 3885TIP3    H217965  -4.120   3.825  -3.532
 3886TIP3   OH217966  -3.589   4.017  -3.506
 3886TIP3    H117967  -3.522   3.959  -3.467
 3886TIP3    H217968  -3.644   3.953  -3.554
 3887TIP3   OH217969  -2.488   3.659  -2.951
 3887TIP3    H117970  -2.546   3.732  -2.980
 3887TIP3    H217971  -2.507   3.658  -2.856
 3888TIP3   OH217972  -3.918   3.487  -3.088
 3888TIP3    H117973  -3.963   3.531  -3.161
 3888TIP3    H217974  -3.981   3.504  -3.014
 3889TIP3   OH217975  -3.648   4.268  -3.109
 3889TIP3    H117976  -3.728   4.323  -3.108
 3889TIP3    H217977  -3.581   4.337  -3.119
 3890TIP3   OH217978  -2.832   3.547  -3.470
 3890TIP3    H117979  -2.871   3.488  -3.404
 3890TIP3    H217980  -2.780   3.607  -3.414
 3891TIP3   OH217981  -3.958   3.692  -3.297
 3891TIP3    H117982  -3.894   3.749  -3.250
 3891TIP3    H217983  -3.901   3.655  -3.367
 3892TIP3   OH217984  -2.818   3.460  -3.085
 3892TIP3    H117985  -2.895   3.501  -3.130
 3892TIP3    H217986  -2.745   3.481  -3.147
 3893TIP3   OH217987  -3.505   3.233  -3.380
 3893TIP3    H117988  -3.528   3.138  -3.385
 3893TIP3    H217989  -3.588   3.271  -3.343
 3894TIP3   OH217990  -3.303   4.141  -3.909
 3894TIP3    H117991  -3.368   4.181  -3.968
 3894TIP3    H217992  -3.226   4.135  -3.968
 3895TIP3   OH217993  -3.272   3.949  -4.201
 3895TIP3    H117994  -3.200   3.981  -4.144
 3895TIP3    H217995  -3.222   3.889  -4.260
 3896TIP3   OH217996  -2.556   4.055  -3.081
 3896TIP3    H117997  -2.620   4.128  -3.067
 3896TIP3    H217998  -2.504   4.094  -3.155
 3897TIP3   OH217999  -2.937   4.140  -3.807
 3897TIP3    H118000  -3.002   4.161  -3.738
 3897TIP3    H218001  -2.870   4.089  -3.757
 3898TIP3   OH218002  -2.963   3.980  -2.912
 3898TIP3    H118003  -2.959   4.057  -2.852
 3898TIP3    H218004  -3.018   4.018  -2.983
 3899TIP3   OH218005  -3.774   4.216  -3.614
 3899TIP3    H118006  -3.802   4.182  -3.701
 3899TIP3    H218007  -3.704   4.153  -3.589
 3900TIP3   OH218008  -3.732   4.076  -3.275
 3900TIP3    H118009  -3.670   4.076  -3.351
 3900TIP3    H218010  -3.696   4.145  -3.217
 3901TIP3   OH218011  -3.039   4.078  -4.056
 3901TIP3    H118012  -2.988   4.102  -3.975
 3901TIP3    H218013  -2.978   4.109  -4.126
 3902TIP3   OH218014  -3.957   4.144  -2.874
 3902TIP3    H118015  -3.949   4.202  -2.795
 3902TIP3    H218016  -4.047   4.169  -2.904
 3903TIP3   OH218017  -2.693   3.237  -4.075
 3903TIP3    H118018  -2.789   3.248  -4.057
 3903TIP3    H218019  -2.669   3.327  -4.102
 3904TIP3   OH218020  -3.896   4.084  -3.861
 3904TIP3    H118021  -3.916   4.163  -3.916
 3904TIP3    H218022  -3.966   4.023  -3.888
 3905TIP3   OH218023  -4.201   4.274  -2.997
 3905TIP3    H118024  -4.256   4.317  -3.064
 3905TIP3    H218025  -4.265   4.243  -2.931
 3906TIP3   OH218026  -2.765   3.837  -2.678
 3906TIP3    H118027  -2.814   3.875  -2.752
 3906TIP3    H218028  -2.759   3.743  -2.705
 3907TIP3   OH218029  -3.749   3.347  -3.289
 3907TIP3    H118030  -3.831   3.340  -3.340
 3907TIP3    H218031  -3.771   3.422  -3.231
 3908TIP3   OH218032  -3.311   3.306  -2.924
 3908TIP3    H118033  -3.258   3.254  -2.861
 3908TIP3    H218034  -3.401   3.272  -2.911
 3909TIP3   OH218035  -2.995   3.685  -2.873
 3909TIP3    H118036  -3.055   3.671  -2.798
 3909TIP3    H218037  -3.001   3.781  -2.889
 3910TIP3   OH218038  -2.841   4.146  -4.251
 3910TIP3    H118039  -2.858   4.154  -4.346
 3910TIP3    H218040  -2.794   4.229  -4.233
 3911TIP3   OH218041  -3.327   3.544  -4.215
 3911TIP3    H118042  -3.385   3.550  -4.139
 3911TIP3    H218043  -3.373   3.478  -4.268
 3912TIP3   OH218044  -3.761   3.827  -3.147
 3912TIP3    H118045  -3.821   3.839  -3.072
 3912TIP3    H218046  -3.755   3.918  -3.185
 3913TIP3   OH218047  -3.770   3.832  -3.661
 3913TIP3    H118048  -3.865   3.830  -3.680
 3913TIP3    H218049  -3.734   3.817  -3.751
 3914TIP3   OH218050  -3.198   3.896  -3.784
 3914TIP3    H118051  -3.245   3.972  -3.823
 3914TIP3    H218052  -3.135   3.872  -3.855
 3915TIP3   OH218053  -3.288   3.921  -2.639
 3915TIP3    H118054  -3.337   3.843  -2.607
 3915TIP3    H218055  -3.198   3.905  -2.602
 3916TIP3   OH218056  -3.123   3.829  -3.507
 3916TIP3    H118057  -3.147   3.884  -3.584
 3916TIP3    H218058  -3.099   3.747  -3.554
 3917TIP3   OH218059  -4.028   3.843  -2.964
 3917TIP3    H118060  -3.996   3.884  -2.883
 3917TIP3    H218061  -4.050   3.753  -2.935
 3918TIP3   OH218062  -3.649   3.586  -4.302
 3918TIP3    H118063  -3.697   3.552  -4.225
 3918TIP3    H218064  -3.721   3.635  -4.348
 3919TIP3   OH218065  -4.335   3.599  -3.606
 3919TIP3    H118066  -4.308   3.577  -3.515
 3919TIP3    H218067  -4.279   3.541  -3.660
 3920TIP3   OH218068  -4.209   3.683  -4.020
 3920TIP3    H118069  -4.151   3.661  -4.094
 3920TIP3    H218070  -4.297   3.671  -4.057
 3921TIP3   OH218071  -3.226   3.997  -3.062
 3921TIP3    H118072  -3.171   3.930  -3.110
 3921TIP3    H218073  -3.251   3.946  -2.983
 3922TIP3   OH218074  -3.490   3.594  -3.557
 3922TIP3    H118075  -3.584   3.590  -3.534
 3922TIP3    H218076  -3.448   3.575  -3.471
 3923TIP3   OH218077  -4.047   3.715  -3.691
 3923TIP3    H118078  -4.111   3.739  -3.760
 3923TIP3    H218079  -4.004   3.636  -3.730
 3924TIP3   OH218080  -3.673   3.755  -3.923
 3924TIP3    H118081  -3.576   3.761  -3.918
 3924TIP3    H218082  -3.697   3.813  -3.997
 3925TIP3   OH218083  -3.052   3.507  -3.255
 3925TIP3    H118084  -3.116   3.508  -3.181
 3925TIP3    H218085  -3.110   3.474  -3.326
 3926TIP3   OH218086  -3.815   3.870  -4.160
 3926TIP3    H118087  -3.870   3.815  -4.219
 3926TIP3    H218088  -3.739   3.887  -4.217
 3927TIP3   OH218089  -3.956   4.306  -2.659
 3927TIP3    H118090  -3.889   4.354  -2.608
 3927TIP3    H218091  -4.035   4.321  -2.602
 3928TIP3   OH218092  -3.391   3.849  -3.376
 3928TIP3    H118093  -3.314   3.808  -3.420
 3928TIP3    H218094  -3.403   3.789  -3.299
 3929TIP3   OH218095  -3.870   3.485  -3.750
 3929TIP3    H118096  -3.915   3.400  -3.751
 3929TIP3    H218097  -3.791   3.465  -3.802
 3930TIP3   OH218098  -3.492   3.693  -3.151
 3930TIP3    H118099  -3.569   3.753  -3.149
 3930TIP3    H218100  -3.442   3.720  -3.072
 3931TIP3   OH218101  -3.513   4.362  -3.941
 3931TIP3    H118102  -3.560   4.295  -3.994
 3931TIP3    H218103  -3.473   4.312  -3.870
 3932TIP3   OH218104  -2.732   4.266  -3.093
 3932TIP3    H118105  -2.705   4.311  -3.175
 3932TIP3    H218106  -2.827   4.256  -3.113
 3933TIP3   OH218107  -3.062   3.610  -4.182
 3933TIP3    H118108  -3.160   3.608  -4.186
 3933TIP3    H218109  -3.042   3.687  -4.125
 3934TIP3   OH218110  -3.001   3.796  -3.984
 3934TIP3    H118111  -2.914   3.776  -3.945
 3934TIP3    H218112  -2.984   3.880  -4.030
 3935TIP3   OH218113  -3.972   4.219  -3.421
 3935TIP3    H118114  -3.889   4.232  -3.470
 3935TIP3    H218115  -3.944   4.162  -3.347
 3936TIP3   OH218116  -4.290   4.105  -2.805
 3936TIP3    H118117  -4.234   4.050  -2.747
 3936TIP3    H218118  -4.295   4.051  -2.887
 3937TIP3   OH218119  -3.542   4.049  -2.651
 3937TIP3    H118120  -3.575   4.027  -2.740
 3937TIP3    H218121  -3.447   4.027  -2.661
 3938TIP3   OH218122  -2.529   3.806  -3.998
 3938TIP3    H118123  -2.591   3.786  -4.071
 3938TIP3    H218124  -2.517   3.900  -4.017
 3939TIP3   OH218125  -2.989   4.182  -3.227
 3939TIP3    H118126  -3.080   4.181  -3.259
 3939TIP3    H218127  -2.941   4.134  -3.296
 3940TIP3   OH218128  -4.153   4.084  -4.160
 3940TIP3    H118129  -4.080   4.145  -4.145
 3940TIP3    H218130  -4.223   4.145  -4.186
 3941TIP3   OH218131  -4.100   3.572  -2.887
 3941TIP3    H118132  -4.186   3.612  -2.910
 3941TIP3    H218133  -4.123   3.487  -2.846
 3942TIP3   OH218134  -3.961  -4.395  -4.009
 3942TIP3    H118135  -4.053  -4.361  -4.014
 3942TIP3    H218136  -3.912  -4.320  -4.046
 3943TIP3   OH218137  -3.211   3.549  -3.035
 3943TIP3    H118138  -3.148   3.576  -2.966
 3943TIP3    H218139  -3.259   3.475  -2.993
 3944TIP3   OH218140  -3.150   3.503  -3.920
 3944TIP3    H118141  -3.119   3.551  -3.999
 3944TIP3    H218142  -3.097   3.544  -3.850
 3945TIP3   OH218143  -3.406   3.696  -3.814
 3945TIP3    H118144  -3.325   3.749  -3.799
 3945TIP3    H218145  -3.434   3.677  -3.723
 3946TIP3   OH218146  -3.367   3.791  -2.897
 3946TIP3    H118147  -3.360   3.840  -2.813
 3946TIP3    H218148  -3.316   3.711  -2.876
 3947TIP3   OH218149  -3.342   3.396  -3.724
 3947TIP3    H118150  -3.362   3.464  -3.657
 3947TIP3    H218151  -3.271   3.439  -3.775
 3948TIP3   OH218152  -3.772   3.496  -4.062
 3948TIP3    H118153  -3.768   3.580  -4.014
 3948TIP3    H218154  -3.688   3.453  -4.037
 3949TIP3   OH218155  -2.741   3.584  -2.809
 3949TIP3    H118156  -2.837   3.597  -2.826
 3949TIP3    H218157  -2.714   3.563  -2.900
 3950TIP3   OH218158  -2.888   3.967  -3.415
 3950TIP3    H118159  -2.972   3.921  -3.434
 3950TIP3    H218160  -2.840   3.900  -3.362
 3951TIP3   OH218161  -4.097   3.823  -4.292
 3951TIP3    H118162  -4.098   3.896  -4.228
 3951TIP3    H218163  -4.185   3.784  -4.282
 3952TIP3   OH218164  -4.028   3.296  -3.373
 3952TIP3    H118165  -4.057   3.293  -3.466
 3952TIP3    H218166  -4.069   3.215  -3.336
 3953TIP3   OH218167  -4.199   4.346  -2.549
 3953TIP3    H118168  -4.194   4.249  -2.546
 3953TIP3    H218169  -4.294   4.361  -2.533
 3954TIP3   OH218170  -3.588   4.329  -2.612
 3954TIP3    H118171  -3.584   4.346  -2.708
 3954TIP3    H218172  -3.551   4.238  -2.608
 3955TIP3   OH218173  -2.985  -4.376  -2.838
 3955TIP3    H118174  -2.905  -4.333  -2.872
 3955TIP3    H218175  -3.052  -4.309  -2.856
 3956TIP3   OH218176  -4.133   4.019  -2.585
 3956TIP3    H118177  -4.052   3.967  -2.597
 3956TIP3    H218178  -4.128   4.039  -2.491
 3957TIP3   OH218179  -3.656   4.156  -4.082
 3957TIP3    H118180  -3.730   4.122  -4.030
 3957TIP3    H218181  -3.641   4.084  -4.146
 3958TIP3   OH218182  -3.748   3.933  -2.854
 3958TIP3    H118183  -3.805   4.010  -2.836
 3958TIP3    H218184  -3.684   3.970  -2.917
 3959TIP3   OH218185  -3.555   3.967  -4.278
 3959TIP3    H118186  -3.549   3.942  -4.371
 3959TIP3    H218187  -3.460   3.969  -4.254
 3960TIP3   OH218188  -3.220   4.215  -2.500
 3960TIP3    H118189  -3.131   4.197  -2.534
 3960TIP3    H218190  -3.251   4.129  -2.473
 3961TIP3   OH218191  -3.692   3.662  -2.741
 3961TIP3    H118192  -3.683   3.597  -2.813
 3961TIP3    H218193  -3.711   3.744  -2.790
 3962TIP3   OH218194  -3.656   3.511  -2.996
 3962TIP3    H118195  -3.604   3.562  -3.061
 3962TIP3    H218196  -3.747   3.514  -3.033
 3963TIP3   OH218197  -3.507   4.066  -2.966
 3963TIP3    H118198  -3.423   4.054  -3.013
 3963TIP3    H218199  -3.541   4.148  -3.007
 3964TIP3   OH218200  -3.043   3.849  -2.478
 3964TIP3    H118201  -3.021   3.755  -2.467
 3964TIP3    H218202  -2.954   3.888  -2.484
 3965TIP3   OH218203  -2.948   4.136  -2.644
 3965TIP3    H118204  -2.971   4.208  -2.707
 3965TIP3    H218205  -2.856   4.118  -2.671
 3966TIP3   OH218206  -3.881   3.854  -2.565
 3966TIP3    H118207  -3.931   3.771  -2.564
 3966TIP3    H218208  -3.798   3.828  -2.607
 3967TIP3   OH218209  -3.586   3.243  -2.961
 3967TIP3    H118210  -3.602   3.338  -2.978
 3967TIP3    H218211  -3.656   3.201  -3.015
 3968TIP3   OH218212  -3.458   3.701  -2.583
 3968TIP3    H118213  -3.492   3.681  -2.494
 3968TIP3    H218214  -3.538   3.681  -2.636
 3969TIP3   OH218215  -3.205   3.607  -2.696
 3969TIP3    H118216  -3.293   3.611  -2.654
 3969TIP3    H218217  -3.159   3.543  -2.638
 3970TIP3   OH218218  -3.021   3.454  -2.524
 3970TIP3    H118219  -3.036   3.359  -2.507
 3970TIP3    H218220  -3.038   3.494  -2.437
 3971TIP3   OH218221  -4.017   3.598  -2.580
 3971TIP3    H118222  -4.016   3.524  -2.644
 3971TIP3    H218223  -4.032   3.551  -2.496
 3972TIP3   OH218224  -3.601   3.192  -2.680
 3972TIP3    H118225  -3.542   3.115  -2.675
 3972TIP3    H218226  -3.604   3.207  -2.777
 3973TIP3   OH218227  -3.507   3.378  -2.494
 3973TIP3    H118228  -3.536   3.319  -2.567
 3973TIP3    H218229  -3.575   3.446  -2.493
 3974TIP3   OH218230  -2.566   4.365  -3.891
 3974TIP3    H118231  -2.472   4.364  -3.911
 3974TIP3    H218232  -2.582   4.278  -3.851
 3975TIP3   OH218233  -2.532   4.131  -3.733
 3975TIP3    H118234  -2.608   4.087  -3.691
 3975TIP3    H218235  -2.473   4.150  -3.657
 3976TIP3   OH218236  -2.514   4.106  -4.106
 3976TIP3    H118237  -2.576   4.139  -4.173
 3976TIP3    H218238  -2.527   4.172  -4.037
 3977TIP3   OH218239  -2.690   3.848  -4.212
 3977TIP3    H118240  -2.663   3.920  -4.271
 3977TIP3    H218241  -2.658   3.770  -4.259
 3978TIP3   OH218242  -2.758   3.966  -3.658
 3978TIP3    H118243  -2.760   3.870  -3.672
 3978TIP3    H218244  -2.793   3.973  -3.566
 3979TIP3   OH218245  -4.264   4.191  -3.274
 3979TIP3    H118246  -4.226   4.188  -3.363
 3979TIP3    H218247  -4.188   4.166  -3.219
 3980TIP3   OH218248  -2.673   4.161  -2.734
 3980TIP3    H118249  -2.600   4.100  -2.710
 3980TIP3    H218250  -2.628   4.244  -2.761
 3981TIP3   OH218251  -2.530   3.965  -2.619
 3981TIP3    H118252  -2.610   3.912  -2.637
 3981TIP3    H218253  -2.461   3.897  -2.616
 3982TIP3   OH218254  -2.768   3.547  -4.323
 3982TIP3    H118255  -2.708   3.502  -4.261
 3982TIP3    H218256  -2.849   3.493  -4.320
 3983TIP3   OH218257  -2.766   3.710  -3.836
 3983TIP3    H118258  -2.740   3.615  -3.828
 3983TIP3    H218259  -2.685   3.747  -3.873
 3984TIP3   OH218260  -2.737   3.768  -3.289
 3984TIP3    H118261  -2.639   3.779  -3.291
 3984TIP3    H218262  -2.751   3.771  -3.193
 3985TIP3   OH218263  -2.720   3.838  -3.005
 3985TIP3    H118264  -2.806   3.876  -2.982
 3985TIP3    H218265  -2.668   3.917  -3.030
 3986TIP3   OH218266  -4.288   3.706  -2.654
 3986TIP3    H118267  -4.199   3.669  -2.645
 3986TIP3    H218268  -4.346   3.634  -2.626
 3987TIP3   OH218269  -2.465   3.251  -2.478
 3987TIP3    H118270  -2.422   3.184  -2.534
 3987TIP3    H218271  -2.462   3.330  -2.536
 3988TIP3   OH218272  -2.716   3.434  -3.831
 3988TIP3    H118273  -2.701   3.397  -3.742
 3988TIP3    H218274  -2.790   3.380  -3.862
 3989TIP3   OH218275  -4.197   3.555  -3.324
 3989TIP3    H118276  -4.160   3.466  -3.332
 3989TIP3    H218277  -4.117   3.609  -3.314
 3990TIP3   OH218278  -4.357   3.826  -3.264
 3990TIP3    H118279  -4.312   3.765  -3.324
 3990TIP3    H218280  -4.306   3.907  -3.279
 3991TIP3   OH218281  -2.526   3.457  -2.653
 3991TIP3    H118282  -2.614   3.500  -2.649
 3991TIP3    H218283  -2.537   3.403  -2.733
 3992TIP3   OH218284  -2.513   3.472  -4.176
 3992TIP3    H118285  -2.485   3.401  -4.233
 3992TIP3    H218286  -2.431   3.523  -4.167
 3993TIP3   OH218287  -4.313   3.437  -3.873
 3993TIP3    H118288  -4.386   3.436  -3.937
 3993TIP3    H218289  -4.241   3.461  -3.934
 3994TIP3   OH218290  -4.290   3.330  -3.056
 3994TIP3    H118291  -4.358   3.319  -2.986
 3994TIP3    H218292  -4.337   3.372  -3.129
 3995TIP3   OH218293  -2.640   3.280  -2.854
 3995TIP3    H118294  -2.720   3.301  -2.907
 3995TIP3    H218295  -2.618   3.191  -2.888
 3996TIP3   OH218296  -3.297   3.430  -3.409
 3996TIP3    H118297  -3.366   3.362  -3.395
 3996TIP3    H218298  -3.236   3.384  -3.469
 3997TIP3   OH218299  -2.802   3.232  -3.363
 3997TIP3    H118300  -2.726   3.276  -3.403
 3997TIP3    H218301  -2.876   3.263  -3.418
 3998TIP3   OH218302  -2.595   3.342  -3.578
 3998TIP3    H118303  -2.522   3.300  -3.626
 3998TIP3    H218304  -2.562   3.434  -3.567
 3999TIP3   OH218305  -4.106   3.286  -3.649
 3999TIP3    H118306  -4.176   3.271  -3.713
 3999TIP3    H218307  -4.046   3.211  -3.666
 4000TIP3   OH218308  -3.614   3.282  -3.665
 4000TIP3    H118309  -3.523   3.314  -3.679
 4000TIP3    H218310  -3.616   3.275  -3.569
 4001TIP3   OH218311  -3.054   3.288  -3.524
 4001TIP3    H118312  -3.030   3.274  -3.617
 4001TIP3    H218313  -3.093   3.202  -3.500
 4002TIP3   OH218314  -2.950   3.286  -3.919
 4002TIP3    H118315  -3.028   3.334  -3.952
 4002TIP3    H218316  -2.983   3.195  -3.918
 4003TIP3   OH218317  -3.976   3.463  -4.267
 4003TIP3    H118318  -3.991   3.368  -4.275
 4003TIP3    H218319  -3.946   3.471  -4.176
 4004TIP3   OH218320  -3.504   3.447  -3.959
 4004TIP3    H118321  -3.464   3.394  -3.889
 4004TIP3    H218322  -3.478   3.536  -3.929
 4005TIP3   OH218323  -4.079   3.327  -2.703
 4005TIP3    H118324  -4.124   3.251  -2.662
 4005TIP3    H218325  -3.988   3.312  -2.673
 4006TIP3   OH218326  -3.844   3.264  -2.527
 4006TIP3    H118327  -3.762   3.229  -2.567
 4006TIP3    H218328  -3.878   3.185  -2.482
 4007TIP3   OH218329  -3.031   3.174  -2.510
 4007TIP3    H118330  -3.026   3.133  -2.421
 4007TIP3    H218331  -2.937   3.171  -2.537
 4008TIP3   OH218332  -1.272   4.204  -3.647
 4008TIP3    H118333  -1.304   4.295  -3.646
 4008TIP3    H218334  -1.345   4.160  -3.692
 4009TIP3   OH218335  -1.393   4.132  -3.317
 4009TIP3    H118336  -1.390   4.080  -3.236
 4009TIP3    H218337  -1.418   4.067  -3.383
 4010TIP3   OH218338  -2.149   4.083  -3.156
 4010TIP3    H118339  -2.151   4.007  -3.095
 4010TIP3    H218340  -2.074   4.132  -3.120
 4011TIP3   OH218341  -2.378   3.885  -3.762
 4011TIP3    H118342  -2.422   3.972  -3.755
 4011TIP3    H218343  -2.445   3.833  -3.807
 4012TIP3   OH218344  -2.285   4.135  -3.578
 4012TIP3    H118345  -2.285   4.055  -3.522
 4012TIP3    H218346  -2.204   4.119  -3.628
 4013TIP3   OH218347  -0.672   3.521  -3.198
 4013TIP3    H118348  -0.651   3.585  -3.129
 4013TIP3    H218349  -0.613   3.552  -3.270
 4014TIP3   OH218350  -1.208   3.804  -3.212
 4014TIP3    H118351  -1.198   3.708  -3.206
 4014TIP3    H218352  -1.221   3.817  -3.307
 4015TIP3   OH218353  -1.916   3.606  -3.504
 4015TIP3    H118354  -1.899   3.690  -3.551
 4015TIP3    H218355  -1.947   3.551  -3.578
 4016TIP3   OH218356  -1.130   3.621  -3.676
 4016TIP3    H118357  -1.074   3.576  -3.608
 4016TIP3    H218358  -1.062   3.665  -3.729
 4017TIP3   OH218359  -2.246   3.877  -3.453
 4017TIP3    H118360  -2.182   3.831  -3.397
 4017TIP3    H218361  -2.236   3.829  -3.537
 4018TIP3   OH218362  -1.704   4.018  -3.506
 4018TIP3    H118363  -1.636   3.960  -3.466
 4018TIP3    H218364  -1.758   3.954  -3.555
 4019TIP3   OH218365  -0.600   3.661  -2.950
 4019TIP3    H118366  -0.658   3.732  -2.981
 4019TIP3    H218367  -0.627   3.656  -2.857
 4020TIP3   OH218368  -2.034   3.484  -3.088
 4020TIP3    H118369  -2.075   3.533  -3.161
 4020TIP3    H218370  -2.099   3.500  -3.017
 4021TIP3   OH218371  -1.763   4.267  -3.111
 4021TIP3    H118372  -1.844   4.320  -3.106
 4021TIP3    H218373  -1.697   4.338  -3.117
 4022TIP3   OH218374  -0.943   3.545  -3.470
 4022TIP3    H118375  -0.988   3.488  -3.407
 4022TIP3    H218376  -0.896   3.607  -3.412
 4023TIP3   OH218377  -2.074   3.690  -3.295
 4023TIP3    H118378  -2.008   3.745  -3.248
 4023TIP3    H218379  -2.017   3.652  -3.366
 4024TIP3   OH218380  -0.933   3.463  -3.085
 4024TIP3    H118381  -1.010   3.501  -3.129
 4024TIP3    H218382  -0.861   3.480  -3.149
 4025TIP3   OH218383  -1.611   3.233  -3.368
 4025TIP3    H118384  -1.637   3.143  -3.393
 4025TIP3    H218385  -1.698   3.272  -3.345
 4026TIP3   OH218386  -1.417   4.142  -3.909
 4026TIP3    H118387  -1.483   4.179  -3.969
 4026TIP3    H218388  -1.341   4.134  -3.968
 4027TIP3   OH218389  -1.380   3.948  -4.206
 4027TIP3    H118390  -1.307   3.976  -4.149
 4027TIP3    H218391  -1.335   3.886  -4.267
 4028TIP3   OH218392  -0.669   4.055  -3.081
 4028TIP3    H118393  -0.734   4.127  -3.068
 4028TIP3    H218394  -0.618   4.095  -3.155
 4029TIP3   OH218395  -1.051   4.140  -3.807
 4029TIP3    H118396  -1.117   4.161  -3.738
 4029TIP3    H218397  -0.985   4.089  -3.757
 4030TIP3   OH218398  -1.076   3.981  -2.912
 4030TIP3    H118399  -1.075   4.058  -2.853
 4030TIP3    H218400  -1.135   4.016  -2.982
 4031TIP3   OH218401  -1.898   4.207  -3.611
 4031TIP3    H118402  -1.918   4.179  -3.702
 4031TIP3    H218403  -1.820   4.153  -3.591
 4032TIP3   OH218404  -1.847   4.070  -3.271
 4032TIP3    H118405  -1.787   4.073  -3.348
 4032TIP3    H218406  -1.812   4.143  -3.215
 4033TIP3   OH218407  -1.151   4.075  -4.056
 4033TIP3    H118408  -1.102   4.101  -3.975
 4033TIP3    H218409  -1.091   4.109  -4.126
 4034TIP3   OH218410  -2.059   4.149  -2.886
 4034TIP3    H118411  -2.047   4.212  -2.810
 4034TIP3    H218412  -2.155   4.138  -2.885
 4035TIP3   OH218413  -0.807   3.237  -4.075
 4035TIP3    H118414  -0.903   3.245  -4.059
 4035TIP3    H218415  -0.785   3.327  -4.101
 4036TIP3   OH218416  -2.010   4.088  -3.860
 4036TIP3    H118417  -2.029   4.166  -3.916
 4036TIP3    H218418  -2.073   4.023  -3.894
 4037TIP3   OH218419  -2.417   4.309  -2.982
 4037TIP3    H118420  -2.412   4.292  -3.078
 4037TIP3    H218421  -2.381   4.226  -2.945
 4038TIP3   OH218422  -0.877   3.838  -2.679
 4038TIP3    H118423  -0.931   3.875  -2.750
 4038TIP3    H218424  -0.874   3.744  -2.705
 4039TIP3   OH218425  -1.863   3.347  -3.286
 4039TIP3    H118426  -1.941   3.343  -3.343
 4039TIP3    H218427  -1.888   3.421  -3.228
 4040TIP3   OH218428  -1.425   3.308  -2.924
 4040TIP3    H118429  -1.373   3.255  -2.861
 4040TIP3    H218430  -1.516   3.273  -2.913
 4041TIP3   OH218431  -1.106   3.686  -2.870
 4041TIP3    H118432  -1.170   3.670  -2.798
 4041TIP3    H218433  -1.118   3.780  -2.889
 4042TIP3   OH218434  -0.948   4.145  -4.252
 4042TIP3    H118435  -0.992   4.166  -4.337
 4042TIP3    H218436  -0.902   4.230  -4.234
 4043TIP3   OH218437  -1.440   3.543  -4.216
 4043TIP3    H118438  -1.497   3.555  -4.139
 4043TIP3    H218439  -1.484   3.469  -4.259
 4044TIP3   OH218440  -1.876   3.824  -3.146
 4044TIP3    H118441  -1.935   3.838  -3.070
 4044TIP3    H218442  -1.868   3.915  -3.183
 4045TIP3   OH218443  -1.882   3.836  -3.661
 4045TIP3    H118444  -1.977   3.825  -3.677
 4045TIP3    H218445  -1.847   3.816  -3.750
 4046TIP3   OH218446  -1.311   3.898  -3.784
 4046TIP3    H118447  -1.360   3.972  -3.822
 4046TIP3    H218448  -1.251   3.872  -3.857
 4047TIP3   OH218449  -1.402   3.920  -2.639
 4047TIP3    H118450  -1.452   3.843  -2.607
 4047TIP3    H218451  -1.313   3.904  -2.601
 4048TIP3   OH218452  -1.235   3.830  -3.507
 4048TIP3    H118453  -1.262   3.885  -3.584
 4048TIP3    H218454  -1.214   3.747  -3.553
 4049TIP3   OH218455  -2.140   3.842  -2.968
 4049TIP3    H118456  -2.113   3.877  -2.882
 4049TIP3    H218457  -2.173   3.754  -2.944
 4050TIP3   OH218458  -1.772   3.579  -4.314
 4050TIP3    H118459  -1.806   3.560  -4.224
 4050TIP3    H218460  -1.844   3.632  -4.352
 4051TIP3   OH218461  -2.458   3.590  -3.601
 4051TIP3    H118462  -2.396   3.588  -3.525
 4051TIP3    H218463  -2.406   3.551  -3.673
 4052TIP3   OH218464  -2.301   3.633  -4.040
 4052TIP3    H118465  -2.243   3.682  -4.102
 4052TIP3    H218466  -2.367   3.701  -4.018
 4053TIP3   OH218467  -1.337   3.997  -3.060
 4053TIP3    H118468  -1.285   3.929  -3.109
 4053TIP3    H218469  -1.368   3.944  -2.985
 4054TIP3   OH218470  -1.603   3.600  -3.558
 4054TIP3    H118471  -1.697   3.583  -3.539
 4054TIP3    H218472  -1.561   3.569  -3.477
 4055TIP3   OH218473  -2.148   3.715  -3.690
 4055TIP3    H118474  -2.229   3.740  -3.737
 4055TIP3    H218475  -2.118   3.636  -3.738
 4056TIP3   OH218476  -1.787   3.759  -3.920
 4056TIP3    H118477  -1.690   3.759  -3.917
 4056TIP3    H218478  -1.808   3.813  -3.998
 4057TIP3   OH218479  -1.167   3.507  -3.257
 4057TIP3    H118480  -1.231   3.508  -3.182
 4057TIP3    H218481  -1.225   3.473  -3.327
 4058TIP3   OH218482  -1.928   3.868  -4.158
 4058TIP3    H118483  -1.992   3.822  -4.216
 4058TIP3    H218484  -1.855   3.889  -4.218
 4059TIP3   OH218485  -2.047   4.317  -2.678
 4059TIP3    H118486  -1.990   4.363  -2.613
 4059TIP3    H218487  -2.128   4.304  -2.624
 4060TIP3   OH218488  -1.503   3.851  -3.373
 4060TIP3    H118489  -1.433   3.805  -3.421
 4060TIP3    H218490  -1.520   3.789  -3.300
 4061TIP3   OH218491  -1.975   3.487  -3.766
 4061TIP3    H118492  -2.026   3.408  -3.744
 4061TIP3    H218493  -1.888   3.450  -3.787
 4062TIP3   OH218494  -1.605   3.695  -3.151
 4062TIP3    H118495  -1.684   3.752  -3.149
 4062TIP3    H218496  -1.556   3.721  -3.071
 4063TIP3   OH218497  -1.631   4.364  -3.939
 4063TIP3    H118498  -1.674   4.296  -3.995
 4063TIP3    H218499  -1.584   4.313  -3.872
 4064TIP3   OH218500  -0.846   4.267  -3.093
 4064TIP3    H118501  -0.820   4.311  -3.176
 4064TIP3    H218502  -0.941   4.256  -3.112
 4065TIP3   OH218503  -1.172   3.619  -4.208
 4065TIP3    H118504  -1.268   3.602  -4.194
 4065TIP3    H218505  -1.149   3.681  -4.137
 4066TIP3   OH218506  -1.115   3.789  -3.991
 4066TIP3    H118507  -1.029   3.774  -3.946
 4066TIP3    H218508  -1.101   3.878  -4.030
 4067TIP3   OH218509  -2.052   4.248  -3.392
 4067TIP3    H118510  -1.991   4.239  -3.468
 4067TIP3    H218511  -2.038   4.163  -3.347
 4068TIP3   OH218512  -2.345   4.081  -2.855
 4068TIP3    H118513  -2.334   4.043  -2.766
 4068TIP3    H218514  -2.418   4.030  -2.893
 4069TIP3   OH218515  -1.656   4.051  -2.653
 4069TIP3    H118516  -1.689   4.027  -2.740
 4069TIP3    H218517  -1.562   4.027  -2.661
 4070TIP3   OH218518  -0.644   3.805  -3.999
 4070TIP3    H118519  -0.707   3.787  -4.072
 4070TIP3    H218520  -0.631   3.900  -4.017
 4071TIP3   OH218521  -1.103   4.184  -3.228
 4071TIP3    H118522  -1.195   4.181  -3.258
 4071TIP3    H218523  -1.056   4.133  -3.296
 4072TIP3   OH218524  -2.234   4.084  -4.196
 4072TIP3    H118525  -2.179   4.154  -4.157
 4072TIP3    H218526  -2.324   4.111  -4.171
 4073TIP3   OH218527  -2.222   3.566  -2.889
 4073TIP3    H118528  -2.312   3.589  -2.917
 4073TIP3    H218529  -2.235   3.478  -2.849
 4074TIP3   OH218530  -2.077  -4.393  -4.009
 4074TIP3    H118531  -2.167  -4.356  -4.005
 4074TIP3    H218532  -2.027  -4.318  -4.043
 4075TIP3   OH218533  -1.324   3.549  -3.036
 4075TIP3    H118534  -1.264   3.575  -2.964
 4075TIP3    H218535  -1.374   3.475  -2.995
 4076TIP3   OH218536  -1.258   3.502  -3.924
 4076TIP3    H118537  -1.233   3.565  -3.993
 4076TIP3    H218538  -1.217   3.543  -3.845
 4077TIP3   OH218539  -1.519   3.694  -3.815
 4077TIP3    H118540  -1.439   3.747  -3.796
 4077TIP3    H218541  -1.550   3.672  -3.724
 4078TIP3   OH218542  -1.476   3.794  -2.898
 4078TIP3    H118543  -1.475   3.840  -2.813
 4078TIP3    H218544  -1.433   3.710  -2.875
 4079TIP3   OH218545  -1.452   3.380  -3.722
 4079TIP3    H118546  -1.478   3.450  -3.660
 4079TIP3    H218547  -1.386   3.423  -3.779
 4080TIP3   OH218548  -1.886   3.502  -4.079
 4080TIP3    H118549  -1.895   3.572  -4.012
 4080TIP3    H218550  -1.812   3.451  -4.042
 4081TIP3   OH218551  -0.854   3.583  -2.811
 4081TIP3    H118552  -0.950   3.597  -2.823
 4081TIP3    H218553  -0.831   3.562  -2.903
 4082TIP3   OH218554  -1.002   3.967  -3.415
 4082TIP3    H118555  -1.086   3.923  -3.434
 4082TIP3    H218556  -0.955   3.899  -3.362
 4083TIP3   OH218557  -2.222   3.806  -4.259
 4083TIP3    H118558  -2.210   3.901  -4.241
 4083TIP3    H218559  -2.314   3.805  -4.291
 4084TIP3   OH218560  -2.146   3.306  -3.371
 4084TIP3    H118561  -2.156   3.300  -3.468
 4084TIP3    H218562  -2.175   3.218  -3.341
 4085TIP3   OH218563  -2.292   4.307  -2.566
 4085TIP3    H118564  -2.312   4.212  -2.560
 4085TIP3    H218565  -2.375   4.348  -2.593
 4086TIP3   OH218566  -1.701   4.329  -2.611
 4086TIP3    H118567  -1.699   4.345  -2.708
 4086TIP3    H218568  -1.667   4.238  -2.607
 4087TIP3   OH218569  -1.099  -4.376  -2.838
 4087TIP3    H118570  -1.020  -4.332  -2.872
 4087TIP3    H218571  -1.168  -4.311  -2.857
 4088TIP3   OH218572  -2.234   4.023  -2.593
 4088TIP3    H118573  -2.155   3.966  -2.600
 4088TIP3    H218574  -2.232   4.044  -2.498
 4089TIP3   OH218575  -1.771   4.155  -4.082
 4089TIP3    H118576  -1.843   4.120  -4.028
 4089TIP3    H218577  -1.758   4.084  -4.147
 4090TIP3   OH218578  -1.861   3.933  -2.855
 4090TIP3    H118579  -1.917   4.010  -2.835
 4090TIP3    H218580  -1.797   3.971  -2.918
 4091TIP3   OH218581  -1.665   3.955  -4.274
 4091TIP3    H118582  -1.670   3.954  -4.370
 4091TIP3    H218583  -1.569   3.966  -4.259
 4092TIP3   OH218584  -1.332   4.216  -2.500
 4092TIP3    H118585  -1.245   4.193  -2.534
 4092TIP3    H218586  -1.367   4.131  -2.471
 4093TIP3   OH218587  -1.808   3.663  -2.743
 4093TIP3    H118588  -1.799   3.597  -2.815
 4093TIP3    H218589  -1.827   3.744  -2.793
 4094TIP3   OH218590  -1.771   3.511  -2.997
 4094TIP3    H118591  -1.719   3.561  -3.062
 4094TIP3    H218592  -1.862   3.514  -3.034
 4095TIP3   OH218593  -1.622   4.067  -2.967
 4095TIP3    H118594  -1.538   4.054  -3.013
 4095TIP3    H218595  -1.656   4.148  -3.007
 4096TIP3   OH218596  -1.157   3.850  -2.482
 4096TIP3    H118597  -1.141   3.756  -2.460
 4096TIP3    H218598  -1.066   3.884  -2.483
 4097TIP3   OH218599  -1.062   4.137  -2.642
 4097TIP3    H118600  -1.086   4.208  -2.707
 4097TIP3    H218601  -0.972   4.116  -2.673
 4098TIP3   OH218602  -1.993   3.853  -2.568
 4098TIP3    H118603  -2.040   3.768  -2.562
 4098TIP3    H218604  -1.907   3.825  -2.602
 4099TIP3   OH218605  -1.699   3.244  -2.960
 4099TIP3    H118606  -1.716   3.339  -2.978
 4099TIP3    H218607  -1.768   3.202  -3.016
 4100TIP3   OH218608  -1.573   3.701  -2.587
 4100TIP3    H118609  -1.603   3.676  -2.498
 4100TIP3    H218610  -1.655   3.678  -2.637
 4101TIP3   OH218611  -1.319   3.607  -2.696
 4101TIP3    H118612  -1.408   3.613  -2.655
 4101TIP3    H218613  -1.275   3.543  -2.637
 4102TIP3   OH218614  -1.127   3.451  -2.520
 4102TIP3    H118615  -1.153   3.358  -2.505
 4102TIP3    H218616  -1.155   3.496  -2.438
 4103TIP3   OH218617  -2.119   3.594  -2.576
 4103TIP3    H118618  -2.124   3.523  -2.643
 4103TIP3    H218619  -2.139   3.545  -2.494
 4104TIP3   OH218620  -1.720   3.192  -2.679
 4104TIP3    H118621  -1.656   3.120  -2.674
 4104TIP3    H218622  -1.718   3.212  -2.774
 4105TIP3   OH218623  -1.612   3.380  -2.486
 4105TIP3    H118624  -1.650   3.310  -2.542
 4105TIP3    H218625  -1.690   3.428  -2.457
 4106TIP3   OH218626  -0.680   4.369  -3.885
 4106TIP3    H118627  -0.588   4.364  -3.913
 4106TIP3    H218628  -0.698   4.279  -3.853
 4107TIP3   OH218629  -0.645   4.128  -3.733
 4107TIP3    H118630  -0.723   4.086  -3.691
 4107TIP3    H218631  -0.588   4.150  -3.657
 4108TIP3   OH218632  -0.630   4.104  -4.106
 4108TIP3    H118633  -0.692   4.137  -4.173
 4108TIP3    H218634  -0.641   4.171  -4.038
 4109TIP3   OH218635  -0.807   3.843  -4.216
 4109TIP3    H118636  -0.781   3.921  -4.268
 4109TIP3    H218637  -0.764   3.772  -4.265
 4110TIP3   OH218638  -0.872   3.965  -3.657
 4110TIP3    H118639  -0.875   3.869  -3.671
 4110TIP3    H218640  -0.908   3.973  -3.566
 4111TIP3   OH218641  -2.384   4.189  -3.259
 4111TIP3    H118642  -2.375   4.201  -3.355
 4111TIP3    H218643  -2.294   4.160  -3.234
 4112TIP3   OH218644  -0.786   4.161  -2.736
 4112TIP3    H118645  -0.714   4.100  -2.710
 4112TIP3    H218646  -0.740   4.244  -2.760
 4113TIP3   OH218647  -0.643   3.965  -2.621
 4113TIP3    H118648  -0.725   3.914  -2.638
 4113TIP3    H218649  -0.576   3.895  -2.616
 4114TIP3   OH218650  -0.884   3.528  -4.334
 4114TIP3    H118651  -0.822   3.507  -4.264
 4114TIP3    H218652  -0.969   3.495  -4.302
 4115TIP3   OH218653  -0.881   3.709  -3.836
 4115TIP3    H118654  -0.854   3.615  -3.828
 4115TIP3    H218655  -0.799   3.748  -3.873
 4116TIP3   OH218656  -0.850   3.766  -3.289
 4116TIP3    H118657  -0.753   3.780  -3.290
 4116TIP3    H218658  -0.867   3.771  -3.193
 4117TIP3   OH218659  -0.833   3.837  -3.007
 4117TIP3    H118660  -0.920   3.874  -2.981
 4117TIP3    H218661  -0.783   3.918  -3.030
 4118TIP3   OH218662  -2.387   3.716  -2.639
 4118TIP3    H118663  -2.293   3.691  -2.636
 4118TIP3    H218664  -2.430   3.628  -2.632
 4119TIP3   OH218665  -0.574   3.254  -2.476
 4119TIP3    H118666  -0.539   3.184  -2.534
 4119TIP3    H218667  -0.576   3.331  -2.536
 4120TIP3   OH218668  -0.828   3.433  -3.831
 4120TIP3    H118669  -0.821   3.398  -3.740
 4120TIP3    H218670  -0.904   3.380  -3.865
 4121TIP3   OH218671  -2.309   3.547  -3.358
 4121TIP3    H118672  -2.263   3.461  -3.353
 4121TIP3    H218673  -2.239   3.607  -3.325
 4122TIP3   OH218674  -2.455   3.816  -3.254
 4122TIP3    H118675  -2.394   3.810  -3.329
 4122TIP3    H218676  -2.420   3.893  -3.208
 4123TIP3   OH218677  -0.641   3.456  -2.653
 4123TIP3    H118678  -0.728   3.500  -2.647
 4123TIP3    H218679  -0.654   3.403  -2.733
 4124TIP3   OH218680  -0.628   3.474  -4.177
 4124TIP3    H118681  -0.598   3.403  -4.233
 4124TIP3    H218682  -0.546   3.526  -4.166
 4125TIP3   OH218683  -2.404   3.450  -3.852
 4125TIP3    H118684  -2.499   3.452  -3.872
 4125TIP3    H218685  -2.366   3.509  -3.920
 4126TIP3   OH218686  -2.400   3.338  -3.033
 4126TIP3    H118687  -2.471   3.310  -2.974
 4126TIP3    H218688  -2.449   3.389  -3.100
 4127TIP3   OH218689  -0.752   3.281  -2.856
 4127TIP3    H118690  -0.834   3.302  -2.905
 4127TIP3    H218691  -0.733   3.191  -2.889
 4128TIP3   OH218692  -1.410   3.430  -3.413
 4128TIP3    H118693  -1.479   3.363  -3.395
 4128TIP3    H218694  -1.353   3.381  -3.475
 4129TIP3   OH218695  -0.916   3.230  -3.363
 4129TIP3    H118696  -0.843   3.278  -3.405
 4129TIP3    H218697  -0.993   3.259  -3.415
 4130TIP3   OH218698  -0.706   3.340  -3.575
 4130TIP3    H118699  -0.635   3.305  -3.631
 4130TIP3    H218700  -0.678   3.434  -3.565
 4131TIP3   OH218701  -2.170   3.292  -3.652
 4131TIP3    H118702  -2.255   3.276  -3.696
 4131TIP3    H218703  -2.122   3.209  -3.671
 4132TIP3   OH218704  -2.300   3.258  -4.083
 4132TIP3    H118705  -2.239   3.321  -4.126
 4132TIP3    H218706  -2.330   3.309  -4.006
 4133TIP3   OH218707  -1.736   3.307  -3.665
 4133TIP3    H118708  -1.644   3.292  -3.691
 4133TIP3    H218709  -1.747   3.240  -3.597
 4134TIP3   OH218710  -1.161   3.287  -3.521
 4134TIP3    H118711  -1.154   3.271  -3.616
 4134TIP3    H218712  -1.207   3.205  -3.491
 4135TIP3   OH218713  -1.063   3.285  -3.924
 4135TIP3    H118714  -1.143   3.336  -3.947
 4135TIP3    H218715  -1.102   3.197  -3.911
 4136TIP3   OH218716  -2.130   3.427  -4.230
 4136TIP3    H118717  -2.072   3.371  -4.282
 4136TIP3    H218718  -2.065   3.480  -4.180
 4137TIP3   OH218719  -1.619   3.445  -3.964
 4137TIP3    H118720  -1.578   3.383  -3.902
 4137TIP3    H218721  -1.594   3.530  -3.924
 4138TIP3   OH218722  -2.197   3.323  -2.702
 4138TIP3    H118723  -2.235   3.242  -2.665
 4138TIP3    H218724  -2.104   3.313  -2.674
 4139TIP3   OH218725  -1.965   3.263  -2.530
 4139TIP3    H118726  -1.878   3.237  -2.567
 4139TIP3    H218727  -1.992   3.181  -2.487
 4140TIP3   OH218728  -1.146   3.170  -2.510
 4140TIP3    H118729  -1.143   3.136  -2.419
 4140TIP3    H218730  -1.052   3.171  -2.534
 4141TIP3   OH218731  -0.264   4.083  -3.155
 4141TIP3    H118732  -0.264   4.008  -3.094
 4141TIP3    H218733  -0.186   4.131  -3.125
 4142TIP3   OH218734  -0.492   3.884  -3.763
 4142TIP3    H118735  -0.534   3.971  -3.754
 4142TIP3    H218736  -0.561   3.834  -3.807
 4143TIP3   OH218737  -0.399   4.136  -3.577
 4143TIP3    H118738  -0.399   4.055  -3.522
 4143TIP3    H218739  -0.316   4.123  -3.626
 4144TIP3   OH218740   1.216   3.518  -3.196
 4144TIP3    H118741   1.235   3.586  -3.129
 4144TIP3    H218742   1.270   3.552  -3.270
 4145TIP3   OH218743   0.678   3.801  -3.231
 4145TIP3    H118744   0.686   3.704  -3.241
 4145TIP3    H218745   0.642   3.828  -3.316
 4146TIP3   OH218746  -0.029   3.604  -3.505
 4146TIP3    H118747  -0.013   3.691  -3.548
 4146TIP3    H218748  -0.065   3.555  -3.580
 4147TIP3   OH218749   0.746   3.614  -3.672
 4147TIP3    H118750   0.807   3.591  -3.600
 4147TIP3    H218751   0.787   3.693  -3.708
 4148TIP3   OH218752  -0.362   3.877  -3.453
 4148TIP3    H118753  -0.297   3.832  -3.397
 4148TIP3    H218754  -0.351   3.829  -3.537
 4149TIP3   OH218755   0.177   4.018  -3.495
 4149TIP3    H118756   0.260   3.972  -3.471
 4149TIP3    H218757   0.132   3.951  -3.550
 4150TIP3   OH218758   1.285   3.661  -2.949
 4150TIP3    H118759   1.228   3.733  -2.981
 4150TIP3    H218760   1.259   3.658  -2.856
 4151TIP3   OH218761  -0.150   3.483  -3.088
 4151TIP3    H118762  -0.188   3.536  -3.160
 4151TIP3    H218763  -0.215   3.500  -3.017
 4152TIP3   OH218764   0.112   4.276  -3.101
 4152TIP3    H118765   0.037   4.334  -3.120
 4152TIP3    H218766   0.185   4.330  -3.136
 4153TIP3   OH218767   0.945   3.543  -3.469
 4153TIP3    H118768   0.895   3.491  -3.404
 4153TIP3    H218769   0.989   3.609  -3.414
 4154TIP3   OH218770  -0.188   3.688  -3.294
 4154TIP3    H118771  -0.123   3.746  -3.248
 4154TIP3    H218772  -0.130   3.653  -3.366
 4155TIP3   OH218773   0.953   3.461  -3.085
 4155TIP3    H118774   0.876   3.502  -3.129
 4155TIP3    H218775   1.025   3.481  -3.148
 4156TIP3   OH218776   0.266   3.233  -3.381
 4156TIP3    H118777   0.242   3.139  -3.385
 4156TIP3    H218778   0.184   3.272  -3.343
 4157TIP3   OH218779   0.466   4.123  -3.910
 4157TIP3    H118780   0.412   4.194  -3.947
 4157TIP3    H218781   0.551   4.136  -3.953
 4158TIP3   OH218782   0.499   3.952  -4.209
 4158TIP3    H118783   0.562   3.981  -4.140
 4158TIP3    H218784   0.556   3.890  -4.260
 4159TIP3   OH218785   1.217   4.056  -3.081
 4159TIP3    H118786   1.150   4.127  -3.068
 4159TIP3    H218787   1.266   4.096  -3.156
 4160TIP3   OH218788   0.807   4.151  -3.793
 4160TIP3    H118789   0.742   4.162  -3.720
 4160TIP3    H218790   0.874   4.098  -3.747
 4161TIP3   OH218791   0.803   3.982  -2.915
 4161TIP3    H118792   0.807   4.062  -2.861
 4161TIP3    H218793   0.750   4.017  -2.990
 4162TIP3   OH218794  -0.024   4.198  -3.609
 4162TIP3    H118795  -0.032   4.179  -3.704
 4162TIP3    H218796   0.064   4.159  -3.589
 4163TIP3   OH218797   0.038   4.073  -3.264
 4163TIP3    H118798   0.096   4.070  -3.343
 4163TIP3    H218799   0.076   4.145  -3.211
 4164TIP3   OH218800   0.739   4.070  -4.053
 4164TIP3    H118801   0.778   4.106  -3.970
 4164TIP3    H218802   0.799   4.108  -4.121
 4165TIP3   OH218803  -0.173   4.145  -2.882
 4165TIP3    H118804  -0.161   4.210  -2.809
 4165TIP3    H218805  -0.270   4.139  -2.885
 4166TIP3   OH218806   1.078   3.236  -4.076
 4166TIP3    H118807   0.983   3.247  -4.056
 4166TIP3    H218808   1.101   3.326  -4.103
 4167TIP3   OH218809  -0.124   4.084  -3.864
 4167TIP3    H118810  -0.142   4.165  -3.918
 4167TIP3    H218811  -0.191   4.024  -3.896
 4168TIP3   OH218812  -0.528   4.310  -2.982
 4168TIP3    H118813  -0.527   4.292  -3.077
 4168TIP3    H218814  -0.495   4.226  -2.945
 4169TIP3   OH218815   1.004   3.837  -2.677
 4169TIP3    H118816   0.958   3.877  -2.753
 4169TIP3    H218817   1.012   3.744  -2.708
 4170TIP3   OH218818   0.024   3.346  -3.288
 4170TIP3    H118819  -0.059   3.342  -3.339
 4170TIP3    H218820   0.005   3.423  -3.232
 4171TIP3   OH218821   0.461   3.306  -2.923
 4171TIP3    H118822   0.513   3.252  -2.861
 4171TIP3    H218823   0.370   3.273  -2.912
 4172TIP3   OH218824   0.780   3.685  -2.869
 4172TIP3    H118825   0.714   3.671  -2.799
 4172TIP3    H218826   0.768   3.780  -2.893
 4173TIP3   OH218827   0.936   4.145  -4.254
 4173TIP3    H118828   0.914   4.157  -4.347
 4173TIP3    H218829   0.979   4.230  -4.233
 4174TIP3   OH218830   0.443   3.544  -4.217
 4174TIP3    H118831   0.386   3.555  -4.139
 4174TIP3    H218832   0.397   3.474  -4.264
 4175TIP3   OH218833   0.008   3.825  -3.146
 4175TIP3    H118834  -0.052   3.840  -3.071
 4175TIP3    H218835   0.020   3.915  -3.182
 4176TIP3   OH218836   0.004   3.830  -3.660
 4176TIP3    H118837  -0.092   3.826  -3.678
 4176TIP3    H218838   0.040   3.818  -3.749
 4177TIP3   OH218839   0.570   3.871  -3.786
 4177TIP3    H118840   0.541   3.963  -3.778
 4177TIP3    H218841   0.635   3.876  -3.859
 4178TIP3   OH218842   0.484   3.923  -2.633
 4178TIP3    H118843   0.433   3.844  -2.608
 4178TIP3    H218844   0.573   3.902  -2.600
 4179TIP3   OH218845  -0.251   3.841  -2.969
 4179TIP3    H118846  -0.231   3.880  -2.883
 4179TIP3    H218847  -0.288   3.754  -2.944
 4180TIP3   OH218848   0.115   3.576  -4.316
 4180TIP3    H118849   0.082   3.559  -4.226
 4180TIP3    H218850   0.044   3.634  -4.350
 4181TIP3   OH218851  -0.572   3.588  -3.601
 4181TIP3    H118852  -0.512   3.589  -3.525
 4181TIP3    H218853  -0.518   3.552  -3.672
 4182TIP3   OH218854  -0.416   3.633  -4.040
 4182TIP3    H118855  -0.358   3.682  -4.101
 4182TIP3    H218856  -0.482   3.701  -4.018
 4183TIP3   OH218857   0.546   4.005  -3.058
 4183TIP3    H118858   0.592   3.955  -3.128
 4183TIP3    H218859   0.528   3.938  -2.992
 4184TIP3   OH218860   0.278   3.586  -3.555
 4184TIP3    H118861   0.184   3.592  -3.531
 4184TIP3    H218862   0.320   3.580  -3.467
 4185TIP3   OH218863  -0.266   3.713  -3.687
 4185TIP3    H118864  -0.344   3.743  -3.736
 4185TIP3    H218865  -0.234   3.638  -3.740
 4186TIP3   OH218866   0.099   3.751  -3.926
 4186TIP3    H118867   0.196   3.761  -3.916
 4186TIP3    H218868   0.077   3.814  -3.997
 4187TIP3   OH218869   0.719   3.507  -3.256
 4187TIP3    H118870   0.656   3.511  -3.182
 4187TIP3    H218871   0.660   3.472  -3.326
 4188TIP3   OH218872  -0.044   3.866  -4.157
 4188TIP3    H118873  -0.104   3.818  -4.217
 4188TIP3    H218874   0.029   3.892  -4.215
 4189TIP3   OH218875  -0.162   4.317  -2.678
 4189TIP3    H118876  -0.105   4.365  -2.615
 4189TIP3    H218877  -0.242   4.305  -2.624
 4190TIP3   OH218878   0.383   3.835  -3.378
 4190TIP3    H118879   0.452   3.799  -3.434
 4190TIP3    H218880   0.385   3.779  -3.299
 4191TIP3   OH218881  -0.088   3.490  -3.763
 4191TIP3    H118882  -0.140   3.411  -3.747
 4191TIP3    H218883  -0.004   3.454  -3.795
 4192TIP3   OH218884   0.276   3.687  -3.148
 4192TIP3    H118885   0.205   3.752  -3.156
 4192TIP3    H218886   0.328   3.721  -3.072
 4193TIP3   OH218887   0.282   4.349  -3.955
 4193TIP3    H118888   0.217   4.288  -3.996
 4193TIP3    H218889   0.278   4.327  -3.861
 4194TIP3   OH218890   1.040   4.266  -3.094
 4194TIP3    H118891   1.061   4.312  -3.177
 4194TIP3    H218892   0.945   4.252  -3.111
 4195TIP3   OH218893   0.709   3.608  -4.186
 4195TIP3    H118894   0.611   3.607  -4.184
 4195TIP3    H218895   0.733   3.683  -4.127
 4196TIP3   OH218896   0.775   3.792  -3.994
 4196TIP3    H118897   0.859   3.779  -3.945
 4196TIP3    H218898   0.784   3.883  -4.027
 4197TIP3   OH218899  -0.165   4.251  -3.386
 4197TIP3    H118900  -0.109   4.238  -3.467
 4197TIP3    H218901  -0.153   4.164  -3.344
 4198TIP3   OH218902  -0.460   4.080  -2.856
 4198TIP3    H118903  -0.451   4.043  -2.766
 4198TIP3    H218904  -0.534   4.031  -2.894
 4199TIP3   OH218905   0.229   4.048  -2.650
 4199TIP3    H118906   0.194   4.029  -2.739
 4199TIP3    H218907   0.324   4.029  -2.662
 4200TIP3   OH218908   1.244   3.803  -4.000
 4200TIP3    H118909   1.178   3.786  -4.070
 4200TIP3    H218910   1.254   3.899  -4.015
 4201TIP3   OH218911   0.779   4.162  -3.221
 4201TIP3    H118912   0.692   4.175  -3.263
 4201TIP3    H218913   0.829   4.137  -3.300
 4202TIP3   OH218914  -0.348   4.084  -4.195
 4202TIP3    H118915  -0.293   4.154  -4.156
 4202TIP3    H218916  -0.438   4.112  -4.172
 4203TIP3   OH218917  -0.337   3.565  -2.887
 4203TIP3    H118918  -0.427   3.591  -2.915
 4203TIP3    H218919  -0.352   3.477  -2.849
 4204TIP3   OH218920  -0.192  -4.395  -4.010
 4204TIP3    H118921  -0.281  -4.355  -4.002
 4204TIP3    H218922  -0.141  -4.319  -4.040
 4205TIP3   OH218923   0.560   3.551  -3.035
 4205TIP3    H118924   0.624   3.575  -2.967
 4205TIP3    H218925   0.511   3.477  -2.995
 4206TIP3   OH218926   0.633   3.505  -3.910
 4206TIP3    H118927   0.657   3.560  -3.986
 4206TIP3    H218928   0.672   3.555  -3.836
 4207TIP3   OH218929   0.365   3.689  -3.816
 4207TIP3    H118930   0.443   3.749  -3.805
 4207TIP3    H218931   0.338   3.678  -3.723
 4208TIP3   OH218932   0.398   3.787  -2.895
 4208TIP3    H118933   0.412   3.845  -2.819
 4208TIP3    H218934   0.457   3.713  -2.878
 4209TIP3   OH218935   0.430   3.396  -3.724
 4209TIP3    H118936   0.407   3.466  -3.659
 4209TIP3    H218937   0.503   3.439  -3.772
 4210TIP3   OH218938  -0.000   3.502  -4.078
 4210TIP3    H118939  -0.006   3.576  -4.016
 4210TIP3    H218940   0.076   3.453  -4.042
 4211TIP3   OH218941   1.030   3.583  -2.810
 4211TIP3    H118942   0.935   3.600  -2.827
 4211TIP3    H218943   1.057   3.562  -2.901
 4212TIP3   OH218944   0.887   3.950  -3.433
 4212TIP3    H118945   0.790   3.947  -3.437
 4212TIP3    H218946   0.910   3.882  -3.367
 4213TIP3   OH218947  -0.342   3.807  -4.257
 4213TIP3    H118948  -0.327   3.902  -4.240
 4213TIP3    H218949  -0.433   3.808  -4.289
 4214TIP3   OH218950  -0.253   3.303  -3.371
 4214TIP3    H118951  -0.273   3.303  -3.467
 4214TIP3    H218952  -0.290   3.218  -3.341
 4215TIP3   OH218953  -0.405   4.307  -2.566
 4215TIP3    H118954  -0.427   4.212  -2.562
 4215TIP3    H218955  -0.488   4.350  -2.591
 4216TIP3   OH218956   0.183   4.328  -2.609
 4216TIP3    H118957   0.186   4.350  -2.705
 4216TIP3    H218958   0.219   4.238  -2.609
 4217TIP3   OH218959   0.787  -4.376  -2.835
 4217TIP3    H118960   0.864  -4.332  -2.872
 4217TIP3    H218961   0.716  -4.315  -2.860
 4218TIP3   OH218962  -0.349   4.024  -2.593
 4218TIP3    H118963  -0.271   3.966  -2.599
 4218TIP3    H218964  -0.348   4.045  -2.497
 4219TIP3   OH218965   0.105   4.159  -4.089
 4219TIP3    H118966   0.043   4.119  -4.026
 4219TIP3    H218967   0.132   4.084  -4.143
 4220TIP3   OH218968   0.025   3.934  -2.851
 4220TIP3    H118969  -0.033   4.011  -2.838
 4220TIP3    H218970   0.087   3.967  -2.918
 4221TIP3   OH218971   0.219   3.956  -4.270
 4221TIP3    H118972   0.220   3.949  -4.366
 4221TIP3    H218973   0.315   3.965  -4.251
 4222TIP3   OH218974   0.556   4.216  -2.494
 4222TIP3    H118975   0.639   4.196  -2.538
 4222TIP3    H218976   0.517   4.129  -2.479
 4223TIP3   OH218977   0.083   3.664  -2.741
 4223TIP3    H118978   0.088   3.598  -2.813
 4223TIP3    H218979   0.063   3.745  -2.791
 4224TIP3   OH218980   0.114   3.508  -2.997
 4224TIP3    H118981   0.167   3.564  -3.059
 4224TIP3    H218982   0.023   3.515  -3.033
 4225TIP3   OH218983   0.268   4.067  -2.966
 4225TIP3    H118984   0.352   4.056  -3.015
 4225TIP3    H218985   0.233   4.149  -3.005
 4226TIP3   OH218986   0.731   3.837  -2.466
 4226TIP3    H118987   0.761   3.749  -2.491
 4226TIP3    H218988   0.813   3.889  -2.478
 4227TIP3   OH218989   0.820   4.136  -2.638
 4227TIP3    H118990   0.798   4.207  -2.703
 4227TIP3    H218991   0.911   4.116  -2.667
 4228TIP3   OH218992  -0.102   3.849  -2.559
 4228TIP3    H118993  -0.153   3.766  -2.563
 4228TIP3    H218994  -0.022   3.826  -2.609
 4229TIP3   OH218995   0.186   3.243  -2.960
 4229TIP3    H118996   0.170   3.338  -2.977
 4229TIP3    H218997   0.117   3.202  -3.015
 4230TIP3   OH218998   0.315   3.697  -2.580
 4230TIP3    H118999   0.270   3.682  -2.495
 4230TIP3    H219000   0.239   3.682  -2.640
 4231TIP3   OH219001   0.570   3.607  -2.693
 4231TIP3    H119002   0.479   3.612  -2.659
 4231TIP3    H219003   0.611   3.544  -2.631
 4232TIP3   OH219004   0.751   3.465  -2.492
 4232TIP3    H119005   0.735   3.369  -2.499
 4232TIP3    H219006   0.710   3.486  -2.407
 4233TIP3   OH219007  -0.230   3.594  -2.578
 4233TIP3    H119008  -0.240   3.525  -2.646
 4233TIP3    H219009  -0.255   3.546  -2.497
 4234TIP3   OH219010   0.171   3.191  -2.678
 4234TIP3    H119011   0.233   3.116  -2.676
 4234TIP3    H219012   0.166   3.208  -2.774
 4235TIP3   OH219013   0.266   3.379  -2.490
 4235TIP3    H119014   0.237   3.321  -2.563
 4235TIP3    H219015   0.198   3.448  -2.490
 4236TIP3   OH219016   1.210   4.368  -3.887
 4236TIP3    H119017   1.303   4.357  -3.911
 4236TIP3    H219018   1.185   4.280  -3.853
 4237TIP3   OH219019   1.242   4.128  -3.733
 4237TIP3    H119020   1.161   4.087  -3.695
 4237TIP3    H219021   1.293   4.153  -3.654
 4238TIP3   OH219022   1.260   4.109  -4.108
 4238TIP3    H119023   1.194   4.138  -4.173
 4238TIP3    H219024   1.241   4.169  -4.036
 4239TIP3   OH219025   1.084   3.848  -4.212
 4239TIP3    H119026   1.107   3.921  -4.272
 4239TIP3    H219027   1.114   3.771  -4.260
 4240TIP3   OH219028   1.021   3.967  -3.663
 4240TIP3    H119029   1.008   3.872  -3.679
 4240TIP3    H219030   0.976   3.975  -3.575
 4241TIP3   OH219031  -0.499   4.189  -3.260
 4241TIP3    H119032  -0.490   4.202  -3.355
 4241TIP3    H219033  -0.409   4.160  -3.234
 4242TIP3   OH219034   1.101   4.159  -2.744
 4242TIP3    H119035   1.173   4.102  -2.709
 4242TIP3    H219036   1.142   4.245  -2.760
 4243TIP3   OH219037   1.240   3.967  -2.616
 4243TIP3    H119038   1.160   3.914  -2.637
 4243TIP3    H219039   1.309   3.898  -2.615
 4244TIP3   OH219040   1.005   3.543  -4.325
 4244TIP3    H119041   1.060   3.506  -4.256
 4244TIP3    H219042   0.922   3.493  -4.318
 4245TIP3   OH219043   1.007   3.712  -3.835
 4245TIP3    H119044   1.029   3.617  -3.826
 4245TIP3    H219045   1.089   3.747  -3.872
 4246TIP3   OH219046   1.034   3.756  -3.287
 4246TIP3    H119047   1.128   3.780  -3.293
 4246TIP3    H219048   1.016   3.772  -3.193
 4247TIP3   OH219049   1.051   3.840  -3.001
 4247TIP3    H119050   0.962   3.877  -2.983
 4247TIP3    H219051   1.100   3.919  -3.029
 4248TIP3   OH219052  -0.501   3.717  -2.636
 4248TIP3    H119053  -0.407   3.689  -2.638
 4248TIP3    H219054  -0.546   3.631  -2.632
 4249TIP3   OH219055   1.306   3.253  -2.478
 4249TIP3    H119056   1.349   3.183  -2.531
 4249TIP3    H219057   1.310   3.330  -2.537
 4250TIP3   OH219058   1.060   3.430  -3.831
 4250TIP3    H119059   1.063   3.400  -3.739
 4250TIP3    H219060   0.982   3.382  -3.864
 4251TIP3   OH219061  -0.422   3.547  -3.360
 4251TIP3    H119062  -0.376   3.462  -3.351
 4251TIP3    H219063  -0.355   3.609  -3.326
 4252TIP3   OH219064  -0.568   3.814  -3.253
 4252TIP3    H119065  -0.509   3.812  -3.330
 4252TIP3    H219066  -0.536   3.893  -3.207
 4253TIP3   OH219067   1.245   3.458  -2.653
 4253TIP3    H119068   1.157   3.500  -2.650
 4253TIP3    H219069   1.234   3.402  -2.733
 4254TIP3   OH219070   1.260   3.470  -4.173
 4254TIP3    H119071   1.284   3.403  -4.237
 4254TIP3    H219072   1.341   3.524  -4.169
 4255TIP3   OH219073  -0.518   3.444  -3.856
 4255TIP3    H119074  -0.614   3.451  -3.871
 4255TIP3    H219075  -0.481   3.509  -3.920
 4256TIP3   OH219076  -0.515   3.335  -3.035
 4256TIP3    H119077  -0.586   3.311  -2.974
 4256TIP3    H219078  -0.564   3.390  -3.100
 4257TIP3   OH219079   1.131   3.280  -2.853
 4257TIP3    H119080   1.053   3.302  -2.907
 4257TIP3    H219081   1.153   3.191  -2.888
 4258TIP3   OH219082   0.478   3.427  -3.402
 4258TIP3    H119083   0.405   3.362  -3.396
 4258TIP3    H219084   0.534   3.388  -3.471
 4259TIP3   OH219085   0.970   3.230  -3.364
 4259TIP3    H119086   1.045   3.278  -3.403
 4259TIP3    H219087   0.894   3.263  -3.416
 4260TIP3   OH219088   1.181   3.339  -3.572
 4260TIP3    H119089   1.250   3.304  -3.630
 4260TIP3    H219090   1.206   3.433  -3.565
 4261TIP3   OH219091  -0.290   3.301  -3.651
 4261TIP3    H119092  -0.375   3.289  -3.698
 4261TIP3    H219093  -0.247   3.216  -3.669
 4262TIP3   OH219094  -0.415   3.256  -4.083
 4262TIP3    H119095  -0.354   3.320  -4.127
 4262TIP3    H219096  -0.446   3.310  -4.008
 4263TIP3   OH219097   0.157   3.279  -3.665
 4263TIP3    H119098   0.245   3.318  -3.681
 4263TIP3    H219099   0.155   3.276  -3.569
 4264TIP3   OH219100   0.721   3.286  -3.522
 4264TIP3    H119101   0.740   3.278  -3.616
 4264TIP3    H219102   0.678   3.201  -3.502
 4265TIP3   OH219103   0.825   3.284  -3.922
 4265TIP3    H119104   0.748   3.340  -3.942
 4265TIP3    H219105   0.785   3.195  -3.922
 4266TIP3   OH219106  -0.244   3.424  -4.228
 4266TIP3    H119107  -0.183   3.374  -4.285
 4266TIP3    H219108  -0.181   3.481  -4.180
 4267TIP3   OH219109   0.268   3.444  -3.958
 4267TIP3    H119110   0.312   3.395  -3.887
 4267TIP3    H219111   0.291   3.534  -3.931
 4268TIP3   OH219112  -0.311   3.324  -2.701
 4268TIP3    H119113  -0.351   3.243  -2.665
 4268TIP3    H219114  -0.219   3.313  -2.674
 4269TIP3   OH219115  -0.071   3.265  -2.524
 4269TIP3    H119116   0.011   3.230  -2.566
 4269TIP3    H219117  -0.108   3.184  -2.486
 4270TIP3   OH219118   0.741   3.185  -2.508
 4270TIP3    H119119   0.744   3.137  -2.423
 4270TIP3    H219120   0.834   3.179  -2.537
 4271TIP3   OH219121   2.499   4.204  -3.647
 4271TIP3    H119122   2.467   4.295  -3.645
 4271TIP3    H219123   2.425   4.160  -3.692
 4272TIP3   OH219124   2.380   4.132  -3.318
 4272TIP3    H119125   2.382   4.080  -3.236
 4272TIP3    H219126   2.353   4.067  -3.384
 4273TIP3   OH219127   1.624   4.082  -3.158
 4273TIP3    H119128   1.621   4.007  -3.095
 4273TIP3    H219129   1.696   4.134  -3.121
 4274TIP3   OH219130   1.395   3.887  -3.763
 4274TIP3    H119131   1.348   3.972  -3.753
 4274TIP3    H219132   1.327   3.832  -3.803
 4275TIP3   OH219133   1.492   4.138  -3.574
 4275TIP3    H119134   1.487   4.056  -3.521
 4275TIP3    H219135   1.566   4.116  -3.631
 4276TIP3   OH219136   3.089   3.527  -3.201
 4276TIP3    H119137   3.119   3.583  -3.127
 4276TIP3    H219138   3.163   3.541  -3.263
 4277TIP3   OH219139   2.561   3.804  -3.211
 4277TIP3    H119140   2.575   3.708  -3.207
 4277TIP3    H219141   2.551   3.818  -3.307
 4278TIP3   OH219142   1.859   3.605  -3.505
 4278TIP3    H119143   1.871   3.691  -3.550
 4278TIP3    H219144   1.821   3.553  -3.579
 4279TIP3   OH219145   2.641   3.621  -3.675
 4279TIP3    H119146   2.698   3.577  -3.608
 4279TIP3    H219147   2.708   3.665  -3.729
 4280TIP3   OH219148   1.526   3.879  -3.454
 4280TIP3    H119149   1.587   3.830  -3.397
 4280TIP3    H219150   1.533   3.829  -3.537
 4281TIP3   OH219151   2.068   4.019  -3.507
 4281TIP3    H119152   2.135   3.960  -3.466
 4281TIP3    H219153   2.013   3.954  -3.555
 4282TIP3   OH219154   3.172   3.662  -2.949
 4282TIP3    H119155   3.111   3.732  -2.980
 4282TIP3    H219156   3.144   3.654  -2.857
 4283TIP3   OH219157   1.737   3.484  -3.088
 4283TIP3    H119158   1.697   3.535  -3.160
 4283TIP3    H219159   1.672   3.499  -3.017
 4284TIP3   OH219160   2.008   4.267  -3.111
 4284TIP3    H119161   1.927   4.320  -3.108
 4284TIP3    H219162   2.073   4.339  -3.117
 4285TIP3   OH219163   2.826   3.546  -3.470
 4285TIP3    H119164   2.787   3.487  -3.404
 4285TIP3    H219165   2.879   3.606  -3.414
 4286TIP3   OH219166   1.698   3.688  -3.294
 4286TIP3    H119167   1.762   3.746  -3.248
 4286TIP3    H219168   1.756   3.652  -3.365
 4287TIP3   OH219169   2.837   3.461  -3.084
 4287TIP3    H119170   2.760   3.500  -3.130
 4287TIP3    H219171   2.910   3.482  -3.146
 4288TIP3   OH219172   2.152   3.234  -3.381
 4288TIP3    H119173   2.129   3.139  -3.385
 4288TIP3    H219174   2.069   3.272  -3.343
 4289TIP3   OH219175   2.354   4.140  -3.909
 4289TIP3    H119176   2.289   4.183  -3.966
 4289TIP3    H219177   2.430   4.135  -3.968
 4290TIP3   OH219178   2.386   3.951  -4.203
 4290TIP3    H119179   2.457   3.981  -4.144
 4290TIP3    H219180   2.437   3.890  -4.261
 4291TIP3   OH219181   3.103   4.057  -3.079
 4291TIP3    H119182   3.036   4.128  -3.068
 4291TIP3    H219183   3.152   4.094  -3.155
 4292TIP3   OH219184   2.720   4.141  -3.807
 4292TIP3    H119185   2.654   4.161  -3.738
 4292TIP3    H219186   2.786   4.089  -3.757
 4293TIP3   OH219187   2.694   3.982  -2.912
 4293TIP3    H119188   2.696   4.061  -2.856
 4293TIP3    H219189   2.636   4.015  -2.983
 4294TIP3   OH219190   1.872   4.205  -3.611
 4294TIP3    H119191   1.852   4.179  -3.702
 4294TIP3    H219192   1.951   4.153  -3.592
 4295TIP3   OH219193   1.929   4.066  -3.269
 4295TIP3    H119194   1.985   4.074  -3.349
 4295TIP3    H219195   1.959   4.142  -3.215
 4296TIP3   OH219196   2.618   4.078  -4.056
 4296TIP3    H119197   2.669   4.102  -3.975
 4296TIP3    H219198   2.679   4.109  -4.126
 4297TIP3   OH219199   1.713   4.147  -2.884
 4297TIP3    H119200   1.724   4.210  -2.809
 4297TIP3    H219201   1.616   4.139  -2.886
 4298TIP3   OH219202   2.964   3.241  -4.081
 4298TIP3    H119203   2.871   3.250  -4.056
 4298TIP3    H219204   2.988   3.333  -4.100
 4299TIP3   OH219205   1.763   4.087  -3.861
 4299TIP3    H119206   1.742   4.166  -3.916
 4299TIP3    H219207   1.697   4.024  -3.892
 4300TIP3   OH219208   1.361   4.310  -2.981
 4300TIP3    H119209   1.357   4.292  -3.076
 4300TIP3    H219210   1.391   4.223  -2.946
 4301TIP3   OH219211   2.893   3.839  -2.678
 4301TIP3    H119212   2.842   3.875  -2.752
 4301TIP3    H219213   2.898   3.744  -2.704
 4302TIP3   OH219214   1.910   3.348  -3.289
 4302TIP3    H119215   1.827   3.342  -3.340
 4302TIP3    H219216   1.887   3.422  -3.230
 4303TIP3   OH219217   2.346   3.306  -2.924
 4303TIP3    H119218   2.399   3.253  -2.861
 4303TIP3    H219219   2.256   3.272  -2.912
 4304TIP3   OH219220   2.664   3.686  -2.871
 4304TIP3    H119221   2.601   3.670  -2.798
 4304TIP3    H219222   2.653   3.781  -2.889
 4305TIP3   OH219223   2.816   4.146  -4.251
 4305TIP3    H119224   2.799   4.153  -4.346
 4305TIP3    H219225   2.863   4.230  -4.233
 4306TIP3   OH219226   2.329   3.545  -4.216
 4306TIP3    H119227   2.273   3.551  -4.138
 4306TIP3    H219228   2.284   3.476  -4.266
 4307TIP3   OH219229   1.896   3.824  -3.144
 4307TIP3    H119230   1.833   3.838  -3.071
 4307TIP3    H219231   1.904   3.914  -3.182
 4308TIP3   OH219232   1.889   3.835  -3.661
 4308TIP3    H119233   1.793   3.826  -3.677
 4308TIP3    H219234   1.923   3.816  -3.751
 4309TIP3   OH219235   2.459   3.897  -3.784
 4309TIP3    H119236   2.412   3.972  -3.823
 4309TIP3    H219237   2.521   3.872  -3.855
 4310TIP3   OH219238   2.370   3.922  -2.637
 4310TIP3    H119239   2.319   3.844  -2.607
 4310TIP3    H219240   2.459   3.903  -2.601
 4311TIP3   OH219241   2.534   3.829  -3.507
 4311TIP3    H119242   2.509   3.884  -3.583
 4311TIP3    H219243   2.559   3.747  -3.554
 4312TIP3   OH219244   1.637   3.840  -2.969
 4312TIP3    H119245   1.653   3.879  -2.882
 4312TIP3    H219246   1.598   3.754  -2.945
 4313TIP3   OH219247   2.004   3.580  -4.314
 4313TIP3    H119248   1.968   3.558  -4.226
 4313TIP3    H219249   1.931   3.635  -4.349
 4314TIP3   OH219250   1.316   3.593  -3.602
 4314TIP3    H119251   1.376   3.586  -3.525
 4314TIP3    H219252   1.365   3.550  -3.673
 4315TIP3   OH219253   1.472   3.634  -4.038
 4315TIP3    H119254   1.527   3.684  -4.102
 4315TIP3    H219255   1.403   3.700  -4.018
 4316TIP3   OH219256   2.434   3.997  -3.060
 4316TIP3    H119257   2.486   3.930  -3.110
 4316TIP3    H219258   2.403   3.944  -2.985
 4317TIP3   OH219259   2.167   3.593  -3.557
 4317TIP3    H119260   2.072   3.591  -3.535
 4317TIP3    H219261   2.207   3.575  -3.471
 4318TIP3   OH219262   1.624   3.715  -3.690
 4318TIP3    H119263   1.541   3.743  -3.734
 4318TIP3    H219264   1.651   3.637  -3.741
 4319TIP3   OH219265   1.985   3.755  -3.923
 4319TIP3    H119266   2.082   3.762  -3.918
 4319TIP3    H219267   1.960   3.812  -3.998
 4320TIP3   OH219268   2.604   3.507  -3.255
 4320TIP3    H119269   2.540   3.509  -3.181
 4320TIP3    H219270   2.547   3.474  -3.326
 4321TIP3   OH219271   1.844   3.867  -4.156
 4321TIP3    H119272   1.781   3.820  -4.214
 4321TIP3    H219273   1.916   3.890  -4.217
 4322TIP3   OH219274   1.724   4.316  -2.677
 4322TIP3    H119275   1.779   4.365  -2.613
 4322TIP3    H219276   1.643   4.304  -2.624
 4323TIP3   OH219277   2.267   3.850  -3.375
 4323TIP3    H119278   2.342   3.807  -3.420
 4323TIP3    H219279   2.253   3.790  -3.299
 4324TIP3   OH219280   1.800   3.489  -3.763
 4324TIP3    H119281   1.743   3.412  -3.747
 4324TIP3    H219282   1.882   3.450  -3.795
 4325TIP3   OH219283   2.165   3.695  -3.151
 4325TIP3    H119284   2.087   3.752  -3.149
 4325TIP3    H219285   2.214   3.721  -3.071
 4326TIP3   OH219286   2.148   4.360  -3.946
 4326TIP3    H119287   2.095   4.294  -3.995
 4326TIP3    H219288   2.178   4.314  -3.867
 4327TIP3   OH219289   2.926   4.267  -3.093
 4327TIP3    H119290   2.950   4.312  -3.176
 4327TIP3    H219291   2.831   4.255  -3.111
 4328TIP3   OH219292   2.594   3.611  -4.185
 4328TIP3    H119293   2.496   3.608  -4.186
 4328TIP3    H219294   2.616   3.685  -4.126
 4329TIP3   OH219295   2.655   3.795  -3.985
 4329TIP3    H119296   2.742   3.775  -3.945
 4329TIP3    H219297   2.673   3.879  -4.030
 4330TIP3   OH219298   1.726   4.253  -3.387
 4330TIP3    H119299   1.781   4.240  -3.467
 4330TIP3    H219300   1.728   4.164  -3.349
 4331TIP3   OH219301   1.428   4.078  -2.857
 4331TIP3    H119302   1.434   4.042  -2.766
 4331TIP3    H219303   1.350   4.032  -2.894
 4332TIP3   OH219304   2.115   4.051  -2.651
 4332TIP3    H119305   2.079   4.027  -2.739
 4332TIP3    H219306   2.209   4.027  -2.662
 4333TIP3   OH219307   3.128   3.806  -3.997
 4333TIP3    H119308   3.067   3.784  -4.070
 4333TIP3    H219309   3.139   3.901  -4.018
 4334TIP3   OH219310   2.668   4.183  -3.227
 4334TIP3    H119311   2.576   4.181  -3.258
 4334TIP3    H219312   2.715   4.133  -3.296
 4335TIP3   OH219313   1.537   4.085  -4.197
 4335TIP3    H119314   1.589   4.155  -4.156
 4335TIP3    H219315   1.446   4.109  -4.171
 4336TIP3   OH219316   1.549   3.566  -2.888
 4336TIP3    H119317   1.459   3.590  -2.916
 4336TIP3    H219318   1.534   3.477  -2.850
 4337TIP3   OH219319   1.696  -4.394  -4.009
 4337TIP3    H119320   1.605  -4.358  -4.004
 4337TIP3    H219321   1.743  -4.316  -4.041
 4338TIP3   OH219322   2.446   3.549  -3.035
 4338TIP3    H119323   2.508   3.575  -2.965
 4338TIP3    H219324   2.398   3.475  -2.994
 4339TIP3   OH219325   2.507   3.503  -3.921
 4339TIP3    H119326   2.538   3.552  -3.999
 4339TIP3    H219327   2.559   3.543  -3.850
 4340TIP3   OH219328   2.252   3.696  -3.815
 4340TIP3    H119329   2.332   3.749  -3.798
 4340TIP3    H219330   2.222   3.677  -3.724
 4341TIP3   OH219331   2.293   3.792  -2.898
 4341TIP3    H119332   2.296   3.840  -2.814
 4341TIP3    H219333   2.340   3.710  -2.876
 4342TIP3   OH219334   2.314   3.395  -3.725
 4342TIP3    H119335   2.294   3.463  -3.657
 4342TIP3    H219336   2.386   3.439  -3.775
 4343TIP3   OH219337   1.886   3.502  -4.080
 4343TIP3    H119338   1.877   3.573  -4.015
 4343TIP3    H219339   1.961   3.452  -4.043
 4344TIP3   OH219340   2.917   3.585  -2.810
 4344TIP3    H119341   2.821   3.597  -2.825
 4344TIP3    H219342   2.942   3.561  -2.901
 4345TIP3   OH219343   2.768   3.969  -3.415
 4345TIP3    H119344   2.684   3.923  -3.435
 4345TIP3    H219345   2.816   3.901  -3.363
 4346TIP3   OH219346   1.546   3.808  -4.258
 4346TIP3    H119347   1.558   3.903  -4.240
 4346TIP3    H219348   1.453   3.806  -4.289
 4347TIP3   OH219349   1.633   3.303  -3.371
 4347TIP3    H119350   1.612   3.303  -3.467
 4347TIP3    H219351   1.596   3.218  -3.341
 4348TIP3   OH219352   1.480   4.307  -2.566
 4348TIP3    H119353   1.457   4.212  -2.564
 4348TIP3    H219354   1.399   4.351  -2.593
 4349TIP3   OH219355   2.072   4.328  -2.612
 4349TIP3    H119356   2.072   4.346  -2.708
 4349TIP3    H219357   2.103   4.236  -2.609
 4350TIP3   OH219358   2.672  -4.376  -2.837
 4350TIP3    H119359   2.750  -4.331  -2.872
 4350TIP3    H219360   2.602  -4.313  -2.860
 4351TIP3   OH219361   1.536   4.023  -2.592
 4351TIP3    H119362   1.615   3.966  -2.600
 4351TIP3    H219363   1.538   4.045  -2.497
 4352TIP3   OH219364   2.000   4.156  -4.082
 4352TIP3    H119365   1.927   4.122  -4.029
 4352TIP3    H219366   2.014   4.083  -4.145
 4353TIP3   OH219367   1.912   3.934  -2.850
 4353TIP3    H119368   1.852   4.010  -2.837
 4353TIP3    H219369   1.972   3.969  -2.918
 4354TIP3   OH219370   2.106   3.957  -4.269
 4354TIP3    H119371   2.103   3.947  -4.365
 4354TIP3    H219372   2.202   3.965  -4.253
 4355TIP3   OH219373   2.444   4.216  -2.493
 4355TIP3    H119374   2.526   4.192  -2.539
 4355TIP3    H219375   2.402   4.131  -2.477
 4356TIP3   OH219376   1.968   3.664  -2.742
 4356TIP3    H119377   1.973   3.598  -2.813
 4356TIP3    H219378   1.946   3.745  -2.791
 4357TIP3   OH219379   2.000   3.510  -2.997
 4357TIP3    H119380   2.051   3.563  -3.061
 4357TIP3    H219381   1.909   3.514  -3.033
 4358TIP3   OH219382   2.151   4.068  -2.966
 4358TIP3    H119383   2.234   4.056  -3.014
 4358TIP3    H219384   2.114   4.148  -3.006
 4359TIP3   OH219385   2.615   3.850  -2.478
 4359TIP3    H119386   2.632   3.755  -2.466
 4359TIP3    H219387   2.706   3.884  -2.487
 4360TIP3   OH219388   2.708   4.138  -2.640
 4360TIP3    H119389   2.685   4.209  -2.704
 4360TIP3    H219390   2.798   4.116  -2.672
 4361TIP3   OH219391   1.782   3.850  -2.562
 4361TIP3    H119392   1.732   3.767  -2.564
 4361TIP3    H219393   1.864   3.825  -2.606
 4362TIP3   OH219394   2.072   3.243  -2.961
 4362TIP3    H119395   2.055   3.338  -2.978
 4362TIP3    H219396   2.002   3.202  -3.015
 4363TIP3   OH219397   2.199   3.702  -2.584
 4363TIP3    H119398   2.164   3.681  -2.495
 4363TIP3    H219399   2.120   3.682  -2.638
 4364TIP3   OH219400   2.452   3.608  -2.695
 4364TIP3    H119401   2.364   3.612  -2.654
 4364TIP3    H219402   2.498   3.543  -2.638
 4365TIP3   OH219403   2.638   3.454  -2.523
 4365TIP3    H119404   2.622   3.359  -2.509
 4365TIP3    H219405   2.618   3.494  -2.437
 4366TIP3   OH219406   1.655   3.594  -2.578
 4366TIP3    H119407   1.646   3.525  -2.645
 4366TIP3    H219408   1.631   3.546  -2.497
 4367TIP3   OH219409   2.056   3.192  -2.680
 4367TIP3    H119410   2.115   3.115  -2.675
 4367TIP3    H219411   2.053   3.207  -2.776
 4368TIP3   OH219412   2.151   3.379  -2.495
 4368TIP3    H119413   2.120   3.319  -2.566
 4368TIP3    H219414   2.081   3.447  -2.493
 4369TIP3   OH219415   3.091   4.363  -3.892
 4369TIP3    H119416   3.185   4.363  -3.911
 4369TIP3    H219417   3.075   4.277  -3.851
 4370TIP3   OH219418   3.127   4.130  -3.732
 4370TIP3    H119419   3.048   4.086  -3.693
 4370TIP3    H219420   3.180   4.151  -3.654
 4371TIP3   OH219421   3.144   4.107  -4.106
 4371TIP3    H119422   3.081   4.137  -4.173
 4371TIP3    H219423   3.129   4.172  -4.037
 4372TIP3   OH219424   2.968   3.849  -4.211
 4372TIP3    H119425   2.995   3.918  -4.274
 4372TIP3    H219426   2.996   3.769  -4.257
 4373TIP3   OH219427   2.900   3.966  -3.657
 4373TIP3    H119428   2.897   3.870  -3.672
 4373TIP3    H219429   2.864   3.973  -3.566
 4374TIP3   OH219430   1.387   4.189  -3.260
 4374TIP3    H119431   1.395   4.203  -3.355
 4374TIP3    H219432   1.477   4.160  -3.235
 4375TIP3   OH219433   2.985   4.161  -2.735
 4375TIP3    H119434   3.059   4.101  -2.711
 4375TIP3    H219435   3.028   4.245  -2.760
 4376TIP3   OH219436   3.127   3.965  -2.616
 4376TIP3    H119437   3.046   3.914  -2.639
 4376TIP3    H219438   3.195   3.895  -2.615
 4377TIP3   OH219439   2.887   3.550  -4.321
 4377TIP3    H119440   2.951   3.501  -4.267
 4377TIP3    H219441   2.808   3.493  -4.320
 4378TIP3   OH219442   2.891   3.710  -3.835
 4378TIP3    H119443   2.916   3.615  -3.829
 4378TIP3    H219444   2.973   3.747  -3.873
 4379TIP3   OH219445   2.919   3.771  -3.290
 4379TIP3    H119446   3.017   3.776  -3.292
 4379TIP3    H219447   2.905   3.770  -3.194
 4380TIP3   OH219448   2.938   3.838  -3.003
 4380TIP3    H119449   2.851   3.875  -2.982
 4380TIP3    H219450   2.988   3.917  -3.031
 4381TIP3   OH219451   1.385   3.716  -2.636
 4381TIP3    H119452   1.479   3.690  -2.638
 4381TIP3    H219453   1.341   3.630  -2.633
 4382TIP3   OH219454   3.192   3.253  -2.478
 4382TIP3    H119455   3.234   3.184  -2.532
 4382TIP3    H219456   3.196   3.330  -2.537
 4383TIP3   OH219457   2.938   3.434  -3.832
 4383TIP3    H119458   2.961   3.395  -3.746
 4383TIP3    H219459   2.863   3.378  -3.860
 4384TIP3   OH219460   1.464   3.547  -3.362
 4384TIP3    H119461   1.509   3.462  -3.351
 4384TIP3    H219462   1.531   3.608  -3.324
 4385TIP3   OH219463   1.320   3.813  -3.250
 4385TIP3    H119464   1.374   3.812  -3.330
 4385TIP3    H219465   1.350   3.895  -3.208
 4386TIP3   OH219466   3.131   3.460  -2.654
 4386TIP3    H119467   3.042   3.499  -2.651
 4386TIP3    H219468   3.121   3.403  -2.732
 4387TIP3   OH219469   3.143   3.476  -4.180
 4387TIP3    H119470   3.174   3.398  -4.227
 4387TIP3    H219471   3.227   3.524  -4.164
 4388TIP3   OH219472   1.367   3.447  -3.853
 4388TIP3    H119473   1.271   3.451  -3.870
 4388TIP3    H219474   1.403   3.509  -3.920
 4389TIP3   OH219475   1.372   3.337  -3.034
 4389TIP3    H119476   1.300   3.310  -2.976
 4389TIP3    H219477   1.323   3.391  -3.100
 4390TIP3   OH219478   3.016   3.280  -2.855
 4390TIP3    H119479   2.936   3.299  -2.907
 4390TIP3    H219480   3.039   3.191  -2.887
 4391TIP3   OH219481   2.360   3.430  -3.409
 4391TIP3    H119482   2.291   3.362  -3.395
 4391TIP3    H219483   2.421   3.383  -3.469
 4392TIP3   OH219484   2.857   3.233  -3.362
 4392TIP3    H119485   2.933   3.277  -3.405
 4392TIP3    H219486   2.783   3.262  -3.417
 4393TIP3   OH219487   3.066   3.339  -3.588
 4393TIP3    H119488   3.148   3.304  -3.627
 4393TIP3    H219489   3.095   3.429  -3.566
 4394TIP3   OH219490   1.597   3.302  -3.653
 4394TIP3    H119491   1.510   3.290  -3.697
 4394TIP3    H219492   1.638   3.215  -3.668
 4395TIP3   OH219493   1.475   3.256  -4.081
 4395TIP3    H119494   1.532   3.322  -4.127
 4395TIP3    H219495   1.439   3.310  -4.008
 4396TIP3   OH219496   2.043   3.282  -3.666
 4396TIP3    H119497   2.133   3.315  -3.679
 4396TIP3    H219498   2.039   3.276  -3.570
 4397TIP3   OH219499   2.601   3.289  -3.524
 4397TIP3    H119500   2.628   3.274  -3.616
 4397TIP3    H219501   2.564   3.202  -3.500
 4398TIP3   OH219502   2.706   3.285  -3.919
 4398TIP3    H119503   2.628   3.332  -3.952
 4398TIP3    H219504   2.674   3.193  -3.917
 4399TIP3   OH219505   1.642   3.427  -4.230
 4399TIP3    H119506   1.700   3.371  -4.283
 4399TIP3    H219507   1.706   3.480  -4.181
 4400TIP3   OH219508   2.153   3.445  -3.959
 4400TIP3    H119509   2.194   3.394  -3.888
 4400TIP3    H219510   2.176   3.535  -3.930
 4401TIP3   OH219511   1.574   3.324  -2.700
 4401TIP3    H119512   1.536   3.242  -2.665
 4401TIP3    H219513   1.667   3.312  -2.674
 4402TIP3   OH219514   1.813   3.263  -2.527
 4402TIP3    H119515   1.895   3.229  -2.567
 4402TIP3    H219516   1.779   3.184  -2.484
 4403TIP3   OH219517   2.626   3.174  -2.510
 4403TIP3    H119518   2.629   3.133  -2.422
 4403TIP3    H219519   2.720   3.171  -2.536
 4404TIP3   OH219520   4.185   4.078  -3.321
 4404TIP3    H119521   4.254   4.107  -3.259
 4404TIP3    H219522   4.239   4.075  -3.401
 4405TIP3   OH219523   3.523   4.082  -3.162
 4405TIP3    H119524   3.512   4.008  -3.100
 4405TIP3    H219525   3.582   4.139  -3.111
 4406TIP3   OH219526   3.280   3.888  -3.758
 4406TIP3    H119527   3.231   3.972  -3.756
 4406TIP3    H219528   3.217   3.830  -3.804
 4407TIP3   OH219529   3.380   4.137  -3.572
 4407TIP3    H119530   3.374   4.054  -3.522
 4407TIP3    H219531   3.448   4.112  -3.636
 4408TIP3   OH219532   3.795   3.622  -3.497
 4408TIP3    H119533   3.766   3.686  -3.565
 4408TIP3    H219534   3.757   3.540  -3.534
 4409TIP3   OH219535   3.414   3.878  -3.453
 4409TIP3    H119536   3.475   3.825  -3.400
 4409TIP3    H219537   3.416   3.830  -3.537
 4410TIP3   OH219538   3.628   3.489  -3.092
 4410TIP3    H119539   3.576   3.525  -3.165
 4410TIP3    H219540   3.564   3.498  -3.019
 4411TIP3   OH219541   3.869   4.264  -3.109
 4411TIP3    H119542   3.796   4.326  -3.123
 4411TIP3    H219543   3.944   4.325  -3.115
 4412TIP3   OH219544   3.592   3.692  -3.313
 4412TIP3    H119545   3.657   3.742  -3.260
 4412TIP3    H219546   3.652   3.646  -3.376
 4413TIP3   OH219547   4.031   3.237  -3.363
 4413TIP3    H119548   4.010   3.142  -3.371
 4413TIP3    H219549   3.944   3.273  -3.339
 4414TIP3   OH219550   4.266   4.122  -3.912
 4414TIP3    H119551   4.198   4.188  -3.936
 4414TIP3    H219552   4.332   4.140  -3.979
 4415TIP3   OH219553   4.291   3.967  -4.195
 4415TIP3    H119554   4.373   3.967  -4.144
 4415TIP3    H219555   4.297   3.888  -4.248
 4416TIP3   OH219556   3.779   4.180  -3.595
 4416TIP3    H119557   3.750   4.183  -3.689
 4416TIP3    H219558   3.830   4.099  -3.596
 4417TIP3   OH219559   3.848   4.061  -3.292
 4417TIP3    H119560   3.898   4.109  -3.359
 4417TIP3    H219561   3.842   4.130  -3.222
 4418TIP3   OH219562   3.596   4.149  -2.887
 4418TIP3    H119563   3.609   4.211  -2.811
 4418TIP3    H219564   3.500   4.139  -2.885
 4419TIP3   OH219565   3.643   4.090  -3.849
 4419TIP3    H119566   3.628   4.166  -3.910
 4419TIP3    H219567   3.589   4.021  -3.890
 4420TIP3   OH219568   3.250   4.310  -2.981
 4420TIP3    H119569   3.242   4.291  -3.076
 4420TIP3    H219570   3.275   4.223  -2.945
 4421TIP3   OH219571   3.759   3.332  -3.310
 4421TIP3    H119572   3.681   3.331  -3.371
 4421TIP3    H219573   3.729   3.396  -3.244
 4422TIP3   OH219574   4.233   3.283  -2.864
 4422TIP3    H119575   4.246   3.212  -2.799
 4422TIP3    H219576   4.141   3.265  -2.893
 4423TIP3   OH219577   4.207   3.573  -4.214
 4423TIP3    H119578   4.162   3.538  -4.136
 4423TIP3    H219579   4.230   3.491  -4.260
 4424TIP3   OH219580   3.780   3.825  -3.152
 4424TIP3    H119581   3.718   3.829  -3.076
 4424TIP3    H219582   3.784   3.918  -3.181
 4425TIP3   OH219583   3.799   3.857  -3.645
 4425TIP3    H119584   3.702   3.857  -3.659
 4425TIP3    H219585   3.828   3.838  -3.737
 4426TIP3   OH219586   4.263   3.875  -3.715
 4426TIP3    H119587   4.266   3.963  -3.757
 4426TIP3    H219588   4.357   3.852  -3.706
 4427TIP3   OH219589   4.254   3.922  -2.598
 4427TIP3    H119590   4.198   3.842  -2.601
 4427TIP3    H219591   4.340   3.882  -2.619
 4428TIP3   OH219592   3.521   3.842  -2.969
 4428TIP3    H119593   3.540   3.876  -2.881
 4428TIP3    H219594   3.482   3.755  -2.948
 4429TIP3   OH219595   3.888   3.578  -4.323
 4429TIP3    H119596   3.862   3.560  -4.231
 4429TIP3    H219597   3.815   3.637  -4.351
 4430TIP3   OH219598   3.213   3.596  -3.588
 4430TIP3    H119599   3.277   3.569  -3.520
 4430TIP3    H219600   3.248   3.553  -3.668
 4431TIP3   OH219601   3.355   3.631  -4.044
 4431TIP3    H119602   3.414   3.683  -4.103
 4431TIP3    H219603   3.290   3.698  -4.017
 4432TIP3   OH219604   4.349   3.962  -3.027
 4432TIP3    H119605   4.371   3.898  -3.098
 4432TIP3    H219606   4.274   3.916  -2.986
 4433TIP3   OH219607   3.526   3.722  -3.689
 4433TIP3    H119608   3.439   3.738  -3.730
 4433TIP3    H219609   3.551   3.636  -3.728
 4434TIP3   OH219610   3.868   3.776  -3.909
 4434TIP3    H119611   3.963   3.758  -3.919
 4434TIP3    H219612   3.842   3.811  -3.996
 4435TIP3   OH219613   3.731   3.868  -4.156
 4435TIP3    H119614   3.670   3.818  -4.213
 4435TIP3    H219615   3.804   3.889  -4.216
 4436TIP3   OH219616   3.607   4.314  -2.676
 4436TIP3    H119617   3.666   4.363  -2.616
 4436TIP3    H219618   3.528   4.305  -2.618
 4437TIP3   OH219619   3.682   3.482  -3.780
 4437TIP3    H119620   3.630   3.418  -3.728
 4437TIP3    H219621   3.766   3.435  -3.789
 4438TIP3   OH219622   4.039   3.713  -3.179
 4438TIP3    H119623   3.968   3.758  -3.130
 4438TIP3    H219624   4.115   3.728  -3.119
 4439TIP3   OH219625   4.070   4.330  -3.951
 4439TIP3    H119626   3.995   4.288  -3.998
 4439TIP3    H219627   4.043   4.325  -3.858
 4440TIP3   OH219628   3.621   4.255  -3.387
 4440TIP3    H119629   3.679   4.236  -3.463
 4440TIP3    H219630   3.605   4.166  -3.352
 4441TIP3   OH219631   3.310   4.079  -2.854
 4441TIP3    H119632   3.319   4.039  -2.766
 4441TIP3    H219633   3.237   4.029  -2.895
 4442TIP3   OH219634   4.001   4.048  -2.649
 4442TIP3    H119635   3.970   4.021  -2.737
 4442TIP3    H219636   4.097   4.032  -2.655
 4443TIP3   OH219637   3.422   4.086  -4.197
 4443TIP3    H119638   3.476   4.155  -4.157
 4443TIP3    H219639   3.332   4.111  -4.171
 4444TIP3   OH219640   3.435   3.566  -2.888
 4444TIP3    H119641   3.346   3.590  -2.919
 4444TIP3    H219642   3.420   3.477  -2.852
 4445TIP3   OH219643   3.581  -4.393  -4.007
 4445TIP3    H119644   3.490  -4.357  -4.005
 4445TIP3    H219645   3.629  -4.318  -4.045
 4446TIP3   OH219646   4.331   3.593  -2.983
 4446TIP3    H119647   4.388   3.522  -2.955
 4446TIP3    H219648   4.276   3.547  -3.048
 4447TIP3   OH219649   4.118   3.668  -3.803
 4447TIP3    H119650   4.188   3.736  -3.794
 4447TIP3    H219651   4.093   3.663  -3.711
 4448TIP3   OH219652   4.169   3.791  -2.896
 4448TIP3    H119653   4.186   3.830  -2.810
 4448TIP3    H219654   4.231   3.716  -2.899
 4449TIP3   OH219655   4.189   3.392  -3.696
 4449TIP3    H119656   4.188   3.472  -3.642
 4449TIP3    H219657   4.268   3.412  -3.750
 4450TIP3   OH219658   3.775   3.506  -4.086
 4450TIP3    H119659   3.753   3.564  -4.010
 4450TIP3    H219660   3.844   3.450  -4.049
 4451TIP3   OH219661   3.432   3.809  -4.261
 4451TIP3    H119662   3.444   3.904  -4.241
 4451TIP3    H219663   3.338   3.806  -4.287
 4452TIP3   OH219664   3.360   4.306  -2.557
 4452TIP3    H119665   3.349   4.210  -2.569
 4452TIP3    H219666   3.284   4.345  -2.603
 4453TIP3   OH219667   3.956   4.332  -2.610
 4453TIP3    H119668   3.960   4.346  -2.707
 4453TIP3    H219669   3.996   4.244  -2.601
 4454TIP3   OH219670   3.423   4.028  -2.592
 4454TIP3    H119671   3.500   3.968  -2.601
 4454TIP3    H219672   3.421   4.042  -2.496
 4455TIP3   OH219673   3.878   4.159  -4.079
 4455TIP3    H119674   3.812   4.113  -4.026
 4455TIP3    H219675   3.903   4.090  -4.143
 4456TIP3   OH219676   3.799   3.934  -2.855
 4456TIP3    H119677   3.740   4.009  -2.835
 4456TIP3    H219678   3.858   3.973  -2.922
 4457TIP3   OH219679   3.999   3.957  -4.270
 4457TIP3    H119680   3.987   3.955  -4.366
 4457TIP3    H219681   4.092   3.983  -4.263
 4458TIP3   OH219682   4.277   4.197  -2.493
 4458TIP3    H119683   4.348   4.175  -2.553
 4458TIP3    H219684   4.252   4.109  -2.463
 4459TIP3   OH219685   3.858   3.664  -2.740
 4459TIP3    H119686   3.862   3.599  -2.812
 4459TIP3    H219687   3.837   3.746  -2.788
 4460TIP3   OH219688   3.889   3.515  -3.002
 4460TIP3    H119689   3.934   3.563  -3.073
 4460TIP3    H219690   3.797   3.510  -3.034
 4461TIP3   OH219691   4.052   4.060  -2.977
 4461TIP3    H119692   4.133   4.056  -3.029
 4461TIP3    H219693   4.021   4.150  -2.994
 4462TIP3   OH219694   3.667   3.851  -2.566
 4462TIP3    H119695   3.617   3.767  -2.564
 4462TIP3    H219696   3.751   3.823  -2.605
 4463TIP3   OH219697   3.973   3.249  -2.961
 4463TIP3    H119698   3.947   3.342  -2.977
 4463TIP3    H219699   3.906   3.202  -3.016
 4464TIP3   OH219700   4.103   3.694  -2.589
 4464TIP3    H119701   4.069   3.670  -2.502
 4464TIP3    H219702   4.027   3.671  -2.645
 4465TIP3   OH219703   3.540   3.595  -2.579
 4465TIP3    H119704   3.530   3.524  -2.645
 4465TIP3    H219705   3.517   3.546  -2.497
 4466TIP3   OH219706   3.945   3.194  -2.678
 4466TIP3    H119707   4.005   3.118  -2.674
 4466TIP3    H219708   3.941   3.208  -2.775
 4467TIP3   OH219709   4.036   3.375  -2.485
 4467TIP3    H119710   4.008   3.319  -2.560
 4467TIP3    H219711   3.971   3.447  -2.488
 4468TIP3   OH219712   3.274   4.187  -3.259
 4468TIP3    H119713   3.281   4.200  -3.355
 4468TIP3    H219714   3.365   4.160  -3.236
 4469TIP3   OH219715   3.271   3.717  -2.634
 4469TIP3    H119716   3.364   3.689  -2.638
 4469TIP3    H219717   3.226   3.631  -2.633
 4470TIP3   OH219718   3.352   3.529  -3.307
 4470TIP3    H119719   3.390   3.454  -3.358
 4470TIP3    H219720   3.425   3.593  -3.316
 4471TIP3   OH219721   3.201   3.818  -3.253
 4471TIP3    H119722   3.260   3.809  -3.330
 4471TIP3    H219723   3.238   3.896  -3.210
 4472TIP3   OH219724   3.243   3.465  -3.841
 4472TIP3    H119725   3.152   3.454  -3.874
 4472TIP3    H219726   3.289   3.506  -3.916
 4473TIP3   OH219727   3.258   3.338  -3.026
 4473TIP3    H119728   3.180   3.311  -2.976
 4473TIP3    H219729   3.219   3.386  -3.101
 4474TIP3   OH219730   4.252   3.407  -3.406
 4474TIP3    H119731   4.172   3.353  -3.393
 4474TIP3    H219732   4.295   3.362  -3.480
 4475TIP3   OH219733   3.349   3.263  -4.090
 4475TIP3    H119734   3.416   3.324  -4.127
 4475TIP3    H219735   3.334   3.300  -4.002
 4476TIP3   OH219736   3.930   3.293  -3.668
 4476TIP3    H119737   4.026   3.311  -3.671
 4476TIP3    H219738   3.917   3.276  -3.574
 4477TIP3   OH219739   3.527   3.429  -4.233
 4477TIP3    H119740   3.586   3.370  -4.283
 4477TIP3    H219741   3.592   3.483  -4.184
 4478TIP3   OH219742   4.062   3.446  -3.965
 4478TIP3    H119743   4.065   3.388  -3.888
 4478TIP3    H219744   4.061   3.534  -3.923
 4479TIP3   OH219745   3.459   3.326  -2.696
 4479TIP3    H119746   3.420   3.243  -2.664
 4479TIP3    H219747   3.553   3.311  -2.674
 4480TIP3   OH219748   3.700   3.264  -2.526
 4480TIP3    H119749   3.782   3.228  -2.565
 4480TIP3    H219750   3.664   3.184  -2.484
 4481TIP3   OH219751  -3.161  -3.368  -1.741
 4481TIP3    H119752  -3.159  -3.272  -1.728
 4481TIP3    H219753  -3.237  -3.377  -1.801
 4482TIP3   OH219754  -3.277  -3.422  -1.435
 4482TIP3    H119755  -3.276  -3.477  -1.355
 4482TIP3    H219756  -3.300  -3.486  -1.503
 4483TIP3   OH219757  -2.913  -3.148  -1.603
 4483TIP3    H119758  -2.944  -3.217  -1.543
 4483TIP3    H219759  -2.869  -3.088  -1.540
 4484TIP3   OH219760  -3.959  -3.003  -1.422
 4484TIP3    H119761  -3.984  -3.095  -1.439
 4484TIP3    H219762  -3.865  -3.014  -1.400
 4485TIP3   OH219763  -4.199  -3.570  -1.855
 4485TIP3    H119764  -4.260  -3.495  -1.861
 4485TIP3    H219765  -4.259  -3.645  -1.845
 4486TIP3   OH219766  -3.203  -2.613  -1.545
 4486TIP3    H119767  -3.144  -2.682  -1.579
 4486TIP3    H219768  -3.227  -2.649  -1.459
 4487TIP3   OH219769  -3.427  -3.172  -1.378
 4487TIP3    H119770  -3.392  -3.244  -1.434
 4487TIP3    H219771  -3.345  -3.155  -1.326
 4488TIP3   OH219772  -2.570  -4.018  -1.320
 4488TIP3    H119773  -2.537  -3.971  -1.242
 4488TIP3    H219774  -2.506  -3.987  -1.387
 4489TIP3   OH219775  -3.099  -3.741  -1.326
 4489TIP3    H119776  -3.077  -3.835  -1.325
 4489TIP3    H219777  -3.105  -3.724  -1.421
 4490TIP3   OH219778  -3.804  -3.941  -1.614
 4490TIP3    H119779  -3.784  -3.857  -1.660
 4490TIP3    H219780  -3.833  -3.996  -1.689
 4491TIP3   OH219781  -3.011  -3.922  -1.784
 4491TIP3    H119782  -2.950  -3.964  -1.720
 4491TIP3    H219783  -2.947  -3.877  -1.842
 4492TIP3   OH219784  -4.136  -3.626  -1.544
 4492TIP3    H119785  -4.080  -3.697  -1.505
 4492TIP3    H219786  -4.132  -3.652  -1.638
 4493TIP3   OH219787  -3.603  -3.526  -1.611
 4493TIP3    H119788  -3.526  -3.576  -1.579
 4493TIP3    H219789  -3.646  -3.593  -1.669
 4494TIP3   OH219790  -2.478  -3.851  -1.058
 4494TIP3    H119791  -2.552  -3.796  -1.090
 4494TIP3    H219792  -2.513  -3.886  -0.976
 4495TIP3   OH219793  -3.916  -4.046  -1.202
 4495TIP3    H119794  -3.959  -4.005  -1.278
 4495TIP3    H219795  -3.985  -4.033  -1.134
 4496TIP3   OH219796  -3.172  -3.084  -1.864
 4496TIP3    H119797  -3.201  -3.102  -1.953
 4496TIP3    H219798  -3.214  -2.999  -1.845
 4497TIP3   OH219799  -3.627  -3.271  -1.192
 4497TIP3    H119800  -3.698  -3.209  -1.166
 4497TIP3    H219801  -3.562  -3.211  -1.234
 4498TIP3   OH219802  -2.824  -4.014  -1.581
 4498TIP3    H119803  -2.872  -4.059  -1.510
 4498TIP3    H219804  -2.771  -3.950  -1.530
 4499TIP3   OH219805  -3.967  -3.836  -1.419
 4499TIP3    H119806  -3.899  -3.789  -1.366
 4499TIP3    H219807  -3.910  -3.879  -1.486
 4500TIP3   OH219808  -3.826  -3.081  -1.122
 4500TIP3    H119809  -3.829  -2.987  -1.148
 4500TIP3    H219810  -3.914  -3.090  -1.079
 4501TIP3   OH219811  -4.185  -3.122  -2.024
 4501TIP3    H119812  -4.263  -3.102  -2.078
 4501TIP3    H219813  -4.189  -3.054  -1.954
 4502TIP3   OH219814  -2.864  -2.983  -1.340
 4502TIP3    H119815  -2.950  -2.940  -1.355
 4502TIP3    H219816  -2.803  -2.925  -1.389
 4503TIP3   OH219817  -2.808  -4.111  -1.181
 4503TIP3    H119818  -2.888  -4.077  -1.224
 4503TIP3    H219819  -2.741  -4.096  -1.250
 4504TIP3   OH219820  -3.496   4.382  -1.473
 4504TIP3    H119821  -3.501   4.285  -1.469
 4504TIP3    H219822  -3.586   4.411  -1.448
 4505TIP3   OH219823  -3.023  -2.772  -1.700
 4505TIP3    H119824  -2.974  -2.853  -1.725
 4505TIP3    H219825  -2.952  -2.705  -1.704
 4506TIP3   OH219826  -2.876  -2.986  -1.838
 4506TIP3    H119827  -2.930  -3.037  -1.900
 4506TIP3    H219828  -2.874  -3.047  -1.762
 4507TIP3   OH219829  -2.726  -3.105  -0.986
 4507TIP3    H119830  -2.727  -3.167  -1.061
 4507TIP3    H219831  -2.709  -3.020  -1.031
 4508TIP3   OH219832  -3.297  -3.416  -2.016
 4508TIP3    H119833  -3.361  -3.353  -2.054
 4508TIP3    H219834  -3.223  -3.409  -2.079
 4509TIP3   OH219835  -3.267  -3.595  -2.311
 4509TIP3    H119836  -3.199  -3.565  -2.249
 4509TIP3    H219837  -3.214  -3.653  -2.368
 4510TIP3   OH219838  -2.547  -3.491  -1.193
 4510TIP3    H119839  -2.614  -3.420  -1.186
 4510TIP3    H219840  -2.495  -3.456  -1.269
 4511TIP3   OH219841  -2.945  -3.417  -1.908
 4511TIP3    H119842  -3.011  -3.393  -1.839
 4511TIP3    H219843  -2.882  -3.469  -1.855
 4512TIP3   OH219844  -2.961  -3.562  -1.025
 4512TIP3    H119845  -2.954  -3.482  -0.970
 4512TIP3    H219846  -3.022  -3.528  -1.093
 4513TIP3   OH219847  -3.788  -3.334  -1.725
 4513TIP3    H119848  -3.819  -3.378  -1.807
 4513TIP3    H219849  -3.722  -3.398  -1.693
 4514TIP3   OH219850  -3.651  -3.001  -1.455
 4514TIP3    H119851  -3.655  -3.035  -1.546
 4514TIP3    H219852  -3.569  -3.044  -1.422
 4515TIP3   OH219853  -3.755  -3.448  -1.382
 4515TIP3    H119854  -3.690  -3.458  -1.454
 4515TIP3    H219855  -3.706  -3.394  -1.317
 4516TIP3   OH219856  -3.154  -2.897  -1.323
 4516TIP3    H119857  -3.132  -2.835  -1.251
 4516TIP3    H219858  -3.155  -2.984  -1.278
 4517TIP3   OH219859  -3.643  -3.026  -0.897
 4517TIP3    H119860  -3.693  -2.959  -0.848
 4517TIP3    H219861  -3.706  -3.050  -0.967
 4518TIP3   OH219862  -3.049  -3.471  -2.162
 4518TIP3    H119863  -3.002  -3.443  -2.080
 4518TIP3    H219864  -2.999  -3.419  -2.230
 4519TIP3   OH219865  -3.964  -3.383  -1.005
 4519TIP3    H119866  -3.953  -3.329  -0.924
 4519TIP3    H219867  -4.061  -3.395  -1.008
 4520TIP3   OH219868  -3.307  -2.811  -1.805
 4520TIP3    H119869  -3.252  -2.783  -1.730
 4520TIP3    H219870  -3.352  -2.729  -1.831
 4521TIP3   OH219871  -3.836  -2.808  -0.814
 4521TIP3    H119872  -3.843  -2.803  -0.911
 4521TIP3    H219873  -3.927  -2.826  -0.785
 4522TIP3   OH219874  -2.731  -4.320  -2.241
 4522TIP3    H119875  -2.770  -4.324  -2.152
 4522TIP3    H219876  -2.651  -4.270  -2.221
 4523TIP3   OH219877  -3.885  -3.463  -1.981
 4523TIP3    H119878  -3.914  -3.386  -2.032
 4523TIP3    H219879  -3.961  -3.522  -1.988
 4524TIP3   OH219880  -2.566  -2.880  -2.363
 4524TIP3    H119881  -2.550  -2.788  -2.335
 4524TIP3    H219882  -2.480  -2.922  -2.341
 4525TIP3   OH219883  -4.262  -3.210  -1.144
 4525TIP3    H119884  -4.343  -3.198  -1.193
 4525TIP3    H219885  -4.297  -3.254  -1.064
 4526TIP3   OH219886  -4.286  -2.920  -1.415
 4526TIP3    H119887  -4.191  -2.935  -1.407
 4526TIP3    H219888  -4.301  -2.850  -1.350
 4527TIP3   OH219889  -2.440  -2.838  -0.830
 4527TIP3    H119890  -2.448  -2.930  -0.859
 4527TIP3    H219891  -2.532  -2.817  -0.805
 4528TIP3   OH219892  -3.378  -2.920  -0.954
 4528TIP3    H119893  -3.369  -2.837  -0.902
 4528TIP3    H219894  -3.468  -2.949  -0.930
 4529TIP3   OH219895  -3.352  -2.537  -1.957
 4529TIP3    H119896  -3.347  -2.528  -2.054
 4529TIP3    H219897  -3.342  -2.445  -1.927
 4530TIP3   OH219898  -3.976  -2.625  -1.794
 4530TIP3    H119899  -3.953  -2.666  -1.709
 4530TIP3    H219900  -4.057  -2.675  -1.814
 4531TIP3   OH219901  -3.019  -2.591  -2.241
 4531TIP3    H119902  -2.962  -2.657  -2.286
 4531TIP3    H219903  -3.024  -2.629  -2.151
 4532TIP3   OH219904  -3.079  -2.654  -1.963
 4532TIP3    H119905  -3.173  -2.640  -1.943
 4532TIP3    H219906  -3.058  -2.722  -1.896
 4533TIP3   OH219907  -2.764  -3.710  -0.794
 4533TIP3    H119908  -2.812  -3.668  -0.867
 4533TIP3    H219909  -2.756  -3.802  -0.825
 4534TIP3   OH219910  -4.071  -3.042  -0.975
 4534TIP3    H119911  -4.037  -3.097  -0.903
 4534TIP3    H219912  -4.141  -3.097  -1.015
 4535TIP3   OH219913  -3.753  -4.222  -1.387
 4535TIP3    H119914  -3.839  -4.231  -1.431
 4535TIP3    H219915  -3.765  -4.136  -1.344
 4536TIP3   OH219916  -3.290  -4.262  -1.031
 4536TIP3    H119917  -3.270  -4.309  -0.950
 4536TIP3    H219918  -3.385  -4.278  -1.040
 4537TIP3   OH219919  -2.995  -3.864  -0.991
 4537TIP3    H119920  -3.051  -3.874  -0.912
 4537TIP3    H219921  -2.997  -3.768  -1.007
 4538TIP3   OH219922  -2.895  -3.363  -2.362
 4538TIP3    H119923  -2.913  -3.380  -2.457
 4538TIP3    H219924  -2.801  -3.337  -2.366
 4539TIP3   OH219925  -3.329  -3.993  -2.316
 4539TIP3    H119926  -3.383  -4.004  -2.235
 4539TIP3    H219927  -3.378  -4.054  -2.375
 4540TIP3   OH219928  -3.767  -3.718  -1.263
 4540TIP3    H119929  -3.819  -3.704  -1.182
 4540TIP3    H219930  -3.757  -3.627  -1.295
 4541TIP3   OH219931  -3.769  -3.710  -1.772
 4541TIP3    H119932  -3.864  -3.717  -1.791
 4541TIP3    H219933  -3.732  -3.726  -1.861
 4542TIP3   OH219934  -3.207  -3.652  -1.898
 4542TIP3    H119935  -3.247  -3.569  -1.930
 4542TIP3    H219936  -3.138  -3.667  -1.965
 4543TIP3   OH219937  -3.288  -3.632  -0.763
 4543TIP3    H119938  -3.338  -3.707  -0.725
 4543TIP3    H219939  -3.201  -3.642  -0.721
 4544TIP3   OH219940  -3.123  -3.712  -1.618
 4544TIP3    H119941  -3.150  -3.653  -1.691
 4544TIP3    H219942  -3.101  -3.792  -1.669
 4545TIP3   OH219943  -4.045  -3.685  -1.097
 4545TIP3    H119944  -3.991  -3.647  -1.027
 4545TIP3    H219945  -4.053  -3.778  -1.071
 4546TIP3   OH219946  -3.690  -3.940  -2.420
 4546TIP3    H119947  -3.723  -3.978  -2.337
 4546TIP3    H219948  -3.769  -3.928  -2.473
 4547TIP3   OH219949  -4.321  -3.928  -1.709
 4547TIP3    H119950  -4.300  -3.964  -1.620
 4547TIP3    H219951  -4.302  -4.002  -1.766
 4548TIP3   OH219952  -4.213  -3.877  -2.124
 4548TIP3    H119953  -4.155  -3.861  -2.201
 4548TIP3    H219954  -4.300  -3.864  -2.164
 4549TIP3   OH219955  -3.217  -3.545  -1.175
 4549TIP3    H119956  -3.169  -3.616  -1.223
 4549TIP3    H219957  -3.240  -3.590  -1.093
 4550TIP3   OH219958  -3.490  -3.941  -1.675
 4550TIP3    H119959  -3.583  -3.961  -1.653
 4550TIP3    H219960  -3.445  -3.971  -1.594
 4551TIP3   OH219961  -4.032  -3.826  -1.811
 4551TIP3    H119962  -4.117  -3.821  -1.856
 4551TIP3    H219963  -3.997  -3.911  -1.842
 4552TIP3   OH219964  -3.672  -3.791  -2.035
 4552TIP3    H119965  -3.575  -3.786  -2.029
 4552TIP3    H219966  -3.694  -3.730  -2.106
 4553TIP3   OH219967  -3.056  -4.033  -1.370
 4553TIP3    H119968  -3.120  -4.035  -1.296
 4553TIP3    H219969  -3.114  -4.063  -1.442
 4554TIP3   OH219970  -3.826  -3.668  -2.261
 4554TIP3    H119971  -3.882  -3.700  -2.334
 4554TIP3    H219972  -3.743  -3.647  -2.307
 4555TIP3   OH219973  -2.752  -2.455  -0.704
 4555TIP3    H119974  -2.727  -2.412  -0.787
 4555TIP3    H219975  -2.682  -2.425  -0.644
 4556TIP3   OH219976  -3.952  -3.200  -0.766
 4556TIP3    H119977  -3.889  -3.196  -0.691
 4556TIP3    H219978  -4.036  -3.188  -0.716
 4557TIP3   OH219979  -3.390  -3.694  -1.490
 4557TIP3    H119980  -3.316  -3.734  -1.537
 4557TIP3    H219981  -3.404  -3.756  -1.416
 4558TIP3   OH219982  -3.880  -4.061  -1.866
 4558TIP3    H119983  -3.921  -4.148  -1.853
 4558TIP3    H219984  -3.794  -4.084  -1.903
 4559TIP3   OH219985  -3.493  -3.851  -1.262
 4559TIP3    H119986  -3.567  -3.789  -1.263
 4559TIP3    H219987  -3.441  -3.823  -1.184
 4560TIP3   OH219988  -3.479  -3.208  -2.076
 4560TIP3    H119989  -3.555  -3.260  -2.110
 4560TIP3    H219990  -3.497  -3.204  -1.979
 4561TIP3   OH219991  -2.741  -3.282  -1.215
 4561TIP3    H119992  -2.697  -3.227  -1.281
 4561TIP3    H219993  -2.829  -3.292  -1.255
 4562TIP3   OH219994  -3.061  -3.931  -2.313
 4562TIP3    H119995  -3.159  -3.938  -2.310
 4562TIP3    H219996  -3.041  -3.863  -2.246
 4563TIP3   OH219997  -3.320  -3.212  -0.942
 4563TIP3    H119998  -3.341  -3.238  -0.852
 4563TIP3    H219999  -3.342  -3.117  -0.943
 4564TIP3   OH220000  -2.996  -3.749  -2.099
 4564TIP3    H120001  -2.910  -3.763  -2.054
 4564TIP3    H220002  -2.985  -3.659  -2.135
 4565TIP3   OH220003  -3.985  -3.314  -1.485
 4565TIP3    H120004  -3.945  -3.288  -1.570
 4565TIP3    H220005  -3.909  -3.363  -1.446
 4566TIP3   OH220006  -3.238  -3.073  -2.183
 4566TIP3    H120007  -3.263  -2.987  -2.144
 4566TIP3    H220008  -3.313  -3.128  -2.155
 4567TIP3   OH220009  -4.243  -3.431  -0.941
 4567TIP3    H120010  -4.227  -3.491  -0.866
 4567TIP3    H220011  -4.295  -3.486  -1.002
 4568TIP3   OH220012  -3.542  -3.496  -0.772
 4568TIP3    H120013  -3.567  -3.515  -0.864
 4568TIP3    H220014  -3.448  -3.521  -0.774
 4569TIP3   OH220015  -3.089  -2.955  -0.995
 4569TIP3    H120016  -3.185  -2.940  -1.002
 4569TIP3    H220017  -3.069  -2.923  -0.905
 4570TIP3   OH220018  -2.534  -3.746  -2.118
 4570TIP3    H120019  -2.591  -3.764  -2.196
 4570TIP3    H220020  -2.522  -3.650  -2.131
 4571TIP3   OH220021  -2.490  -3.144  -0.838
 4571TIP3    H120022  -2.583  -3.118  -0.857
 4571TIP3    H220023  -2.457  -3.158  -0.929
 4572TIP3   OH220024  -2.724  -2.888  -2.117
 4572TIP3    H120025  -2.737  -2.958  -2.052
 4572TIP3    H220026  -2.656  -2.924  -2.175
 4573TIP3   OH220027  -2.987  -3.352  -1.367
 4573TIP3    H120028  -3.080  -3.365  -1.393
 4573TIP3    H220029  -2.943  -3.422  -1.418
 4574TIP3   OH220030  -3.729  -2.941  -1.764
 4574TIP3    H120031  -3.684  -2.857  -1.778
 4574TIP3    H220032  -3.819  -2.920  -1.793
 4575TIP3   OH220033  -4.155  -3.447  -2.289
 4575TIP3    H120034  -4.081  -3.392  -2.256
 4575TIP3    H220035  -4.227  -3.384  -2.282
 4576TIP3   OH220036  -3.545  -3.174  -1.806
 4576TIP3    H120037  -3.569  -3.082  -1.790
 4576TIP3    H220038  -3.616  -3.222  -1.761
 4577TIP3   OH220039  -3.527  -2.746  -1.169
 4577TIP3    H120040  -3.470  -2.673  -1.198
 4577TIP3    H220041  -3.464  -2.798  -1.116
 4578TIP3   OH220042  -3.682  -2.652  -1.845
 4578TIP3    H120043  -3.777  -2.636  -1.838
 4578TIP3    H220044  -3.646  -2.564  -1.821
 4579TIP3   OH220045  -3.187  -3.174  -1.215
 4579TIP3    H120046  -3.211  -3.199  -1.124
 4579TIP3    H220047  -3.109  -3.230  -1.232
 4580TIP3   OH220048  -2.971  -3.043  -2.322
 4580TIP3    H120049  -2.925  -3.084  -2.246
 4580TIP3    H220050  -3.063  -3.057  -2.293
 4581TIP3   OH220051  -2.898  -2.712  -0.968
 4581TIP3    H120052  -2.970  -2.757  -1.017
 4581TIP3    H220053  -2.878  -2.637  -1.027
 4582TIP3   OH220054  -2.496  -2.615  -2.268
 4582TIP3    H120055  -2.426  -2.550  -2.286
 4582TIP3    H220056  -2.572  -2.554  -2.263
 4583TIP3   OH220057  -4.103  -3.956  -1.012
 4583TIP3    H120058  -4.191  -3.916  -1.006
 4583TIP3    H220059  -4.117  -4.042  -0.965
 4584TIP3   OH220060  -2.874  -3.182  -2.083
 4584TIP3    H120061  -2.898  -3.254  -2.021
 4584TIP3    H220062  -2.777  -3.181  -2.073
 4585TIP3   OH220063  -4.129  -2.801  -1.160
 4585TIP3    H120064  -4.103  -2.893  -1.147
 4585TIP3    H220065  -4.097  -2.762  -1.077
 4586TIP3   OH220066  -3.546  -2.937  -2.464
 4586TIP3    H120067  -3.514  -3.016  -2.512
 4586TIP3    H220068  -3.586  -2.977  -2.385
 4587TIP3   OH220069  -3.663  -2.986  -2.190
 4587TIP3    H120070  -3.609  -3.038  -2.129
 4587TIP3    H220071  -3.647  -2.894  -2.159
 4588TIP3   OH220072  -3.989  -3.243  -2.159
 4588TIP3    H120073  -4.057  -3.202  -2.101
 4588TIP3    H220074  -3.937  -3.164  -2.181
 4589TIP3   OH220075  -3.217  -4.007  -1.140
 4589TIP3    H120076  -3.152  -3.980  -1.074
 4589TIP3    H220077  -3.250  -4.092  -1.106
 4590TIP3   OH220078  -3.136  -4.056  -2.026
 4590TIP3    H120079  -3.128  -3.996  -2.102
 4590TIP3    H220080  -3.099  -4.002  -1.954
 4591TIP3   OH220081  -3.368  -2.825  -2.130
 4591TIP3    H120082  -3.447  -2.772  -2.110
 4591TIP3    H220083  -3.327  -2.773  -2.200
 4592TIP3   OH220084  -3.403  -3.852  -1.927
 4592TIP3    H120085  -3.329  -3.789  -1.914
 4592TIP3    H220086  -3.432  -3.867  -1.835
 4593TIP3   OH220087  -3.372  -3.762  -1.013
 4593TIP3    H120088  -3.360  -3.710  -0.931
 4593TIP3    H220089  -3.313  -3.837  -0.998
 4594TIP3   OH220090  -3.332  -4.174  -1.828
 4594TIP3    H120091  -3.364  -4.099  -1.774
 4594TIP3    H220092  -3.275  -4.128  -1.893
 4595TIP3   OH220093  -3.647  -2.714  -2.129
 4595TIP3    H120094  -3.651  -2.633  -2.184
 4595TIP3    H220095  -3.658  -2.680  -2.039
 4596TIP3   OH220096  -3.776  -4.050  -2.175
 4596TIP3    H120097  -3.771  -3.967  -2.124
 4596TIP3    H220098  -3.688  -4.088  -2.153
 4597TIP3   OH220099  -2.732  -3.963  -0.932
 4597TIP3    H120100  -2.828  -3.953  -0.943
 4597TIP3    H220101  -2.709  -3.987  -1.023
 4598TIP3   OH220102  -2.890  -3.574  -1.522
 4598TIP3    H120103  -2.971  -3.621  -1.550
 4598TIP3    H220104  -2.840  -3.645  -1.476
 4599TIP3   OH220105  -3.932  -2.959  -2.275
 4599TIP3    H120106  -3.857  -2.914  -2.234
 4599TIP3    H220107  -3.885  -3.014  -2.339
 4600TIP3   OH220108  -4.119  -3.749  -2.356
 4600TIP3    H120109  -4.105  -3.654  -2.342
 4600TIP3    H220110  -4.192  -3.753  -2.419
 4601TIP3   OH220111  -2.799  -2.680  -1.373
 4601TIP3    H120112  -2.798  -2.600  -1.429
 4601TIP3    H220113  -2.705  -2.701  -1.367
 4602TIP3   OH220114  -4.078  -4.237  -1.465
 4602TIP3    H120115  -4.058  -4.259  -1.557
 4602TIP3    H220116  -4.112  -4.322  -1.433
 4603TIP3   OH220117  -4.138  -2.883  -1.859
 4603TIP3    H120118  -4.228  -2.846  -1.854
 4603TIP3    H220119  -4.103  -2.841  -1.939
 4604TIP3   OH220120  -4.214  -2.604  -0.738
 4604TIP3    H120121  -4.150  -2.604  -0.664
 4604TIP3    H220122  -4.215  -2.701  -0.752
 4605TIP3   OH220123  -3.726  -2.691  -0.565
 4605TIP3    H120124  -3.657  -2.755  -0.543
 4605TIP3    H220125  -3.750  -2.718  -0.655
 4606TIP3   OH220126  -3.322  -2.765  -2.415
 4606TIP3    H120127  -3.398  -2.827  -2.423
 4606TIP3    H220128  -3.251  -2.821  -2.451
 4607TIP3   OH220129  -3.084  -2.863  -0.704
 4607TIP3    H120130  -3.117  -2.947  -0.668
 4607TIP3    H220131  -3.011  -2.842  -0.643
 4608TIP3   OH220132  -2.861  -2.777  -2.405
 4608TIP3    H120133  -2.843  -2.854  -2.347
 4608TIP3    H220134  -2.778  -2.773  -2.457
 4609TIP3   OH220135  -4.199  -3.200  -0.676
 4609TIP3    H120136  -4.189  -3.289  -0.711
 4609TIP3    H220137  -4.287  -3.174  -0.706
 4610TIP3   OH220138  -3.781  -3.195  -2.429
 4610TIP3    H120139  -3.761  -3.252  -2.353
 4610TIP3    H220140  -3.695  -3.195  -2.475
 4611TIP3   OH220141  -3.541  -3.217  -0.696
 4611TIP3    H120142  -3.568  -3.182  -0.783
 4611TIP3    H220143  -3.532  -3.313  -0.712
 4612TIP3   OH220144  -3.259  -3.061  -2.468
 4612TIP3    H120145  -3.259  -3.064  -2.371
 4612TIP3    H220146  -3.261  -3.157  -2.489
 4613TIP3   OH220147  -3.000  -3.253  -0.959
 4613TIP3    H120148  -2.920  -3.201  -0.978
 4613TIP3    H220149  -3.067  -3.182  -0.962
 4614TIP3   OH220150  -4.136  -3.528  -0.701
 4614TIP3    H120151  -4.057  -3.584  -0.714
 4614TIP3    H220152  -4.123  -3.499  -0.610
 4615TIP3   OH220153  -3.675  -3.383  -2.197
 4615TIP3    H120154  -3.733  -3.435  -2.139
 4615TIP3    H220155  -3.642  -3.452  -2.259
 4616TIP3   OH220156  -3.761  -3.610  -0.982
 4616TIP3    H120157  -3.803  -3.530  -0.947
 4616TIP3    H220158  -3.688  -3.572  -1.033
 4617TIP3   OH220159  -3.576  -3.583  -2.370
 4617TIP3    H120160  -3.578  -3.574  -2.467
 4617TIP3    H220161  -3.480  -3.588  -2.353
 4618TIP3   OH220162  -3.220  -3.338  -0.616
 4618TIP3    H120163  -3.129  -3.355  -0.646
 4618TIP3    H220164  -3.242  -3.422  -0.573
 4619TIP3   OH220165  -2.625  -3.332  -2.438
 4619TIP3    H120166  -2.636  -3.373  -2.525
 4619TIP3    H220167  -2.635  -3.237  -2.461
 4620TIP3   OH220168  -3.694  -3.882  -0.859
 4620TIP3    H120169  -3.681  -3.946  -0.932
 4620TIP3    H220170  -3.712  -3.800  -0.909
 4621TIP3   OH220171  -3.652  -4.038  -1.117
 4621TIP3    H120172  -3.599  -3.982  -1.178
 4621TIP3    H220173  -3.743  -4.026  -1.152
 4622TIP3   OH220174  -3.507  -3.490  -1.071
 4622TIP3    H120175  -3.421  -3.499  -1.114
 4622TIP3    H220176  -3.533  -3.401  -1.101
 4623TIP3   OH220177  -3.046  -3.693  -0.593
 4623TIP3    H120178  -3.023  -3.786  -0.578
 4623TIP3    H220179  -2.958  -3.652  -0.598
 4624TIP3   OH220180  -2.948  -3.415  -0.745
 4624TIP3    H120181  -2.981  -3.353  -0.813
 4624TIP3    H220182  -2.857  -3.428  -0.779
 4625TIP3   OH220183  -3.879  -3.690  -0.681
 4625TIP3    H120184  -3.930  -3.773  -0.679
 4625TIP3    H220185  -3.795  -3.720  -0.720
 4626TIP3   OH220186  -3.607  -4.277  -0.994
 4626TIP3    H120187  -3.591  -4.188  -1.030
 4626TIP3    H220188  -3.699  -4.287  -1.019
 4627TIP3   OH220189  -3.457  -3.844  -0.699
 4627TIP3    H120190  -3.487  -3.871  -0.611
 4627TIP3    H220191  -3.538  -3.864  -0.751
 4628TIP3   OH220192  -3.198  -3.945  -0.801
 4628TIP3    H120193  -3.287  -3.931  -0.764
 4628TIP3    H220194  -3.160  -4.010  -0.739
 4629TIP3   OH220195  -3.027  -4.137  -0.633
 4629TIP3    H120196  -3.040  -4.224  -0.594
 4629TIP3    H220197  -3.039  -4.077  -0.558
 4630TIP3   OH220198  -4.011  -3.951  -0.693
 4630TIP3    H120199  -4.024  -4.022  -0.758
 4630TIP3    H220200  -4.037  -3.994  -0.610
 4631TIP3   OH220201  -3.495  -4.146  -0.589
 4631TIP3    H120202  -3.516  -4.229  -0.636
 4631TIP3    H220203  -3.580  -4.100  -0.585
 4632TIP3   OH220204  -3.599  -2.461  -2.261
 4632TIP3    H120205  -3.504  -2.448  -2.247
 4632TIP3    H220206  -3.611  -2.414  -2.344
 4633TIP3   OH220207  -4.199  -2.970  -2.352
 4633TIP3    H120208  -4.121  -2.975  -2.294
 4633TIP3    H220209  -4.216  -3.063  -2.373
 4634TIP3   OH220210  -4.272  -2.690  -1.640
 4634TIP3    H120211  -4.276  -2.780  -1.603
 4634TIP3    H220212  -4.243  -2.639  -1.564
 4635TIP3   OH220213  -2.513  -2.540  -1.334
 4635TIP3    H120214  -2.501  -2.586  -1.249
 4635TIP3    H220215  -2.423  -2.545  -1.369
 4636TIP3   OH220216  -2.528  -2.627  -1.041
 4636TIP3    H120217  -2.576  -2.701  -1.084
 4636TIP3    H220218  -2.467  -2.678  -0.985
 4637TIP3   OH220219  -2.726  -3.084  -0.616
 4637TIP3    H120220  -2.814  -3.075  -0.576
 4637TIP3    H220221  -2.680  -3.003  -0.587
 4638TIP3   OH220222  -2.585  -3.195  -2.044
 4638TIP3    H120223  -2.495  -3.162  -2.026
 4638TIP3    H220224  -2.594  -3.258  -1.970
 4639TIP3   OH220225  -2.541  -3.400  -1.850
 4639TIP3    H120226  -2.606  -3.454  -1.802
 4639TIP3    H220227  -2.472  -3.384  -1.782
 4640TIP3   OH220228  -2.695  -2.853  -1.115
 4640TIP3    H120229  -2.778  -2.821  -1.075
 4640TIP3    H220230  -2.725  -2.889  -1.201
 4641TIP3   OH220231  -2.513  -3.455  -2.189
 4641TIP3    H120232  -2.565  -3.423  -2.266
 4641TIP3    H220233  -2.527  -3.382  -2.126
 4642TIP3   OH220234  -2.690  -3.698  -2.363
 4642TIP3    H120235  -2.660  -3.638  -2.432
 4642TIP3    H220236  -2.712  -3.779  -2.412
 4643TIP3   OH220237  -2.750  -3.584  -1.765
 4643TIP3    H120238  -2.755  -3.679  -1.781
 4643TIP3    H220239  -2.784  -3.575  -1.674
 4644TIP3   OH220240  -2.687  -3.393  -0.849
 4644TIP3    H120241  -2.612  -3.453  -0.834
 4644TIP3    H220242  -2.643  -3.310  -0.872
 4645TIP3   OH220243  -2.532  -3.584  -0.725
 4645TIP3    H120244  -2.610  -3.637  -0.751
 4645TIP3    H220245  -2.461  -3.650  -0.729
 4646TIP3   OH220246  -2.745  -3.969  -2.446
 4646TIP3    H120247  -2.685  -4.012  -2.383
 4646TIP3    H220248  -2.827  -4.019  -2.434
 4647TIP3   OH220249  -2.765  -3.828  -1.946
 4647TIP3    H120250  -2.746  -3.924  -1.940
 4647TIP3    H220251  -2.682  -3.797  -1.986
 4648TIP3   OH220252  -2.737  -3.774  -1.406
 4648TIP3    H120253  -2.640  -3.766  -1.409
 4648TIP3    H220254  -2.751  -3.774  -1.310
 4649TIP3   OH220255  -2.723  -3.705  -1.120
 4649TIP3    H120256  -2.806  -3.662  -1.095
 4649TIP3    H220257  -2.667  -3.629  -1.144
 4650TIP3   OH220258  -4.285  -3.840  -0.760
 4650TIP3    H120259  -4.196  -3.880  -0.758
 4650TIP3    H220260  -4.344  -3.914  -0.739
 4651TIP3   OH220261  -2.507  -4.277  -0.543
 4651TIP3    H120262  -2.455  -4.355  -0.566
 4651TIP3    H220263  -2.505  -4.218  -0.621
 4652TIP3   OH220264  -2.733  -4.099  -1.937
 4652TIP3    H120265  -2.708  -4.149  -1.857
 4652TIP3    H220266  -2.795  -4.161  -1.980
 4653TIP3   OH220267  -4.195  -3.991  -1.457
 4653TIP3    H120268  -4.160  -4.082  -1.444
 4653TIP3    H220269  -4.118  -3.937  -1.432
 4654TIP3   OH220270  -4.312  -3.741  -1.352
 4654TIP3    H120271  -4.292  -3.797  -1.428
 4654TIP3    H220272  -4.316  -3.654  -1.392
 4655TIP3   OH220273  -2.528  -4.112  -0.758
 4655TIP3    H120274  -2.612  -4.064  -0.751
 4655TIP3    H220275  -2.536  -4.146  -0.849
 4656TIP3   OH220276  -2.521  -4.056  -2.280
 4656TIP3    H120277  -2.502  -4.143  -2.321
 4656TIP3    H220278  -2.434  -4.015  -2.273
 4657TIP3   OH220279  -4.316  -4.107  -2.005
 4657TIP3    H120280  -4.399  -4.070  -2.037
 4657TIP3    H220281  -4.253  -4.038  -2.035
 4658TIP3   OH220282  -2.828  -2.564  -1.751
 4658TIP3    H120283  -2.784  -2.592  -1.833
 4658TIP3    H220284  -2.753  -2.538  -1.697
 4659TIP3   OH220285  -4.290  -4.163  -1.170
 4659TIP3    H120286  -4.346  -4.221  -1.114
 4659TIP3    H220287  -4.331  -4.171  -1.257
 4660TIP3   OH220288  -4.118  -2.862  -0.703
 4660TIP3    H120289  -4.169  -2.926  -0.754
 4660TIP3    H220290  -4.132  -2.896  -0.612
 4661TIP3   OH220291  -3.802  -2.797  -1.113
 4661TIP3    H120292  -3.832  -2.712  -1.151
 4661TIP3    H220293  -3.706  -2.789  -1.130
 4662TIP3   OH220294  -3.353  -2.667  -0.812
 4662TIP3    H120295  -3.335  -2.685  -0.719
 4662TIP3    H220296  -3.270  -2.623  -0.839
 4663TIP3   OH220297  -3.125  -2.522  -0.889
 4663TIP3    H120298  -3.054  -2.583  -0.915
 4663TIP3    H220299  -3.092  -2.491  -0.802
 4664TIP3   OH220300  -2.666  -4.277  -0.968
 4664TIP3    H120301  -2.716  -4.215  -1.024
 4664TIP3    H220302  -2.641  -4.343  -1.035
 4665TIP3   OH220303  -4.071  -2.493  -1.089
 4665TIP3    H120304  -4.139  -2.441  -1.137
 4665TIP3    H220305  -4.101  -2.484  -0.998
 4666TIP3   OH220306  -3.819  -2.525  -1.225
 4666TIP3    H120307  -3.905  -2.505  -1.183
 4666TIP3    H220308  -3.814  -2.458  -1.295
 4667TIP3   OH220309  -3.343  -2.526  -1.269
 4667TIP3    H120310  -3.378  -2.480  -1.347
 4667TIP3    H220311  -3.331  -2.451  -1.207
 4668TIP3   OH220312  -3.108  -2.655  -1.175
 4668TIP3    H120313  -3.191  -2.618  -1.211
 4668TIP3    H220314  -3.048  -2.579  -1.181
 4669TIP3   OH220315  -2.858  -2.482  -1.158
 4669TIP3    H120316  -2.858  -2.388  -1.184
 4669TIP3    H220317  -2.826  -2.524  -1.239
 4670TIP3   OH220318  -4.128  -2.621  -1.392
 4670TIP3    H120319  -4.133  -2.662  -1.304
 4670TIP3    H220320  -4.048  -2.663  -1.428
 4671TIP3   OH220321  -3.910  -2.743  -1.538
 4671TIP3    H120322  -3.923  -2.837  -1.513
 4671TIP3    H220323  -3.819  -2.727  -1.508
 4672TIP3   OH220324  -3.633  -2.701  -1.453
 4672TIP3    H120325  -3.611  -2.793  -1.477
 4672TIP3    H220326  -3.622  -2.705  -1.357
 4673TIP3   OH220327  -3.301  -4.112  -1.526
 4673TIP3    H120328  -3.363  -4.182  -1.497
 4673TIP3    H220329  -3.239  -4.161  -1.582
 4674TIP3   OH220330  -2.772  -4.332  -1.480
 4674TIP3    H120331  -2.712  -4.289  -1.544
 4674TIP3    H220332  -2.859  -4.303  -1.512
 4675TIP3   OH220333  -2.579  -4.224  -1.699
 4675TIP3    H120334  -2.519  -4.245  -1.771
 4675TIP3    H220335  -2.557  -4.130  -1.683
 4676TIP3   OH220336  -4.073  -4.282  -1.793
 4676TIP3    H120337  -4.160  -4.317  -1.816
 4676TIP3    H220338  -4.026  -4.359  -1.760
 4677TIP3   OH220339  -4.208  -4.301  -2.186
 4677TIP3    H120340  -4.169  -4.235  -2.246
 4677TIP3    H220341  -4.259  -4.244  -2.126
 4678TIP3   OH220342  -3.615  -4.219  -1.761
 4678TIP3    H120343  -3.523  -4.233  -1.788
 4678TIP3    H220344  -3.634  -4.298  -1.708
 4679TIP3   OH220345  -3.062  -4.264  -1.631
 4679TIP3    H120346  -3.025  -4.261  -1.720
 4679TIP3    H220347  -3.072  -4.359  -1.613
 4680TIP3   OH220348  -2.950  -4.272  -2.031
 4680TIP3    H120349  -3.025  -4.213  -2.054
 4680TIP3    H220350  -2.989  -4.360  -2.037
 4681TIP3   OH220351  -4.189  -2.692  -2.083
 4681TIP3    H120352  -4.249  -2.710  -2.156
 4681TIP3    H220353  -4.182  -2.596  -2.086
 4682TIP3   OH220354  -4.009  -4.113  -2.326
 4682TIP3    H120355  -3.944  -4.157  -2.383
 4682TIP3    H220356  -3.950  -4.070  -2.261
 4683TIP3   OH220357  -3.493  -4.059  -2.095
 4683TIP3    H120358  -3.482  -4.143  -2.046
 4683TIP3    H220359  -3.470  -3.991  -2.029
 4684TIP3   OH220360  -3.297  -2.515  -2.250
 4684TIP3    H120361  -3.200  -2.511  -2.256
 4684TIP3    H220362  -3.315  -2.581  -2.319
 4685TIP3   OH220363  -2.647  -2.610  -1.994
 4685TIP3    H120364  -2.669  -2.693  -2.039
 4685TIP3    H220365  -2.650  -2.546  -2.067
 4686TIP3   OH220366  -4.106  -4.171  -0.847
 4686TIP3    H120367  -4.160  -4.238  -0.800
 4686TIP3    H220368  -4.026  -4.224  -0.861
 4687TIP3   OH220369  -3.808  -4.278  -0.587
 4687TIP3    H120370  -3.722  -4.304  -0.627
 4687TIP3    H220371  -3.828  -4.355  -0.533
 4688TIP3   OH220372  -4.013  -2.593  -2.386
 4688TIP3    H120373  -4.040  -2.574  -2.295
 4688TIP3    H220374  -3.940  -2.657  -2.373
 4689TIP3   OH220375  -2.697  -2.734  -0.753
 4689TIP3    H120376  -2.768  -2.753  -0.817
 4689TIP3    H220377  -2.712  -2.640  -0.737
 4690TIP3   OH220378  -1.272  -3.367  -1.745
 4690TIP3    H120379  -1.276  -3.272  -1.727
 4690TIP3    H220380  -1.353  -3.380  -1.797
 4691TIP3   OH220381  -1.388  -3.423  -1.436
 4691TIP3    H120382  -1.390  -3.475  -1.354
 4691TIP3    H220383  -1.419  -3.488  -1.501
 4692TIP3   OH220384  -2.143  -3.464  -1.270
 4692TIP3    H120385  -2.146  -3.537  -1.206
 4692TIP3    H220386  -2.074  -3.408  -1.232
 4693TIP3   OH220387  -1.019  -3.146  -1.602
 4693TIP3    H120388  -1.057  -3.217  -1.549
 4693TIP3    H220389  -0.993  -3.084  -1.531
 4694TIP3   OH220390  -2.060  -2.991  -1.420
 4694TIP3    H120391  -2.106  -3.075  -1.440
 4694TIP3    H220392  -1.972  -3.023  -1.398
 4695TIP3   OH220393  -2.376  -3.665  -1.881
 4695TIP3    H120394  -2.409  -3.575  -1.864
 4695TIP3    H220395  -2.453  -3.707  -1.921
 4696TIP3   OH220396  -2.300  -3.418  -1.701
 4696TIP3    H120397  -2.285  -3.489  -1.636
 4696TIP3    H220398  -2.211  -3.402  -1.735
 4697TIP3   OH220399  -1.308  -2.606  -1.544
 4697TIP3    H120400  -1.257  -2.684  -1.573
 4697TIP3    H220401  -1.346  -2.638  -1.461
 4698TIP3   OH220402  -1.539  -3.172  -1.380
 4698TIP3    H120403  -1.506  -3.245  -1.434
 4698TIP3    H220404  -1.460  -3.156  -1.325
 4699TIP3   OH220405  -0.685  -4.017  -1.322
 4699TIP3    H120406  -0.653  -3.974  -1.241
 4699TIP3    H220407  -0.619  -3.985  -1.386
 4700TIP3   OH220408  -1.211  -3.740  -1.326
 4700TIP3    H120409  -1.192  -3.836  -1.325
 4700TIP3    H220410  -1.221  -3.724  -1.421
 4701TIP3   OH220411  -1.916  -3.941  -1.617
 4701TIP3    H120412  -1.899  -3.856  -1.661
 4701TIP3    H220413  -1.949  -3.994  -1.692
 4702TIP3   OH220414  -1.126  -3.922  -1.784
 4702TIP3    H120415  -1.066  -3.965  -1.720
 4702TIP3    H220416  -1.062  -3.877  -1.841
 4703TIP3   OH220417  -2.245  -3.666  -1.567
 4703TIP3    H120418  -2.183  -3.713  -1.510
 4703TIP3    H220419  -2.234  -3.713  -1.652
 4704TIP3   OH220420  -1.706  -3.525  -1.625
 4704TIP3    H120421  -1.636  -3.580  -1.583
 4704TIP3    H220422  -1.757  -3.592  -1.672
 4705TIP3   OH220423  -0.592  -3.849  -1.059
 4705TIP3    H120424  -0.668  -3.796  -1.089
 4705TIP3    H220425  -0.627  -3.886  -0.976
 4706TIP3   OH220426  -2.036  -4.057  -1.202
 4706TIP3    H120427  -2.068  -4.000  -1.273
 4706TIP3    H220428  -2.102  -4.036  -1.133
 4707TIP3   OH220429  -1.277  -3.075  -1.868
 4707TIP3    H120430  -1.323  -3.108  -1.946
 4707TIP3    H220431  -1.328  -2.996  -1.845
 4708TIP3   OH220432  -1.743  -3.270  -1.193
 4708TIP3    H120433  -1.815  -3.210  -1.164
 4708TIP3    H220434  -1.679  -3.207  -1.232
 4709TIP3   OH220435  -0.936  -4.014  -1.581
 4709TIP3    H120436  -0.987  -4.060  -1.513
 4709TIP3    H220437  -0.886  -3.950  -1.528
 4710TIP3   OH220438  -2.073  -3.858  -1.406
 4710TIP3    H120439  -2.012  -3.795  -1.362
 4710TIP3    H220440  -2.016  -3.890  -1.479
 4711TIP3   OH220441  -1.943  -3.082  -1.117
 4711TIP3    H120442  -1.944  -2.989  -1.149
 4711TIP3    H220443  -2.030  -3.085  -1.074
 4712TIP3   OH220444  -2.308  -3.113  -2.032
 4712TIP3    H120445  -2.331  -3.059  -2.109
 4712TIP3    H220446  -2.291  -3.046  -1.962
 4713TIP3   OH220447  -0.967  -2.964  -1.366
 4713TIP3    H120448  -1.062  -2.949  -1.352
 4713TIP3    H220449  -0.938  -2.874  -1.388
 4714TIP3   OH220450  -0.922  -4.112  -1.181
 4714TIP3    H120451  -1.003  -4.078  -1.223
 4714TIP3    H220452  -0.856  -4.096  -1.251
 4715TIP3   OH220453  -1.612   4.381  -1.477
 4715TIP3    H120454  -1.616   4.285  -1.469
 4715TIP3    H220455  -1.700   4.412  -1.447
 4716TIP3   OH220456  -1.137  -2.782  -1.685
 4716TIP3    H120457  -1.090  -2.859  -1.723
 4716TIP3    H220458  -1.084  -2.708  -1.716
 4717TIP3   OH220459  -0.987  -2.989  -1.838
 4717TIP3    H120460  -1.048  -3.035  -1.898
 4717TIP3    H220461  -0.992  -3.048  -1.760
 4718TIP3   OH220462  -0.847  -3.105  -0.986
 4718TIP3    H120463  -0.845  -3.166  -1.061
 4718TIP3    H220464  -0.822  -3.020  -1.025
 4719TIP3   OH220465  -1.410  -3.415  -2.015
 4719TIP3    H120466  -1.477  -3.355  -2.051
 4719TIP3    H220467  -1.340  -3.410  -2.082
 4720TIP3   OH220468  -1.381  -3.594  -2.312
 4720TIP3    H120469  -1.312  -3.565  -2.249
 4720TIP3    H220470  -1.330  -3.654  -2.368
 4721TIP3   OH220471  -0.661  -3.490  -1.193
 4721TIP3    H120472  -0.733  -3.425  -1.182
 4721TIP3    H220473  -0.613  -3.452  -1.269
 4722TIP3   OH220474  -1.057  -3.414  -1.908
 4722TIP3    H120475  -1.127  -3.392  -1.842
 4722TIP3    H220476  -0.999  -3.471  -1.855
 4723TIP3   OH220477  -1.075  -3.563  -1.025
 4723TIP3    H120478  -1.068  -3.484  -0.969
 4723TIP3    H220479  -1.138  -3.529  -1.090
 4724TIP3   OH220480  -1.897  -3.337  -1.732
 4724TIP3    H120481  -1.929  -3.382  -1.812
 4724TIP3    H220482  -1.833  -3.402  -1.697
 4725TIP3   OH220483  -1.757  -2.994  -1.459
 4725TIP3    H120484  -1.773  -3.039  -1.542
 4725TIP3    H220485  -1.680  -3.042  -1.423
 4726TIP3   OH220486  -1.838  -3.461  -1.380
 4726TIP3    H120487  -1.783  -3.452  -1.459
 4726TIP3    H220488  -1.804  -3.390  -1.322
 4727TIP3   OH220489  -1.245  -2.897  -1.318
 4727TIP3    H120490  -1.237  -2.836  -1.243
 4727TIP3    H220491  -1.269  -2.981  -1.276
 4728TIP3   OH220492  -1.752  -3.023  -0.897
 4728TIP3    H120493  -1.798  -2.957  -0.843
 4728TIP3    H220494  -1.819  -3.043  -0.966
 4729TIP3   OH220495  -1.161  -3.472  -2.162
 4729TIP3    H120496  -1.116  -3.443  -2.080
 4729TIP3    H220497  -1.112  -3.419  -2.229
 4730TIP3   OH220498  -2.062  -3.387  -0.985
 4730TIP3    H120499  -2.056  -3.327  -0.908
 4730TIP3    H220500  -2.159  -3.396  -0.994
 4731TIP3   OH220501  -1.409  -2.808  -1.811
 4731TIP3    H120502  -1.369  -2.781  -1.728
 4731TIP3    H220503  -1.465  -2.732  -1.834
 4732TIP3   OH220504  -1.939  -2.792  -0.806
 4732TIP3    H120505  -1.951  -2.796  -0.902
 4732TIP3    H220506  -2.023  -2.826  -0.770
 4733TIP3   OH220507  -0.843  -4.322  -2.241
 4733TIP3    H120508  -0.889  -4.324  -2.155
 4733TIP3    H220509  -0.765  -4.269  -2.217
 4734TIP3   OH220510  -2.005  -3.464  -1.978
 4734TIP3    H120511  -2.027  -3.387  -2.032
 4734TIP3    H220512  -2.074  -3.527  -2.002
 4735TIP3   OH220513  -0.680  -2.880  -2.359
 4735TIP3    H120514  -0.666  -2.786  -2.335
 4735TIP3    H220515  -0.594  -2.920  -2.336
 4736TIP3   OH220516  -2.413  -3.194  -1.108
 4736TIP3    H120517  -2.434  -3.185  -1.203
 4736TIP3    H220518  -2.395  -3.289  -1.100
 4737TIP3   OH220519  -0.631  -2.843  -0.860
 4737TIP3    H120520  -0.569  -2.908  -0.825
 4737TIP3    H220521  -0.676  -2.813  -0.781
 4738TIP3   OH220522  -1.495  -2.884  -0.940
 4738TIP3    H120523  -1.484  -2.813  -0.874
 4738TIP3    H220524  -1.579  -2.924  -0.912
 4739TIP3   OH220525  -1.467  -2.535  -1.959
 4739TIP3    H120526  -1.468  -2.527  -2.056
 4739TIP3    H220527  -1.455  -2.443  -1.930
 4740TIP3   OH220528  -2.081  -2.625  -1.794
 4740TIP3    H120529  -2.067  -2.670  -1.708
 4740TIP3    H220530  -2.166  -2.662  -1.820
 4741TIP3   OH220531  -1.132  -2.591  -2.242
 4741TIP3    H120532  -1.077  -2.662  -2.282
 4741TIP3    H220533  -1.132  -2.616  -2.148
 4742TIP3   OH220534  -1.185  -2.616  -1.944
 4742TIP3    H120535  -1.282  -2.611  -1.946
 4742TIP3    H220536  -1.172  -2.707  -1.916
 4743TIP3   OH220537  -0.877  -3.710  -0.794
 4743TIP3    H120538  -0.929  -3.668  -0.864
 4743TIP3    H220539  -0.871  -3.802  -0.826
 4744TIP3   OH220540  -2.188  -3.040  -0.975
 4744TIP3    H120541  -2.156  -3.092  -0.899
 4744TIP3    H220542  -2.257  -3.095  -1.015
 4745TIP3   OH220543  -1.860  -4.220  -1.387
 4745TIP3    H120544  -1.943  -4.242  -1.433
 4745TIP3    H220545  -1.884  -4.136  -1.346
 4746TIP3   OH220546  -1.405  -4.264  -1.031
 4746TIP3    H120547  -1.386  -4.307  -0.948
 4746TIP3    H220548  -1.500  -4.277  -1.041
 4747TIP3   OH220549  -1.107  -3.863  -0.989
 4747TIP3    H120550  -1.166  -3.874  -0.912
 4747TIP3    H220551  -1.113  -3.768  -1.007
 4748TIP3   OH220552  -1.008  -3.361  -2.362
 4748TIP3    H120553  -1.028  -3.379  -2.455
 4748TIP3    H220554  -0.913  -3.337  -2.368
 4749TIP3   OH220555  -1.443  -3.993  -2.316
 4749TIP3    H120556  -1.497  -4.004  -2.235
 4749TIP3    H220557  -1.492  -4.054  -2.376
 4750TIP3   OH220558  -1.877  -3.716  -1.262
 4750TIP3    H120559  -1.935  -3.702  -1.186
 4750TIP3    H220560  -1.867  -3.625  -1.298
 4751TIP3   OH220561  -1.882  -3.709  -1.773
 4751TIP3    H120562  -1.978  -3.717  -1.789
 4751TIP3    H220563  -1.847  -3.727  -1.862
 4752TIP3   OH220564  -1.320  -3.652  -1.897
 4752TIP3    H120565  -1.361  -3.569  -1.929
 4752TIP3    H220566  -1.254  -3.668  -1.966
 4753TIP3   OH220567  -1.401  -3.634  -0.767
 4753TIP3    H120568  -1.452  -3.705  -0.725
 4753TIP3    H220569  -1.315  -3.642  -0.721
 4754TIP3   OH220570  -1.235  -3.711  -1.618
 4754TIP3    H120571  -1.265  -3.654  -1.691
 4754TIP3    H220572  -1.215  -3.792  -1.669
 4755TIP3   OH220573  -2.140  -3.697  -1.081
 4755TIP3    H120574  -2.112  -3.666  -0.994
 4755TIP3    H220575  -2.179  -3.784  -1.059
 4756TIP3   OH220576  -1.804  -3.942  -2.421
 4756TIP3    H120577  -1.838  -3.977  -2.337
 4756TIP3    H220578  -1.884  -3.929  -2.473
 4757TIP3   OH220579  -2.462  -3.961  -1.715
 4757TIP3    H120580  -2.404  -3.954  -1.636
 4757TIP3    H220581  -2.402  -3.992  -1.783
 4758TIP3   OH220582  -2.301  -3.912  -2.144
 4758TIP3    H120583  -2.245  -3.861  -2.206
 4758TIP3    H220584  -2.371  -3.846  -2.124
 4759TIP3   OH220585  -1.328  -3.543  -1.175
 4759TIP3    H120586  -1.282  -3.616  -1.222
 4759TIP3    H220587  -1.357  -3.587  -1.094
 4760TIP3   OH220588  -1.605  -3.944  -1.675
 4760TIP3    H120589  -1.699  -3.958  -1.654
 4760TIP3    H220590  -1.562  -3.971  -1.593
 4761TIP3   OH220591  -2.149  -3.828  -1.803
 4761TIP3    H120592  -2.229  -3.797  -1.850
 4761TIP3    H220593  -2.122  -3.908  -1.852
 4762TIP3   OH220594  -1.786  -3.792  -2.035
 4762TIP3    H120595  -1.689  -3.784  -2.030
 4762TIP3    H220596  -1.811  -3.732  -2.107
 4763TIP3   OH220597  -1.170  -4.033  -1.371
 4763TIP3    H120598  -1.232  -4.034  -1.295
 4763TIP3    H220599  -1.230  -4.064  -1.442
 4764TIP3   OH220600  -1.939  -3.672  -2.259
 4764TIP3    H120601  -1.997  -3.696  -2.333
 4764TIP3    H220602  -1.857  -3.649  -2.307
 4765TIP3   OH220603  -2.075  -3.197  -0.762
 4765TIP3    H120604  -2.006  -3.189  -0.692
 4765TIP3    H220605  -2.154  -3.193  -0.705
 4766TIP3   OH220606  -1.503  -3.694  -1.489
 4766TIP3    H120607  -1.431  -3.738  -1.535
 4766TIP3    H220608  -1.520  -3.755  -1.415
 4767TIP3   OH220609  -1.991  -4.066  -1.869
 4767TIP3    H120610  -2.034  -4.152  -1.854
 4767TIP3    H220611  -1.904  -4.094  -1.902
 4768TIP3   OH220612  -1.607  -3.849  -1.263
 4768TIP3    H120613  -1.682  -3.788  -1.263
 4768TIP3    H220614  -1.557  -3.821  -1.183
 4769TIP3   OH220615  -1.592  -3.210  -2.075
 4769TIP3    H120616  -1.668  -3.260  -2.110
 4769TIP3    H220617  -1.613  -3.204  -1.979
 4770TIP3   OH220618  -0.868  -3.297  -1.204
 4770TIP3    H120619  -0.820  -3.240  -1.268
 4770TIP3    H220620  -0.955  -3.305  -1.247
 4771TIP3   OH220621  -1.176  -3.928  -2.315
 4771TIP3    H120622  -1.273  -3.938  -2.310
 4771TIP3    H220623  -1.157  -3.863  -2.245
 4772TIP3   OH220624  -1.434  -3.200  -0.944
 4772TIP3    H120625  -1.456  -3.235  -0.856
 4772TIP3    H220626  -1.460  -3.108  -0.936
 4773TIP3   OH220627  -1.110  -3.750  -2.100
 4773TIP3    H120628  -1.024  -3.763  -2.055
 4773TIP3    H220629  -1.100  -3.660  -2.136
 4774TIP3   OH220630  -2.077  -3.272  -1.491
 4774TIP3    H120631  -2.021  -3.281  -1.570
 4774TIP3    H220632  -2.072  -3.360  -1.451
 4775TIP3   OH220633  -1.354  -3.072  -2.186
 4775TIP3    H120634  -1.378  -2.987  -2.143
 4775TIP3    H220635  -1.427  -3.129  -2.155
 4776TIP3   OH220636  -2.353  -3.443  -0.965
 4776TIP3    H120637  -2.336  -3.489  -0.881
 4776TIP3    H220638  -2.411  -3.505  -1.012
 4777TIP3   OH220639  -1.656  -3.495  -0.767
 4777TIP3    H120640  -1.689  -3.516  -0.856
 4777TIP3    H220641  -1.561  -3.517  -0.777
 4778TIP3   OH220642  -1.201  -2.946  -0.990
 4778TIP3    H120643  -1.295  -2.924  -0.989
 4778TIP3    H220644  -1.174  -2.922  -0.899
 4779TIP3   OH220645  -0.648  -3.747  -2.119
 4779TIP3    H120646  -0.705  -3.766  -2.196
 4779TIP3    H220647  -0.637  -3.651  -2.132
 4780TIP3   OH220648  -0.609  -3.158  -0.836
 4780TIP3    H120649  -0.694  -3.111  -0.850
 4780TIP3    H220650  -0.567  -3.143  -0.923
 4781TIP3   OH220651  -0.827  -2.879  -2.105
 4781TIP3    H120652  -0.855  -2.957  -2.054
 4781TIP3    H220653  -0.778  -2.919  -2.178
 4782TIP3   OH220654  -1.103  -3.349  -1.373
 4782TIP3    H120655  -1.197  -3.365  -1.394
 4782TIP3    H220656  -1.060  -3.422  -1.420
 4783TIP3   OH220657  -1.839  -2.944  -1.776
 4783TIP3    H120658  -1.801  -2.855  -1.778
 4783TIP3    H220659  -1.933  -2.926  -1.783
 4784TIP3   OH220660  -2.242  -3.462  -2.307
 4784TIP3    H120661  -2.184  -3.395  -2.266
 4784TIP3    H220662  -2.329  -3.436  -2.271
 4785TIP3   OH220663  -1.657  -3.171  -1.807
 4785TIP3    H120664  -1.691  -3.082  -1.792
 4785TIP3    H220665  -1.725  -3.224  -1.763
 4786TIP3   OH220666  -1.638  -2.751  -1.169
 4786TIP3    H120667  -1.582  -2.677  -1.196
 4786TIP3    H220668  -1.580  -2.796  -1.105
 4787TIP3   OH220669  -1.796  -2.651  -1.848
 4787TIP3    H120670  -1.892  -2.641  -1.835
 4787TIP3    H220671  -1.763  -2.564  -1.821
 4788TIP3   OH220672  -1.302  -3.172  -1.215
 4788TIP3    H120673  -1.329  -3.193  -1.124
 4788TIP3    H220674  -1.225  -3.230  -1.226
 4789TIP3   OH220675  -1.082  -3.039  -2.319
 4789TIP3    H120676  -1.042  -3.089  -2.245
 4789TIP3    H220677  -1.175  -3.053  -2.298
 4790TIP3   OH220678  -0.979  -2.710  -0.961
 4790TIP3    H120679  -1.066  -2.742  -0.988
 4790TIP3    H220680  -0.976  -2.619  -0.993
 4791TIP3   OH220681  -0.614  -2.612  -2.269
 4791TIP3    H120682  -0.546  -2.547  -2.293
 4791TIP3    H220683  -0.690  -2.553  -2.260
 4792TIP3   OH220684  -2.220  -3.961  -1.007
 4792TIP3    H120685  -2.310  -3.942  -1.039
 4792TIP3    H220686  -2.236  -4.048  -0.964
 4793TIP3   OH220687  -0.986  -3.180  -2.085
 4793TIP3    H120688  -1.016  -3.251  -2.024
 4793TIP3    H220689  -0.890  -3.182  -2.071
 4794TIP3   OH220690  -2.243  -2.789  -1.159
 4794TIP3    H120691  -2.236  -2.884  -1.173
 4794TIP3    H220692  -2.207  -2.780  -1.071
 4795TIP3   OH220693  -1.658  -2.937  -2.463
 4795TIP3    H120694  -1.631  -3.017  -2.512
 4795TIP3    H220695  -1.702  -2.976  -2.385
 4796TIP3   OH220696  -1.772  -2.984  -2.195
 4796TIP3    H120697  -1.728  -3.037  -2.128
 4796TIP3    H220698  -1.761  -2.893  -2.159
 4797TIP3   OH220699  -2.091  -3.241  -2.154
 4797TIP3    H120700  -2.164  -3.204  -2.100
 4797TIP3    H220701  -2.045  -3.159  -2.178
 4798TIP3   OH220702  -1.327  -4.009  -1.143
 4798TIP3    H120703  -1.268  -3.980  -1.073
 4798TIP3    H220704  -1.365  -4.092  -1.107
 4799TIP3   OH220705  -1.248  -4.058  -2.026
 4799TIP3    H120706  -1.245  -3.996  -2.101
 4799TIP3    H220707  -1.214  -4.002  -1.954
 4800TIP3   OH220708  -1.474  -2.817  -2.129
 4800TIP3    H120709  -1.559  -2.774  -2.109
 4800TIP3    H220710  -1.449  -2.776  -2.213
 4801TIP3   OH220711  -1.516  -3.852  -1.926
 4801TIP3    H120712  -1.443  -3.788  -1.911
 4801TIP3    H220713  -1.547  -3.868  -1.834
 4802TIP3   OH220714  -1.485  -3.763  -1.014
 4802TIP3    H120715  -1.477  -3.709  -0.933
 4802TIP3    H220716  -1.425  -3.836  -0.994
 4803TIP3   OH220717  -1.445  -4.173  -1.825
 4803TIP3    H120718  -1.479  -4.097  -1.774
 4803TIP3    H220719  -1.391  -4.129  -1.893
 4804TIP3   OH220720  -1.758  -2.715  -2.129
 4804TIP3    H120721  -1.766  -2.633  -2.182
 4804TIP3    H220722  -1.774  -2.683  -2.039
 4805TIP3   OH220723  -1.891  -4.050  -2.177
 4805TIP3    H120724  -1.888  -3.969  -2.124
 4805TIP3    H220725  -1.804  -4.088  -2.155
 4806TIP3   OH220726  -0.846  -3.964  -0.932
 4806TIP3    H120727  -0.942  -3.953  -0.942
 4806TIP3    H220728  -0.825  -3.986  -1.024
 4807TIP3   OH220729  -1.003  -3.575  -1.525
 4807TIP3    H120730  -1.086  -3.619  -1.549
 4807TIP3    H220731  -0.955  -3.645  -1.476
 4808TIP3   OH220732  -2.047  -2.959  -2.278
 4808TIP3    H120733  -1.974  -2.910  -2.236
 4808TIP3    H220734  -1.997  -3.011  -2.342
 4809TIP3   OH220735  -2.232  -3.744  -2.366
 4809TIP3    H120736  -2.220  -3.650  -2.342
 4809TIP3    H220737  -2.321  -3.743  -2.405
 4810TIP3   OH220738  -0.911  -2.667  -1.382
 4810TIP3    H120739  -0.900  -2.587  -1.436
 4810TIP3    H220740  -0.824  -2.673  -1.340
 4811TIP3   OH220741  -2.222  -4.244  -1.468
 4811TIP3    H120742  -2.180  -4.241  -1.555
 4811TIP3    H220743  -2.197  -4.334  -1.441
 4812TIP3   OH220744  -2.252  -2.896  -1.867
 4812TIP3    H120745  -2.323  -2.847  -1.822
 4812TIP3    H220746  -2.218  -2.831  -1.930
 4813TIP3   OH220747  -2.309  -2.597  -0.741
 4813TIP3    H120748  -2.246  -2.635  -0.679
 4813TIP3    H220749  -2.349  -2.679  -0.776
 4814TIP3   OH220750  -1.437  -2.767  -2.412
 4814TIP3    H120751  -1.514  -2.828  -2.423
 4814TIP3    H220752  -1.367  -2.823  -2.450
 4815TIP3   OH220753  -1.173  -2.875  -0.706
 4815TIP3    H120754  -1.227  -2.944  -0.665
 4815TIP3    H220755  -1.112  -2.853  -0.634
 4816TIP3   OH220756  -0.974  -2.774  -2.401
 4816TIP3    H120757  -0.963  -2.858  -2.352
 4816TIP3    H220758  -0.895  -2.772  -2.457
 4817TIP3   OH220759  -2.318  -3.236  -0.630
 4817TIP3    H120760  -2.306  -3.325  -0.668
 4817TIP3    H220761  -2.393  -3.204  -0.685
 4818TIP3   OH220762  -1.894  -3.193  -2.430
 4818TIP3    H120763  -1.879  -3.251  -2.354
 4818TIP3    H220764  -1.807  -3.198  -2.474
 4819TIP3   OH220765  -1.653  -3.214  -0.695
 4819TIP3    H120766  -1.681  -3.178  -0.780
 4819TIP3    H220767  -1.646  -3.310  -0.712
 4820TIP3   OH220768  -1.368  -3.060  -2.468
 4820TIP3    H120769  -1.376  -3.064  -2.371
 4820TIP3    H220770  -1.375  -3.155  -2.490
 4821TIP3   OH220771  -1.117  -3.251  -0.960
 4821TIP3    H120772  -1.036  -3.197  -0.974
 4821TIP3    H220773  -1.184  -3.181  -0.956
 4822TIP3   OH220774  -2.231  -3.526  -0.714
 4822TIP3    H120775  -2.154  -3.585  -0.712
 4822TIP3    H220776  -2.234  -3.498  -0.621
 4823TIP3   OH220777  -1.786  -3.384  -2.196
 4823TIP3    H120778  -1.847  -3.434  -2.139
 4823TIP3    H220779  -1.756  -3.454  -2.258
 4824TIP3   OH220780  -1.865  -3.609  -0.971
 4824TIP3    H120781  -1.918  -3.530  -0.951
 4824TIP3    H220782  -1.799  -3.573  -1.033
 4825TIP3   OH220783  -1.691  -3.583  -2.369
 4825TIP3    H120784  -1.695  -3.576  -2.467
 4825TIP3    H220785  -1.595  -3.587  -2.354
 4826TIP3   OH220786  -1.337  -3.340  -0.619
 4826TIP3    H120787  -1.244  -3.352  -0.642
 4826TIP3    H220788  -1.357  -3.421  -0.570
 4827TIP3   OH220789  -0.738  -3.331  -2.438
 4827TIP3    H120790  -0.749  -3.375  -2.523
 4827TIP3    H220791  -0.751  -3.237  -2.463
 4828TIP3   OH220792  -1.806  -3.880  -0.860
 4828TIP3    H120793  -1.796  -3.943  -0.932
 4828TIP3    H220794  -1.825  -3.797  -0.908
 4829TIP3   OH220795  -1.766  -4.038  -1.118
 4829TIP3    H120796  -1.714  -3.981  -1.178
 4829TIP3    H220797  -1.857  -4.025  -1.152
 4830TIP3   OH220798  -1.617  -3.488  -1.071
 4830TIP3    H120799  -1.533  -3.495  -1.119
 4830TIP3    H220800  -1.648  -3.400  -1.101
 4831TIP3   OH220801  -1.161  -3.694  -0.594
 4831TIP3    H120802  -1.136  -3.786  -0.577
 4831TIP3    H220803  -1.074  -3.651  -0.597
 4832TIP3   OH220804  -1.059  -3.417  -0.749
 4832TIP3    H120805  -1.095  -3.353  -0.813
 4832TIP3    H220806  -0.968  -3.426  -0.783
 4833TIP3   OH220807  -1.985  -3.697  -0.674
 4833TIP3    H120808  -2.035  -3.780  -0.677
 4833TIP3    H220809  -1.903  -3.722  -0.721
 4834TIP3   OH220810  -1.720  -4.278  -0.995
 4834TIP3    H120811  -1.706  -4.187  -1.031
 4834TIP3    H220812  -1.814  -4.288  -1.018
 4835TIP3   OH220813  -1.571  -3.846  -0.700
 4835TIP3    H120814  -1.603  -3.870  -0.611
 4835TIP3    H220815  -1.652  -3.863  -0.752
 4836TIP3   OH220816  -1.314  -3.947  -0.803
 4836TIP3    H120817  -1.402  -3.929  -0.765
 4836TIP3    H220818  -1.276  -4.009  -0.739
 4837TIP3   OH220819  -1.140  -4.138  -0.633
 4837TIP3    H120820  -1.155  -4.224  -0.592
 4837TIP3    H220821  -1.153  -4.076  -0.559
 4838TIP3   OH220822  -2.103  -3.960  -0.689
 4838TIP3    H120823  -2.131  -4.019  -0.761
 4838TIP3    H220824  -2.151  -3.997  -0.613
 4839TIP3   OH220825  -1.609  -4.149  -0.586
 4839TIP3    H120826  -1.634  -4.228  -0.637
 4839TIP3    H220827  -1.692  -4.097  -0.584
 4840TIP3   OH220828  -1.714  -2.457  -2.259
 4840TIP3    H120829  -1.618  -2.449  -2.250
 4840TIP3    H220830  -1.729  -2.416  -2.344
 4841TIP3   OH220831  -2.324  -3.018  -2.310
 4841TIP3    H120832  -2.229  -3.001  -2.292
 4841TIP3    H220833  -2.320  -3.099  -2.364
 4842TIP3   OH220834  -2.421  -2.502  -1.834
 4842TIP3    H120835  -2.495  -2.539  -1.886
 4842TIP3    H220836  -2.411  -2.570  -1.764
 4843TIP3   OH220837  -2.377  -2.701  -1.634
 4843TIP3    H120838  -2.418  -2.785  -1.605
 4843TIP3    H220839  -2.347  -2.670  -1.547
 4844TIP3   OH220840  -0.629  -2.572  -1.332
 4844TIP3    H120841  -0.624  -2.577  -1.234
 4844TIP3    H220842  -0.537  -2.553  -1.355
 4845TIP3   OH220843  -0.632  -2.612  -1.051
 4845TIP3    H120844  -0.701  -2.679  -1.067
 4845TIP3    H220845  -0.596  -2.649  -0.968
 4846TIP3   OH220846  -0.823  -3.065  -0.598
 4846TIP3    H120847  -0.917  -3.058  -0.572
 4846TIP3    H220848  -0.786  -2.985  -0.557
 4847TIP3   OH220849  -0.698  -3.195  -2.044
 4847TIP3    H120850  -0.610  -3.164  -2.021
 4847TIP3    H220851  -0.713  -3.259  -1.972
 4848TIP3   OH220852  -0.654  -3.399  -1.847
 4848TIP3    H120853  -0.724  -3.454  -1.805
 4848TIP3    H220854  -0.588  -3.387  -1.776
 4849TIP3   OH220855  -0.684  -3.150  -1.349
 4849TIP3    H120856  -0.617  -3.195  -1.401
 4849TIP3    H220857  -0.672  -3.057  -1.374
 4850TIP3   OH220858  -0.810  -2.849  -1.136
 4850TIP3    H120859  -0.869  -2.813  -1.066
 4850TIP3    H220860  -0.871  -2.895  -1.195
 4851TIP3   OH220861  -0.626  -3.451  -2.190
 4851TIP3    H120862  -0.680  -3.426  -2.267
 4851TIP3    H220863  -0.645  -3.379  -2.129
 4852TIP3   OH220864  -0.802  -3.697  -2.363
 4852TIP3    H120865  -0.774  -3.640  -2.436
 4852TIP3    H220866  -0.827  -3.779  -2.409
 4853TIP3   OH220867  -0.859  -3.583  -1.765
 4853TIP3    H120868  -0.868  -3.678  -1.782
 4853TIP3    H220869  -0.899  -3.575  -1.675
 4854TIP3   OH220870  -2.390  -3.367  -1.385
 4854TIP3    H120871  -2.382  -3.328  -1.474
 4854TIP3    H220872  -2.297  -3.369  -1.357
 4855TIP3   OH220873  -0.797  -3.390  -0.851
 4855TIP3    H120874  -0.724  -3.451  -0.830
 4855TIP3    H220875  -0.751  -3.306  -0.867
 4856TIP3   OH220876  -0.645  -3.583  -0.729
 4856TIP3    H120877  -0.724  -3.636  -0.751
 4856TIP3    H220878  -0.575  -3.651  -0.730
 4857TIP3   OH220879  -0.860  -3.967  -2.445
 4857TIP3    H120880  -0.801  -4.013  -2.382
 4857TIP3    H220881  -0.942  -4.018  -2.437
 4858TIP3   OH220882  -0.878  -3.827  -1.946
 4858TIP3    H120883  -0.861  -3.924  -1.939
 4858TIP3    H220884  -0.795  -3.798  -1.987
 4859TIP3   OH220885  -0.852  -3.774  -1.406
 4859TIP3    H120886  -0.754  -3.767  -1.407
 4859TIP3    H220887  -0.867  -3.775  -1.310
 4860TIP3   OH220888  -0.838  -3.706  -1.122
 4860TIP3    H120889  -0.921  -3.664  -1.094
 4860TIP3    H220890  -0.782  -3.629  -1.142
 4861TIP3   OH220891  -2.392  -3.836  -0.743
 4861TIP3    H120892  -2.299  -3.857  -0.760
 4861TIP3    H220893  -2.433  -3.924  -0.744
 4862TIP3   OH220894  -0.620  -4.277  -0.543
 4862TIP3    H120895  -0.572  -4.357  -0.568
 4862TIP3    H220896  -0.620  -4.219  -0.622
 4863TIP3   OH220897  -0.848  -4.099  -1.937
 4863TIP3    H120898  -0.826  -4.149  -1.858
 4863TIP3    H220899  -0.910  -4.159  -1.981
 4864TIP3   OH220900  -2.316  -3.990  -1.476
 4864TIP3    H120901  -2.284  -4.083  -1.463
 4864TIP3    H220902  -2.242  -3.939  -1.437
 4865TIP3   OH220903  -2.454  -3.730  -1.372
 4865TIP3    H120904  -2.394  -3.729  -1.449
 4865TIP3    H220905  -2.421  -3.654  -1.322
 4866TIP3   OH220906  -0.642  -4.113  -0.758
 4866TIP3    H120907  -0.726  -4.065  -0.749
 4866TIP3    H220908  -0.652  -4.145  -0.850
 4867TIP3   OH220909  -0.634  -4.056  -2.277
 4867TIP3    H120910  -0.618  -4.142  -2.322
 4867TIP3    H220911  -0.547  -4.015  -2.276
 4868TIP3   OH220912  -2.401  -4.106  -1.970
 4868TIP3    H120913  -2.496  -4.092  -1.984
 4868TIP3    H220914  -2.361  -4.035  -2.023
 4869TIP3   OH220915  -0.907  -2.529  -1.778
 4869TIP3    H120916  -0.870  -2.600  -1.834
 4869TIP3    H220917  -0.868  -2.550  -1.691
 4870TIP3   OH220918  -2.422  -4.128  -1.113
 4870TIP3    H120919  -2.425  -4.222  -1.087
 4870TIP3    H220920  -2.444  -4.133  -1.207
 4871TIP3   OH220921  -2.201  -2.893  -0.679
 4871TIP3    H120922  -2.270  -2.900  -0.747
 4871TIP3    H220923  -2.250  -2.907  -0.597
 4872TIP3   OH220924  -1.916  -2.797  -1.106
 4872TIP3    H120925  -1.949  -2.713  -1.141
 4872TIP3    H220926  -1.821  -2.788  -1.126
 4873TIP3   OH220927  -1.257  -2.526  -0.868
 4873TIP3    H120928  -1.191  -2.595  -0.879
 4873TIP3    H220929  -1.240  -2.495  -0.778
 4874TIP3   OH220930  -0.779  -4.278  -0.969
 4874TIP3    H120931  -0.828  -4.213  -1.022
 4874TIP3    H220932  -0.764  -4.346  -1.036
 4875TIP3   OH220933  -2.171  -2.490  -1.069
 4875TIP3    H120934  -2.231  -2.435  -1.122
 4875TIP3    H220935  -2.226  -2.510  -0.993
 4876TIP3   OH220936  -1.919  -2.523  -1.218
 4876TIP3    H120937  -2.005  -2.506  -1.173
 4876TIP3    H220938  -1.919  -2.454  -1.287
 4877TIP3   OH220939  -1.455  -2.529  -1.268
 4877TIP3    H120940  -1.495  -2.476  -1.339
 4877TIP3    H220941  -1.445  -2.462  -1.197
 4878TIP3   OH220942  -1.203  -2.637  -1.170
 4878TIP3    H120943  -1.295  -2.619  -1.195
 4878TIP3    H220944  -1.166  -2.548  -1.166
 4879TIP3   OH220945  -0.940  -2.446  -1.149
 4879TIP3    H120946  -0.984  -2.369  -1.183
 4879TIP3    H220947  -0.936  -2.508  -1.223
 4880TIP3   OH220948  -2.221  -2.621  -1.383
 4880TIP3    H120949  -2.233  -2.676  -1.302
 4880TIP3    H220950  -2.151  -2.671  -1.427
 4881TIP3   OH220951  -2.019  -2.749  -1.548
 4881TIP3    H120952  -2.041  -2.839  -1.513
 4881TIP3    H220953  -1.931  -2.735  -1.508
 4882TIP3   OH220954  -1.740  -2.700  -1.454
 4882TIP3    H120955  -1.727  -2.795  -1.474
 4882TIP3    H220956  -1.737  -2.702  -1.357
 4883TIP3   OH220957  -1.414  -4.112  -1.525
 4883TIP3    H120958  -1.477  -4.182  -1.497
 4883TIP3    H220959  -1.355  -4.161  -1.583
 4884TIP3   OH220960  -0.886  -4.331  -1.479
 4884TIP3    H120961  -0.827  -4.289  -1.544
 4884TIP3    H220962  -0.973  -4.306  -1.511
 4885TIP3   OH220963  -0.690  -4.226  -1.697
 4885TIP3    H120964  -0.635  -4.244  -1.774
 4885TIP3    H220965  -0.674  -4.131  -1.683
 4886TIP3   OH220966  -2.178  -4.284  -1.796
 4886TIP3    H120967  -2.270  -4.307  -1.813
 4886TIP3    H220968  -2.143  -4.364  -1.757
 4887TIP3   OH220969  -2.322  -4.291  -2.170
 4887TIP3    H120970  -2.274  -4.243  -2.240
 4887TIP3    H220971  -2.355  -4.217  -2.115
 4888TIP3   OH220972  -1.731  -4.228  -1.767
 4888TIP3    H120973  -1.636  -4.234  -1.787
 4888TIP3    H220974  -1.742  -4.293  -1.697
 4889TIP3   OH220975  -1.172  -4.265  -1.630
 4889TIP3    H120976  -1.141  -4.263  -1.721
 4889TIP3    H220977  -1.188  -4.359  -1.613
 4890TIP3   OH220978  -1.063  -4.272  -2.035
 4890TIP3    H120979  -1.139  -4.213  -2.053
 4890TIP3    H220980  -1.104  -4.360  -2.035
 4891TIP3   OH220981  -2.273  -2.695  -2.068
 4891TIP3    H120982  -2.341  -2.707  -2.135
 4891TIP3    H220983  -2.279  -2.599  -2.053
 4892TIP3   OH220984  -2.128  -4.125  -2.326
 4892TIP3    H120985  -2.057  -4.162  -2.382
 4892TIP3    H220986  -2.076  -4.074  -2.262
 4893TIP3   OH220987  -1.605  -4.060  -2.097
 4893TIP3    H120988  -1.597  -4.144  -2.048
 4893TIP3    H220989  -1.587  -3.992  -2.029
 4894TIP3   OH220990  -1.411  -2.512  -2.254
 4894TIP3    H120991  -1.314  -2.509  -2.255
 4894TIP3    H220992  -1.428  -2.580  -2.320
 4895TIP3   OH220993  -0.741  -2.619  -1.988
 4895TIP3    H120994  -0.766  -2.703  -2.032
 4895TIP3    H220995  -0.754  -2.555  -2.060
 4896TIP3   OH220996  -2.217  -4.179  -0.846
 4896TIP3    H120997  -2.260  -4.260  -0.814
 4896TIP3    H220998  -2.128  -4.214  -0.859
 4897TIP3   OH220999  -1.924  -4.279  -0.582
 4897TIP3    H121000  -1.836  -4.304  -0.619
 4897TIP3    H221001  -1.947  -4.358  -0.532
 4898TIP3   OH221002  -2.132  -2.599  -2.384
 4898TIP3    H121003  -2.159  -2.575  -2.295
 4898TIP3    H221004  -2.057  -2.659  -2.368
 4899TIP3   OH221005   0.607  -3.346  -1.800
 4899TIP3    H121006   0.602  -3.254  -1.771
 4899TIP3    H221007   0.525  -3.358  -1.849
 4900TIP3   OH221008  -0.253  -3.461  -1.270
 4900TIP3    H121009  -0.259  -3.536  -1.209
 4900TIP3    H221010  -0.186  -3.408  -1.224
 4901TIP3   OH221011   0.865  -3.152  -1.603
 4901TIP3    H121012   0.812  -3.224  -1.564
 4901TIP3    H221013   0.885  -3.097  -1.526
 4902TIP3   OH221014  -0.185  -3.000  -1.431
 4902TIP3    H121015  -0.213  -3.093  -1.439
 4902TIP3    H221016  -0.101  -3.011  -1.384
 4903TIP3   OH221017  -0.491  -3.658  -1.881
 4903TIP3    H121018  -0.535  -3.572  -1.871
 4903TIP3    H221019  -0.563  -3.712  -1.916
 4904TIP3   OH221020  -0.400  -3.411  -1.701
 4904TIP3    H121021  -0.403  -3.489  -1.643
 4904TIP3    H221022  -0.317  -3.427  -1.747
 4905TIP3   OH221023   0.569  -2.614  -1.548
 4905TIP3    H121024   0.629  -2.686  -1.576
 4905TIP3    H221025   0.543  -2.644  -1.460
 4906TIP3   OH221026   0.348  -3.185  -1.387
 4906TIP3    H121027   0.389  -3.257  -1.438
 4906TIP3    H221028   0.425  -3.164  -1.332
 4907TIP3   OH221029   1.204  -4.022  -1.319
 4907TIP3    H121030   1.232  -3.970  -1.242
 4907TIP3    H221031   1.263  -3.986  -1.387
 4908TIP3   OH221032   0.676  -3.757  -1.330
 4908TIP3    H121033   0.691  -3.849  -1.359
 4908TIP3    H221034   0.659  -3.708  -1.411
 4909TIP3   OH221035  -0.031  -3.942  -1.617
 4909TIP3    H121036  -0.013  -3.856  -1.659
 4909TIP3    H221037  -0.065  -3.992  -1.693
 4910TIP3   OH221038   0.751  -3.925  -1.787
 4910TIP3    H121039   0.806  -3.948  -1.711
 4910TIP3    H221040   0.798  -3.850  -1.824
 4911TIP3   OH221041  -0.359  -3.660  -1.571
 4911TIP3    H121042  -0.299  -3.707  -1.510
 4911TIP3    H221043  -0.350  -3.714  -1.651
 4912TIP3   OH221044   0.176  -3.518  -1.623
 4912TIP3    H121045   0.258  -3.564  -1.594
 4912TIP3    H221046   0.131  -3.592  -1.669
 4913TIP3   OH221047   1.294  -3.850  -1.057
 4913TIP3    H121048   1.220  -3.796  -1.090
 4913TIP3    H221049   1.256  -3.888  -0.977
 4914TIP3   OH221050  -0.151  -4.057  -1.203
 4914TIP3    H121051  -0.183  -3.999  -1.273
 4914TIP3    H221052  -0.216  -4.037  -1.133
 4915TIP3   OH221053   0.606  -3.060  -1.871
 4915TIP3    H121054   0.565  -3.093  -1.951
 4915TIP3    H221055   0.554  -2.980  -1.850
 4916TIP3   OH221056   0.140  -3.268  -1.190
 4916TIP3    H121057   0.067  -3.207  -1.166
 4916TIP3    H221058   0.206  -3.209  -1.230
 4917TIP3   OH221059   0.953  -4.022  -1.578
 4917TIP3    H121060   0.893  -4.055  -1.509
 4917TIP3    H221061   0.997  -3.948  -1.531
 4918TIP3   OH221062  -0.189  -3.855  -1.408
 4918TIP3    H121063  -0.126  -3.795  -1.361
 4918TIP3    H221064  -0.131  -3.889  -1.479
 4919TIP3   OH221065  -0.068  -3.081  -1.125
 4919TIP3    H121066  -0.064  -2.984  -1.139
 4919TIP3    H221067  -0.146  -3.085  -1.066
 4920TIP3   OH221068  -0.415  -3.109  -2.028
 4920TIP3    H121069  -0.446  -3.070  -2.112
 4920TIP3    H221070  -0.414  -3.031  -1.968
 4921TIP3   OH221071   0.920  -2.969  -1.355
 4921TIP3    H121072   0.823  -2.957  -1.348
 4921TIP3    H221073   0.946  -2.882  -1.390
 4922TIP3   OH221074   0.964  -4.114  -1.182
 4922TIP3    H121075   0.884  -4.077  -1.222
 4922TIP3    H221076   1.031  -4.094  -1.251
 4923TIP3   OH221077   0.270   4.379  -1.485
 4923TIP3    H121078   0.266   4.285  -1.466
 4923TIP3    H221079   0.187   4.414  -1.446
 4924TIP3   OH221080   0.749  -2.774  -1.700
 4924TIP3    H121081   0.799  -2.854  -1.725
 4924TIP3    H221082   0.818  -2.705  -1.707
 4925TIP3   OH221083   0.902  -2.990  -1.834
 4925TIP3    H121084   0.841  -3.032  -1.897
 4925TIP3    H221085   0.896  -3.052  -1.759
 4926TIP3   OH221086   1.055  -3.112  -0.995
 4926TIP3    H121087   1.037  -3.173  -1.069
 4926TIP3    H221088   1.062  -3.027  -1.041
 4927TIP3   OH221089   0.460  -3.424  -2.027
 4927TIP3    H121090   0.405  -3.357  -2.071
 4927TIP3    H221091   0.540  -3.426  -2.083
 4928TIP3   OH221092   0.503  -3.595  -2.318
 4928TIP3    H121093   0.566  -3.568  -2.249
 4928TIP3    H221094   0.560  -3.652  -2.371
 4929TIP3   OH221095   1.222  -3.483  -1.192
 4929TIP3    H121096   1.145  -3.424  -1.188
 4929TIP3    H221097   1.269  -3.448  -1.270
 4930TIP3   OH221098   0.840  -3.421  -1.914
 4930TIP3    H121099   0.766  -3.394  -1.854
 4930TIP3    H221100   0.894  -3.476  -1.854
 4931TIP3   OH221101   0.825  -3.562  -1.020
 4931TIP3    H121102   0.821  -3.476  -0.975
 4931TIP3    H221103   0.744  -3.551  -1.076
 4932TIP3   OH221104  -0.024  -3.326  -1.750
 4932TIP3    H121105  -0.046  -3.392  -1.819
 4932TIP3    H221106   0.039  -3.380  -1.697
 4933TIP3   OH221107   0.133  -2.999  -1.461
 4933TIP3    H121108   0.126  -3.054  -1.539
 4933TIP3    H221109   0.208  -3.041  -1.415
 4934TIP3   OH221110   0.041  -3.445  -1.388
 4934TIP3    H121111   0.109  -3.455  -1.458
 4934TIP3    H221112   0.087  -3.390  -1.322
 4935TIP3   OH221113   0.639  -2.903  -1.324
 4935TIP3    H121114   0.643  -2.837  -1.252
 4935TIP3    H221115   0.621  -2.986  -1.276
 4936TIP3   OH221116   0.132  -3.030  -0.899
 4936TIP3    H121117   0.078  -2.966  -0.848
 4936TIP3    H221118   0.068  -3.056  -0.967
 4937TIP3   OH221119   0.720  -3.469  -2.160
 4937TIP3    H121120   0.770  -3.445  -2.079
 4937TIP3    H221121   0.771  -3.418  -2.228
 4938TIP3   OH221122  -0.178  -3.385  -0.986
 4938TIP3    H121123  -0.171  -3.326  -0.909
 4938TIP3    H221124  -0.275  -3.397  -0.992
 4939TIP3   OH221125   0.461  -2.808  -1.804
 4939TIP3    H121126   0.514  -2.781  -1.728
 4939TIP3    H221127   0.418  -2.725  -1.830
 4940TIP3   OH221128  -0.072  -2.842  -0.819
 4940TIP3    H121129  -0.080  -2.812  -0.910
 4940TIP3    H221130  -0.154  -2.806  -0.780
 4941TIP3   OH221131   1.044  -4.327  -2.235
 4941TIP3    H121132   0.997  -4.320  -2.150
 4941TIP3    H221133   1.118  -4.266  -2.219
 4942TIP3   OH221134  -0.133  -3.457  -1.972
 4942TIP3    H121135  -0.142  -3.394  -2.046
 4942TIP3    H221136  -0.184  -3.532  -2.002
 4943TIP3   OH221137   1.205  -2.881  -2.360
 4943TIP3    H121138   1.221  -2.788  -2.337
 4943TIP3    H221139   1.291  -2.922  -2.339
 4944TIP3   OH221140  -0.505  -3.193  -1.110
 4944TIP3    H121141  -0.559  -3.198  -1.191
 4944TIP3    H221142  -0.499  -3.286  -1.082
 4945TIP3   OH221143  -0.508  -2.900  -1.418
 4945TIP3    H121144  -0.417  -2.928  -1.399
 4945TIP3    H221145  -0.525  -2.842  -1.342
 4946TIP3   OH221146   1.329  -2.841  -0.831
 4946TIP3    H121147   1.317  -2.935  -0.852
 4946TIP3    H221148   1.237  -2.817  -0.804
 4947TIP3   OH221149   0.394  -2.920  -0.955
 4947TIP3    H121150   0.402  -2.837  -0.903
 4947TIP3    H221151   0.304  -2.949  -0.931
 4948TIP3   OH221152   0.422  -2.539  -1.959
 4948TIP3    H121153   0.426  -2.524  -2.055
 4948TIP3    H221154   0.424  -2.448  -1.923
 4949TIP3   OH221155  -0.199  -2.632  -1.797
 4949TIP3    H121156  -0.178  -2.667  -1.708
 4949TIP3    H221157  -0.289  -2.666  -1.809
 4950TIP3   OH221158   0.751  -2.597  -2.240
 4950TIP3    H121159   0.810  -2.661  -2.283
 4950TIP3    H221160   0.747  -2.633  -2.148
 4951TIP3   OH221161   0.691  -2.655  -1.961
 4951TIP3    H121162   0.596  -2.639  -1.941
 4951TIP3    H221163   0.710  -2.723  -1.894
 4952TIP3   OH221164   1.009  -3.707  -0.795
 4952TIP3    H121165   0.955  -3.666  -0.864
 4952TIP3    H221166   1.013  -3.799  -0.826
 4953TIP3   OH221167  -0.299  -3.030  -0.969
 4953TIP3    H121168  -0.270  -3.075  -0.887
 4953TIP3    H221169  -0.371  -3.085  -1.002
 4954TIP3   OH221170   0.026  -4.219  -1.390
 4954TIP3    H121171  -0.058  -4.243  -1.430
 4954TIP3    H221172   0.003  -4.136  -1.346
 4955TIP3   OH221173   0.482  -4.267  -1.033
 4955TIP3    H121174   0.499  -4.306  -0.946
 4955TIP3    H221175   0.386  -4.275  -1.039
 4956TIP3   OH221176   0.781  -3.864  -0.986
 4956TIP3    H121177   0.719  -3.873  -0.912
 4956TIP3    H221178   0.772  -3.771  -1.012
 4957TIP3   OH221179   0.877  -3.362  -2.362
 4957TIP3    H121180   0.858  -3.380  -2.456
 4957TIP3    H221181   0.971  -3.337  -2.366
 4958TIP3   OH221182   0.441  -3.994  -2.315
 4958TIP3    H121183   0.386  -4.002  -2.236
 4958TIP3    H221184   0.393  -4.056  -2.375
 4959TIP3   OH221185   0.004  -3.715  -1.264
 4959TIP3    H121186  -0.047  -3.703  -1.183
 4959TIP3    H221187   0.016  -3.624  -1.296
 4960TIP3   OH221188   0.001  -3.705  -1.774
 4960TIP3    H121189  -0.093  -3.723  -1.792
 4960TIP3    H221190   0.040  -3.728  -1.861
 4961TIP3   OH221191   0.569  -3.666  -1.875
 4961TIP3    H121192   0.535  -3.576  -1.886
 4961TIP3    H221193   0.640  -3.669  -1.941
 4962TIP3   OH221194   0.482  -3.632  -0.760
 4962TIP3    H121195   0.433  -3.708  -0.722
 4962TIP3    H221196   0.571  -3.643  -0.720
 4963TIP3   OH221197  -0.255  -3.698  -1.082
 4963TIP3    H121198  -0.227  -3.666  -0.995
 4963TIP3    H221199  -0.293  -3.785  -1.059
 4964TIP3   OH221200   0.080  -3.937  -2.420
 4964TIP3    H121201   0.047  -3.979  -2.338
 4964TIP3    H221202   0.002  -3.931  -2.475
 4965TIP3   OH221203  -0.571  -3.951  -1.718
 4965TIP3    H121204  -0.517  -3.954  -1.637
 4965TIP3    H221205  -0.518  -3.997  -1.783
 4966TIP3   OH221206  -0.414  -3.911  -2.143
 4966TIP3    H121207  -0.360  -3.861  -2.207
 4966TIP3    H221208  -0.486  -3.847  -2.125
 4967TIP3   OH221209   0.570  -3.557  -1.121
 4967TIP3    H121210   0.582  -3.561  -1.218
 4967TIP3    H221211   0.515  -3.634  -1.102
 4968TIP3   OH221212   0.274  -3.965  -1.684
 4968TIP3    H121213   0.183  -3.958  -1.651
 4968TIP3    H221214   0.325  -3.953  -1.602
 4969TIP3   OH221215  -0.260  -3.825  -1.807
 4969TIP3    H121216  -0.344  -3.801  -1.850
 4969TIP3    H221217  -0.235  -3.909  -1.850
 4970TIP3   OH221218   0.101  -3.787  -2.032
 4970TIP3    H121219   0.199  -3.786  -2.027
 4970TIP3    H221220   0.082  -3.732  -2.109
 4971TIP3   OH221221   0.716  -4.043  -1.374
 4971TIP3    H121222   0.656  -4.036  -1.296
 4971TIP3    H221223   0.652  -4.070  -1.441
 4972TIP3   OH221224  -0.055  -3.665  -2.258
 4972TIP3    H121225  -0.111  -3.697  -2.330
 4972TIP3    H221226   0.028  -3.647  -2.306
 4973TIP3   OH221227   1.012  -2.458  -0.706
 4973TIP3    H121228   1.036  -2.413  -0.789
 4973TIP3    H221229   1.081  -2.421  -0.647
 4974TIP3   OH221230  -0.188  -3.196  -0.760
 4974TIP3    H121231  -0.121  -3.186  -0.689
 4974TIP3    H221232  -0.269  -3.201  -0.705
 4975TIP3   OH221233   0.377  -3.730  -1.518
 4975TIP3    H121234   0.468  -3.731  -1.546
 4975TIP3    H221235   0.383  -3.757  -1.425
 4976TIP3   OH221236  -0.105  -4.066  -1.865
 4976TIP3    H121237  -0.149  -4.152  -1.855
 4976TIP3    H221238  -0.020  -4.092  -1.905
 4977TIP3   OH221239   0.275  -3.853  -1.258
 4977TIP3    H121240   0.206  -3.786  -1.266
 4977TIP3    H221241   0.329  -3.821  -1.183
 4978TIP3   OH221242   0.293  -3.205  -2.079
 4978TIP3    H121243   0.219  -3.261  -2.111
 4978TIP3    H221244   0.278  -3.205  -1.982
 4979TIP3   OH221245   0.992  -3.301  -1.221
 4979TIP3    H121246   1.046  -3.246  -1.282
 4979TIP3    H221247   0.907  -3.303  -1.267
 4980TIP3   OH221248   0.710  -3.930  -2.312
 4980TIP3    H121249   0.612  -3.939  -2.307
 4980TIP3    H221250   0.729  -3.864  -2.243
 4981TIP3   OH221251   0.452  -3.208  -0.946
 4981TIP3    H121252   0.429  -3.240  -0.857
 4981TIP3    H221253   0.427  -3.115  -0.942
 4982TIP3   OH221254   0.772  -3.750  -2.099
 4982TIP3    H121255   0.857  -3.763  -2.051
 4982TIP3    H221256   0.780  -3.658  -2.131
 4983TIP3   OH221257  -0.196  -3.275  -1.498
 4983TIP3    H121258  -0.121  -3.293  -1.556
 4983TIP3    H221259  -0.193  -3.352  -1.439
 4984TIP3   OH221260   0.532  -3.073  -2.189
 4984TIP3    H121261   0.510  -2.988  -2.146
 4984TIP3    H221262   0.459  -3.129  -2.157
 4985TIP3   OH221263  -0.465  -3.445  -0.968
 4985TIP3    H121264  -0.450  -3.486  -0.881
 4985TIP3    H221265  -0.529  -3.505  -1.010
 4986TIP3   OH221266   0.231  -3.494  -0.769
 4986TIP3    H121267   0.199  -3.516  -0.858
 4986TIP3    H221268   0.324  -3.520  -0.776
 4987TIP3   OH221269   0.689  -2.936  -0.994
 4987TIP3    H121270   0.592  -2.941  -1.004
 4987TIP3    H221271   0.699  -2.921  -0.899
 4988TIP3   OH221272   1.239  -3.747  -2.120
 4988TIP3    H121273   1.179  -3.764  -2.195
 4988TIP3    H221274   1.249  -3.651  -2.130
 4989TIP3   OH221275   1.282  -3.141  -0.839
 4989TIP3    H121276   1.188  -3.120  -0.859
 4989TIP3    H221277   1.316  -3.158  -0.929
 4990TIP3   OH221278   1.053  -2.884  -2.112
 4990TIP3    H121279   1.033  -2.958  -2.053
 4990TIP3    H221280   1.112  -2.922  -2.177
 4991TIP3   OH221281   0.003  -2.949  -1.789
 4991TIP3    H121282   0.084  -2.896  -1.781
 4991TIP3    H221283  -0.061  -2.877  -1.778
 4992TIP3   OH221284  -0.359  -3.465  -2.307
 4992TIP3    H121285  -0.300  -3.397  -2.271
 4992TIP3    H221286  -0.446  -3.439  -2.272
 4993TIP3   OH221287   0.227  -3.173  -1.817
 4993TIP3    H121288   0.211  -3.083  -1.787
 4993TIP3    H221289   0.178  -3.227  -1.754
 4994TIP3   OH221290   0.246  -2.748  -1.172
 4994TIP3    H121291   0.301  -2.671  -1.196
 4994TIP3    H221292   0.306  -2.796  -1.113
 4995TIP3   OH221293   0.089  -2.652  -1.848
 4995TIP3    H121294  -0.006  -2.633  -1.837
 4995TIP3    H221295   0.128  -2.566  -1.821
 4996TIP3   OH221296   0.604  -3.161  -1.199
 4996TIP3    H121297   0.559  -3.199  -1.121
 4996TIP3    H221298   0.632  -3.242  -1.246
 4997TIP3   OH221299   0.800  -3.042  -2.321
 4997TIP3    H121300   0.845  -3.086  -2.247
 4997TIP3    H221301   0.708  -3.056  -2.294
 4998TIP3   OH221302   0.883  -2.715  -0.971
 4998TIP3    H121303   0.806  -2.761  -1.010
 4998TIP3    H221304   0.890  -2.635  -1.028
 4999TIP3   OH221305   1.280  -2.613  -2.272
 4999TIP3    H121306   1.350  -2.547  -2.287
 4999TIP3    H221307   1.203  -2.553  -2.270
 5000TIP3   OH221308  -0.334  -3.962  -1.008
 5000TIP3    H121309  -0.425  -3.943  -1.038
 5000TIP3    H221310  -0.350  -4.048  -0.963
 5001TIP3   OH221311   0.899  -3.180  -2.085
 5001TIP3    H121312   0.873  -3.253  -2.025
 5001TIP3    H221313   0.996  -3.180  -2.073
 5002TIP3   OH221314  -0.351  -2.804  -1.165
 5002TIP3    H121315  -0.326  -2.894  -1.138
 5002TIP3    H221316  -0.355  -2.762  -1.078
 5003TIP3   OH221317   0.224  -2.937  -2.464
 5003TIP3    H121318   0.257  -3.014  -2.513
 5003TIP3    H221319   0.187  -2.978  -2.385
 5004TIP3   OH221320   0.106  -2.989  -2.180
 5004TIP3    H121321   0.173  -3.039  -2.129
 5004TIP3    H221322   0.127  -2.896  -2.156
 5005TIP3   OH221323  -0.190  -3.229  -2.129
 5005TIP3    H121324  -0.280  -3.197  -2.111
 5005TIP3    H221325  -0.155  -3.159  -2.187
 5006TIP3   OH221326   0.555  -4.008  -1.141
 5006TIP3    H121327   0.619  -3.978  -1.075
 5006TIP3    H221328   0.523  -4.093  -1.105
 5007TIP3   OH221329   0.644  -4.050  -2.014
 5007TIP3    H121330   0.649  -3.988  -2.088
 5007TIP3    H221331   0.677  -3.995  -1.940
 5008TIP3   OH221332   0.401  -2.826  -2.130
 5008TIP3    H121333   0.325  -2.769  -2.108
 5008TIP3    H221334   0.444  -2.774  -2.199
 5009TIP3   OH221335   0.370  -3.848  -1.926
 5009TIP3    H121336   0.447  -3.789  -1.908
 5009TIP3    H221337   0.341  -3.868  -1.835
 5010TIP3   OH221338   0.399  -3.762  -1.012
 5010TIP3    H121339   0.411  -3.707  -0.932
 5010TIP3    H221340   0.459  -3.836  -0.994
 5011TIP3   OH221341   0.437  -4.170  -1.825
 5011TIP3    H121342   0.407  -4.094  -1.772
 5011TIP3    H221343   0.499  -4.128  -1.887
 5012TIP3   OH221344   0.123  -2.715  -2.129
 5012TIP3    H121345   0.119  -2.633  -2.183
 5012TIP3    H221346   0.112  -2.680  -2.039
 5013TIP3   OH221347  -0.004  -4.052  -2.176
 5013TIP3    H121348  -0.004  -3.970  -2.124
 5013TIP3    H221349   0.086  -4.084  -2.155
 5014TIP3   OH221350   1.040  -3.965  -0.932
 5014TIP3    H121351   0.944  -3.951  -0.941
 5014TIP3    H221352   1.060  -3.985  -1.025
 5015TIP3   OH221353   0.885  -3.587  -1.547
 5015TIP3    H121354   0.794  -3.566  -1.522
 5015TIP3    H221355   0.917  -3.645  -1.475
 5016TIP3   OH221356  -0.163  -2.966  -2.274
 5016TIP3    H121357  -0.093  -2.911  -2.235
 5016TIP3    H221358  -0.112  -3.008  -2.344
 5017TIP3   OH221359  -0.347  -3.745  -2.364
 5017TIP3    H121360  -0.336  -3.651  -2.341
 5017TIP3    H221361  -0.434  -3.745  -2.406
 5018TIP3   OH221362   0.984  -2.690  -1.386
 5018TIP3    H121363   0.967  -2.606  -1.433
 5018TIP3    H221364   1.076  -2.675  -1.358
 5019TIP3   OH221365  -0.338  -4.243  -1.469
 5019TIP3    H121366  -0.293  -4.243  -1.555
 5019TIP3    H221367  -0.313  -4.332  -1.439
 5020TIP3   OH221368  -0.355  -2.897  -1.863
 5020TIP3    H121369  -0.428  -2.852  -1.817
 5020TIP3    H221370  -0.330  -2.829  -1.928
 5021TIP3   OH221371   0.068  -2.683  -0.563
 5021TIP3    H121372   0.111  -2.768  -0.549
 5021TIP3    H221373   0.002  -2.704  -0.631
 5022TIP3   OH221374   0.449  -2.765  -2.416
 5022TIP3    H121375   0.375  -2.829  -2.423
 5022TIP3    H221376   0.522  -2.819  -2.450
 5023TIP3   OH221377   0.690  -2.863  -0.704
 5023TIP3    H121378   0.650  -2.945  -0.669
 5023TIP3    H221379   0.759  -2.844  -0.639
 5024TIP3   OH221380   0.911  -2.776  -2.404
 5024TIP3    H121381   0.928  -2.855  -2.349
 5024TIP3    H221382   0.991  -2.771  -2.458
 5025TIP3   OH221383  -0.429  -3.239  -0.635
 5025TIP3    H121384  -0.425  -3.328  -0.673
 5025TIP3    H221385  -0.508  -3.204  -0.681
 5026TIP3   OH221386  -0.010  -3.195  -2.426
 5026TIP3    H121387   0.012  -3.255  -2.353
 5026TIP3    H221388   0.074  -3.194  -2.475
 5027TIP3   OH221389   0.234  -3.216  -0.696
 5027TIP3    H121390   0.205  -3.182  -0.782
 5027TIP3    H221391   0.241  -3.312  -0.711
 5028TIP3   OH221392   0.510  -3.061  -2.469
 5028TIP3    H121393   0.512  -3.065  -2.371
 5028TIP3    H221394   0.510  -3.157  -2.489
 5029TIP3   OH221395   0.771  -3.251  -0.946
 5029TIP3    H121396   0.847  -3.202  -0.979
 5029TIP3    H221397   0.698  -3.190  -0.965
 5030TIP3   OH221398  -0.345  -3.526  -0.715
 5030TIP3    H121399  -0.269  -3.586  -0.711
 5030TIP3    H221400  -0.349  -3.496  -0.623
 5031TIP3   OH221401   0.097  -3.384  -2.197
 5031TIP3    H121402   0.048  -3.443  -2.138
 5031TIP3    H221403   0.133  -3.449  -2.261
 5032TIP3   OH221404   0.020  -3.610  -0.975
 5032TIP3    H121405  -0.032  -3.531  -0.951
 5032TIP3    H221406   0.090  -3.572  -1.031
 5033TIP3   OH221407   0.196  -3.581  -2.368
 5033TIP3    H121408   0.192  -3.577  -2.465
 5033TIP3    H221409   0.292  -3.589  -2.353
 5034TIP3   OH221410   0.552  -3.338  -0.613
 5034TIP3    H121411   0.641  -3.357  -0.647
 5034TIP3    H221412   0.527  -3.422  -0.574
 5035TIP3   OH221413   1.147  -3.332  -2.438
 5035TIP3    H121414   1.135  -3.373  -2.525
 5035TIP3    H221415   1.136  -3.237  -2.461
 5036TIP3   OH221416   0.080  -3.879  -0.859
 5036TIP3    H121417   0.091  -3.943  -0.932
 5036TIP3    H221418   0.061  -3.797  -0.908
 5037TIP3   OH221419   0.119  -4.040  -1.118
 5037TIP3    H121420   0.173  -3.981  -1.176
 5037TIP3    H221421   0.028  -4.025  -1.152
 5038TIP3   OH221422   0.264  -3.491  -1.075
 5038TIP3    H121423   0.356  -3.495  -1.107
 5038TIP3    H221424   0.238  -3.401  -1.103
 5039TIP3   OH221425   0.726  -3.693  -0.595
 5039TIP3    H121426   0.746  -3.786  -0.573
 5039TIP3    H221427   0.814  -3.654  -0.599
 5040TIP3   OH221428   0.826  -3.416  -0.740
 5040TIP3    H121429   0.789  -3.355  -0.807
 5040TIP3    H221430   0.912  -3.434  -0.781
 5041TIP3   OH221431  -0.097  -3.696  -0.674
 5041TIP3    H121432  -0.149  -3.778  -0.674
 5041TIP3    H221433  -0.016  -3.724  -0.719
 5042TIP3   OH221434   0.165  -4.279  -0.997
 5042TIP3    H121435   0.181  -4.188  -1.031
 5042TIP3    H221436   0.071  -4.285  -1.016
 5043TIP3   OH221437   0.317  -3.848  -0.696
 5043TIP3    H121438   0.282  -3.871  -0.608
 5043TIP3    H221439   0.236  -3.864  -0.749
 5044TIP3   OH221440   0.572  -3.947  -0.803
 5044TIP3    H121441   0.484  -3.930  -0.765
 5044TIP3    H221442   0.610  -4.009  -0.738
 5045TIP3   OH221443   0.749  -4.137  -0.630
 5045TIP3    H121444   0.730  -4.223  -0.590
 5045TIP3    H221445   0.731  -4.076  -0.557
 5046TIP3   OH221446  -0.216  -3.963  -0.686
 5046TIP3    H121447  -0.245  -4.021  -0.759
 5046TIP3    H221448  -0.266  -3.997  -0.611
 5047TIP3   OH221449   0.276  -4.147  -0.583
 5047TIP3    H121450   0.254  -4.227  -0.635
 5047TIP3    H221451   0.193  -4.096  -0.586
 5048TIP3   OH221452   0.172  -2.463  -2.263
 5048TIP3    H121453   0.266  -2.448  -2.246
 5048TIP3    H221454   0.161  -2.412  -2.344
 5049TIP3   OH221455  -0.437  -3.025  -2.301
 5049TIP3    H121456  -0.342  -3.000  -2.295
 5049TIP3    H221457  -0.435  -3.097  -2.367
 5050TIP3   OH221458  -0.592  -2.463  -1.782
 5050TIP3    H121459  -0.633  -2.509  -1.857
 5050TIP3    H221460  -0.560  -2.537  -1.728
 5051TIP3   OH221461  -0.491  -2.703  -1.640
 5051TIP3    H121462  -0.526  -2.785  -1.602
 5051TIP3    H221463  -0.458  -2.662  -1.558
 5052TIP3   OH221464   1.256  -2.575  -1.335
 5052TIP3    H121465   1.268  -2.572  -1.239
 5052TIP3    H221466   1.342  -2.542  -1.365
 5053TIP3   OH221467   1.245  -2.628  -1.048
 5053TIP3    H121468   1.193  -2.703  -1.081
 5053TIP3    H221469   1.301  -2.671  -0.982
 5054TIP3   OH221470   1.047  -3.084  -0.615
 5054TIP3    H121471   0.958  -3.076  -0.578
 5054TIP3    H221472   1.090  -3.002  -0.586
 5055TIP3   OH221473   1.186  -3.195  -2.045
 5055TIP3    H121474   1.276  -3.163  -2.026
 5055TIP3    H221475   1.175  -3.258  -1.971
 5056TIP3   OH221476   1.231  -3.400  -1.848
 5056TIP3    H121477   1.164  -3.456  -1.804
 5056TIP3    H221478   1.298  -3.387  -1.778
 5057TIP3   OH221479   1.202  -3.151  -1.342
 5057TIP3    H121480   1.262  -3.199  -1.401
 5057TIP3    H221481   1.212  -3.060  -1.374
 5058TIP3   OH221482   1.074  -2.859  -1.123
 5058TIP3    H121483   1.002  -2.818  -1.073
 5058TIP3    H221484   1.027  -2.893  -1.202
 5059TIP3   OH221485   1.260  -3.454  -2.190
 5059TIP3    H121486   1.206  -3.424  -2.266
 5059TIP3    H221487   1.243  -3.382  -2.127
 5060TIP3   OH221488   1.083  -3.698  -2.363
 5060TIP3    H121489   1.111  -3.638  -2.434
 5060TIP3    H221490   1.059  -3.779  -2.412
 5061TIP3   OH221491   1.037  -3.590  -1.765
 5061TIP3    H121492   1.018  -3.683  -1.782
 5061TIP3    H221493   0.991  -3.578  -1.678
 5062TIP3   OH221494  -0.491  -3.365  -1.395
 5062TIP3    H121495  -0.461  -3.358  -1.487
 5062TIP3    H221496  -0.407  -3.385  -1.349
 5063TIP3   OH221497   1.086  -3.394  -0.852
 5063TIP3    H121498   1.161  -3.454  -0.833
 5063TIP3    H221499   1.130  -3.310  -0.871
 5064TIP3   OH221500   1.241  -3.583  -0.728
 5064TIP3    H121501   1.161  -3.635  -0.752
 5064TIP3    H221502   1.310  -3.653  -0.730
 5065TIP3   OH221503   1.027  -3.970  -2.447
 5065TIP3    H121504   1.085  -4.012  -2.381
 5065TIP3    H221505   0.943  -4.017  -2.436
 5066TIP3   OH221506   1.005  -3.826  -1.948
 5066TIP3    H121507   1.021  -3.923  -1.940
 5066TIP3    H221508   1.089  -3.796  -1.985
 5067TIP3   OH221509   1.032  -3.783  -1.406
 5067TIP3    H121510   1.128  -3.766  -1.408
 5067TIP3    H221511   1.015  -3.774  -1.311
 5068TIP3   OH221512   1.050  -3.707  -1.122
 5068TIP3    H121513   0.966  -3.666  -1.093
 5068TIP3    H221514   1.103  -3.628  -1.143
 5069TIP3   OH221515  -0.507  -3.836  -0.743
 5069TIP3    H121516  -0.414  -3.857  -0.760
 5069TIP3    H221517  -0.548  -3.924  -0.744
 5070TIP3   OH221518   1.269  -4.275  -0.543
 5070TIP3    H121519   1.309  -4.359  -0.569
 5070TIP3    H221520   1.266  -4.219  -0.623
 5071TIP3   OH221521   1.042  -4.099  -1.940
 5071TIP3    H121522   1.058  -4.145  -1.856
 5071TIP3    H221523   0.975  -4.157  -1.981
 5072TIP3   OH221524  -0.430  -3.990  -1.477
 5072TIP3    H121525  -0.400  -4.082  -1.464
 5072TIP3    H221526  -0.356  -3.940  -1.437
 5073TIP3   OH221527  -0.570  -3.729  -1.373
 5073TIP3    H121528  -0.508  -3.730  -1.448
 5073TIP3    H221529  -0.535  -3.656  -1.320
 5074TIP3   OH221530   1.243  -4.113  -0.759
 5074TIP3    H121531   1.159  -4.064  -0.751
 5074TIP3    H221532   1.233  -4.146  -0.850
 5075TIP3   OH221533   1.250  -4.059  -2.279
 5075TIP3    H121534   1.271  -4.144  -2.322
 5075TIP3    H221535   1.336  -4.015  -2.274
 5076TIP3   OH221536  -0.516  -4.104  -1.966
 5076TIP3    H121537  -0.611  -4.094  -1.985
 5076TIP3    H221538  -0.476  -4.034  -2.023
 5077TIP3   OH221539   0.942  -2.565  -1.756
 5077TIP3    H121540   0.994  -2.593  -1.834
 5077TIP3    H221541   1.011  -2.531  -1.698
 5078TIP3   OH221542  -0.541  -4.127  -1.112
 5078TIP3    H121543  -0.534  -4.221  -1.087
 5078TIP3    H221544  -0.559  -4.135  -1.207
 5079TIP3   OH221545  -0.030  -2.802  -1.117
 5079TIP3    H121546  -0.065  -2.715  -1.143
 5079TIP3    H221547   0.066  -2.786  -1.130
 5080TIP3   OH221548   0.421  -2.671  -0.814
 5080TIP3    H121549   0.432  -2.682  -0.719
 5080TIP3    H221550   0.503  -2.622  -0.839
 5081TIP3   OH221551   0.649  -2.524  -0.881
 5081TIP3    H121552   0.720  -2.585  -0.905
 5081TIP3    H221553   0.679  -2.490  -0.795
 5082TIP3   OH221554   1.106  -4.278  -0.968
 5082TIP3    H121555   1.057  -4.213  -1.022
 5082TIP3    H221556   1.127  -4.344  -1.036
 5083TIP3   OH221557  -0.305  -2.491  -1.092
 5083TIP3    H121558  -0.373  -2.428  -1.119
 5083TIP3    H221559  -0.324  -2.497  -0.997
 5084TIP3   OH221560  -0.051  -2.528  -1.228
 5084TIP3    H121561  -0.134  -2.506  -1.183
 5084TIP3    H221562  -0.043  -2.454  -1.292
 5085TIP3   OH221563   0.430  -2.526  -1.270
 5085TIP3    H121564   0.393  -2.477  -1.346
 5085TIP3    H221565   0.439  -2.454  -1.204
 5086TIP3   OH221566   0.665  -2.651  -1.178
 5086TIP3    H121567   0.579  -2.616  -1.209
 5086TIP3    H221568   0.720  -2.572  -1.177
 5087TIP3   OH221569   0.918  -2.483  -1.155
 5087TIP3    H121570   0.916  -2.387  -1.173
 5087TIP3    H221571   0.946  -2.516  -1.242
 5088TIP3   OH221572  -0.340  -2.628  -1.389
 5088TIP3    H121573  -0.343  -2.669  -1.300
 5088TIP3    H221574  -0.256  -2.663  -1.421
 5089TIP3   OH221575  -0.128  -2.755  -1.555
 5089TIP3    H121576  -0.148  -2.841  -1.512
 5089TIP3    H221577  -0.043  -2.731  -1.513
 5090TIP3   OH221578   0.138  -2.705  -1.453
 5090TIP3    H121579   0.162  -2.798  -1.470
 5090TIP3    H221580   0.148  -2.701  -1.357
 5091TIP3   OH221581   0.477  -4.115  -1.521
 5091TIP3    H121582   0.410  -4.182  -1.499
 5091TIP3    H221583   0.532  -4.161  -1.585
 5092TIP3   OH221584   0.997  -4.340  -1.488
 5092TIP3    H121585   1.059  -4.288  -1.541
 5092TIP3    H221586   0.912  -4.298  -1.508
 5093TIP3   OH221587   1.202  -4.228  -1.695
 5093TIP3    H121588   1.247  -4.242  -1.779
 5093TIP3    H221589   1.211  -4.132  -1.682
 5094TIP3   OH221590  -0.292  -4.285  -1.798
 5094TIP3    H121591  -0.385  -4.306  -1.812
 5094TIP3    H221592  -0.260  -4.364  -1.754
 5095TIP3   OH221593  -0.434  -4.291  -2.169
 5095TIP3    H121594  -0.388  -4.242  -2.240
 5095TIP3    H221595  -0.471  -4.218  -2.116
 5096TIP3   OH221596   0.162  -4.257  -1.786
 5096TIP3    H121597   0.254  -4.224  -1.783
 5096TIP3    H221598   0.148  -4.282  -1.694
 5097TIP3   OH221599   0.705  -4.266  -1.633
 5097TIP3    H121600   0.745  -4.261  -1.721
 5097TIP3    H221601   0.704  -4.361  -1.613
 5098TIP3   OH221602   0.825  -4.273  -2.034
 5098TIP3    H121603   0.751  -4.209  -2.048
 5098TIP3    H221604   0.780  -4.358  -2.040
 5099TIP3   OH221605  -0.394  -2.696  -2.065
 5099TIP3    H121606  -0.461  -2.706  -2.134
 5099TIP3    H221607  -0.387  -2.599  -2.063
 5100TIP3   OH221608  -0.243  -4.125  -2.326
 5100TIP3    H121609  -0.172  -4.162  -2.382
 5100TIP3    H221610  -0.189  -4.074  -2.262
 5101TIP3   OH221611   0.271  -4.059  -2.091
 5101TIP3    H121612   0.302  -4.141  -2.048
 5101TIP3    H221613   0.300  -3.990  -2.028
 5102TIP3   OH221614   0.476  -2.513  -2.251
 5102TIP3    H121615   0.573  -2.512  -2.256
 5102TIP3    H221616   0.457  -2.579  -2.321
 5103TIP3   OH221617   1.128  -2.611  -1.996
 5103TIP3    H121618   1.104  -2.695  -2.039
 5103TIP3    H221619   1.122  -2.549  -2.070
 5104TIP3   OH221620  -0.331  -4.178  -0.845
 5104TIP3    H121621  -0.375  -4.259  -0.816
 5104TIP3    H221622  -0.242  -4.214  -0.858
 5105TIP3   OH221623  -0.038  -4.278  -0.582
 5105TIP3    H121624   0.049  -4.304  -0.619
 5105TIP3    H221625  -0.063  -4.358  -0.534
 5106TIP3   OH221626  -0.250  -2.606  -2.382
 5106TIP3    H121627  -0.267  -2.573  -2.293
 5106TIP3    H221628  -0.167  -2.656  -2.371
 5107TIP3   OH221629   1.074  -2.736  -0.752
 5107TIP3    H121630   1.002  -2.752  -0.816
 5107TIP3    H221631   1.061  -2.641  -0.736
 5108TIP3   OH221632   2.497  -3.368  -1.744
 5108TIP3    H121633   2.496  -3.272  -1.727
 5108TIP3    H221634   2.418  -3.378  -1.798
 5109TIP3   OH221635   2.384  -3.424  -1.436
 5109TIP3    H121636   2.380  -3.476  -1.355
 5109TIP3    H221637   2.352  -3.487  -1.502
 5110TIP3   OH221638   1.632  -3.465  -1.269
 5110TIP3    H121639   1.628  -3.539  -1.205
 5110TIP3    H221640   1.699  -3.408  -1.228
 5111TIP3   OH221641   2.753  -3.144  -1.598
 5111TIP3    H121642   2.715  -3.211  -1.540
 5111TIP3    H221643   2.781  -3.077  -1.533
 5112TIP3   OH221644   1.696  -2.999  -1.419
 5112TIP3    H121645   1.671  -3.091  -1.442
 5112TIP3    H221646   1.788  -3.012  -1.394
 5113TIP3   OH221647   1.395  -3.661  -1.881
 5113TIP3    H121648   1.356  -3.574  -1.867
 5113TIP3    H221649   1.320  -3.710  -1.915
 5114TIP3   OH221650   1.476  -3.413  -1.694
 5114TIP3    H121651   1.489  -3.496  -1.644
 5114TIP3    H221652   1.560  -3.404  -1.740
 5115TIP3   OH221653   2.451  -2.616  -1.548
 5115TIP3    H121654   2.513  -2.685  -1.577
 5115TIP3    H221655   2.428  -2.645  -1.459
 5116TIP3   OH221656   2.231  -3.172  -1.379
 5116TIP3    H121657   2.265  -3.244  -1.435
 5116TIP3    H221658   2.311  -3.155  -1.326
 5117TIP3   OH221659   3.087  -4.018  -1.324
 5117TIP3    H121660   3.116  -3.978  -1.241
 5117TIP3    H221661   3.153  -3.981  -1.385
 5118TIP3   OH221662   2.561  -3.740  -1.326
 5118TIP3    H121663   2.578  -3.836  -1.325
 5118TIP3    H221664   2.550  -3.724  -1.421
 5119TIP3   OH221665   1.857  -3.942  -1.617
 5119TIP3    H121666   1.872  -3.856  -1.661
 5119TIP3    H221667   1.822  -3.993  -1.692
 5120TIP3   OH221668   2.645  -3.926  -1.786
 5120TIP3    H121669   2.706  -3.963  -1.719
 5120TIP3    H221670   2.707  -3.874  -1.841
 5121TIP3   OH221671   1.528  -3.661  -1.570
 5121TIP3    H121672   1.586  -3.711  -1.510
 5121TIP3    H221673   1.534  -3.713  -1.652
 5122TIP3   OH221674   2.066  -3.525  -1.625
 5122TIP3    H121675   2.135  -3.580  -1.583
 5122TIP3    H221676   2.013  -3.592  -1.672
 5123TIP3   OH221677   3.180  -3.847  -1.058
 5123TIP3    H121678   3.103  -3.796  -1.089
 5123TIP3    H221679   3.145  -3.888  -0.978
 5124TIP3   OH221680   1.737  -4.056  -1.201
 5124TIP3    H121681   1.703  -4.000  -1.273
 5124TIP3    H221682   1.669  -4.037  -1.133
 5125TIP3   OH221683   2.491  -3.080  -1.865
 5125TIP3    H121684   2.453  -3.103  -1.950
 5125TIP3    H221685   2.444  -2.997  -1.844
 5126TIP3   OH221686   2.030  -3.270  -1.192
 5126TIP3    H121687   1.957  -3.210  -1.165
 5126TIP3    H221688   2.093  -3.208  -1.233
 5127TIP3   OH221689   2.840  -4.018  -1.581
 5127TIP3    H121690   2.783  -4.059  -1.514
 5127TIP3    H221691   2.885  -3.950  -1.528
 5128TIP3   OH221692   1.698  -3.857  -1.407
 5128TIP3    H121693   1.760  -3.795  -1.363
 5128TIP3    H221694   1.755  -3.890  -1.480
 5129TIP3   OH221695   1.829  -3.083  -1.119
 5129TIP3    H121696   1.827  -2.990  -1.148
 5129TIP3    H221697   1.742  -3.088  -1.074
 5130TIP3   OH221698   1.463  -3.112  -2.030
 5130TIP3    H121699   1.441  -3.061  -2.110
 5130TIP3    H221700   1.479  -3.042  -1.963
 5131TIP3   OH221701   2.818  -2.936  -1.373
 5131TIP3    H121702   2.722  -2.918  -1.363
 5131TIP3    H221703   2.855  -2.850  -1.397
 5132TIP3   OH221704   2.849  -4.111  -1.181
 5132TIP3    H121705   2.768  -4.077  -1.222
 5132TIP3    H221706   2.915  -4.095  -1.251
 5133TIP3   OH221707   2.159   4.381  -1.480
 5133TIP3    H121708   2.155   4.286  -1.467
 5133TIP3    H221709   2.072   4.413  -1.447
 5134TIP3   OH221710   2.637  -2.773  -1.698
 5134TIP3    H121711   2.687  -2.852  -1.726
 5134TIP3    H221712   2.704  -2.703  -1.705
 5135TIP3   OH221713   2.787  -2.992  -1.839
 5135TIP3    H121714   2.723  -3.035  -1.898
 5135TIP3    H221715   2.781  -3.049  -1.760
 5136TIP3   OH221716   2.935  -3.113  -0.981
 5136TIP3    H121717   2.925  -3.170  -1.059
 5136TIP3    H221718   2.941  -3.024  -1.023
 5137TIP3   OH221719   2.361  -3.417  -2.016
 5137TIP3    H121720   2.294  -3.354  -2.050
 5137TIP3    H221721   2.432  -3.408  -2.081
 5138TIP3   OH221722   2.391  -3.596  -2.310
 5138TIP3    H121723   2.459  -3.565  -2.249
 5138TIP3    H221724   2.444  -3.652  -2.369
 5139TIP3   OH221725   3.111  -3.489  -1.193
 5139TIP3    H121726   3.039  -3.424  -1.183
 5139TIP3    H221727   3.159  -3.452  -1.270
 5140TIP3   OH221728   2.713  -3.416  -1.908
 5140TIP3    H121729   2.644  -3.392  -1.842
 5140TIP3    H221730   2.773  -3.469  -1.853
 5141TIP3   OH221731   2.697  -3.562  -1.025
 5141TIP3    H121732   2.703  -3.482  -0.971
 5141TIP3    H221733   2.632  -3.530  -1.090
 5142TIP3   OH221734   1.872  -3.337  -1.730
 5142TIP3    H121735   1.841  -3.381  -1.812
 5142TIP3    H221736   1.938  -3.401  -1.697
 5143TIP3   OH221737   2.009  -2.997  -1.457
 5143TIP3    H121738   1.998  -3.037  -1.544
 5143TIP3    H221739   2.088  -3.042  -1.423
 5144TIP3   OH221740   1.934  -3.459  -1.381
 5144TIP3    H121741   1.990  -3.451  -1.460
 5144TIP3    H221742   1.969  -3.389  -1.322
 5145TIP3   OH221743   2.531  -2.904  -1.324
 5145TIP3    H121744   2.526  -2.836  -1.254
 5145TIP3    H221745   2.508  -2.986  -1.277
 5146TIP3   OH221746   2.014  -3.026  -0.897
 5146TIP3    H121747   1.965  -2.958  -0.848
 5146TIP3    H221748   1.950  -3.050  -0.966
 5147TIP3   OH221749   2.611  -3.474  -2.162
 5147TIP3    H121750   2.655  -3.442  -2.080
 5147TIP3    H221751   2.659  -3.421  -2.230
 5148TIP3   OH221752   1.708  -3.387  -0.985
 5148TIP3    H121753   1.714  -3.327  -0.909
 5148TIP3    H221754   1.612  -3.398  -0.993
 5149TIP3   OH221755   2.354  -2.810  -1.806
 5149TIP3    H121756   2.400  -2.781  -1.726
 5149TIP3    H221757   2.304  -2.731  -1.832
 5150TIP3   OH221758   1.826  -2.810  -0.817
 5150TIP3    H121759   1.813  -2.802  -0.913
 5150TIP3    H221760   1.737  -2.833  -0.784
 5151TIP3   OH221761   2.991  -4.338  -2.163
 5151TIP3    H121762   2.897  -4.324  -2.143
 5151TIP3    H221763   3.013  -4.255  -2.207
 5152TIP3   OH221764   1.765  -3.464  -1.977
 5152TIP3    H121765   1.744  -3.387  -2.032
 5152TIP3    H221766   1.697  -3.527  -2.003
 5153TIP3   OH221767   3.091  -2.881  -2.362
 5153TIP3    H121768   3.107  -2.788  -2.337
 5153TIP3    H221769   3.177  -2.923  -2.340
 5154TIP3   OH221770   1.373  -3.196  -1.104
 5154TIP3    H121771   1.325  -3.195  -1.189
 5154TIP3    H221772   1.383  -3.292  -1.088
 5155TIP3   OH221773   1.377  -2.902  -1.413
 5155TIP3    H121774   1.469  -2.932  -1.405
 5155TIP3    H221775   1.369  -2.843  -1.337
 5156TIP3   OH221776   3.217  -2.846  -0.826
 5156TIP3    H121777   3.201  -2.939  -0.850
 5156TIP3    H221778   3.125  -2.818  -0.805
 5157TIP3   OH221779   2.279  -2.920  -0.954
 5157TIP3    H121780   2.288  -2.837  -0.902
 5157TIP3    H221781   2.189  -2.948  -0.930
 5158TIP3   OH221782   2.309  -2.538  -1.958
 5158TIP3    H121783   2.308  -2.525  -2.054
 5158TIP3    H221784   2.310  -2.447  -1.923
 5159TIP3   OH221785   1.689  -2.625  -1.795
 5159TIP3    H121786   1.704  -2.669  -1.709
 5159TIP3    H221787   1.604  -2.664  -1.821
 5160TIP3   OH221788   2.637  -2.597  -2.241
 5160TIP3    H121789   2.694  -2.664  -2.283
 5160TIP3    H221790   2.631  -2.631  -2.149
 5161TIP3   OH221791   2.577  -2.654  -1.961
 5161TIP3    H121792   2.482  -2.638  -1.944
 5161TIP3    H221793   2.595  -2.721  -1.893
 5162TIP3   OH221794   2.895  -3.709  -0.794
 5162TIP3    H121795   2.842  -3.668  -0.864
 5162TIP3    H221796   2.901  -3.801  -0.824
 5163TIP3   OH221797   1.590  -3.041  -0.981
 5163TIP3    H121798   1.616  -3.087  -0.898
 5163TIP3    H221799   1.516  -3.095  -1.013
 5164TIP3   OH221800   1.909  -4.219  -1.390
 5164TIP3    H121801   1.824  -4.236  -1.432
 5164TIP3    H221802   1.890  -4.136  -1.344
 5165TIP3   OH221803   2.365  -4.263  -1.031
 5165TIP3    H121804   2.385  -4.309  -0.949
 5165TIP3    H221805   2.270  -4.277  -1.039
 5166TIP3   OH221806   2.664  -3.863  -0.989
 5166TIP3    H121807   2.605  -3.875  -0.912
 5166TIP3    H221808   2.658  -3.767  -1.006
 5167TIP3   OH221809   2.763  -3.365  -2.363
 5167TIP3    H121810   2.744  -3.380  -2.457
 5167TIP3    H221811   2.855  -3.336  -2.367
 5168TIP3   OH221812   2.330  -3.996  -2.316
 5168TIP3    H121813   2.275  -4.004  -2.236
 5168TIP3    H221814   2.279  -4.054  -2.376
 5169TIP3   OH221815   1.895  -3.716  -1.262
 5169TIP3    H121816   1.835  -3.703  -1.186
 5169TIP3    H221817   1.903  -3.625  -1.297
 5170TIP3   OH221818   1.889  -3.709  -1.773
 5170TIP3    H121819   1.793  -3.717  -1.788
 5170TIP3    H221820   1.923  -3.726  -1.863
 5171TIP3   OH221821   2.451  -3.652  -1.898
 5171TIP3    H121822   2.410  -3.569  -1.928
 5171TIP3    H221823   2.517  -3.666  -1.967
 5172TIP3   OH221824   2.371  -3.633  -0.765
 5172TIP3    H121825   2.318  -3.706  -0.725
 5172TIP3    H221826   2.457  -3.644  -0.720
 5173TIP3   OH221827   2.536  -3.712  -1.618
 5173TIP3    H121828   2.507  -3.651  -1.689
 5173TIP3    H221829   2.552  -3.792  -1.671
 5174TIP3   OH221830   1.634  -3.698  -1.081
 5174TIP3    H121831   1.655  -3.667  -0.993
 5174TIP3    H221832   1.592  -3.784  -1.061
 5175TIP3   OH221833   1.968  -3.944  -2.422
 5175TIP3    H121834   1.933  -3.978  -2.338
 5175TIP3    H221835   1.888  -3.927  -2.473
 5176TIP3   OH221836   1.313  -3.954  -1.717
 5176TIP3    H121837   1.368  -3.955  -1.636
 5176TIP3    H221838   1.370  -3.995  -1.783
 5177TIP3   OH221839   1.471  -3.911  -2.145
 5177TIP3    H121840   1.525  -3.859  -2.207
 5177TIP3    H221841   1.400  -3.847  -2.125
 5178TIP3   OH221842   2.444  -3.544  -1.174
 5178TIP3    H121843   2.489  -3.617  -1.222
 5178TIP3    H221844   2.413  -3.589  -1.094
 5179TIP3   OH221845   2.167  -3.945  -1.676
 5179TIP3    H121846   2.072  -3.957  -1.655
 5179TIP3    H221847   2.208  -3.970  -1.591
 5180TIP3   OH221848   1.624  -3.826  -1.804
 5180TIP3    H121849   1.542  -3.797  -1.849
 5180TIP3    H221850   1.649  -3.908  -1.852
 5181TIP3   OH221851   1.987  -3.793  -2.036
 5181TIP3    H121852   2.083  -3.782  -2.032
 5181TIP3    H221853   1.959  -3.733  -2.107
 5182TIP3   OH221854   2.601  -4.033  -1.373
 5182TIP3    H121855   2.541  -4.034  -1.295
 5182TIP3    H221856   2.539  -4.064  -1.441
 5183TIP3   OH221857   1.834  -3.674  -2.259
 5183TIP3    H121858   1.774  -3.695  -2.332
 5183TIP3    H221859   1.914  -3.648  -2.307
 5184TIP3   OH221860   2.906  -2.457  -0.704
 5184TIP3    H121861   2.925  -2.414  -0.789
 5184TIP3    H221862   2.977  -2.424  -0.647
 5185TIP3   OH221863   1.696  -3.196  -0.762
 5185TIP3    H121864   1.764  -3.186  -0.691
 5185TIP3    H221865   1.616  -3.195  -0.706
 5186TIP3   OH221866   2.268  -3.695  -1.489
 5186TIP3    H121867   2.341  -3.739  -1.535
 5186TIP3    H221868   2.251  -3.755  -1.414
 5187TIP3   OH221869   1.781  -4.067  -1.868
 5187TIP3    H121870   1.736  -4.152  -1.854
 5187TIP3    H221871   1.867  -4.094  -1.902
 5188TIP3   OH221872   2.165  -3.848  -1.263
 5188TIP3    H121873   2.089  -3.788  -1.263
 5188TIP3    H221874   2.214  -3.821  -1.183
 5189TIP3   OH221875   2.180  -3.211  -2.075
 5189TIP3    H121876   2.103  -3.260  -2.110
 5189TIP3    H221877   2.159  -3.204  -1.979
 5190TIP3   OH221878   2.902  -3.298  -1.201
 5190TIP3    H121879   2.952  -3.241  -1.264
 5190TIP3    H221880   2.816  -3.306  -1.247
 5191TIP3   OH221881   2.597  -3.931  -2.314
 5191TIP3    H121882   2.498  -3.939  -2.311
 5191TIP3    H221883   2.615  -3.862  -2.246
 5192TIP3   OH221884   2.341  -3.210  -0.943
 5192TIP3    H121885   2.313  -3.239  -0.854
 5192TIP3    H221886   2.314  -3.116  -0.943
 5193TIP3   OH221887   2.662  -3.749  -2.100
 5193TIP3    H121888   2.748  -3.760  -2.056
 5193TIP3    H221889   2.668  -3.658  -2.135
 5194TIP3   OH221890   1.694  -3.270  -1.492
 5194TIP3    H121891   1.749  -3.282  -1.571
 5194TIP3    H221892   1.702  -3.357  -1.449
 5195TIP3   OH221893   2.418  -3.073  -2.184
 5195TIP3    H121894   2.393  -2.987  -2.145
 5195TIP3    H221895   2.343  -3.128  -2.155
 5196TIP3   OH221896   1.420  -3.444  -0.967
 5196TIP3    H121897   1.434  -3.489  -0.881
 5196TIP3    H221898   1.356  -3.503  -1.012
 5197TIP3   OH221899   2.116  -3.494  -0.767
 5197TIP3    H121900   2.081  -3.517  -0.855
 5197TIP3    H221901   2.210  -3.519  -0.778
 5198TIP3   OH221902   2.568  -2.956  -0.995
 5198TIP3    H121903   2.472  -2.940  -1.000
 5198TIP3    H221904   2.588  -2.923  -0.905
 5199TIP3   OH221905   3.121  -3.746  -2.118
 5199TIP3    H121906   3.065  -3.761  -2.198
 5199TIP3    H221907   3.135  -3.650  -2.130
 5200TIP3   OH221908   3.168  -3.144  -0.838
 5200TIP3    H121909   3.074  -3.121  -0.857
 5200TIP3    H221910   3.201  -3.158  -0.929
 5201TIP3   OH221911   2.935  -2.885  -2.115
 5201TIP3    H121912   2.918  -2.957  -2.051
 5201TIP3    H221913   3.000  -2.924  -2.175
 5202TIP3   OH221914   2.668  -3.350  -1.370
 5202TIP3    H121915   2.574  -3.364  -1.394
 5202TIP3    H221916   2.711  -3.421  -1.421
 5203TIP3   OH221917   1.931  -2.943  -1.771
 5203TIP3    H121918   1.973  -2.856  -1.779
 5203TIP3    H221919   1.839  -2.923  -1.788
 5204TIP3   OH221920   1.530  -3.463  -2.306
 5204TIP3    H121921   1.587  -3.394  -2.266
 5204TIP3    H221922   1.442  -3.437  -2.271
 5205TIP3   OH221923   2.114  -3.173  -1.806
 5205TIP3    H121924   2.084  -3.082  -1.791
 5205TIP3    H221925   2.043  -3.223  -1.762
 5206TIP3   OH221926   2.131  -2.748  -1.170
 5206TIP3    H121927   2.185  -2.671  -1.197
 5206TIP3    H221928   2.192  -2.795  -1.112
 5207TIP3   OH221929   1.975  -2.652  -1.847
 5207TIP3    H121930   1.880  -2.637  -1.836
 5207TIP3    H221931   2.011  -2.565  -1.821
 5208TIP3   OH221932   2.469  -3.175  -1.214
 5208TIP3    H121933   2.442  -3.197  -1.123
 5208TIP3    H221934   2.546  -3.232  -1.227
 5209TIP3   OH221935   2.688  -3.042  -2.321
 5209TIP3    H121936   2.730  -3.086  -2.245
 5209TIP3    H221937   2.595  -3.055  -2.295
 5210TIP3   OH221938   2.763  -2.710  -0.972
 5210TIP3    H121939   2.689  -2.755  -1.016
 5210TIP3    H221940   2.781  -2.635  -1.031
 5211TIP3   OH221941   3.165  -2.613  -2.274
 5211TIP3    H121942   3.236  -2.547  -2.281
 5211TIP3    H221943   3.088  -2.554  -2.265
 5212TIP3   OH221944   1.552  -3.961  -1.007
 5212TIP3    H121945   1.461  -3.942  -1.038
 5212TIP3    H221946   1.536  -4.048  -0.964
 5213TIP3   OH221947   2.783  -3.184  -2.086
 5213TIP3    H121948   2.757  -3.252  -2.022
 5213TIP3    H221949   2.880  -3.180  -2.073
 5214TIP3   OH221950   1.527  -2.804  -1.166
 5214TIP3    H121951   1.557  -2.894  -1.146
 5214TIP3    H221952   1.546  -2.760  -1.083
 5215TIP3   OH221953   2.113  -2.937  -2.464
 5215TIP3    H121954   2.141  -3.017  -2.511
 5215TIP3    H221955   2.070  -2.975  -2.385
 5216TIP3   OH221956   1.998  -2.985  -2.193
 5216TIP3    H121957   2.046  -3.036  -2.127
 5216TIP3    H221958   2.011  -2.893  -2.160
 5217TIP3   OH221959   1.681  -3.241  -2.152
 5217TIP3    H121960   1.607  -3.203  -2.100
 5217TIP3    H221961   1.727  -3.160  -2.180
 5218TIP3   OH221962   2.446  -4.010  -1.144
 5218TIP3    H121963   2.503  -3.980  -1.072
 5218TIP3    H221964   2.406  -4.091  -1.107
 5219TIP3   OH221965   2.531  -4.061  -2.027
 5219TIP3    H121966   2.524  -3.999  -2.101
 5219TIP3    H221967   2.555  -4.001  -1.954
 5220TIP3   OH221968   2.290  -2.825  -2.131
 5220TIP3    H121969   2.210  -2.774  -2.109
 5220TIP3    H221970   2.327  -2.773  -2.203
 5221TIP3   OH221971   2.258  -3.854  -1.925
 5221TIP3    H121972   2.328  -3.786  -1.911
 5221TIP3    H221973   2.225  -3.867  -1.834
 5222TIP3   OH221974   2.288  -3.762  -1.015
 5222TIP3    H121975   2.293  -3.709  -0.934
 5222TIP3    H221976   2.346  -3.836  -0.993
 5223TIP3   OH221977   2.331  -4.173  -1.822
 5223TIP3    H121978   2.291  -4.098  -1.774
 5223TIP3    H221979   2.378  -4.128  -1.893
 5224TIP3   OH221980   2.011  -2.715  -2.129
 5224TIP3    H121981   2.005  -2.633  -2.182
 5224TIP3    H221982   1.997  -2.681  -2.039
 5225TIP3   OH221983   1.880  -4.050  -2.177
 5225TIP3    H121984   1.882  -3.969  -2.124
 5225TIP3    H221985   1.968  -4.087  -2.155
 5226TIP3   OH221986   2.925  -3.963  -0.932
 5226TIP3    H121987   2.829  -3.952  -0.942
 5226TIP3    H221988   2.946  -3.988  -1.023
 5227TIP3   OH221989   2.769  -3.575  -1.525
 5227TIP3    H121990   2.685  -3.619  -1.548
 5227TIP3    H221991   2.816  -3.646  -1.476
 5228TIP3   OH221992   1.724  -2.960  -2.276
 5228TIP3    H121993   1.796  -2.910  -2.236
 5228TIP3    H221994   1.774  -3.010  -2.342
 5229TIP3   OH221995   1.539  -3.744  -2.366
 5229TIP3    H121996   1.550  -3.650  -2.342
 5229TIP3    H221997   1.451  -3.744  -2.406
 5230TIP3   OH221998   1.558  -4.242  -1.465
 5230TIP3    H121999   1.592  -4.241  -1.555
 5230TIP3    H222000   1.573  -4.335  -1.443
 5231TIP3   OH222001   1.518  -2.892  -1.860
 5231TIP3    H122002   1.443  -2.838  -1.831
 5231TIP3    H222003   1.557  -2.836  -1.929
 5232TIP3   OH222004   1.457  -2.594  -0.739
 5232TIP3    H122005   1.513  -2.621  -0.663
 5232TIP3    H222006   1.417  -2.678  -0.766
 5233TIP3   OH222007   1.923  -2.695  -0.563
 5233TIP3    H122008   1.998  -2.754  -0.543
 5233TIP3    H222009   1.906  -2.718  -0.656
 5234TIP3   OH222010   2.334  -2.766  -2.415
 5234TIP3    H122011   2.257  -2.826  -2.421
 5234TIP3    H222012   2.404  -2.824  -2.450
 5235TIP3   OH222013   2.578  -2.867  -0.708
 5235TIP3    H122014   2.538  -2.947  -0.669
 5235TIP3    H222015   2.645  -2.842  -0.642
 5236TIP3   OH222016   2.798  -2.777  -2.404
 5236TIP3    H122017   2.811  -2.855  -2.347
 5236TIP3    H222018   2.880  -2.777  -2.457
 5237TIP3   OH222019   1.455  -3.236  -0.631
 5237TIP3    H122020   1.464  -3.325  -0.667
 5237TIP3    H222021   1.378  -3.204  -0.682
 5238TIP3   OH222022   1.877  -3.193  -2.430
 5238TIP3    H122023   1.892  -3.251  -2.353
 5238TIP3    H222024   1.964  -3.197  -2.474
 5239TIP3   OH222025   2.119  -3.216  -0.697
 5239TIP3    H122026   2.088  -3.182  -0.782
 5239TIP3    H222027   2.124  -3.313  -0.713
 5240TIP3   OH222028   2.402  -3.059  -2.468
 5240TIP3    H122029   2.396  -3.064  -2.371
 5240TIP3    H222030   2.395  -3.155  -2.490
 5241TIP3   OH222031   2.656  -3.253  -0.959
 5241TIP3    H122032   2.735  -3.200  -0.976
 5241TIP3    H222033   2.587  -3.185  -0.959
 5242TIP3   OH222034   1.541  -3.523  -0.714
 5242TIP3    H122035   1.616  -3.586  -0.712
 5242TIP3    H222036   1.536  -3.499  -0.620
 5243TIP3   OH222037   1.985  -3.385  -2.196
 5243TIP3    H122038   1.924  -3.435  -2.140
 5243TIP3    H222039   2.015  -3.454  -2.259
 5244TIP3   OH222040   1.908  -3.609  -0.970
 5244TIP3    H122041   1.852  -3.531  -0.951
 5244TIP3    H222042   1.972  -3.572  -1.033
 5245TIP3   OH222043   2.080  -3.584  -2.370
 5245TIP3    H122044   2.076  -3.575  -2.467
 5245TIP3    H222045   2.176  -3.587  -2.355
 5246TIP3   OH222046   2.437  -3.338  -0.615
 5246TIP3    H122047   2.528  -3.356  -0.645
 5246TIP3    H222048   2.413  -3.422  -0.573
 5247TIP3   OH222049   3.032  -3.332  -2.438
 5247TIP3    H122050   3.021  -3.372  -2.525
 5247TIP3    H222051   3.022  -3.237  -2.460
 5248TIP3   OH222052   1.966  -3.879  -0.860
 5248TIP3    H122053   1.974  -3.943  -0.932
 5248TIP3    H222054   1.945  -3.797  -0.908
 5249TIP3   OH222055   2.005  -4.039  -1.119
 5249TIP3    H122056   2.057  -3.980  -1.178
 5249TIP3    H222057   1.913  -4.025  -1.151
 5250TIP3   OH222058   2.155  -3.488  -1.072
 5250TIP3    H122059   2.240  -3.493  -1.119
 5250TIP3    H222060   2.123  -3.400  -1.101
 5251TIP3   OH222061   2.611  -3.694  -0.595
 5251TIP3    H122062   2.633  -3.786  -0.576
 5251TIP3    H222063   2.700  -3.653  -0.597
 5252TIP3   OH222064   2.711  -3.415  -0.745
 5252TIP3    H122065   2.675  -3.353  -0.812
 5252TIP3    H222066   2.801  -3.428  -0.782
 5253TIP3   OH222067   1.789  -3.697  -0.674
 5253TIP3    H122068   1.736  -3.778  -0.676
 5253TIP3    H222069   1.869  -3.725  -0.722
 5254TIP3   OH222070   2.051  -4.278  -0.998
 5254TIP3    H122071   2.066  -4.187  -1.031
 5254TIP3    H222072   1.957  -4.285  -1.015
 5255TIP3   OH222073   2.200  -3.845  -0.700
 5255TIP3    H122074   2.168  -3.871  -0.612
 5255TIP3    H222075   2.119  -3.863  -0.752
 5256TIP3   OH222076   2.458  -3.946  -0.803
 5256TIP3    H122077   2.370  -3.930  -0.765
 5256TIP3    H222078   2.496  -4.009  -0.739
 5257TIP3   OH222079   2.632  -4.137  -0.633
 5257TIP3    H122080   2.618  -4.224  -0.594
 5257TIP3    H222081   2.618  -4.077  -0.558
 5258TIP3   OH222082   1.668  -3.960  -0.689
 5258TIP3    H122083   1.640  -4.020  -0.761
 5258TIP3    H222084   1.621  -3.997  -0.613
 5259TIP3   OH222085   2.163  -4.147  -0.589
 5259TIP3    H122086   2.139  -4.228  -0.636
 5259TIP3    H222087   2.078  -4.098  -0.584
 5260TIP3   OH222088   2.058  -2.462  -2.261
 5260TIP3    H122089   2.153  -2.447  -2.248
 5260TIP3    H222090   2.043  -2.413  -2.343
 5261TIP3   OH222091   1.448  -3.020  -2.307
 5261TIP3    H122092   1.543  -3.001  -2.293
 5261TIP3    H222093   1.451  -3.099  -2.365
 5262TIP3   OH222094   1.349  -2.502  -1.834
 5262TIP3    H122095   1.276  -2.539  -1.887
 5262TIP3    H222096   1.358  -2.570  -1.764
 5263TIP3   OH222097   1.388  -2.700  -1.635
 5263TIP3    H122098   1.357  -2.786  -1.602
 5263TIP3    H222099   1.421  -2.662  -1.552
 5264TIP3   OH222100   3.133  -2.622  -1.017
 5264TIP3    H122101   3.106  -2.663  -1.101
 5264TIP3    H222102   3.184  -2.693  -0.976
 5265TIP3   OH222103   2.931  -3.087  -0.614
 5265TIP3    H122104   2.842  -3.076  -0.578
 5265TIP3    H222105   2.975  -3.004  -0.589
 5266TIP3   OH222106   3.072  -3.195  -2.045
 5266TIP3    H122107   3.162  -3.162  -2.027
 5266TIP3    H222108   3.062  -3.257  -1.971
 5267TIP3   OH222109   3.117  -3.401  -1.849
 5267TIP3    H122110   3.050  -3.454  -1.802
 5267TIP3    H222111   3.184  -3.385  -1.779
 5268TIP3   OH222112   3.083  -3.152  -1.346
 5268TIP3    H122113   3.149  -3.190  -1.405
 5268TIP3    H222114   3.089  -3.058  -1.371
 5269TIP3   OH222115   2.953  -2.878  -1.110
 5269TIP3    H122116   2.891  -2.812  -1.074
 5269TIP3    H222117   2.926  -2.883  -1.204
 5270TIP3   OH222118   3.142  -3.455  -2.188
 5270TIP3    H122119   3.092  -3.425  -2.266
 5270TIP3    H222120   3.129  -3.381  -2.127
 5271TIP3   OH222121   2.973  -3.701  -2.362
 5271TIP3    H122122   2.996  -3.637  -2.430
 5271TIP3    H222123   2.945  -3.778  -2.415
 5272TIP3   OH222124   2.911  -3.586  -1.764
 5272TIP3    H122125   2.900  -3.681  -1.779
 5272TIP3    H222126   2.873  -3.574  -1.674
 5273TIP3   OH222127   1.394  -3.366  -1.395
 5273TIP3    H122128   1.420  -3.358  -1.488
 5273TIP3    H222129   1.481  -3.385  -1.354
 5274TIP3   OH222130   2.970  -3.395  -0.850
 5274TIP3    H122131   3.046  -3.453  -0.831
 5274TIP3    H222132   3.013  -3.310  -0.871
 5275TIP3   OH222133   3.128  -3.584  -0.729
 5275TIP3    H122134   3.047  -3.636  -0.752
 5275TIP3    H222135   3.196  -3.653  -0.731
 5276TIP3   OH222136   2.911  -3.969  -2.448
 5276TIP3    H122137   2.968  -4.012  -2.381
 5276TIP3    H222138   2.827  -4.017  -2.440
 5277TIP3   OH222139   2.895  -3.836  -1.945
 5277TIP3    H122140   2.922  -3.929  -1.943
 5277TIP3    H222141   2.973  -3.795  -1.987
 5278TIP3   OH222142   2.920  -3.776  -1.407
 5278TIP3    H122143   3.017  -3.766  -1.407
 5278TIP3    H222144   2.903  -3.775  -1.311
 5279TIP3   OH222145   2.933  -3.706  -1.123
 5279TIP3    H122146   2.850  -3.665  -1.094
 5279TIP3    H222147   2.989  -3.628  -1.142
 5280TIP3   OH222148   1.381  -3.836  -0.741
 5280TIP3    H122149   1.473  -3.859  -0.760
 5280TIP3    H222150   1.336  -3.922  -0.745
 5281TIP3   OH222151   3.151  -4.278  -0.543
 5281TIP3    H122152   3.203  -4.356  -0.564
 5281TIP3    H222153   3.155  -4.219  -0.622
 5282TIP3   OH222154   2.943  -4.120  -1.945
 5282TIP3    H122155   2.939  -4.144  -1.851
 5282TIP3    H222156   2.865  -4.166  -1.980
 5283TIP3   OH222157   1.458  -3.991  -1.478
 5283TIP3    H122158   1.489  -4.083  -1.462
 5283TIP3    H222159   1.529  -3.939  -1.436
 5284TIP3   OH222160   1.319  -3.728  -1.369
 5284TIP3    H122161   1.373  -3.729  -1.448
 5284TIP3    H222162   1.353  -3.650  -1.323
 5285TIP3   OH222163   3.130  -4.111  -0.759
 5285TIP3    H122164   3.044  -4.064  -0.751
 5285TIP3    H222165   3.120  -4.146  -0.849
 5286TIP3   OH222166   3.134  -4.065  -2.273
 5286TIP3    H122167   3.158  -4.144  -2.324
 5286TIP3    H222168   3.216  -4.013  -2.273
 5287TIP3   OH222169   1.371  -4.105  -1.969
 5287TIP3    H122170   1.276  -4.092  -1.983
 5287TIP3    H222171   1.410  -4.033  -2.024
 5288TIP3   OH222172   2.827  -2.562  -1.754
 5288TIP3    H122173   2.879  -2.593  -1.830
 5288TIP3    H222174   2.897  -2.536  -1.692
 5289TIP3   OH222175   1.352  -4.128  -1.112
 5289TIP3    H122176   1.348  -4.222  -1.087
 5289TIP3    H222177   1.324  -4.131  -1.205
 5290TIP3   OH222178   1.569  -2.901  -0.682
 5290TIP3    H122179   1.496  -2.896  -0.745
 5290TIP3    H222180   1.524  -2.895  -0.597
 5291TIP3   OH222181   1.854  -2.799  -1.115
 5291TIP3    H122182   1.822  -2.713  -1.149
 5291TIP3    H222183   1.950  -2.788  -1.132
 5292TIP3   OH222184   2.306  -2.671  -0.814
 5292TIP3    H122185   2.319  -2.683  -0.718
 5292TIP3    H222186   2.388  -2.622  -0.839
 5293TIP3   OH222187   2.533  -2.522  -0.889
 5293TIP3    H122188   2.604  -2.584  -0.912
 5293TIP3    H222189   2.563  -2.491  -0.801
 5294TIP3   OH222190   2.993  -4.277  -0.969
 5294TIP3    H122191   2.944  -4.213  -1.023
 5294TIP3    H222192   3.004  -4.348  -1.034
 5295TIP3   OH222193   1.591  -2.506  -1.081
 5295TIP3    H122194   1.532  -2.443  -1.125
 5295TIP3    H222195   1.562  -2.495  -0.989
 5296TIP3   OH222196   1.840  -2.527  -1.227
 5296TIP3    H122197   1.756  -2.507  -1.182
 5296TIP3    H222198   1.845  -2.455  -1.294
 5297TIP3   OH222199   2.316  -2.525  -1.270
 5297TIP3    H122200   2.278  -2.479  -1.347
 5297TIP3    H222201   2.325  -2.452  -1.206
 5298TIP3   OH222202   2.548  -2.657  -1.179
 5298TIP3    H122203   2.465  -2.615  -1.209
 5298TIP3    H222204   2.610  -2.582  -1.184
 5299TIP3   OH222205   2.808  -2.498  -1.177
 5299TIP3    H122206   2.799  -2.404  -1.200
 5299TIP3    H222207   2.858  -2.529  -1.255
 5300TIP3   OH222208   1.550  -2.623  -1.388
 5300TIP3    H122209   1.546  -2.671  -1.302
 5300TIP3    H222210   1.627  -2.667  -1.429
 5301TIP3   OH222211   1.752  -2.749  -1.545
 5301TIP3    H122212   1.736  -2.840  -1.515
 5301TIP3    H222213   1.842  -2.732  -1.511
 5302TIP3   OH222214   2.026  -2.702  -1.454
 5302TIP3    H122215   2.046  -2.796  -1.474
 5302TIP3    H222216   2.034  -2.703  -1.357
 5303TIP3   OH222217   2.359  -4.112  -1.523
 5303TIP3    H122218   2.294  -4.181  -1.496
 5303TIP3    H222219   2.414  -4.161  -1.585
 5304TIP3   OH222220   2.886  -4.334  -1.482
 5304TIP3    H122221   2.940  -4.283  -1.543
 5304TIP3    H222222   2.796  -4.309  -1.507
 5305TIP3   OH222223   3.091  -4.227  -1.712
 5305TIP3    H122224   3.157  -4.207  -1.778
 5305TIP3    H222225   3.087  -4.139  -1.668
 5306TIP3   OH222226   1.594  -4.285  -1.797
 5306TIP3    H122227   1.501  -4.304  -1.812
 5306TIP3    H222228   1.627  -4.364  -1.753
 5307TIP3   OH222229   1.449  -4.291  -2.168
 5307TIP3    H122230   1.496  -4.243  -2.239
 5307TIP3    H222231   1.416  -4.217  -2.114
 5308TIP3   OH222232   2.042  -4.228  -1.769
 5308TIP3    H122233   2.137  -4.235  -1.784
 5308TIP3    H222234   2.027  -4.292  -1.698
 5309TIP3   OH222235   2.607  -4.266  -1.628
 5309TIP3    H122236   2.624  -4.265  -1.722
 5309TIP3    H222237   2.583  -4.358  -1.611
 5310TIP3   OH222238   2.712  -4.274  -2.044
 5310TIP3    H122239   2.637  -4.211  -2.052
 5310TIP3    H222240   2.666  -4.359  -2.035
 5311TIP3   OH222241   1.492  -2.697  -2.066
 5311TIP3    H122242   1.428  -2.706  -2.138
 5311TIP3    H222243   1.491  -2.601  -2.054
 5312TIP3   OH222244   1.642  -4.128  -2.325
 5312TIP3    H122245   1.714  -4.160  -2.383
 5312TIP3    H222246   1.694  -4.074  -2.262
 5313TIP3   OH222247   2.170  -4.060  -2.098
 5313TIP3    H122248   2.172  -4.144  -2.048
 5313TIP3    H222249   2.183  -3.992  -2.029
 5314TIP3   OH222250   2.363  -2.512  -2.253
 5314TIP3    H122251   2.460  -2.513  -2.255
 5314TIP3    H222252   2.342  -2.579  -2.320
 5315TIP3   OH222253   3.017  -2.612  -1.997
 5315TIP3    H122254   2.989  -2.695  -2.041
 5315TIP3    H222255   3.004  -2.547  -2.067
 5316TIP3   OH222256   1.555  -4.179  -0.846
 5316TIP3    H122257   1.510  -4.258  -0.815
 5316TIP3    H222258   1.644  -4.216  -0.857
 5317TIP3   OH222259   1.848  -4.279  -0.582
 5317TIP3    H122260   1.935  -4.305  -0.619
 5317TIP3    H222261   1.824  -4.357  -0.531
 5318TIP3   OH222262   1.637  -2.603  -2.384
 5318TIP3    H122263   1.614  -2.573  -2.295
 5318TIP3    H222264   1.716  -2.657  -2.369
 5319TIP3   OH222265   2.960  -2.737  -0.751
 5319TIP3    H122266   2.891  -2.754  -0.818
 5319TIP3    H222267   2.947  -2.641  -0.738
 5320TIP3   OH222268   4.300  -3.437  -1.432
 5320TIP3    H122269   4.256  -3.471  -1.352
 5320TIP3    H222270   4.242  -3.472  -1.502
 5321TIP3   OH222271   3.521  -3.467  -1.270
 5321TIP3    H122272   3.514  -3.539  -1.204
 5321TIP3    H222273   3.583  -3.407  -1.225
 5322TIP3   OH222274   3.585  -2.997  -1.418
 5322TIP3    H122275   3.555  -3.087  -1.441
 5322TIP3    H222276   3.678  -3.014  -1.396
 5323TIP3   OH222277   3.279  -3.665  -1.880
 5323TIP3    H122278   3.246  -3.575  -1.866
 5323TIP3    H222279   3.204  -3.706  -1.923
 5324TIP3   OH222280   3.361  -3.415  -1.697
 5324TIP3    H122281   3.376  -3.495  -1.643
 5324TIP3    H222282   3.446  -3.403  -1.739
 5325TIP3   OH222283   4.123  -3.179  -1.365
 5325TIP3    H122284   4.161  -3.230  -1.438
 5325TIP3    H222285   4.200  -3.133  -1.331
 5326TIP3   OH222286   3.744  -3.941  -1.617
 5326TIP3    H122287   3.760  -3.856  -1.661
 5326TIP3    H222288   3.708  -3.993  -1.692
 5327TIP3   OH222289   3.413  -3.663  -1.569
 5327TIP3    H122290   3.472  -3.711  -1.510
 5327TIP3    H222291   3.422  -3.714  -1.652
 5328TIP3   OH222292   3.957  -3.530  -1.619
 5328TIP3    H122293   4.027  -3.590  -1.586
 5328TIP3    H222294   3.901  -3.592  -1.669
 5329TIP3   OH222295   3.624  -4.055  -1.202
 5329TIP3    H122296   3.588  -3.998  -1.273
 5329TIP3    H222297   3.557  -4.039  -1.133
 5330TIP3   OH222298   3.915  -3.275  -1.190
 5330TIP3    H122299   3.841  -3.217  -1.161
 5330TIP3    H222300   3.977  -3.211  -1.228
 5331TIP3   OH222301   3.583  -3.855  -1.408
 5331TIP3    H122302   3.645  -3.794  -1.363
 5331TIP3    H222303   3.641  -3.890  -1.479
 5332TIP3   OH222304   3.716  -3.084  -1.117
 5332TIP3    H122305   3.713  -2.992  -1.149
 5332TIP3    H222306   3.628  -3.088  -1.074
 5333TIP3   OH222307   3.347  -3.115  -2.032
 5333TIP3    H122308   3.326  -3.062  -2.111
 5333TIP3    H222309   3.366  -3.045  -1.965
 5334TIP3   OH222310   4.047   4.380  -1.480
 5334TIP3    H122311   4.048   4.284  -1.464
 5334TIP3    H222312   3.959   4.408  -1.446
 5335TIP3   OH222313   4.276  -3.420  -2.022
 5335TIP3    H122314   4.204  -3.354  -2.034
 5335TIP3    H222315   4.330  -3.400  -2.098
 5336TIP3   OH222316   4.286  -3.580  -2.309
 5336TIP3    H122317   4.366  -3.585  -2.255
 5336TIP3    H222318   4.292  -3.660  -2.363
 5337TIP3   OH222319   3.760  -3.339  -1.730
 5337TIP3    H122320   3.726  -3.380  -1.812
 5337TIP3    H222321   3.823  -3.404  -1.698
 5338TIP3   OH222322   3.895  -3.001  -1.454
 5338TIP3    H122323   3.886  -3.037  -1.543
 5338TIP3    H222324   3.976  -3.045  -1.422
 5339TIP3   OH222325   3.820  -3.461  -1.381
 5339TIP3    H122326   3.875  -3.452  -1.460
 5339TIP3    H222327   3.852  -3.389  -1.323
 5340TIP3   OH222328   3.903  -3.023  -0.900
 5340TIP3    H122329   3.852  -2.957  -0.850
 5340TIP3    H222330   3.838  -3.048  -0.968
 5341TIP3   OH222331   3.594  -3.387  -0.986
 5341TIP3    H122332   3.601  -3.328  -0.909
 5341TIP3    H222333   3.498  -3.398  -0.993
 5342TIP3   OH222334   4.249  -2.815  -1.808
 5342TIP3    H122335   4.299  -2.762  -1.745
 5342TIP3    H222336   4.199  -2.746  -1.855
 5343TIP3   OH222337   3.712  -2.807  -0.816
 5343TIP3    H122338   3.701  -2.802  -0.912
 5343TIP3    H222339   3.623  -2.832  -0.785
 5344TIP3   OH222340   3.650  -3.464  -1.976
 5344TIP3    H122341   3.631  -3.386  -2.032
 5344TIP3    H222342   3.581  -3.525  -2.005
 5345TIP3   OH222343   3.260  -3.197  -1.104
 5345TIP3    H122344   3.212  -3.192  -1.190
 5345TIP3    H222345   3.267  -3.292  -1.089
 5346TIP3   OH222346   3.273  -2.927  -1.416
 5346TIP3    H122347   3.367  -2.924  -1.395
 5346TIP3    H222348   3.238  -2.847  -1.371
 5347TIP3   OH222349   4.172  -2.924  -0.950
 5347TIP3    H122350   4.183  -2.836  -0.911
 5347TIP3    H222351   4.080  -2.947  -0.926
 5348TIP3   OH222352   4.185  -2.539  -1.959
 5348TIP3    H122353   4.206  -2.533  -2.053
 5348TIP3    H222354   4.207  -2.451  -1.925
 5349TIP3   OH222355   3.575  -2.628  -1.795
 5349TIP3    H122356   3.589  -2.669  -1.707
 5349TIP3    H222357   3.486  -2.660  -1.816
 5350TIP3   OH222358   3.477  -3.043  -0.980
 5350TIP3    H122359   3.502  -3.090  -0.898
 5350TIP3    H222360   3.401  -3.094  -1.013
 5351TIP3   OH222361   3.793  -4.217  -1.390
 5351TIP3    H122362   3.706  -4.233  -1.428
 5351TIP3    H222363   3.776  -4.136  -1.340
 5352TIP3   OH222364   4.225  -4.300  -1.026
 5352TIP3    H122365   4.255  -4.324  -0.937
 5352TIP3    H222366   4.130  -4.285  -1.012
 5353TIP3   OH222367   4.227  -3.990  -2.307
 5353TIP3    H122368   4.161  -4.002  -2.237
 5353TIP3    H222369   4.189  -4.050  -2.374
 5354TIP3   OH222370   3.781  -3.715  -1.261
 5354TIP3    H122371   3.719  -3.705  -1.186
 5354TIP3    H222372   3.785  -3.624  -1.297
 5355TIP3   OH222373   3.776  -3.708  -1.772
 5355TIP3    H122374   3.680  -3.713  -1.788
 5355TIP3    H222375   3.810  -3.726  -1.862
 5356TIP3   OH222376   4.282  -3.688  -1.964
 5356TIP3    H122377   4.255  -3.594  -1.959
 5356TIP3    H222378   4.366  -3.681  -2.010
 5357TIP3   OH222379   4.248  -3.626  -0.746
 5357TIP3    H122380   4.193  -3.706  -0.728
 5357TIP3    H222381   4.336  -3.669  -0.744
 5358TIP3   OH222382   3.523  -3.700  -1.080
 5358TIP3    H122383   3.538  -3.666  -0.991
 5358TIP3    H222384   3.479  -3.785  -1.061
 5359TIP3   OH222385   3.861  -3.940  -2.420
 5359TIP3    H122386   3.821  -3.978  -2.340
 5359TIP3    H222387   3.785  -3.923  -2.476
 5360TIP3   OH222388   3.195  -3.964  -1.714
 5360TIP3    H122389   3.249  -3.953  -1.633
 5360TIP3    H222390   3.262  -3.985  -1.780
 5361TIP3   OH222391   3.356  -3.913  -2.141
 5361TIP3    H122392   3.410  -3.863  -2.205
 5361TIP3    H222393   3.286  -3.848  -2.124
 5362TIP3   OH222394   4.334  -3.562  -1.162
 5362TIP3    H122395   4.380  -3.640  -1.202
 5362TIP3    H222396   4.277  -3.609  -1.099
 5363TIP3   OH222397   4.049  -3.948  -1.657
 5363TIP3    H122398   3.955  -3.965  -1.638
 5363TIP3    H222399   4.093  -3.980  -1.577
 5364TIP3   OH222400   3.505  -3.830  -1.801
 5364TIP3    H122401   3.429  -3.795  -1.852
 5364TIP3    H222402   3.535  -3.906  -1.853
 5365TIP3   OH222403   3.870  -3.786  -2.033
 5365TIP3    H122404   3.966  -3.777  -2.037
 5365TIP3    H222405   3.839  -3.734  -2.109
 5366TIP3   OH222406   3.724  -3.674  -2.260
 5366TIP3    H122407   3.663  -3.694  -2.333
 5366TIP3    H222408   3.805  -3.652  -2.309
 5367TIP3   OH222409   3.583  -3.197  -0.761
 5367TIP3    H122410   3.649  -3.187  -0.690
 5367TIP3    H222411   3.501  -3.196  -0.707
 5368TIP3   OH222412   4.162  -3.697  -1.516
 5368TIP3    H122413   4.207  -3.765  -1.570
 5368TIP3    H222414   4.148  -3.747  -1.434
 5369TIP3   OH222415   3.667  -4.066  -1.869
 5369TIP3    H122416   3.626  -4.153  -1.854
 5369TIP3    H222417   3.753  -4.090  -1.906
 5370TIP3   OH222418   4.055  -3.843  -1.271
 5370TIP3    H122419   3.975  -3.789  -1.269
 5370TIP3    H222420   4.101  -3.815  -1.189
 5371TIP3   OH222421   4.074  -3.229  -2.069
 5371TIP3    H122422   3.994  -3.269  -2.108
 5371TIP3    H222423   4.047  -3.214  -1.975
 5372TIP3   OH222424   4.221  -3.215  -0.954
 5372TIP3    H122425   4.186  -3.240  -0.868
 5372TIP3    H222426   4.210  -3.118  -0.954
 5373TIP3   OH222427   3.579  -3.272  -1.492
 5373TIP3    H122428   3.634  -3.282  -1.571
 5373TIP3    H222429   3.588  -3.359  -1.448
 5374TIP3   OH222430   4.287  -3.083  -2.174
 5374TIP3    H122431   4.260  -2.993  -2.147
 5374TIP3    H222432   4.210  -3.135  -2.142
 5375TIP3   OH222433   3.307  -3.447  -0.968
 5375TIP3    H122434   3.319  -3.488  -0.881
 5375TIP3    H222435   3.242  -3.505  -1.011
 5376TIP3   OH222436   4.002  -3.490  -0.765
 5376TIP3    H122437   3.965  -3.525  -0.848
 5376TIP3    H222438   4.095  -3.519  -0.772
 5377TIP3   OH222439   3.816  -2.943  -1.769
 5377TIP3    H122440   3.856  -2.855  -1.778
 5377TIP3    H222441   3.723  -2.922  -1.786
 5378TIP3   OH222442   3.416  -3.463  -2.305
 5378TIP3    H122443   3.473  -3.394  -2.266
 5378TIP3    H222444   3.328  -3.435  -2.273
 5379TIP3   OH222445   3.996  -3.175  -1.803
 5379TIP3    H122446   3.971  -3.082  -1.791
 5379TIP3    H222447   3.918  -3.220  -1.765
 5380TIP3   OH222448   4.021  -2.745  -1.167
 5380TIP3    H122449   4.077  -2.672  -1.201
 5380TIP3    H222450   4.085  -2.793  -1.113
 5381TIP3   OH222451   3.860  -2.652  -1.847
 5381TIP3    H122452   3.764  -2.638  -1.835
 5381TIP3    H222453   3.896  -2.566  -1.821
 5382TIP3   OH222454   3.438  -3.964  -1.012
 5382TIP3    H122455   3.345  -3.944  -1.038
 5382TIP3    H222456   3.423  -4.047  -0.962
 5383TIP3   OH222457   3.420  -2.802  -1.162
 5383TIP3    H122458   3.440  -2.894  -1.146
 5383TIP3    H222459   3.437  -2.763  -1.076
 5384TIP3   OH222460   3.993  -2.933  -2.463
 5384TIP3    H122461   4.029  -3.009  -2.513
 5384TIP3    H222462   3.957  -2.977  -2.384
 5385TIP3   OH222463   3.887  -2.990  -2.188
 5385TIP3    H122464   3.934  -3.037  -2.118
 5385TIP3    H222465   3.897  -2.897  -2.160
 5386TIP3   OH222466   3.567  -3.242  -2.151
 5386TIP3    H122467   3.493  -3.203  -2.100
 5386TIP3    H222468   3.613  -3.161  -2.180
 5387TIP3   OH222469   4.330  -3.928  -1.091
 5387TIP3    H122470   4.401  -3.994  -1.103
 5387TIP3    H222471   4.273  -3.963  -1.161
 5388TIP3   OH222472   4.167  -2.826  -2.136
 5388TIP3    H122473   4.089  -2.773  -2.112
 5388TIP3    H222474   4.211  -2.766  -2.198
 5389TIP3   OH222475   4.141  -3.908  -1.912
 5389TIP3    H122476   4.199  -3.829  -1.921
 5389TIP3    H222477   4.109  -3.897  -1.819
 5390TIP3   OH222478   4.153  -3.756  -1.003
 5390TIP3    H122479   4.180  -3.711  -0.922
 5390TIP3    H222480   4.222  -3.826  -1.010
 5391TIP3   OH222481   4.205  -4.173  -1.799
 5391TIP3    H122482   4.173  -4.084  -1.774
 5391TIP3    H222483   4.272  -4.152  -1.867
 5392TIP3   OH222484   3.893  -2.718  -2.130
 5392TIP3    H122485   3.891  -2.636  -2.184
 5392TIP3    H222486   3.880  -2.683  -2.040
 5393TIP3   OH222487   3.766  -4.051  -2.177
 5393TIP3    H122488   3.767  -3.968  -2.126
 5393TIP3    H222489   3.857  -4.083  -2.157
 5394TIP3   OH222490   3.611  -2.962  -2.275
 5394TIP3    H122491   3.681  -2.909  -2.235
 5394TIP3    H222492   3.662  -3.010  -2.342
 5395TIP3   OH222493   3.421  -3.746  -2.361
 5395TIP3    H122494   3.436  -3.651  -2.341
 5395TIP3    H222495   3.337  -3.742  -2.409
 5396TIP3   OH222496   3.455  -4.241  -1.463
 5396TIP3    H122497   3.487  -4.249  -1.554
 5396TIP3    H222498   3.451  -4.334  -1.438
 5397TIP3   OH222499   3.404  -2.899  -1.868
 5397TIP3    H122500   3.339  -2.845  -1.820
 5397TIP3    H222501   3.443  -2.834  -1.929
 5398TIP3   OH222502   3.351  -2.598  -0.744
 5398TIP3    H122503   3.403  -2.628  -0.668
 5398TIP3    H222504   3.307  -2.681  -0.772
 5399TIP3   OH222505   3.818  -2.691  -0.564
 5399TIP3    H122506   3.883  -2.761  -0.544
 5399TIP3    H222507   3.790  -2.717  -0.654
 5400TIP3   OH222508   4.231  -2.768  -2.432
 5400TIP3    H122509   4.147  -2.819  -2.430
 5400TIP3    H222510   4.293  -2.841  -2.445
 5401TIP3   OH222511   3.341  -3.235  -0.631
 5401TIP3    H122512   3.350  -3.326  -0.666
 5401TIP3    H222513   3.264  -3.204  -0.681
 5402TIP3   OH222514   3.762  -3.193  -2.430
 5402TIP3    H122515   3.780  -3.251  -2.354
 5402TIP3    H222516   3.848  -3.195  -2.476
 5403TIP3   OH222517   4.012  -3.213  -0.701
 5403TIP3    H122518   3.975  -3.181  -0.785
 5403TIP3    H222519   4.015  -3.310  -0.713
 5404TIP3   OH222520   4.261  -3.060  -2.474
 5404TIP3    H122521   4.278  -3.049  -2.379
 5404TIP3    H222522   4.244  -3.156  -2.479
 5405TIP3   OH222523   3.428  -3.523  -0.714
 5405TIP3    H122524   3.501  -3.586  -0.711
 5405TIP3    H222525   3.421  -3.499  -0.621
 5406TIP3   OH222526   3.871  -3.387  -2.197
 5406TIP3    H122527   3.808  -3.437  -2.143
 5406TIP3    H222528   3.902  -3.455  -2.259
 5407TIP3   OH222529   3.798  -3.605  -0.967
 5407TIP3    H122530   3.738  -3.531  -0.949
 5407TIP3    H222531   3.852  -3.569  -1.040
 5408TIP3   OH222532   3.978  -3.586  -2.367
 5408TIP3    H122533   3.969  -3.578  -2.464
 5408TIP3    H222534   4.074  -3.572  -2.357
 5409TIP3   OH222535   4.284  -3.359  -0.601
 5409TIP3    H122536   4.358  -3.391  -0.653
 5409TIP3    H222537   4.267  -3.439  -0.547
 5410TIP3   OH222538   3.855  -3.878  -0.856
 5410TIP3    H122539   3.862  -3.943  -0.927
 5410TIP3    H222540   3.838  -3.796  -0.905
 5411TIP3   OH222541   3.892  -4.037  -1.122
 5411TIP3    H122542   3.939  -3.977  -1.182
 5411TIP3    H222543   3.798  -4.026  -1.150
 5412TIP3   OH222544   4.063  -3.489  -1.078
 5412TIP3    H122545   4.138  -3.491  -1.137
 5412TIP3    H222546   4.024  -3.401  -1.095
 5413TIP3   OH222547   3.675  -3.697  -0.677
 5413TIP3    H122548   3.621  -3.778  -0.676
 5413TIP3    H222549   3.755  -3.728  -0.722
 5414TIP3   OH222550   3.941  -4.275  -0.998
 5414TIP3    H122551   3.944  -4.183  -1.033
 5414TIP3    H222552   3.850  -4.298  -1.019
 5415TIP3   OH222553   4.103  -3.852  -0.703
 5415TIP3    H122554   4.075  -3.889  -0.618
 5415TIP3    H222555   4.026  -3.875  -0.758
 5416TIP3   OH222556   3.548  -3.958  -0.691
 5416TIP3    H122557   3.525  -4.023  -0.760
 5416TIP3    H222558   3.510  -3.998  -0.612
 5417TIP3   OH222559   4.054  -4.144  -0.589
 5417TIP3    H122560   4.032  -4.230  -0.631
 5417TIP3    H222561   3.967  -4.101  -0.583
 5418TIP3   OH222562   3.957  -2.465  -2.260
 5418TIP3    H122563   4.052  -2.455  -2.250
 5418TIP3    H222564   3.942  -2.412  -2.340
 5419TIP3   OH222565   3.334  -3.020  -2.308
 5419TIP3    H122566   3.429  -3.001  -2.293
 5419TIP3    H222567   3.337  -3.099  -2.365
 5420TIP3   OH222568   3.237  -2.503  -1.832
 5420TIP3    H122569   3.161  -2.538  -1.883
 5420TIP3    H222570   3.246  -2.570  -1.761
 5421TIP3   OH222571   3.286  -2.704  -1.641
 5421TIP3    H122572   3.243  -2.785  -1.608
 5421TIP3    H222573   3.280  -2.652  -1.559
 5422TIP3   OH222574   3.280  -3.371  -1.395
 5422TIP3    H122575   3.304  -3.355  -1.487
 5422TIP3    H222576   3.368  -3.385  -1.355
 5423TIP3   OH222577   3.266  -3.836  -0.744
 5423TIP3    H122578   3.359  -3.860  -0.755
 5423TIP3    H222579   3.223  -3.922  -0.744
 5424TIP3   OH222580   3.345  -3.995  -1.478
 5424TIP3    H122581   3.381  -4.085  -1.462
 5424TIP3    H222582   3.414  -3.940  -1.437
 5425TIP3   OH222583   3.204  -3.730  -1.374
 5425TIP3    H122584   3.263  -3.724  -1.450
 5425TIP3    H222585   3.235  -3.655  -1.320
 5426TIP3   OH222586   3.239  -4.128  -1.972
 5426TIP3    H122587   3.148  -4.096  -1.983
 5426TIP3    H222588   3.290  -4.056  -2.015
 5427TIP3   OH222589   3.226  -4.127  -1.111
 5427TIP3    H122590   3.240  -4.220  -1.085
 5427TIP3    H222591   3.212  -4.136  -1.206
 5428TIP3   OH222592   3.457  -2.900  -0.679
 5428TIP3    H122593   3.385  -2.898  -0.744
 5428TIP3    H222594   3.408  -2.899  -0.596
 5429TIP3   OH222595   3.742  -2.799  -1.113
 5429TIP3    H122596   3.705  -2.716  -1.148
 5429TIP3    H222597   3.837  -2.785  -1.132
 5430TIP3   OH222598   4.220  -2.637  -0.825
 5430TIP3    H122599   4.205  -2.672  -0.736
 5430TIP3    H222600   4.315  -2.614  -0.818
 5431TIP3   OH222601   3.484  -2.500  -1.075
 5431TIP3    H122602   3.422  -2.451  -1.132
 5431TIP3    H222603   3.434  -2.503  -0.993
 5432TIP3   OH222604   3.732  -2.523  -1.221
 5432TIP3    H122605   3.644  -2.510  -1.180
 5432TIP3    H222606   3.729  -2.458  -1.294
 5433TIP3   OH222607   4.198  -2.549  -1.269
 5433TIP3    H122608   4.177  -2.500  -1.351
 5433TIP3    H222609   4.256  -2.488  -1.223
 5434TIP3   OH222610   3.448  -2.609  -1.376
 5434TIP3    H122611   3.420  -2.663  -1.300
 5434TIP3    H222612   3.504  -2.670  -1.426
 5435TIP3   OH222613   3.635  -2.749  -1.547
 5435TIP3    H122614   3.617  -2.839  -1.513
 5435TIP3    H222615   3.722  -2.729  -1.507
 5436TIP3   OH222616   3.914  -2.697  -1.454
 5436TIP3    H122617   3.931  -2.791  -1.476
 5436TIP3    H222618   3.918  -2.699  -1.358
 5437TIP3   OH222619   4.247  -4.133  -1.520
 5437TIP3    H122620   4.179  -4.201  -1.500
 5437TIP3    H222621   4.292  -4.173  -1.595
 5438TIP3   OH222622   3.483  -4.283  -1.794
 5438TIP3    H122623   3.392  -4.313  -1.798
 5438TIP3    H222624   3.530  -4.357  -1.754
 5439TIP3   OH222625   3.333  -4.300  -2.170
 5439TIP3    H122626   3.379  -4.248  -2.237
 5439TIP3    H222627   3.290  -4.230  -2.117
 5440TIP3   OH222628   3.935  -4.238  -1.784
 5440TIP3    H122629   4.032  -4.226  -1.778
 5440TIP3    H222630   3.917  -4.292  -1.706
 5441TIP3   OH222631   3.384  -2.694  -2.071
 5441TIP3    H122632   3.314  -2.706  -2.136
 5441TIP3    H222633   3.374  -2.601  -2.050
 5442TIP3   OH222634   3.527  -4.129  -2.324
 5442TIP3    H122635   3.598  -4.161  -2.383
 5442TIP3    H222636   3.580  -4.074  -2.263
 5443TIP3   OH222637   4.044  -4.069  -2.101
 5443TIP3    H122638   4.062  -4.155  -2.059
 5443TIP3    H222639   4.065  -4.006  -2.029
 5444TIP3   OH222640   4.264  -2.533  -2.253
 5444TIP3    H122641   4.351  -2.494  -2.272
 5444TIP3    H222642   4.249  -2.590  -2.331
 5445TIP3   OH222643   3.441  -4.177  -0.846
 5445TIP3    H122644   3.393  -4.255  -0.814
 5445TIP3    H222645   3.528  -4.218  -0.857
 5446TIP3   OH222646   3.735  -4.281  -0.580
 5446TIP3    H122647   3.822  -4.307  -0.618
 5446TIP3    H222648   3.711  -4.361  -0.532
 5447TIP3   OH222649   3.524  -2.599  -2.384
 5447TIP3    H122650   3.499  -2.579  -2.293
 5447TIP3    H222651   3.600  -2.658  -2.371
 5448TIP3   OH222652  -3.157  -1.484  -1.749
 5448TIP3    H122653  -3.158  -1.388  -1.734
 5448TIP3    H222654  -3.231  -1.494  -1.812
 5449TIP3   OH222655  -3.261  -1.536  -1.434
 5449TIP3    H122656  -3.271  -1.592  -1.355
 5449TIP3    H222657  -3.295  -1.596  -1.503
 5450TIP3   OH222658  -4.027  -1.580  -1.271
 5450TIP3    H122659  -4.032  -1.652  -1.206
 5450TIP3    H222660  -3.960  -1.523  -1.232
 5451TIP3   OH222661  -2.908  -1.260  -1.599
 5451TIP3    H122662  -2.939  -1.333  -1.544
 5451TIP3    H222663  -2.876  -1.198  -1.532
 5452TIP3   OH222664  -3.959  -1.119  -1.414
 5452TIP3    H122665  -3.987  -1.207  -1.443
 5452TIP3    H222666  -3.864  -1.134  -1.403
 5453TIP3   OH222667  -4.167  -1.676  -1.925
 5453TIP3    H122668  -4.220  -1.606  -1.883
 5453TIP3    H222669  -4.226  -1.751  -1.908
 5454TIP3   OH222670  -4.212  -1.523  -1.683
 5454TIP3    H122671  -4.186  -1.604  -1.635
 5454TIP3    H222672  -4.131  -1.499  -1.730
 5455TIP3   OH222673  -3.200  -0.726  -1.547
 5455TIP3    H122674  -3.142  -0.798  -1.579
 5455TIP3    H222675  -3.229  -0.760  -1.461
 5456TIP3   OH222676  -3.424  -1.288  -1.376
 5456TIP3    H122677  -3.392  -1.356  -1.438
 5456TIP3    H222678  -3.342  -1.270  -1.328
 5457TIP3   OH222679  -2.578  -2.109  -1.329
 5457TIP3    H122680  -2.542  -2.067  -1.249
 5457TIP3    H222681  -2.504  -2.093  -1.391
 5458TIP3   OH222682  -3.092  -1.848  -1.327
 5458TIP3    H122683  -3.082  -1.945  -1.321
 5458TIP3    H222684  -3.093  -1.834  -1.423
 5459TIP3   OH222685  -3.799  -2.052  -1.620
 5459TIP3    H122686  -3.786  -1.966  -1.665
 5459TIP3    H222687  -3.835  -2.105  -1.694
 5460TIP3   OH222688  -3.006  -2.021  -1.787
 5460TIP3    H122689  -2.951  -2.083  -1.735
 5460TIP3    H222690  -2.962  -2.020  -1.875
 5461TIP3   OH222691  -4.138  -1.775  -1.568
 5461TIP3    H122692  -4.080  -1.819  -1.503
 5461TIP3    H222693  -4.121  -1.829  -1.647
 5462TIP3   OH222694  -3.590  -1.642  -1.620
 5462TIP3    H122695  -3.519  -1.698  -1.584
 5462TIP3    H222696  -3.642  -1.707  -1.672
 5463TIP3   OH222697  -2.474  -1.988  -1.071
 5463TIP3    H122698  -2.544  -1.923  -1.087
 5463TIP3    H222699  -2.487  -2.011  -0.978
 5464TIP3   OH222700  -3.919  -2.170  -1.202
 5464TIP3    H122701  -3.963  -2.126  -1.276
 5464TIP3    H222702  -3.981  -2.152  -1.129
 5465TIP3   OH222703  -3.168  -1.196  -1.864
 5465TIP3    H122704  -3.201  -1.219  -1.952
 5465TIP3    H222705  -3.215  -1.112  -1.845
 5466TIP3   OH222706  -3.624  -1.384  -1.190
 5466TIP3    H122707  -3.698  -1.324  -1.164
 5466TIP3    H222708  -3.564  -1.323  -1.237
 5467TIP3   OH222709  -2.828  -2.097  -1.580
 5467TIP3    H122710  -2.863  -2.171  -1.528
 5467TIP3    H222711  -2.764  -2.060  -1.516
 5468TIP3   OH222712  -3.957  -1.966  -1.411
 5468TIP3    H122713  -3.893  -1.908  -1.366
 5468TIP3    H222714  -3.900  -2.003  -1.482
 5469TIP3   OH222715  -3.826  -1.197  -1.113
 5469TIP3    H122716  -3.829  -1.108  -1.152
 5469TIP3    H222717  -3.916  -1.202  -1.077
 5470TIP3   OH222718  -4.186  -1.241  -2.022
 5470TIP3    H122719  -4.261  -1.219  -2.081
 5470TIP3    H222720  -4.188  -1.167  -1.959
 5471TIP3   OH222721  -2.850  -1.078  -1.355
 5471TIP3    H122722  -2.945  -1.058  -1.357
 5471TIP3    H222723  -2.811  -0.992  -1.379
 5472TIP3   OH222724  -2.820  -2.195  -1.199
 5472TIP3    H122725  -2.898  -2.158  -1.244
 5472TIP3    H222726  -2.749  -2.175  -1.262
 5473TIP3   OH222727  -3.506  -2.422  -1.496
 5473TIP3    H122728  -3.526  -2.517  -1.500
 5473TIP3    H222729  -3.588  -2.386  -1.457
 5474TIP3   OH222730  -3.018  -0.889  -1.692
 5474TIP3    H122731  -2.971  -0.968  -1.726
 5474TIP3    H222732  -2.951  -0.819  -1.706
 5475TIP3   OH222733  -2.872  -1.105  -1.837
 5475TIP3    H122734  -2.930  -1.148  -1.901
 5475TIP3    H222735  -2.880  -1.165  -1.761
 5476TIP3   OH222736  -3.283  -1.530  -2.017
 5476TIP3    H122737  -3.350  -1.469  -2.053
 5476TIP3    H222738  -3.218  -1.533  -2.090
 5477TIP3   OH222739  -3.261  -1.697  -2.313
 5477TIP3    H122740  -3.191  -1.687  -2.247
 5477TIP3    H222741  -3.228  -1.774  -2.361
 5478TIP3   OH222742  -2.559  -1.598  -1.195
 5478TIP3    H122743  -2.621  -1.525  -1.179
 5478TIP3    H222744  -2.504  -1.561  -1.267
 5479TIP3   OH222745  -2.922  -1.547  -1.879
 5479TIP3    H122746  -2.993  -1.500  -1.831
 5479TIP3    H222747  -2.957  -1.636  -1.880
 5480TIP3   OH222748  -2.956  -1.679  -1.026
 5480TIP3    H122749  -2.954  -1.604  -0.963
 5480TIP3    H222750  -3.024  -1.648  -1.089
 5481TIP3   OH222751  -3.782  -1.451  -1.730
 5481TIP3    H122752  -3.817  -1.491  -1.812
 5481TIP3    H222753  -3.718  -1.518  -1.700
 5482TIP3   OH222754  -3.650  -1.115  -1.454
 5482TIP3    H122755  -3.660  -1.146  -1.545
 5482TIP3    H222756  -3.568  -1.159  -1.426
 5483TIP3   OH222757  -3.725  -1.572  -1.380
 5483TIP3    H122758  -3.671  -1.567  -1.461
 5483TIP3    H222759  -3.687  -1.503  -1.324
 5484TIP3   OH222760  -3.129  -1.017  -1.324
 5484TIP3    H122761  -3.134  -0.950  -1.255
 5484TIP3    H222762  -3.152  -1.100  -1.278
 5485TIP3   OH222763  -3.639  -1.140  -0.896
 5485TIP3    H122764  -3.690  -1.067  -0.854
 5485TIP3    H222765  -3.700  -1.165  -0.968
 5486TIP3   OH222766  -3.044  -1.609  -2.147
 5486TIP3    H122767  -2.979  -1.589  -2.078
 5486TIP3    H222768  -2.997  -1.574  -2.226
 5487TIP3   OH222769  -3.955  -1.505  -0.982
 5487TIP3    H122770  -3.949  -1.447  -0.904
 5487TIP3    H222771  -4.052  -1.508  -0.994
 5488TIP3   OH222772  -3.302  -0.925  -1.804
 5488TIP3    H122773  -3.258  -0.891  -1.726
 5488TIP3    H222774  -3.353  -0.848  -1.836
 5489TIP3   OH222775  -3.833  -0.931  -0.816
 5489TIP3    H122776  -3.841  -0.917  -0.913
 5489TIP3    H222777  -3.926  -0.941  -0.789
 5490TIP3   OH222778  -2.704  -2.408  -2.205
 5490TIP3    H122779  -2.790  -2.395  -2.161
 5490TIP3    H222780  -2.673  -2.316  -2.213
 5491TIP3   OH222781  -3.891  -1.579  -1.979
 5491TIP3    H122782  -3.916  -1.502  -2.033
 5491TIP3    H222783  -3.971  -1.633  -1.985
 5492TIP3   OH222784  -2.567  -0.994  -2.364
 5492TIP3    H122785  -2.552  -0.902  -2.336
 5492TIP3    H222786  -2.482  -1.036  -2.339
 5493TIP3   OH222787  -4.264  -1.295  -1.124
 5493TIP3    H122788  -4.286  -1.327  -1.213
 5493TIP3    H222789  -4.308  -1.363  -1.069
 5494TIP3   OH222790  -4.284  -1.020  -1.424
 5494TIP3    H122791  -4.196  -1.057  -1.408
 5494TIP3    H222792  -4.298  -0.965  -1.347
 5495TIP3   OH222793  -3.367  -1.041  -0.956
 5495TIP3    H122794  -3.354  -0.957  -0.907
 5495TIP3    H222795  -3.459  -1.063  -0.934
 5496TIP3   OH222796  -3.344  -0.652  -1.955
 5496TIP3    H122797  -3.351  -0.645  -2.052
 5496TIP3    H222798  -3.342  -0.559  -1.927
 5497TIP3   OH222799  -3.957  -0.745  -1.783
 5497TIP3    H122800  -3.957  -0.791  -1.696
 5497TIP3    H222801  -4.044  -0.771  -1.818
 5498TIP3   OH222802  -3.017  -0.708  -2.237
 5498TIP3    H122803  -2.964  -0.776  -2.282
 5498TIP3    H222804  -3.025  -0.746  -2.147
 5499TIP3   OH222805  -3.079  -0.769  -1.959
 5499TIP3    H122806  -3.174  -0.752  -1.946
 5499TIP3    H222807  -3.065  -0.839  -1.893
 5500TIP3   OH222808  -2.770  -1.820  -0.798
 5500TIP3    H122809  -2.813  -1.784  -0.877
 5500TIP3    H222810  -2.762  -1.915  -0.822
 5501TIP3   OH222811  -4.074  -1.155  -0.973
 5501TIP3    H122812  -4.043  -1.219  -0.906
 5501TIP3    H222813  -4.148  -1.203  -1.017
 5502TIP3   OH222814  -3.749  -2.309  -1.402
 5502TIP3    H122815  -3.830  -2.318  -1.455
 5502TIP3    H222816  -3.774  -2.235  -1.344
 5503TIP3   OH222817  -3.311  -2.350  -1.038
 5503TIP3    H122818  -3.257  -2.403  -0.976
 5503TIP3    H222819  -3.400  -2.387  -1.025
 5504TIP3   OH222820  -3.000  -1.972  -0.992
 5504TIP3    H122821  -3.053  -1.988  -0.912
 5504TIP3    H222822  -3.000  -1.875  -1.000
 5505TIP3   OH222823  -2.908  -1.492  -2.361
 5505TIP3    H122824  -2.922  -1.505  -2.456
 5505TIP3    H222825  -2.816  -1.462  -2.359
 5506TIP3   OH222826  -3.310  -2.097  -2.329
 5506TIP3    H122827  -3.340  -2.104  -2.238
 5506TIP3    H222828  -3.357  -2.170  -2.372
 5507TIP3   OH222829  -3.759  -1.829  -1.262
 5507TIP3    H122830  -3.823  -1.819  -1.189
 5507TIP3    H222831  -3.755  -1.738  -1.299
 5508TIP3   OH222832  -3.768  -1.823  -1.774
 5508TIP3    H122833  -3.864  -1.825  -1.792
 5508TIP3    H222834  -3.733  -1.839  -1.864
 5509TIP3   OH222835  -3.169  -1.771  -1.915
 5509TIP3    H122836  -3.223  -1.694  -1.941
 5509TIP3    H222837  -3.119  -1.787  -1.997
 5510TIP3   OH222838  -3.288  -1.741  -0.757
 5510TIP3    H122839  -3.336  -1.820  -0.725
 5510TIP3    H222840  -3.198  -1.758  -0.721
 5511TIP3   OH222841  -3.065  -1.801  -1.633
 5511TIP3    H122842  -3.125  -1.747  -1.688
 5511TIP3    H222843  -3.081  -1.889  -1.672
 5512TIP3   OH222844  -4.022  -1.813  -1.079
 5512TIP3    H122845  -3.998  -1.777  -0.993
 5512TIP3    H222846  -4.053  -1.902  -1.054
 5513TIP3   OH222847  -3.685  -2.054  -2.419
 5513TIP3    H122848  -3.723  -2.091  -2.336
 5513TIP3    H222849  -3.764  -2.039  -2.473
 5514TIP3   OH222850  -4.324  -2.057  -1.708
 5514TIP3    H122851  -4.305  -2.083  -1.616
 5514TIP3    H222852  -4.277  -2.124  -1.758
 5515TIP3   OH222853  -4.213  -1.999  -2.126
 5515TIP3    H122854  -4.150  -1.976  -2.198
 5515TIP3    H222855  -4.296  -1.977  -2.168
 5516TIP3   OH222856  -3.207  -1.658  -1.169
 5516TIP3    H122857  -3.166  -1.729  -1.222
 5516TIP3    H222858  -3.246  -1.709  -1.096
 5517TIP3   OH222859  -3.488  -2.057  -1.668
 5517TIP3    H122860  -3.583  -2.066  -1.650
 5517TIP3    H222861  -3.449  -2.089  -1.584
 5518TIP3   OH222862  -4.040  -1.941  -1.803
 5518TIP3    H122863  -4.120  -1.928  -1.855
 5518TIP3    H222864  -4.002  -2.021  -1.845
 5519TIP3   OH222865  -3.673  -1.909  -2.036
 5519TIP3    H122866  -3.576  -1.899  -2.029
 5519TIP3    H222867  -3.697  -1.845  -2.106
 5520TIP3   OH222868  -3.054  -2.144  -1.369
 5520TIP3    H122869  -3.118  -2.147  -1.295
 5520TIP3    H222870  -3.108  -2.184  -1.440
 5521TIP3   OH222871  -3.823  -1.783  -2.259
 5521TIP3    H122872  -3.883  -1.812  -2.329
 5521TIP3    H222873  -3.743  -1.762  -2.309
 5522TIP3   OH222874  -2.726  -0.567  -0.731
 5522TIP3    H122875  -2.716  -0.509  -0.808
 5522TIP3    H222876  -2.656  -0.533  -0.674
 5523TIP3   OH222877  -3.947  -1.318  -0.752
 5523TIP3    H122878  -3.894  -1.278  -0.682
 5523TIP3    H222879  -4.037  -1.306  -0.716
 5524TIP3   OH222880  -3.368  -1.811  -1.492
 5524TIP3    H122881  -3.321  -1.877  -1.543
 5524TIP3    H222882  -3.398  -1.865  -1.415
 5525TIP3   OH222883  -3.872  -2.173  -1.864
 5525TIP3    H122884  -3.914  -2.260  -1.861
 5525TIP3    H222885  -3.791  -2.192  -1.914
 5526TIP3   OH222886  -3.487  -1.954  -1.274
 5526TIP3    H122887  -3.569  -1.903  -1.264
 5526TIP3    H222888  -3.440  -1.938  -1.190
 5527TIP3   OH222889  -3.472  -1.330  -2.073
 5527TIP3    H122890  -3.550  -1.377  -2.111
 5527TIP3    H222891  -3.496  -1.324  -1.978
 5528TIP3   OH222892  -2.760  -1.395  -1.189
 5528TIP3    H122893  -2.705  -1.335  -1.244
 5528TIP3    H222894  -2.835  -1.412  -1.249
 5529TIP3   OH222895  -3.304  -1.326  -0.947
 5529TIP3    H122896  -3.336  -1.359  -0.862
 5529TIP3    H222897  -3.331  -1.232  -0.945
 5530TIP3   OH222898  -3.969  -1.388  -1.498
 5530TIP3    H122899  -3.911  -1.399  -1.576
 5530TIP3    H222900  -3.962  -1.475  -1.455
 5531TIP3   OH222901  -3.237  -1.187  -2.180
 5531TIP3    H122902  -3.266  -1.100  -2.143
 5531TIP3    H222903  -3.312  -1.243  -2.154
 5532TIP3   OH222904  -4.238  -1.540  -0.937
 5532TIP3    H122905  -4.232  -1.606  -0.867
 5532TIP3    H222906  -4.286  -1.589  -1.007
 5533TIP3   OH222907  -3.540  -1.602  -0.767
 5533TIP3    H122908  -3.576  -1.632  -0.853
 5533TIP3    H222909  -3.450  -1.638  -0.774
 5534TIP3   OH222910  -2.523  -1.861  -2.111
 5534TIP3    H122911  -2.603  -1.900  -2.151
 5534TIP3    H222912  -2.533  -1.769  -2.139
 5535TIP3   OH222913  -2.524  -1.249  -0.860
 5535TIP3    H122914  -2.596  -1.207  -0.908
 5535TIP3    H222915  -2.449  -1.223  -0.916
 5536TIP3   OH222916  -2.724  -1.002  -2.116
 5536TIP3    H122917  -2.737  -1.074  -2.052
 5536TIP3    H222918  -2.656  -1.036  -2.175
 5537TIP3   OH222919  -2.972  -1.491  -1.377
 5537TIP3    H122920  -3.066  -1.501  -1.403
 5537TIP3    H222921  -2.935  -1.574  -1.409
 5538TIP3   OH222922  -3.728  -1.053  -1.761
 5538TIP3    H122923  -3.687  -0.967  -1.780
 5538TIP3    H222924  -3.818  -1.038  -1.793
 5539TIP3   OH222925  -4.159  -1.561  -2.292
 5539TIP3    H122926  -4.082  -1.510  -2.258
 5539TIP3    H222927  -4.228  -1.495  -2.279
 5540TIP3   OH222928  -3.543  -1.288  -1.802
 5540TIP3    H122929  -3.572  -1.196  -1.790
 5540TIP3    H222930  -3.618  -1.336  -1.764
 5541TIP3   OH222931  -3.524  -0.864  -1.165
 5541TIP3    H122932  -3.472  -0.789  -1.198
 5541TIP3    H222933  -3.460  -0.907  -1.108
 5542TIP3   OH222934  -3.681  -0.767  -1.843
 5542TIP3    H122935  -3.778  -0.755  -1.835
 5542TIP3    H222936  -3.649  -0.677  -1.824
 5543TIP3   OH222937  -3.163  -1.287  -1.201
 5543TIP3    H122938  -3.213  -1.322  -1.125
 5543TIP3    H222939  -3.104  -1.360  -1.224
 5544TIP3   OH222940  -2.963  -1.163  -2.319
 5544TIP3    H122941  -2.928  -1.205  -2.239
 5544TIP3    H222942  -3.058  -1.173  -2.301
 5545TIP3   OH222943  -2.909  -0.849  -0.961
 5545TIP3    H122944  -2.978  -0.864  -1.029
 5545TIP3    H222945  -2.872  -0.766  -0.994
 5546TIP3   OH222946  -2.495  -0.729  -2.269
 5546TIP3    H122947  -2.426  -0.662  -2.289
 5546TIP3    H222948  -2.571  -0.668  -2.261
 5547TIP3   OH222949  -4.102  -2.082  -0.998
 5547TIP3    H122950  -4.186  -2.049  -1.035
 5547TIP3    H222951  -4.123  -2.170  -0.963
 5548TIP3   OH222952  -2.870  -1.302  -2.080
 5548TIP3    H122953  -2.894  -1.372  -2.017
 5548TIP3    H222954  -2.774  -1.299  -2.070
 5549TIP3   OH222955  -4.130  -0.913  -1.159
 5549TIP3    H122956  -4.109  -1.007  -1.152
 5549TIP3    H222957  -4.093  -0.880  -1.077
 5550TIP3   OH222958  -3.519  -1.054  -2.439
 5550TIP3    H122959  -3.526  -1.118  -2.513
 5550TIP3    H222960  -3.586  -1.089  -2.378
 5551TIP3   OH222961  -3.660  -1.100  -2.186
 5551TIP3    H122962  -3.611  -1.151  -2.121
 5551TIP3    H222963  -3.645  -1.008  -2.158
 5552TIP3   OH222964  -3.984  -1.360  -2.153
 5552TIP3    H122965  -4.055  -1.317  -2.099
 5552TIP3    H222966  -3.940  -1.281  -2.188
 5553TIP3   OH222967  -3.213  -2.107  -1.149
 5553TIP3    H122968  -3.148  -2.080  -1.083
 5553TIP3    H222969  -3.258  -2.183  -1.106
 5554TIP3   OH222970  -3.164  -2.150  -2.046
 5554TIP3    H122971  -3.124  -2.097  -2.119
 5554TIP3    H222972  -3.102  -2.121  -1.978
 5555TIP3   OH222973  -3.364  -0.935  -2.129
 5555TIP3    H122974  -3.449  -0.890  -2.115
 5555TIP3    H222975  -3.329  -0.887  -2.205
 5556TIP3   OH222976  -3.407  -1.957  -1.929
 5556TIP3    H122977  -3.320  -1.913  -1.919
 5556TIP3    H222978  -3.432  -1.975  -1.836
 5557TIP3   OH222979  -3.368  -1.873  -1.014
 5557TIP3    H122980  -3.362  -1.823  -0.931
 5557TIP3    H222981  -3.314  -1.951  -0.992
 5558TIP3   OH222982  -3.343  -2.261  -1.839
 5558TIP3    H122983  -3.361  -2.194  -1.772
 5558TIP3    H222984  -3.273  -2.218  -1.891
 5559TIP3   OH222985  -3.639  -0.829  -2.132
 5559TIP3    H122986  -3.655  -0.749  -2.186
 5559TIP3    H222987  -3.665  -0.797  -2.043
 5560TIP3   OH222988  -3.774  -2.162  -2.176
 5560TIP3    H122989  -3.766  -2.081  -2.124
 5560TIP3    H222990  -3.691  -2.208  -2.151
 5561TIP3   OH222991  -2.741  -2.070  -0.926
 5561TIP3    H122992  -2.837  -2.063  -0.942
 5561TIP3    H222993  -2.714  -2.094  -1.016
 5562TIP3   OH222994  -3.934  -1.077  -2.274
 5562TIP3    H122995  -3.859  -1.033  -2.234
 5562TIP3    H222996  -3.889  -1.124  -2.347
 5563TIP3   OH222997  -4.119  -1.862  -2.352
 5563TIP3    H122998  -4.104  -1.767  -2.342
 5563TIP3    H222999  -4.191  -1.866  -2.416
 5564TIP3   OH223000  -2.751  -0.802  -1.362
 5564TIP3    H123001  -2.782  -0.728  -1.418
 5564TIP3    H223002  -2.662  -0.773  -1.339
 5565TIP3   OH223003  -4.025  -2.363  -1.489
 5565TIP3    H123004  -4.058  -2.363  -1.581
 5565TIP3    H223005  -4.070  -2.441  -1.451
 5566TIP3   OH223006  -4.141  -0.983  -1.886
 5566TIP3    H123007  -4.227  -0.939  -1.871
 5566TIP3    H223008  -4.100  -0.927  -1.952
 5567TIP3   OH223009  -4.213  -0.720  -0.737
 5567TIP3    H123010  -4.151  -0.721  -0.663
 5567TIP3    H223011  -4.219  -0.815  -0.753
 5568TIP3   OH223012  -3.736  -0.810  -0.566
 5568TIP3    H123013  -3.661  -0.866  -0.541
 5568TIP3    H223014  -3.749  -0.835  -0.659
 5569TIP3   OH223015  -3.310  -0.882  -2.418
 5569TIP3    H123016  -3.393  -0.936  -2.418
 5569TIP3    H223017  -3.249  -0.951  -2.446
 5570TIP3   OH223018  -2.866  -0.894  -2.410
 5570TIP3    H123019  -2.852  -0.971  -2.352
 5570TIP3    H223020  -2.779  -0.884  -2.451
 5571TIP3   OH223021  -4.197  -1.315  -0.678
 5571TIP3    H123022  -4.191  -1.405  -0.712
 5571TIP3    H223023  -4.285  -1.287  -0.709
 5572TIP3   OH223024  -3.784  -1.308  -2.414
 5572TIP3    H123025  -3.753  -1.375  -2.351
 5572TIP3    H223026  -3.710  -1.299  -2.475
 5573TIP3   OH223027  -3.545  -1.331  -0.691
 5573TIP3    H123028  -3.562  -1.291  -0.778
 5573TIP3    H223029  -3.528  -1.425  -0.713
 5574TIP3   OH223030  -3.237  -1.173  -2.474
 5574TIP3    H123031  -3.265  -1.172  -2.381
 5574TIP3    H223032  -3.257  -1.267  -2.494
 5575TIP3   OH223033  -2.972  -1.304  -0.932
 5575TIP3    H123034  -2.911  -1.296  -1.007
 5575TIP3    H223035  -3.056  -1.273  -0.968
 5576TIP3   OH223036  -4.132  -1.640  -0.698
 5576TIP3    H123037  -4.055  -1.699  -0.709
 5576TIP3    H223038  -4.128  -1.620  -0.604
 5577TIP3   OH223039  -3.669  -1.503  -2.191
 5577TIP3    H123040  -3.735  -1.550  -2.138
 5577TIP3    H223041  -3.643  -1.571  -2.256
 5578TIP3   OH223042  -3.750  -1.721  -0.966
 5578TIP3    H123043  -3.806  -1.642  -0.955
 5578TIP3    H223044  -3.686  -1.689  -1.033
 5579TIP3   OH223045  -3.576  -1.699  -2.371
 5579TIP3    H123046  -3.579  -1.687  -2.468
 5579TIP3    H223047  -3.480  -1.696  -2.355
 5580TIP3   OH223048  -3.219  -1.450  -0.612
 5580TIP3    H123049  -3.130  -1.467  -0.646
 5580TIP3    H223050  -3.243  -1.538  -0.580
 5581TIP3   OH223051  -2.636  -1.446  -2.435
 5581TIP3    H123052  -2.637  -1.492  -2.521
 5581TIP3    H223053  -2.631  -1.353  -2.462
 5582TIP3   OH223054  -3.693  -1.994  -0.855
 5582TIP3    H123055  -3.683  -2.060  -0.927
 5582TIP3    H223056  -3.710  -1.913  -0.906
 5583TIP3   OH223057  -3.657  -2.144  -1.111
 5583TIP3    H123058  -3.605  -2.095  -1.178
 5583TIP3    H223059  -3.747  -2.143  -1.148
 5584TIP3   OH223060  -3.501  -1.601  -1.069
 5584TIP3    H123061  -3.418  -1.610  -1.119
 5584TIP3    H223062  -3.533  -1.515  -1.102
 5585TIP3   OH223063  -3.042  -1.807  -0.592
 5585TIP3    H123064  -3.022  -1.901  -0.580
 5585TIP3    H223065  -2.951  -1.771  -0.593
 5586TIP3   OH223066  -2.955  -1.524  -0.758
 5586TIP3    H123067  -2.968  -1.446  -0.816
 5586TIP3    H223068  -2.861  -1.545  -0.777
 5587TIP3   OH223069  -3.876  -1.804  -0.677
 5587TIP3    H123070  -3.929  -1.886  -0.678
 5587TIP3    H223071  -3.797  -1.832  -0.725
 5588TIP3   OH223072  -3.587  -2.413  -1.075
 5588TIP3    H123073  -3.602  -2.318  -1.092
 5588TIP3    H223074  -3.656  -2.455  -1.130
 5589TIP3   OH223075  -3.460  -1.952  -0.695
 5589TIP3    H123076  -3.490  -1.982  -0.608
 5589TIP3    H223077  -3.539  -1.974  -0.749
 5590TIP3   OH223078  -3.204  -2.050  -0.809
 5590TIP3    H123079  -3.292  -2.051  -0.767
 5590TIP3    H223080  -3.155  -2.114  -0.753
 5591TIP3   OH223081  -3.029  -2.202  -0.641
 5591TIP3    H123082  -3.034  -2.298  -0.624
 5591TIP3    H223083  -3.037  -2.163  -0.552
 5592TIP3   OH223084  -4.012  -2.059  -0.694
 5592TIP3    H123085  -4.015  -2.131  -0.759
 5592TIP3    H223086  -4.032  -2.106  -0.611
 5593TIP3   OH223087  -3.600  -2.465  -0.794
 5593TIP3    H123088  -3.541  -2.542  -0.789
 5593TIP3    H223089  -3.602  -2.450  -0.891
 5594TIP3   OH223090  -3.506  -2.277  -0.610
 5594TIP3    H123091  -3.533  -2.338  -0.682
 5594TIP3    H223092  -3.579  -2.214  -0.608
 5595TIP3   OH223093  -3.599  -0.568  -2.257
 5595TIP3    H123094  -3.503  -0.563  -2.250
 5595TIP3    H223095  -3.612  -0.538  -2.348
 5596TIP3   OH223096  -4.208  -1.087  -2.351
 5596TIP3    H123097  -4.121  -1.082  -2.308
 5596TIP3    H223098  -4.204  -1.173  -2.396
 5597TIP3   OH223099  -4.274  -0.810  -1.641
 5597TIP3    H123100  -4.279  -0.898  -1.599
 5597TIP3    H223101  -4.243  -0.756  -1.567
 5598TIP3   OH223102  -2.723  -1.156  -0.601
 5598TIP3    H123103  -2.774  -1.185  -0.523
 5598TIP3    H223104  -2.644  -1.115  -0.562
 5599TIP3   OH223105  -2.583  -1.318  -2.039
 5599TIP3    H123106  -2.495  -1.282  -2.018
 5599TIP3    H223107  -2.598  -1.378  -1.963
 5600TIP3   OH223108  -2.569  -1.540  -1.821
 5600TIP3    H123109  -2.588  -1.618  -1.768
 5600TIP3    H223110  -2.488  -1.508  -1.777
 5601TIP3   OH223111  -2.567  -1.263  -1.349
 5601TIP3    H123112  -2.499  -1.314  -1.395
 5601TIP3    H223113  -2.547  -1.172  -1.377
 5602TIP3   OH223114  -2.711  -1.028  -1.081
 5602TIP3    H123115  -2.741  -0.937  -1.071
 5602TIP3    H223116  -2.726  -1.044  -1.175
 5603TIP3   OH223117  -2.507  -1.561  -2.185
 5603TIP3    H123118  -2.567  -1.552  -2.261
 5603TIP3    H223119  -2.530  -1.481  -2.134
 5604TIP3   OH223120  -2.670  -1.797  -2.377
 5604TIP3    H123121  -2.650  -1.755  -2.461
 5604TIP3    H223122  -2.707  -1.883  -2.403
 5605TIP3   OH223123  -4.256  -1.448  -1.368
 5605TIP3    H123124  -4.226  -1.429  -1.459
 5605TIP3    H223125  -4.175  -1.491  -1.331
 5606TIP3   OH223126  -2.675  -1.487  -0.840
 5606TIP3    H123127  -2.612  -1.562  -0.837
 5606TIP3    H223128  -2.614  -1.412  -0.856
 5607TIP3   OH223129  -2.531  -1.704  -0.739
 5607TIP3    H123130  -2.607  -1.763  -0.757
 5607TIP3    H223131  -2.456  -1.766  -0.733
 5608TIP3   OH223132  -2.731  -2.099  -2.476
 5608TIP3    H123133  -2.685  -2.119  -2.393
 5608TIP3    H223134  -2.824  -2.118  -2.454
 5609TIP3   OH223135  -2.740  -1.852  -1.443
 5609TIP3    H123136  -2.644  -1.857  -1.421
 5609TIP3    H223137  -2.776  -1.864  -1.354
 5610TIP3   OH223138  -2.717  -1.824  -1.122
 5610TIP3    H123139  -2.803  -1.784  -1.098
 5610TIP3    H223140  -2.664  -1.746  -1.148
 5611TIP3   OH223141  -4.284  -1.954  -0.752
 5611TIP3    H123142  -4.196  -1.994  -0.762
 5611TIP3    H223143  -4.343  -2.029  -0.742
 5612TIP3   OH223144  -2.460  -2.406  -0.590
 5612TIP3    H123145  -2.421  -2.471  -0.651
 5612TIP3    H223146  -2.461  -2.326  -0.646
 5613TIP3   OH223147  -2.697  -2.207  -1.928
 5613TIP3    H123148  -2.709  -2.253  -1.843
 5613TIP3    H223149  -2.781  -2.223  -1.974
 5614TIP3   OH223150  -4.195  -2.102  -1.439
 5614TIP3    H123151  -4.159  -2.191  -1.446
 5614TIP3    H223152  -4.115  -2.047  -1.426
 5615TIP3   OH223153  -4.332  -1.837  -1.358
 5615TIP3    H123154  -4.295  -1.889  -1.431
 5615TIP3    H223155  -4.317  -1.747  -1.389
 5616TIP3   OH223156  -2.523  -2.197  -0.765
 5616TIP3    H123157  -2.611  -2.155  -0.760
 5616TIP3    H223158  -2.534  -2.250  -0.847
 5617TIP3   OH223159  -2.517  -2.177  -2.289
 5617TIP3    H123160  -2.485  -2.261  -2.327
 5617TIP3    H223161  -2.434  -2.129  -2.273
 5618TIP3   OH223162  -4.314  -2.227  -2.009
 5618TIP3    H123163  -4.399  -2.198  -2.046
 5618TIP3    H223164  -4.256  -2.154  -2.040
 5619TIP3   OH223165  -2.828  -0.692  -1.751
 5619TIP3    H123166  -2.784  -0.711  -1.835
 5619TIP3    H223167  -2.765  -0.632  -1.709
 5620TIP3   OH223168  -4.291  -2.330  -1.171
 5620TIP3    H123169  -4.360  -2.339  -1.101
 5620TIP3    H223170  -4.335  -2.282  -1.243
 5621TIP3   OH223171  -4.116  -0.984  -0.692
 5621TIP3    H123172  -4.168  -1.039  -0.752
 5621TIP3    H223173  -4.145  -1.015  -0.604
 5622TIP3   OH223174  -3.802  -0.908  -1.109
 5622TIP3    H123175  -3.833  -0.826  -1.151
 5622TIP3    H223176  -3.706  -0.902  -1.129
 5623TIP3   OH223177  -3.351  -0.784  -0.816
 5623TIP3    H123178  -3.336  -0.799  -0.720
 5623TIP3    H223179  -3.272  -0.731  -0.840
 5624TIP3   OH223180  -3.127  -0.637  -0.886
 5624TIP3    H123181  -3.054  -0.694  -0.915
 5624TIP3    H223182  -3.091  -0.600  -0.803
 5625TIP3   OH223183  -2.642  -2.377  -0.967
 5625TIP3    H123184  -2.721  -2.361  -1.021
 5625TIP3    H223185  -2.616  -2.466  -1.000
 5626TIP3   OH223186  -4.069  -0.607  -1.087
 5626TIP3    H123187  -4.137  -0.558  -1.138
 5626TIP3    H223188  -4.102  -0.596  -0.997
 5627TIP3   OH223189  -3.817  -0.639  -1.223
 5627TIP3    H123190  -3.904  -0.620  -1.183
 5627TIP3    H223191  -3.815  -0.575  -1.296
 5628TIP3   OH223192  -3.338  -0.642  -1.269
 5628TIP3    H123193  -3.378  -0.599  -1.347
 5628TIP3    H223194  -3.332  -0.566  -1.207
 5629TIP3   OH223195  -3.099  -0.765  -1.176
 5629TIP3    H123196  -3.183  -0.729  -1.210
 5629TIP3    H223197  -3.042  -0.686  -1.177
 5630TIP3   OH223198  -2.857  -0.598  -1.142
 5630TIP3    H123199  -2.838  -0.502  -1.146
 5630TIP3    H223200  -2.814  -0.629  -1.223
 5631TIP3   OH223201  -4.126  -0.731  -1.389
 5631TIP3    H123202  -4.133  -0.778  -1.303
 5631TIP3    H223203  -4.051  -0.779  -1.430
 5632TIP3   OH223204  -3.913  -0.859  -1.527
 5632TIP3    H123205  -3.925  -0.954  -1.506
 5632TIP3    H223206  -3.819  -0.844  -1.505
 5633TIP3   OH223207  -3.627  -0.814  -1.454
 5633TIP3    H123208  -3.611  -0.907  -1.478
 5633TIP3    H223209  -3.626  -0.820  -1.357
 5634TIP3   OH223210  -3.299  -2.226  -1.527
 5634TIP3    H123211  -3.366  -2.295  -1.510
 5634TIP3    H223212  -3.236  -2.273  -1.583
 5635TIP3   OH223213  -2.804  -2.414  -1.473
 5635TIP3    H123214  -2.723  -2.383  -1.517
 5635TIP3    H223215  -2.873  -2.397  -1.538
 5636TIP3   OH223216  -2.591  -2.315  -1.679
 5636TIP3    H123217  -2.525  -2.358  -1.737
 5636TIP3    H223218  -2.560  -2.223  -1.680
 5637TIP3   OH223219  -4.108  -2.369  -1.768
 5637TIP3    H123220  -4.180  -2.397  -1.826
 5637TIP3    H223221  -4.045  -2.443  -1.781
 5638TIP3   OH223222  -4.182  -2.409  -2.189
 5638TIP3    H123223  -4.130  -2.342  -2.238
 5638TIP3    H223224  -4.233  -2.352  -2.128
 5639TIP3   OH223225  -3.615  -2.373  -1.778
 5639TIP3    H123226  -3.525  -2.343  -1.797
 5639TIP3    H223227  -3.613  -2.383  -1.682
 5640TIP3   OH223228  -3.058  -2.365  -1.643
 5640TIP3    H123229  -3.027  -2.385  -1.732
 5640TIP3    H223230  -3.091  -2.453  -1.615
 5641TIP3   OH223231  -2.948  -2.362  -2.028
 5641TIP3    H123232  -3.023  -2.313  -2.065
 5641TIP3    H223233  -2.982  -2.453  -2.026
 5642TIP3   OH223234  -4.006  -2.220  -2.334
 5642TIP3    H123235  -3.947  -2.278  -2.386
 5642TIP3    H223236  -3.944  -2.190  -2.265
 5643TIP3   OH223237  -3.507  -2.207  -2.074
 5643TIP3    H123238  -3.463  -2.263  -2.008
 5643TIP3    H223239  -3.477  -2.119  -2.046
 5644TIP3   OH223240  -3.294  -0.628  -2.253
 5644TIP3    H123241  -3.197  -0.627  -2.255
 5644TIP3    H223242  -3.312  -0.694  -2.322
 5645TIP3   OH223243  -2.642  -0.720  -1.990
 5645TIP3    H123244  -2.665  -0.803  -2.037
 5645TIP3    H223245  -2.646  -0.655  -2.063
 5646TIP3   OH223246  -4.079  -2.330  -0.817
 5646TIP3    H123247  -4.124  -2.406  -0.777
 5646TIP3    H223248  -3.987  -2.345  -0.788
 5647TIP3   OH223249  -3.843  -2.392  -0.641
 5647TIP3    H123250  -3.761  -2.428  -0.682
 5647TIP3    H223251  -3.877  -2.471  -0.596
 5648TIP3   OH223252  -4.011  -0.708  -2.402
 5648TIP3    H123253  -4.045  -0.692  -2.311
 5648TIP3    H223254  -3.946  -0.777  -2.384
 5649TIP3   OH223255  -3.030  -2.482  -0.623
 5649TIP3    H123256  -3.026  -2.525  -0.536
 5649TIP3    H223257  -2.937  -2.487  -0.651
 5650TIP3   OH223258  -2.680  -0.861  -0.756
 5650TIP3    H123259  -2.715  -0.858  -0.845
 5650TIP3    H223260  -2.657  -0.768  -0.742
 5651TIP3   OH223261  -1.257  -1.477  -1.755
 5651TIP3    H123262  -1.275  -1.388  -1.722
 5651TIP3    H223263  -1.346  -1.503  -1.784
 5652TIP3   OH223264  -2.138  -1.588  -1.269
 5652TIP3    H123265  -2.140  -1.659  -1.203
 5652TIP3    H223266  -2.070  -1.530  -1.232
 5653TIP3   OH223267  -2.049  -1.118  -1.411
 5653TIP3    H123268  -2.083  -1.207  -1.431
 5653TIP3    H223269  -1.962  -1.140  -1.375
 5654TIP3   OH223270  -2.389  -1.780  -1.873
 5654TIP3    H123271  -2.412  -1.688  -1.885
 5654TIP3    H223272  -2.445  -1.825  -1.939
 5655TIP3   OH223273  -2.311  -1.530  -1.707
 5655TIP3    H123274  -2.293  -1.607  -1.650
 5655TIP3    H223275  -2.223  -1.508  -1.738
 5656TIP3   OH223276  -1.190  -1.849  -1.327
 5656TIP3    H123277  -1.196  -1.946  -1.326
 5656TIP3    H223278  -1.210  -1.826  -1.419
 5657TIP3   OH223279  -1.911  -2.052  -1.619
 5657TIP3    H123280  -1.900  -1.966  -1.664
 5657TIP3    H223281  -1.948  -2.104  -1.692
 5658TIP3   OH223282  -1.101  -2.066  -1.795
 5658TIP3    H123283  -1.065  -2.059  -1.705
 5658TIP3    H223284  -1.079  -1.980  -1.832
 5659TIP3   OH223285  -2.246  -1.779  -1.566
 5659TIP3    H123286  -2.181  -1.824  -1.509
 5659TIP3    H223287  -2.234  -1.828  -1.650
 5660TIP3   OH223288  -1.712  -1.641  -1.610
 5660TIP3    H123289  -1.636  -1.690  -1.571
 5660TIP3    H223290  -1.758  -1.712  -1.659
 5661TIP3   OH223291  -2.047  -2.164  -1.181
 5661TIP3    H123292  -2.082  -2.114  -1.256
 5661TIP3    H223293  -2.115  -2.150  -1.115
 5662TIP3   OH223294  -1.275  -1.187  -1.863
 5662TIP3    H123295  -1.318  -1.221  -1.942
 5662TIP3    H223296  -1.331  -1.110  -1.842
 5663TIP3   OH223297  -0.929  -2.129  -1.567
 5663TIP3    H123298  -0.986  -2.153  -1.492
 5663TIP3    H223299  -0.882  -2.054  -1.527
 5664TIP3   OH223300  -2.073  -1.968  -1.407
 5664TIP3    H123301  -2.009  -1.910  -1.360
 5664TIP3    H223302  -2.014  -2.006  -1.476
 5665TIP3   OH223303  -2.313  -1.221  -2.025
 5665TIP3    H123304  -2.329  -1.173  -2.108
 5665TIP3    H223305  -2.290  -1.149  -1.962
 5666TIP3   OH223306  -1.622  -2.419  -1.495
 5666TIP3    H123307  -1.643  -2.514  -1.496
 5666TIP3    H223308  -1.703  -2.382  -1.454
 5667TIP3   OH223309  -1.161  -0.881  -1.710
 5667TIP3    H123310  -1.094  -0.951  -1.713
 5667TIP3    H223311  -1.106  -0.805  -1.685
 5668TIP3   OH223312  -0.978  -1.111  -1.824
 5668TIP3    H123313  -1.042  -1.140  -1.892
 5668TIP3    H223314  -1.014  -1.150  -1.745
 5669TIP3   OH223315  -1.412  -1.535  -2.016
 5669TIP3    H123316  -1.477  -1.470  -2.048
 5669TIP3    H223317  -1.341  -1.525  -2.082
 5670TIP3   OH223318  -1.380  -1.711  -2.309
 5670TIP3    H123319  -1.311  -1.679  -2.249
 5670TIP3    H223320  -1.328  -1.767  -2.369
 5671TIP3   OH223321  -1.044  -1.549  -1.909
 5671TIP3    H123322  -1.119  -1.514  -1.854
 5671TIP3    H223323  -1.014  -1.621  -1.853
 5672TIP3   OH223324  -1.900  -1.454  -1.731
 5672TIP3    H123325  -1.928  -1.500  -1.812
 5672TIP3    H223326  -1.835  -1.516  -1.693
 5673TIP3   OH223327  -1.834  -1.535  -1.370
 5673TIP3    H123328  -1.778  -1.554  -1.446
 5673TIP3    H223329  -1.770  -1.505  -1.304
 5674TIP3   OH223330  -1.159  -1.590  -2.160
 5674TIP3    H123331  -1.110  -1.563  -2.080
 5674TIP3    H223332  -1.112  -1.537  -2.229
 5675TIP3   OH223333  -2.057  -1.498  -0.989
 5675TIP3    H123334  -2.053  -1.444  -0.907
 5675TIP3    H223335  -2.153  -1.507  -0.997
 5676TIP3   OH223336  -1.433  -0.926  -1.792
 5676TIP3    H123337  -1.356  -0.897  -1.740
 5676TIP3    H223338  -1.469  -0.842  -1.826
 5677TIP3   OH223339  -0.831  -2.405  -2.186
 5677TIP3    H123340  -0.925  -2.388  -2.170
 5677TIP3    H223341  -0.794  -2.318  -2.207
 5678TIP3   OH223342  -2.005  -1.579  -1.978
 5678TIP3    H123343  -2.027  -1.502  -2.033
 5678TIP3    H223344  -2.071  -1.643  -2.005
 5679TIP3   OH223345  -0.677  -0.997  -2.350
 5679TIP3    H123346  -0.663  -0.903  -2.329
 5679TIP3    H223347  -0.588  -1.034  -2.335
 5680TIP3   OH223348  -2.375  -1.295  -1.112
 5680TIP3    H123349  -2.436  -1.306  -1.186
 5680TIP3    H223350  -2.366  -1.384  -1.075
 5681TIP3   OH223351  -2.393  -1.016  -1.405
 5681TIP3    H123352  -2.301  -1.047  -1.396
 5681TIP3    H223353  -2.398  -0.952  -1.333
 5682TIP3   OH223354  -1.460  -0.622  -1.947
 5682TIP3    H123355  -1.463  -0.635  -2.043
 5682TIP3    H223356  -1.439  -0.529  -1.940
 5683TIP3   OH223357  -2.075  -0.731  -1.796
 5683TIP3    H123358  -2.074  -0.758  -1.703
 5683TIP3    H223359  -2.168  -0.741  -1.820
 5684TIP3   OH223360  -1.138  -0.711  -2.243
 5684TIP3    H123361  -1.076  -0.775  -2.282
 5684TIP3    H223362  -1.141  -0.742  -2.149
 5685TIP3   OH223363  -1.196  -0.769  -1.966
 5685TIP3    H123364  -1.285  -0.742  -1.940
 5685TIP3    H223365  -1.171  -0.826  -1.890
 5686TIP3   OH223366  -1.865  -2.299  -1.396
 5686TIP3    H123367  -1.948  -2.309  -1.446
 5686TIP3    H223368  -1.890  -2.228  -1.335
 5687TIP3   OH223369  -1.416  -2.366  -1.042
 5687TIP3    H123370  -1.366  -2.408  -0.969
 5687TIP3    H223371  -1.509  -2.383  -1.015
 5688TIP3   OH223372  -1.007  -1.480  -2.359
 5688TIP3    H123373  -1.029  -1.494  -2.453
 5688TIP3    H223374  -0.914  -1.452  -2.366
 5689TIP3   OH223375  -1.443  -2.101  -2.308
 5689TIP3    H123376  -1.497  -2.115  -2.229
 5689TIP3    H223377  -1.483  -2.166  -2.368
 5690TIP3   OH223378  -1.879  -1.826  -1.262
 5690TIP3    H123379  -1.929  -1.822  -1.178
 5690TIP3    H223380  -1.872  -1.731  -1.286
 5691TIP3   OH223381  -1.881  -1.822  -1.774
 5691TIP3    H123382  -1.977  -1.831  -1.789
 5691TIP3    H223383  -1.847  -1.842  -1.864
 5692TIP3   OH223384  -1.322  -1.768  -1.896
 5692TIP3    H123385  -1.366  -1.686  -1.927
 5692TIP3    H223386  -1.253  -1.779  -1.963
 5693TIP3   OH223387  -1.220  -1.806  -1.612
 5693TIP3    H123388  -1.249  -1.742  -1.679
 5693TIP3    H223389  -1.217  -1.887  -1.663
 5694TIP3   OH223390  -2.143  -1.831  -1.076
 5694TIP3    H123391  -2.115  -1.797  -0.990
 5694TIP3    H223392  -2.204  -1.902  -1.051
 5695TIP3   OH223393  -1.800  -2.053  -2.422
 5695TIP3    H123394  -1.836  -2.088  -2.338
 5695TIP3    H223395  -1.881  -2.042  -2.475
 5696TIP3   OH223396  -2.459  -2.061  -1.710
 5696TIP3    H123397  -2.395  -2.070  -1.637
 5696TIP3    H223398  -2.414  -2.101  -1.785
 5697TIP3   OH223399  -2.299  -2.022  -2.142
 5697TIP3    H123400  -2.246  -1.972  -2.208
 5697TIP3    H223401  -2.373  -1.960  -2.126
 5698TIP3   OH223402  -1.346  -1.669  -1.140
 5698TIP3    H123403  -1.274  -1.695  -1.200
 5698TIP3    H223404  -1.351  -1.745  -1.080
 5699TIP3   OH223405  -1.602  -2.065  -1.668
 5699TIP3    H123406  -1.698  -2.064  -1.649
 5699TIP3    H223407  -1.566  -2.078  -1.579
 5700TIP3   OH223408  -2.146  -1.937  -1.806
 5700TIP3    H123409  -2.232  -1.917  -1.847
 5700TIP3    H223410  -2.119  -2.019  -1.852
 5701TIP3   OH223411  -1.782  -1.908  -2.037
 5701TIP3    H123412  -1.686  -1.892  -2.034
 5701TIP3    H223413  -1.813  -1.848  -2.108
 5702TIP3   OH223414  -1.161  -2.167  -1.366
 5702TIP3    H123415  -1.206  -2.150  -1.280
 5702TIP3    H223416  -1.239  -2.189  -1.421
 5703TIP3   OH223417  -1.939  -1.782  -2.257
 5703TIP3    H123418  -2.000  -1.812  -2.327
 5703TIP3    H223419  -1.859  -1.763  -2.308
 5704TIP3   OH223420  -2.066  -1.347  -0.750
 5704TIP3    H123421  -2.003  -1.329  -0.677
 5704TIP3    H223422  -2.147  -1.313  -0.710
 5705TIP3   OH223423  -1.506  -1.804  -1.491
 5705TIP3    H123424  -1.429  -1.846  -1.531
 5705TIP3    H223425  -1.509  -1.847  -1.403
 5706TIP3   OH223426  -1.974  -2.167  -1.874
 5706TIP3    H123427  -2.033  -2.244  -1.857
 5706TIP3    H223428  -1.894  -2.210  -1.907
 5707TIP3   OH223429  -1.592  -1.952  -1.256
 5707TIP3    H123430  -1.673  -1.898  -1.251
 5707TIP3    H223431  -1.545  -1.931  -1.175
 5708TIP3   OH223432  -1.590  -1.326  -2.076
 5708TIP3    H123433  -1.667  -1.375  -2.111
 5708TIP3    H223434  -1.613  -1.316  -1.980
 5709TIP3   OH223435  -1.176  -2.036  -2.297
 5709TIP3    H123436  -1.274  -2.041  -2.299
 5709TIP3    H223437  -1.158  -1.967  -2.231
 5710TIP3   OH223438  -1.096  -1.859  -2.082
 5710TIP3    H123439  -1.004  -1.867  -2.051
 5710TIP3    H223440  -1.096  -1.772  -2.127
 5711TIP3   OH223441  -2.088  -1.394  -1.499
 5711TIP3    H123442  -2.022  -1.397  -1.570
 5711TIP3    H223443  -2.066  -1.473  -1.448
 5712TIP3   OH223444  -1.353  -1.187  -2.184
 5712TIP3    H123445  -1.375  -1.102  -2.142
 5712TIP3    H223446  -1.428  -1.242  -2.154
 5713TIP3   OH223447  -2.353  -1.560  -0.965
 5713TIP3    H123448  -2.334  -1.601  -0.878
 5713TIP3    H223449  -2.415  -1.623  -1.005
 5714TIP3   OH223450  -0.650  -1.858  -2.102
 5714TIP3    H123451  -0.698  -1.867  -2.186
 5714TIP3    H223452  -0.626  -1.764  -2.107
 5715TIP3   OH223453  -0.824  -0.979  -2.089
 5715TIP3    H123454  -0.851  -1.059  -2.040
 5715TIP3    H223455  -0.778  -1.015  -2.166
 5716TIP3   OH223456  -1.836  -1.055  -1.762
 5716TIP3    H123457  -1.795  -0.968  -1.767
 5716TIP3    H223458  -1.929  -1.034  -1.776
 5717TIP3   OH223459  -2.245  -1.569  -2.313
 5717TIP3    H123460  -2.187  -1.505  -2.269
 5717TIP3    H223461  -2.331  -1.550  -2.270
 5718TIP3   OH223462  -1.659  -1.285  -1.812
 5718TIP3    H123463  -1.686  -1.195  -1.786
 5718TIP3    H223464  -1.724  -1.336  -1.761
 5719TIP3   OH223465  -1.806  -0.749  -1.849
 5719TIP3    H123466  -1.903  -0.739  -1.835
 5719TIP3    H223467  -1.771  -0.673  -1.801
 5720TIP3   OH223468  -1.080  -1.158  -2.318
 5720TIP3    H123469  -1.040  -1.203  -2.241
 5720TIP3    H223470  -1.174  -1.170  -2.295
 5721TIP3   OH223471  -0.604  -0.728  -2.266
 5721TIP3    H123472  -0.549  -0.660  -2.307
 5721TIP3    H223473  -0.684  -0.676  -2.250
 5722TIP3   OH223474  -0.978  -1.291  -2.078
 5722TIP3    H123475  -1.010  -1.365  -2.024
 5722TIP3    H223476  -0.882  -1.295  -2.061
 5723TIP3   OH223477  -1.659  -1.051  -2.464
 5723TIP3    H123478  -1.630  -1.131  -2.511
 5723TIP3    H223479  -1.701  -1.090  -2.385
 5724TIP3   OH223480  -1.773  -1.098  -2.193
 5724TIP3    H123481  -1.726  -1.151  -2.127
 5724TIP3    H223482  -1.760  -1.007  -2.158
 5725TIP3   OH223483  -2.095  -1.354  -2.154
 5725TIP3    H123484  -2.164  -1.315  -2.097
 5725TIP3    H223485  -2.045  -1.275  -2.179
 5726TIP3   OH223486  -1.304  -2.086  -1.126
 5726TIP3    H123487  -1.260  -2.068  -1.042
 5726TIP3    H223488  -1.372  -2.151  -1.098
 5727TIP3   OH223489  -1.240  -2.183  -2.019
 5727TIP3    H123490  -1.241  -2.133  -2.102
 5727TIP3    H223491  -1.204  -2.119  -1.955
 5728TIP3   OH223492  -1.480  -0.931  -2.124
 5728TIP3    H123493  -1.565  -0.886  -2.112
 5728TIP3    H223494  -1.444  -0.886  -2.201
 5729TIP3   OH223495  -1.508  -1.975  -1.926
 5729TIP3    H123496  -1.442  -1.903  -1.914
 5729TIP3    H223497  -1.547  -1.982  -1.837
 5730TIP3   OH223498  -1.447  -2.264  -1.823
 5730TIP3    H123499  -1.481  -2.189  -1.771
 5730TIP3    H223500  -1.387  -2.220  -1.886
 5731TIP3   OH223501  -1.757  -0.827  -2.125
 5731TIP3    H123502  -1.768  -0.746  -2.178
 5731TIP3    H223503  -1.779  -0.795  -2.035
 5732TIP3   OH223504  -1.887  -2.161  -2.185
 5732TIP3    H123505  -1.888  -2.089  -2.120
 5732TIP3    H223506  -1.808  -2.212  -2.157
 5733TIP3   OH223507  -2.049  -1.074  -2.277
 5733TIP3    H123508  -1.977  -1.024  -2.235
 5733TIP3    H223509  -1.997  -1.125  -2.342
 5734TIP3   OH223510  -2.232  -1.855  -2.366
 5734TIP3    H123511  -2.223  -1.760  -2.343
 5734TIP3    H223512  -2.322  -1.859  -2.401
 5735TIP3   OH223513  -2.139  -2.352  -1.485
 5735TIP3    H123514  -2.160  -2.357  -1.580
 5735TIP3    H223515  -2.172  -2.438  -1.451
 5736TIP3   OH223516  -2.247  -1.001  -1.862
 5736TIP3    H123517  -2.317  -0.946  -1.826
 5736TIP3    H223518  -2.203  -0.940  -1.923
 5737TIP3   OH223519  -1.438  -0.881  -2.412
 5737TIP3    H123520  -1.513  -0.942  -2.422
 5737TIP3    H223521  -1.366  -0.935  -2.449
 5738TIP3   OH223522  -0.974  -0.893  -2.404
 5738TIP3    H123523  -0.959  -0.975  -2.354
 5738TIP3    H223524  -0.893  -0.886  -2.458
 5739TIP3   OH223525  -2.345  -1.317  -0.613
 5739TIP3    H123526  -2.322  -1.406  -0.643
 5739TIP3    H223527  -2.397  -1.281  -0.685
 5740TIP3   OH223528  -1.895  -1.308  -2.430
 5740TIP3    H123529  -1.879  -1.367  -2.354
 5740TIP3    H223530  -1.808  -1.311  -2.474
 5741TIP3   OH223531  -1.370  -1.174  -2.468
 5741TIP3    H123532  -1.375  -1.178  -2.371
 5741TIP3    H223533  -1.376  -1.270  -2.489
 5742TIP3   OH223534  -2.233  -1.651  -0.710
 5742TIP3    H123535  -2.187  -1.735  -0.697
 5742TIP3    H223536  -2.231  -1.617  -0.618
 5743TIP3   OH223537  -1.787  -1.498  -2.197
 5743TIP3    H123538  -1.847  -1.549  -2.139
 5743TIP3    H223539  -1.757  -1.568  -2.259
 5744TIP3   OH223540  -1.865  -1.707  -0.970
 5744TIP3    H123541  -1.916  -1.626  -0.956
 5744TIP3    H223542  -1.789  -1.675  -1.021
 5745TIP3   OH223543  -1.690  -1.698  -2.369
 5745TIP3    H123544  -1.695  -1.691  -2.466
 5745TIP3    H223545  -1.594  -1.701  -2.355
 5746TIP3   OH223546  -0.739  -1.445  -2.439
 5746TIP3    H123547  -0.749  -1.488  -2.525
 5746TIP3    H223548  -0.751  -1.350  -2.464
 5747TIP3   OH223549  -1.772  -2.146  -1.086
 5747TIP3    H123550  -1.727  -2.085  -1.146
 5747TIP3    H223551  -1.866  -2.136  -1.110
 5748TIP3   OH223552  -1.617  -1.573  -1.134
 5748TIP3    H123553  -1.524  -1.601  -1.141
 5748TIP3    H223554  -1.606  -1.485  -1.098
 5749TIP3   OH223555  -1.695  -2.407  -1.040
 5749TIP3    H123556  -1.722  -2.313  -1.048
 5749TIP3    H223557  -1.764  -2.452  -1.092
 5750TIP3   OH223558  -1.712  -0.564  -2.256
 5750TIP3    H123559  -1.616  -0.562  -2.249
 5750TIP3    H223560  -1.726  -0.526  -2.344
 5751TIP3   OH223561  -2.325  -1.137  -2.308
 5751TIP3    H123562  -2.230  -1.118  -2.293
 5751TIP3    H223563  -2.322  -1.213  -2.368
 5752TIP3   OH223564  -2.424  -0.606  -1.839
 5752TIP3    H123565  -2.490  -0.654  -1.892
 5752TIP3    H223566  -2.398  -0.672  -1.772
 5753TIP3   OH223567  -2.387  -0.808  -1.625
 5753TIP3    H123568  -2.409  -0.896  -1.592
 5753TIP3    H223569  -2.348  -0.770  -1.544
 5754TIP3   OH223570  -0.698  -1.332  -2.023
 5754TIP3    H123571  -0.611  -1.291  -2.010
 5754TIP3    H223572  -0.697  -1.401  -1.954
 5755TIP3   OH223573  -0.656  -1.532  -1.836
 5755TIP3    H123574  -0.709  -1.602  -1.799
 5755TIP3    H223575  -0.582  -1.523  -1.775
 5756TIP3   OH223576  -0.619  -1.563  -2.194
 5756TIP3    H123577  -0.672  -1.535  -2.271
 5756TIP3    H223578  -0.638  -1.491  -2.132
 5757TIP3   OH223579  -0.797  -1.814  -2.356
 5757TIP3    H123580  -0.774  -1.753  -2.428
 5757TIP3    H223581  -0.822  -1.895  -2.405
 5758TIP3   OH223582  -2.377  -1.482  -1.394
 5758TIP3    H123583  -2.346  -1.471  -1.486
 5758TIP3    H223584  -2.292  -1.501  -1.350
 5759TIP3   OH223585  -0.856  -2.077  -2.440
 5759TIP3    H123586  -0.796  -2.129  -2.385
 5759TIP3    H223587  -0.935  -2.132  -2.450
 5760TIP3   OH223588  -0.862  -1.937  -1.923
 5760TIP3    H123589  -0.847  -2.029  -1.943
 5760TIP3    H223590  -0.779  -1.896  -1.954
 5761TIP3   OH223591  -2.348  -1.951  -0.756
 5761TIP3    H123592  -2.264  -1.988  -0.730
 5761TIP3    H223593  -2.406  -2.029  -0.753
 5762TIP3   OH223594  -2.312  -2.109  -1.469
 5762TIP3    H123595  -2.269  -2.196  -1.461
 5762TIP3    H223596  -2.241  -2.051  -1.435
 5763TIP3   OH223597  -2.462  -1.831  -1.378
 5763TIP3    H123598  -2.393  -1.847  -1.444
 5763TIP3    H223599  -2.421  -1.760  -1.326
 5764TIP3   OH223600  -0.642  -2.188  -2.280
 5764TIP3    H123601  -0.601  -2.263  -2.325
 5764TIP3    H223602  -0.564  -2.133  -2.258
 5765TIP3   OH223603  -2.412  -2.211  -1.968
 5765TIP3    H123604  -2.509  -2.195  -1.975
 5765TIP3    H223605  -2.375  -2.146  -2.030
 5766TIP3   OH223606  -0.935  -0.687  -1.756
 5766TIP3    H123607  -0.875  -0.716  -1.827
 5766TIP3    H223608  -0.877  -0.638  -1.698
 5767TIP3   OH223609  -2.401  -2.312  -1.150
 5767TIP3    H123610  -2.469  -2.351  -1.093
 5767TIP3    H223611  -2.454  -2.276  -1.222
 5768TIP3   OH223612  -2.251  -0.735  -1.372
 5768TIP3    H123613  -2.210  -0.748  -1.286
 5768TIP3    H223614  -2.172  -0.728  -1.428
 5769TIP3   OH223615  -2.027  -0.859  -1.537
 5769TIP3    H123616  -2.039  -0.951  -1.507
 5769TIP3    H223617  -1.935  -0.843  -1.506
 5770TIP3   OH223618  -1.768  -0.834  -1.445
 5770TIP3    H123619  -1.699  -0.892  -1.477
 5770TIP3    H223620  -1.729  -0.802  -1.362
 5771TIP3   OH223621  -1.402  -2.231  -1.516
 5771TIP3    H123622  -1.479  -2.289  -1.501
 5771TIP3    H223623  -1.362  -2.273  -1.593
 5772TIP3   OH223624  -0.874  -2.428  -1.527
 5772TIP3    H123625  -0.809  -2.357  -1.538
 5772TIP3    H223626  -0.960  -2.383  -1.531
 5773TIP3   OH223627  -2.176  -2.355  -1.771
 5773TIP3    H123628  -2.263  -2.370  -1.813
 5773TIP3    H223629  -2.135  -2.443  -1.781
 5774TIP3   OH223630  -2.297  -2.406  -2.180
 5774TIP3    H123631  -2.246  -2.338  -2.229
 5774TIP3    H223632  -2.339  -2.353  -2.110
 5775TIP3   OH223633  -1.727  -2.368  -1.782
 5775TIP3    H123634  -1.632  -2.348  -1.788
 5775TIP3    H223635  -1.737  -2.379  -1.687
 5776TIP3   OH223636  -1.141  -2.379  -1.659
 5776TIP3    H123637  -1.192  -2.397  -1.739
 5776TIP3    H223638  -1.184  -2.443  -1.598
 5777TIP3   OH223639  -2.275  -0.807  -2.067
 5777TIP3    H123640  -2.342  -0.813  -2.137
 5777TIP3    H223641  -2.276  -0.712  -2.050
 5778TIP3   OH223642  -2.123  -2.222  -2.337
 5778TIP3    H123643  -2.063  -2.281  -2.386
 5778TIP3    H223644  -2.065  -2.190  -2.266
 5779TIP3   OH223645  -1.606  -2.205  -2.078
 5779TIP3    H123646  -1.587  -2.267  -2.006
 5779TIP3    H223647  -1.595  -2.120  -2.033
 5780TIP3   OH223648  -1.411  -0.626  -2.251
 5780TIP3    H123649  -1.313  -0.626  -2.251
 5780TIP3    H223650  -1.428  -0.696  -2.316
 5781TIP3   OH223651  -0.720  -0.723  -1.960
 5781TIP3    H123652  -0.749  -0.798  -2.013
 5781TIP3    H223653  -0.725  -0.649  -2.021
 5782TIP3   OH223654  -2.181  -2.319  -0.756
 5782TIP3    H123655  -2.220  -2.408  -0.765
 5782TIP3    H223656  -2.098  -2.329  -0.803
 5783TIP3   OH223657  -2.134  -0.717  -2.383
 5783TIP3    H123658  -2.158  -0.689  -2.294
 5783TIP3    H223659  -2.055  -0.772  -2.367
 5784TIP3   OH223660   1.221  -2.122  -1.295
 5784TIP3    H123661   1.229  -2.044  -1.240
 5784TIP3    H223662   1.278  -2.096  -1.370
 5785TIP3   OH223663   0.682  -1.848  -1.329
 5785TIP3    H123664   0.684  -1.944  -1.321
 5785TIP3    H223665   0.646  -1.837  -1.419
 5786TIP3   OH223666  -0.037  -2.051  -1.613
 5786TIP3    H123667  -0.013  -1.966  -1.656
 5786TIP3    H223668  -0.066  -2.102  -1.691
 5787TIP3   OH223669   0.757  -2.037  -1.793
 5787TIP3    H123670   0.809  -2.075  -1.719
 5787TIP3    H223671   0.824  -1.980  -1.833
 5788TIP3   OH223672  -0.152  -2.154  -1.216
 5788TIP3    H123673  -0.179  -2.082  -1.277
 5788TIP3    H223674  -0.215  -2.139  -1.143
 5789TIP3   OH223675   0.945  -2.107  -1.577
 5789TIP3    H123676   0.899  -2.164  -1.515
 5789TIP3    H223677   0.990  -2.044  -1.517
 5790TIP3   OH223678  -0.188  -1.952  -1.400
 5790TIP3    H123679  -0.148  -1.872  -1.360
 5790TIP3    H223680  -0.128  -1.971  -1.475
 5791TIP3   OH223681  -0.432  -1.235  -2.026
 5791TIP3    H123682  -0.447  -1.186  -2.108
 5791TIP3    H223683  -0.412  -1.164  -1.961
 5792TIP3   OH223684   0.953  -2.197  -1.201
 5792TIP3    H123685   0.875  -2.156  -1.242
 5792TIP3    H223686   1.025  -2.174  -1.262
 5793TIP3   OH223687   0.265  -2.423  -1.498
 5793TIP3    H123688   0.243  -2.518  -1.499
 5793TIP3    H223689   0.186  -2.384  -1.456
 5794TIP3   OH223690   0.895  -1.138  -1.850
 5794TIP3    H123691   0.807  -1.119  -1.885
 5794TIP3    H223692   0.885  -1.107  -1.758
 5795TIP3   OH223693   0.447  -1.469  -2.013
 5795TIP3    H123694   0.379  -1.470  -2.080
 5795TIP3    H223695   0.527  -1.491  -2.060
 5796TIP3   OH223696   0.506  -1.700  -2.306
 5796TIP3    H123697   0.578  -1.684  -2.244
 5796TIP3    H223698   0.545  -1.767  -2.365
 5797TIP3   OH223699   0.729  -1.544  -2.126
 5797TIP3    H123700   0.791  -1.598  -2.076
 5797TIP3    H223701   0.780  -1.523  -2.208
 5798TIP3   OH223702   1.065  -2.410  -2.212
 5798TIP3    H123703   0.979  -2.399  -2.169
 5798TIP3    H223704   1.102  -2.320  -2.207
 5799TIP3   OH223705   1.202  -0.988  -2.348
 5799TIP3    H123706   1.220  -0.893  -2.333
 5799TIP3    H223707   1.291  -1.027  -2.335
 5800TIP3   OH223708  -0.210  -0.746  -1.786
 5800TIP3    H123709  -0.189  -0.763  -1.694
 5800TIP3    H223710  -0.301  -0.773  -1.793
 5801TIP3   OH223711   0.778  -0.705  -2.218
 5801TIP3    H123712   0.804  -0.772  -2.283
 5801TIP3    H223713   0.738  -0.759  -2.150
 5802TIP3   OH223714   0.027  -2.307  -1.398
 5802TIP3    H123715  -0.053  -2.316  -1.454
 5802TIP3    H223716  -0.001  -2.232  -1.343
 5803TIP3   OH223717   0.463  -2.356  -1.044
 5803TIP3    H123718   0.513  -2.402  -0.974
 5803TIP3    H223719   0.371  -2.382  -1.026
 5804TIP3   OH223720   0.778  -1.971  -0.994
 5804TIP3    H123721   0.725  -1.990  -0.914
 5804TIP3    H223722   0.762  -1.877  -1.007
 5805TIP3   OH223723   0.881  -1.488  -2.351
 5805TIP3    H123724   0.851  -1.501  -2.443
 5805TIP3    H223725   0.974  -1.464  -2.367
 5806TIP3   OH223726   0.442  -2.098  -2.310
 5806TIP3    H123727   0.392  -2.113  -2.228
 5806TIP3    H223728   0.402  -2.166  -2.368
 5807TIP3   OH223729   0.018  -1.833  -1.758
 5807TIP3    H123730  -0.064  -1.783  -1.766
 5807TIP3    H223731   0.054  -1.827  -1.847
 5808TIP3   OH223732   0.566  -1.746  -1.894
 5808TIP3    H123733   0.511  -1.676  -1.931
 5808TIP3    H223734   0.626  -1.769  -1.966
 5809TIP3   OH223735   0.450  -1.753  -0.755
 5809TIP3    H123736   0.401  -1.825  -0.713
 5809TIP3    H223737   0.534  -1.751  -0.707
 5810TIP3   OH223738   0.636  -1.816  -1.612
 5810TIP3    H123739   0.601  -1.766  -1.688
 5810TIP3    H223740   0.645  -1.904  -1.651
 5811TIP3   OH223741  -0.220  -1.826  -1.117
 5811TIP3    H123742  -0.213  -1.754  -1.052
 5811TIP3    H223743  -0.286  -1.884  -1.078
 5812TIP3   OH223744   0.086  -2.057  -2.422
 5812TIP3    H123745   0.051  -2.086  -2.336
 5812TIP3    H223746   0.005  -2.039  -2.472
 5813TIP3   OH223747  -0.425  -2.033  -2.159
 5813TIP3    H123748  -0.355  -1.984  -2.206
 5813TIP3    H223749  -0.473  -1.960  -2.116
 5814TIP3   OH223750   0.579  -1.651  -1.131
 5814TIP3    H123751   0.610  -1.706  -1.204
 5814TIP3    H223752   0.506  -1.704  -1.094
 5815TIP3   OH223753   0.279  -2.066  -1.672
 5815TIP3    H123754   0.185  -2.059  -1.647
 5815TIP3    H223755   0.321  -2.071  -1.584
 5816TIP3   OH223756  -0.276  -1.906  -1.864
 5816TIP3    H123757  -0.364  -1.924  -1.830
 5816TIP3    H223758  -0.229  -1.991  -1.853
 5817TIP3   OH223759   0.103  -1.918  -2.047
 5817TIP3    H123760   0.195  -1.895  -2.027
 5817TIP3    H223761   0.071  -1.846  -2.103
 5818TIP3   OH223762   0.718  -2.152  -1.371
 5818TIP3    H123763   0.657  -2.148  -1.294
 5818TIP3    H223764   0.655  -2.182  -1.439
 5819TIP3   OH223765  -0.056  -1.780  -2.255
 5819TIP3    H123766  -0.104  -1.808  -2.335
 5819TIP3    H223767   0.025  -1.741  -2.293
 5820TIP3   OH223768  -0.100  -2.159  -1.862
 5820TIP3    H123769  -0.153  -2.240  -1.853
 5820TIP3    H223770  -0.020  -2.190  -1.906
 5821TIP3   OH223771   0.241  -1.941  -1.270
 5821TIP3    H123772   0.178  -1.870  -1.259
 5821TIP3    H223773   0.315  -1.912  -1.214
 5822TIP3   OH223774   0.709  -2.042  -2.293
 5822TIP3    H123775   0.611  -2.047  -2.300
 5822TIP3    H223776   0.724  -1.967  -2.233
 5823TIP3   OH223777   0.780  -1.842  -2.090
 5823TIP3    H123778   0.862  -1.877  -2.048
 5823TIP3    H223779   0.815  -1.789  -2.162
 5824TIP3   OH223780   1.233  -1.857  -2.116
 5824TIP3    H123781   1.183  -1.880  -2.197
 5824TIP3    H223782   1.248  -1.762  -2.133
 5825TIP3   OH223783   1.054  -0.981  -2.092
 5825TIP3    H123784   1.048  -1.061  -2.039
 5825TIP3    H223785   1.106  -1.008  -2.169
 5826TIP3   OH223786   0.770  -1.456  -1.377
 5826TIP3    H123787   0.695  -1.502  -1.340
 5826TIP3    H223788   0.840  -1.521  -1.377
 5827TIP3   OH223789  -0.345  -1.551  -2.294
 5827TIP3    H123790  -0.294  -1.485  -2.244
 5827TIP3    H223791  -0.435  -1.536  -2.259
 5828TIP3   OH223792   0.826  -1.165  -2.286
 5828TIP3    H123793   0.827  -1.216  -2.205
 5828TIP3    H223794   0.731  -1.168  -2.310
 5829TIP3   OH223795   1.257  -0.716  -2.266
 5829TIP3    H123796   1.329  -0.656  -2.293
 5829TIP3    H223797   1.187  -0.651  -2.255
 5830TIP3   OH223798  -0.343  -2.086  -1.018
 5830TIP3    H123799  -0.433  -2.056  -1.032
 5830TIP3    H223800  -0.355  -2.170  -0.970
 5831TIP3   OH223801   0.297  -1.051  -2.456
 5831TIP3    H123802   0.286  -1.127  -2.517
 5831TIP3    H223803   0.216  -1.056  -2.404
 5832TIP3   OH223804   0.561  -2.106  -1.150
 5832TIP3    H123805   0.619  -2.074  -1.080
 5832TIP3    H223806   0.512  -2.178  -1.106
 5833TIP3   OH223807   0.626  -2.164  -2.022
 5833TIP3    H123808   0.646  -2.113  -2.101
 5833TIP3    H223809   0.672  -2.115  -1.951
 5834TIP3   OH223810   0.369  -1.959  -1.927
 5834TIP3    H123811   0.447  -1.905  -1.904
 5834TIP3    H223812   0.334  -1.982  -1.839
 5835TIP3   OH223813   0.404  -1.844  -1.015
 5835TIP3    H123814   0.403  -1.805  -0.925
 5835TIP3    H223815   0.446  -1.929  -0.996
 5836TIP3   OH223816   0.423  -2.263  -1.836
 5836TIP3    H123817   0.403  -2.197  -1.766
 5836TIP3    H223818   0.497  -2.221  -1.883
 5837TIP3   OH223819  -0.004  -2.161  -2.179
 5837TIP3    H123820   0.001  -2.081  -2.122
 5837TIP3    H223821   0.078  -2.207  -2.152
 5838TIP3   OH223822   1.045  -2.073  -0.942
 5838TIP3    H123823   0.950  -2.054  -0.937
 5838TIP3    H223824   1.053  -2.099  -1.034
 5839TIP3   OH223825   0.888  -1.704  -1.550
 5839TIP3    H123826   0.796  -1.736  -1.549
 5839TIP3    H223827   0.928  -1.759  -1.480
 5840TIP3   OH223828  -0.344  -1.847  -2.370
 5840TIP3    H123829  -0.331  -1.758  -2.333
 5840TIP3    H223830  -0.438  -1.848  -2.392
 5841TIP3   OH223831   1.014  -0.785  -1.425
 5841TIP3    H123832   0.923  -0.769  -1.392
 5841TIP3    H223833   1.064  -0.785  -1.342
 5842TIP3   OH223834  -0.236  -2.371  -1.497
 5842TIP3    H123835  -0.278  -2.358  -1.584
 5842TIP3    H223836  -0.287  -2.445  -1.459
 5843TIP3   OH223837  -0.380  -1.007  -1.871
 5843TIP3    H123838  -0.451  -0.948  -1.843
 5843TIP3    H223839  -0.322  -0.944  -1.916
 5844TIP3   OH223840   0.902  -0.895  -2.399
 5844TIP3    H123841   0.920  -0.976  -2.349
 5844TIP3    H223842   0.982  -0.887  -2.454
 5845TIP3   OH223843   0.558  -1.199  -2.445
 5845TIP3    H123844   0.488  -1.166  -2.388
 5845TIP3    H223845   0.525  -1.288  -2.472
 5846TIP3   OH223846   0.197  -1.678  -2.354
 5846TIP3    H123847   0.189  -1.668  -2.450
 5846TIP3    H223848   0.293  -1.675  -2.341
 5847TIP3   OH223849   1.146  -1.451  -2.441
 5847TIP3    H123850   1.127  -1.489  -2.530
 5847TIP3    H223851   1.141  -1.356  -2.463
 5848TIP3   OH223852   0.076  -1.965  -0.863
 5848TIP3    H123853   0.079  -2.034  -0.931
 5848TIP3    H223854   0.054  -1.886  -0.914
 5849TIP3   OH223855   0.117  -2.145  -1.119
 5849TIP3    H123856   0.165  -2.086  -1.181
 5849TIP3    H223857   0.024  -2.135  -1.148
 5850TIP3   OH223858   0.740  -1.827  -0.624
 5850TIP3    H123859   0.760  -1.918  -0.598
 5850TIP3    H223860   0.814  -1.776  -0.592
 5851TIP3   OH223861  -0.094  -1.840  -0.632
 5851TIP3    H123862  -0.174  -1.883  -0.669
 5851TIP3    H223863  -0.038  -1.829  -0.709
 5852TIP3   OH223864   0.186  -2.411  -1.078
 5852TIP3    H123865   0.170  -2.316  -1.093
 5852TIP3    H223866   0.114  -2.451  -1.129
 5853TIP3   OH223867   0.307  -1.983  -0.704
 5853TIP3    H123868   0.269  -1.983  -0.615
 5853TIP3    H223869   0.225  -1.976  -0.757
 5854TIP3   OH223870   0.573  -2.063  -0.809
 5854TIP3    H123871   0.485  -2.050  -0.770
 5854TIP3    H223872   0.622  -2.105  -0.735
 5855TIP3   OH223873   0.765  -2.169  -0.614
 5855TIP3    H123874   0.765  -2.265  -0.613
 5855TIP3    H223875   0.755  -2.146  -0.519
 5856TIP3   OH223876  -0.280  -2.040  -0.682
 5856TIP3    H123877  -0.277  -2.103  -0.755
 5856TIP3    H223878  -0.281  -2.099  -0.604
 5857TIP3   OH223879   0.170  -2.464  -0.797
 5857TIP3    H123880   0.225  -2.543  -0.790
 5857TIP3    H223881   0.168  -2.449  -0.893
 5858TIP3   OH223882   0.260  -2.290  -0.601
 5858TIP3    H123883   0.230  -2.345  -0.677
 5858TIP3    H223884   0.205  -2.212  -0.612
 5859TIP3   OH223885  -0.420  -1.133  -2.319
 5859TIP3    H123886  -0.326  -1.130  -2.296
 5859TIP3    H223887  -0.426  -1.214  -2.373
 5860TIP3   OH223888   1.271  -0.671  -1.333
 5860TIP3    H123889   1.264  -0.668  -1.237
 5860TIP3    H223890   1.364  -0.652  -1.345
 5861TIP3   OH223891   1.217  -1.491  -1.847
 5861TIP3    H123892   1.180  -1.569  -1.802
 5861TIP3    H223893   1.302  -1.479  -1.798
 5862TIP3   OH223894   1.212  -1.241  -1.316
 5862TIP3    H123895   1.252  -1.317  -1.360
 5862TIP3    H223896   1.216  -1.169  -1.380
 5863TIP3   OH223897   1.201  -1.526  -2.151
 5863TIP3    H123898   1.204  -1.516  -2.248
 5863TIP3    H223899   1.270  -1.467  -2.120
 5864TIP3   OH223900   1.081  -1.810  -2.363
 5864TIP3    H123901   1.114  -1.759  -2.439
 5864TIP3    H223902   1.060  -1.896  -2.404
 5865TIP3   OH223903   0.994  -1.653  -1.801
 5865TIP3    H123904   0.999  -1.749  -1.817
 5865TIP3    H223905   0.961  -1.656  -1.707
 5866TIP3   OH223906   1.030  -2.075  -2.436
 5866TIP3    H123907   1.093  -2.129  -2.384
 5866TIP3    H223908   0.956  -2.135  -2.452
 5867TIP3   OH223909   1.014  -1.938  -1.947
 5867TIP3    H123910   1.033  -2.033  -1.930
 5867TIP3    H223911   1.098  -1.913  -1.989
 5868TIP3   OH223912   1.031  -1.885  -1.381
 5868TIP3    H123913   1.127  -1.865  -1.381
 5868TIP3    H223914   1.008  -1.867  -1.289
 5869TIP3   OH223915   1.291  -2.373  -0.624
 5869TIP3    H123916   1.336  -2.449  -0.667
 5869TIP3    H223917   1.316  -2.301  -0.683
 5870TIP3   OH223918   1.057  -2.225  -1.948
 5870TIP3    H123919   1.071  -2.260  -1.859
 5870TIP3    H223920   0.979  -2.277  -1.976
 5871TIP3   OH223921  -0.417  -2.145  -1.443
 5871TIP3    H123922  -0.350  -2.214  -1.436
 5871TIP3    H223923  -0.365  -2.066  -1.422
 5872TIP3   OH223924   1.255  -2.179  -2.283
 5872TIP3    H123925   1.283  -2.259  -2.331
 5872TIP3    H223926   1.337  -2.129  -2.278
 5873TIP3   OH223927  -0.558  -2.215  -1.980
 5873TIP3    H123928  -0.630  -2.156  -2.003
 5873TIP3    H223929  -0.481  -2.160  -1.998
 5874TIP3   OH223930  -0.554  -2.300  -1.124
 5874TIP3    H123931  -0.617  -2.364  -1.087
 5874TIP3    H223932  -0.600  -2.264  -1.200
 5875TIP3   OH223933   1.135  -2.380  -0.960
 5875TIP3    H123934   1.059  -2.347  -1.010
 5875TIP3    H223935   1.153  -2.467  -1.001
 5876TIP3   OH223936   0.477  -2.229  -1.522
 5876TIP3    H123937   0.404  -2.293  -1.510
 5876TIP3    H223938   0.535  -2.276  -1.583
 5877TIP3   OH223939   0.970  -2.427  -1.480
 5877TIP3    H123940   1.045  -2.379  -1.520
 5877TIP3    H223941   0.895  -2.393  -1.530
 5878TIP3   OH223942   1.176  -2.314  -1.693
 5878TIP3    H123943   1.250  -2.355  -1.742
 5878TIP3    H223944   1.209  -2.223  -1.681
 5879TIP3   OH223945  -0.301  -2.356  -1.784
 5879TIP3    H123946  -0.394  -2.373  -1.810
 5879TIP3    H223947  -0.260  -2.444  -1.788
 5880TIP3   OH223948  -0.414  -2.401  -2.172
 5880TIP3    H123949  -0.359  -2.339  -2.223
 5880TIP3    H223950  -0.462  -2.341  -2.112
 5881TIP3   OH223951   0.158  -2.379  -1.780
 5881TIP3    H123952   0.246  -2.340  -1.793
 5881TIP3    H223953   0.152  -2.380  -1.684
 5882TIP3   OH223954   0.715  -2.368  -1.642
 5882TIP3    H123955   0.744  -2.389  -1.732
 5882TIP3    H223956   0.678  -2.453  -1.613
 5883TIP3   OH223957   0.827  -2.369  -2.042
 5883TIP3    H123958   0.744  -2.319  -2.053
 5883TIP3    H223959   0.793  -2.459  -2.026
 5884TIP3   OH223960  -0.373  -0.808  -2.075
 5884TIP3    H123961  -0.453  -0.799  -2.129
 5884TIP3    H223962  -0.359  -0.716  -2.045
 5885TIP3   OH223963  -0.236  -2.229  -2.337
 5885TIP3    H123964  -0.172  -2.281  -2.387
 5885TIP3    H223965  -0.180  -2.193  -2.266
 5886TIP3   OH223966   0.274  -2.207  -2.076
 5886TIP3    H123967   0.307  -2.263  -2.004
 5886TIP3    H223968   0.287  -2.119  -2.038
 5887TIP3   OH223969   1.155  -0.722  -1.978
 5887TIP3    H123970   1.130  -0.805  -2.022
 5887TIP3    H223971   1.127  -0.655  -2.041
 5888TIP3   OH223972  -0.319  -2.332  -0.818
 5888TIP3    H123973  -0.349  -2.415  -0.775
 5888TIP3    H223974  -0.226  -2.336  -0.789
 5889TIP3   OH223975  -0.069  -2.397  -0.623
 5889TIP3    H123976   0.004  -2.437  -0.674
 5889TIP3    H223977  -0.128  -2.474  -0.614
 5890TIP3   OH223978   0.740  -2.474  -0.609
 5890TIP3    H123979   0.757  -2.517  -0.525
 5890TIP3    H223980   0.829  -2.476  -0.650
 5891TIP3   OH223981   2.499  -1.481  -1.746
 5891TIP3    H123982   2.495  -1.387  -1.724
 5891TIP3    H223983   2.418  -1.493  -1.797
 5892TIP3   OH223984   2.383  -1.539  -1.437
 5892TIP3    H123985   2.382  -1.588  -1.353
 5892TIP3    H223986   2.353  -1.607  -1.500
 5893TIP3   OH223987   1.642  -1.560  -1.241
 5893TIP3    H123988   1.636  -1.639  -1.184
 5893TIP3    H223989   1.727  -1.522  -1.217
 5894TIP3   OH223990   2.750  -1.238  -1.588
 5894TIP3    H123991   2.719  -1.311  -1.534
 5894TIP3    H223992   2.787  -1.180  -1.520
 5895TIP3   OH223993   1.721  -1.124  -1.444
 5895TIP3    H123994   1.690  -1.216  -1.457
 5895TIP3    H223995   1.816  -1.138  -1.426
 5896TIP3   OH223996   1.392  -1.776  -1.882
 5896TIP3    H123997   1.360  -1.687  -1.867
 5896TIP3    H223998   1.317  -1.821  -1.923
 5897TIP3   OH223999   1.456  -1.530  -1.711
 5897TIP3    H124000   1.468  -1.599  -1.643
 5897TIP3    H224001   1.548  -1.509  -1.732
 5898TIP3   OH224002   2.454  -0.725  -1.540
 5898TIP3    H124003   2.509  -0.798  -1.572
 5898TIP3    H224004   2.433  -0.757  -1.451
 5899TIP3   OH224005   2.232  -1.291  -1.377
 5899TIP3    H124006   2.269  -1.363  -1.430
 5899TIP3    H224007   2.311  -1.269  -1.324
 5900TIP3   OH224008   3.097  -2.133  -1.316
 5900TIP3    H124009   3.121  -2.076  -1.242
 5900TIP3    H224010   3.159  -2.101  -1.385
 5901TIP3   OH224011   2.562  -1.853  -1.326
 5901TIP3    H124012   2.576  -1.949  -1.321
 5901TIP3    H224013   2.552  -1.840  -1.422
 5902TIP3   OH224014   1.858  -2.051  -1.619
 5902TIP3    H124015   1.872  -1.965  -1.663
 5902TIP3    H224016   1.822  -2.103  -1.693
 5903TIP3   OH224017   2.642  -2.037  -1.791
 5903TIP3    H124018   2.697  -2.078  -1.719
 5903TIP3    H224019   2.711  -1.990  -1.840
 5904TIP3   OH224020   1.525  -1.778  -1.567
 5904TIP3    H124021   1.586  -1.826  -1.509
 5904TIP3    H224022   1.535  -1.827  -1.650
 5905TIP3   OH224023   2.065  -1.639  -1.624
 5905TIP3    H124024   2.135  -1.693  -1.583
 5905TIP3    H224025   2.013  -1.707  -1.672
 5906TIP3   OH224026   3.175  -1.990  -1.063
 5906TIP3    H124027   3.112  -1.923  -1.095
 5906TIP3    H224028   3.140  -2.006  -0.975
 5907TIP3   OH224029   1.734  -2.171  -1.198
 5907TIP3    H124030   1.696  -2.120  -1.272
 5907TIP3    H224031   1.666  -2.155  -1.130
 5908TIP3   OH224032   2.497  -1.189  -1.871
 5908TIP3    H124033   2.447  -1.221  -1.946
 5908TIP3    H224034   2.447  -1.111  -1.843
 5909TIP3   OH224035   2.013  -1.381  -1.203
 5909TIP3    H124036   1.965  -1.312  -1.152
 5909TIP3    H224037   2.087  -1.329  -1.239
 5910TIP3   OH224038   2.823  -2.108  -1.585
 5910TIP3    H124039   2.799  -2.182  -1.526
 5910TIP3    H224040   2.875  -2.053  -1.524
 5911TIP3   OH224041   1.698  -1.968  -1.408
 5911TIP3    H124042   1.761  -1.910  -1.360
 5911TIP3    H224043   1.757  -2.003  -1.478
 5912TIP3   OH224044   1.885  -1.179  -1.074
 5912TIP3    H124045   1.877  -1.090  -1.109
 5912TIP3    H224046   1.808  -1.186  -1.016
 5913TIP3   OH224047   1.417  -1.240  -2.035
 5913TIP3    H124048   1.415  -1.186  -2.115
 5913TIP3    H224049   1.439  -1.174  -1.966
 5914TIP3   OH224050   2.841  -2.194  -1.194
 5914TIP3    H124051   2.761  -2.162  -1.242
 5914TIP3    H224052   2.909  -2.185  -1.263
 5915TIP3   OH224053   2.151  -2.423  -1.496
 5915TIP3    H124054   2.129  -2.518  -1.499
 5915TIP3    H224055   2.069  -2.385  -1.457
 5916TIP3   OH224056   2.631  -0.885  -1.712
 5916TIP3    H124057   2.680  -0.968  -1.715
 5916TIP3    H224058   2.702  -0.820  -1.698
 5917TIP3   OH224059   2.793  -1.114  -1.846
 5917TIP3    H124060   2.714  -1.151  -1.890
 5917TIP3    H224061   2.788  -1.158  -1.759
 5918TIP3   OH224062   2.941  -1.191  -0.983
 5918TIP3    H124063   2.927  -1.264  -1.045
 5918TIP3    H224064   2.934  -1.119  -1.048
 5919TIP3   OH224065   2.360  -1.531  -2.017
 5919TIP3    H124066   2.294  -1.468  -2.052
 5919TIP3    H224067   2.432  -1.523  -2.081
 5920TIP3   OH224068   2.390  -1.708  -2.312
 5920TIP3    H124069   2.458  -1.679  -2.248
 5920TIP3    H224070   2.441  -1.768  -2.368
 5921TIP3   OH224071   3.120  -1.602  -1.191
 5921TIP3    H124072   3.042  -1.541  -1.186
 5921TIP3    H224073   3.164  -1.564  -1.270
 5922TIP3   OH224074   2.713  -1.531  -1.909
 5922TIP3    H124075   2.644  -1.508  -1.842
 5922TIP3    H224076   2.774  -1.585  -1.854
 5923TIP3   OH224077   2.694  -1.675  -1.025
 5923TIP3    H124078   2.700  -1.593  -0.974
 5923TIP3    H224079   2.631  -1.646  -1.093
 5924TIP3   OH224080   1.872  -1.452  -1.731
 5924TIP3    H124081   1.842  -1.497  -1.812
 5924TIP3    H224082   1.937  -1.515  -1.695
 5925TIP3   OH224083   2.016  -1.113  -1.461
 5925TIP3    H124084   2.015  -1.155  -1.548
 5925TIP3    H224085   2.096  -1.154  -1.421
 5926TIP3   OH224086   1.924  -1.573  -1.385
 5926TIP3    H124087   1.986  -1.571  -1.461
 5926TIP3    H224088   1.962  -1.504  -1.326
 5927TIP3   OH224089   2.519  -1.018  -1.334
 5927TIP3    H124090   2.558  -0.950  -1.277
 5927TIP3    H224091   2.537  -1.100  -1.286
 5928TIP3   OH224092   2.611  -1.586  -2.163
 5928TIP3    H124093   2.654  -1.556  -2.079
 5928TIP3    H224094   2.657  -1.528  -2.229
 5929TIP3   OH224095   2.351  -0.925  -1.807
 5929TIP3    H124096   2.404  -0.901  -1.730
 5929TIP3    H224097   2.304  -0.843  -1.828
 5930TIP3   OH224098   2.951  -2.410  -2.213
 5930TIP3    H124099   2.863  -2.402  -2.172
 5930TIP3    H224100   2.985  -2.320  -2.203
 5931TIP3   OH224101   1.766  -1.577  -1.978
 5931TIP3    H124102   1.742  -1.501  -2.033
 5931TIP3    H224103   1.701  -1.643  -2.004
 5932TIP3   OH224104   3.098  -0.990  -2.376
 5932TIP3    H124105   3.110  -0.902  -2.333
 5932TIP3    H224106   3.176  -1.038  -2.342
 5933TIP3   OH224107   1.357  -1.014  -1.452
 5933TIP3    H124108   1.445  -1.044  -1.427
 5933TIP3    H224109   1.334  -0.951  -1.381
 5934TIP3   OH224110   3.211  -0.954  -0.826
 5934TIP3    H124111   3.200  -1.046  -0.856
 5934TIP3    H224112   3.118  -0.930  -0.803
 5935TIP3   OH224113   2.304  -1.021  -0.959
 5935TIP3    H124114   2.320  -0.956  -0.888
 5935TIP3    H224115   2.221  -1.060  -0.932
 5936TIP3   OH224116   2.312  -0.650  -1.958
 5936TIP3    H124117   2.310  -0.638  -2.054
 5936TIP3    H224118   2.308  -0.559  -1.924
 5937TIP3   OH224119   1.686  -0.760  -1.803
 5937TIP3    H124120   1.707  -0.787  -1.711
 5937TIP3    H224121   1.592  -0.781  -1.807
 5938TIP3   OH224122   2.642  -0.718  -2.244
 5938TIP3    H124123   2.692  -0.789  -2.286
 5938TIP3    H224124   2.635  -0.750  -2.152
 5939TIP3   OH224125   2.578  -0.768  -1.965
 5939TIP3    H124126   2.483  -0.753  -1.946
 5939TIP3    H224127   2.599  -0.831  -1.893
 5940TIP3   OH224128   2.896  -1.820  -0.791
 5940TIP3    H124129   2.838  -1.781  -0.858
 5940TIP3    H224130   2.898  -1.913  -0.821
 5941TIP3   OH224131   1.908  -2.309  -1.402
 5941TIP3    H124132   1.825  -2.313  -1.452
 5941TIP3    H224133   1.889  -2.234  -1.344
 5942TIP3   OH224134   2.346  -2.352  -1.041
 5942TIP3    H124135   2.399  -2.402  -0.975
 5942TIP3    H224136   2.256  -2.384  -1.026
 5943TIP3   OH224137   2.664  -1.970  -0.984
 5943TIP3    H124138   2.600  -1.987  -0.913
 5943TIP3    H224139   2.654  -1.875  -1.003
 5944TIP3   OH224140   2.754  -1.471  -2.371
 5944TIP3    H124141   2.744  -1.501  -2.463
 5944TIP3    H224142   2.850  -1.455  -2.366
 5945TIP3   OH224143   2.330  -2.101  -2.310
 5945TIP3    H124144   2.279  -2.112  -2.228
 5945TIP3    H224145   2.286  -2.167  -2.367
 5946TIP3   OH224146   1.891  -1.831  -1.256
 5946TIP3    H124147   1.832  -1.818  -1.179
 5946TIP3    H224148   1.902  -1.740  -1.289
 5947TIP3   OH224149   1.889  -1.821  -1.775
 5947TIP3    H124150   1.793  -1.832  -1.790
 5947TIP3    H224151   1.923  -1.843  -1.863
 5948TIP3   OH224152   2.448  -1.767  -1.897
 5948TIP3    H124153   2.408  -1.683  -1.928
 5948TIP3    H224154   2.518  -1.780  -1.963
 5949TIP3   OH224155   2.370  -1.742  -0.757
 5949TIP3    H124156   2.313  -1.813  -0.723
 5949TIP3    H224157   2.456  -1.761  -0.714
 5950TIP3   OH224158   2.534  -1.827  -1.618
 5950TIP3    H124159   2.506  -1.769  -1.691
 5950TIP3    H224160   2.555  -1.908  -1.668
 5951TIP3   OH224161   1.639  -1.814  -1.077
 5951TIP3    H124162   1.654  -1.781  -0.987
 5951TIP3    H224163   1.594  -1.899  -1.059
 5952TIP3   OH224164   1.979  -2.060  -2.423
 5952TIP3    H124165   1.940  -2.091  -2.339
 5952TIP3    H224166   1.902  -2.024  -2.468
 5953TIP3   OH224167   1.315  -2.065  -1.717
 5953TIP3    H124168   1.373  -2.066  -1.639
 5953TIP3    H224169   1.368  -2.108  -1.786
 5954TIP3   OH224170   1.475  -2.024  -2.142
 5954TIP3    H124171   1.528  -1.976  -2.208
 5954TIP3    H224172   1.405  -1.959  -2.125
 5955TIP3   OH224173   2.441  -1.658  -1.174
 5955TIP3    H124174   2.487  -1.731  -1.222
 5955TIP3    H224175   2.409  -1.705  -1.095
 5956TIP3   OH224176   2.165  -2.064  -1.673
 5956TIP3    H124177   2.071  -2.066  -1.647
 5956TIP3    H224178   2.208  -2.080  -1.587
 5957TIP3   OH224179   1.623  -1.938  -1.806
 5957TIP3    H124180   1.539  -1.914  -1.850
 5957TIP3    H224181   1.651  -2.018  -1.854
 5958TIP3   OH224182   1.987  -1.908  -2.037
 5958TIP3    H124183   2.083  -1.898  -2.030
 5958TIP3    H224184   1.961  -1.847  -2.107
 5959TIP3   OH224185   2.603  -2.144  -1.369
 5959TIP3    H124186   2.540  -2.147  -1.294
 5959TIP3    H224187   2.548  -2.181  -1.440
 5960TIP3   OH224188   1.831  -1.780  -2.259
 5960TIP3    H124189   1.773  -1.809  -2.331
 5960TIP3    H224190   1.913  -1.763  -2.307
 5961TIP3   OH224191   2.908  -0.574  -0.696
 5961TIP3    H124192   2.909  -0.527  -0.780
 5961TIP3    H224193   2.973  -0.525  -0.644
 5962TIP3   OH224194   2.266  -1.810  -1.491
 5962TIP3    H124195   2.343  -1.851  -1.533
 5962TIP3    H224196   2.251  -1.868  -1.414
 5963TIP3   OH224197   1.796  -2.166  -1.873
 5963TIP3    H124198   1.742  -2.245  -1.857
 5963TIP3    H224199   1.878  -2.204  -1.908
 5964TIP3   OH224200   2.164  -1.963  -1.264
 5964TIP3    H124201   2.088  -1.903  -1.260
 5964TIP3    H224202   2.215  -1.938  -1.184
 5965TIP3   OH224203   2.180  -1.325  -2.076
 5965TIP3    H124204   2.102  -1.374  -2.109
 5965TIP3    H224205   2.159  -1.317  -1.979
 5966TIP3   OH224206   2.908  -1.427  -1.200
 5966TIP3    H124207   2.942  -1.344  -1.242
 5966TIP3    H224208   2.819  -1.430  -1.240
 5967TIP3   OH224209   2.597  -2.034  -2.307
 5967TIP3    H124210   2.499  -2.044  -2.301
 5967TIP3    H224211   2.616  -1.970  -2.235
 5968TIP3   OH224212   2.326  -1.329  -0.940
 5968TIP3    H124213   2.308  -1.359  -0.850
 5968TIP3    H224214   2.323  -1.234  -0.931
 5969TIP3   OH224215   2.664  -1.860  -2.098
 5969TIP3    H124216   2.748  -1.875  -2.050
 5969TIP3    H224217   2.674  -1.769  -2.130
 5970TIP3   OH224218   1.679  -1.401  -1.499
 5970TIP3    H124219   1.747  -1.410  -1.568
 5970TIP3    H224220   1.697  -1.478  -1.442
 5971TIP3   OH224221   2.418  -1.187  -2.188
 5971TIP3    H124222   2.395  -1.102  -2.144
 5971TIP3    H224223   2.346  -1.244  -2.156
 5972TIP3   OH224224   2.106  -1.592  -0.738
 5972TIP3    H124225   2.073  -1.610  -0.826
 5972TIP3    H224226   2.199  -1.613  -0.744
 5973TIP3   OH224227   2.585  -1.086  -0.976
 5973TIP3    H124228   2.498  -1.054  -1.008
 5973TIP3    H224229   2.596  -1.034  -0.896
 5974TIP3   OH224230   3.123  -1.862  -2.119
 5974TIP3    H124231   3.064  -1.877  -2.195
 5974TIP3    H224232   3.136  -1.765  -2.128
 5975TIP3   OH224233   3.165  -1.258  -0.840
 5975TIP3    H124234   3.075  -1.226  -0.863
 5975TIP3    H224235   3.201  -1.272  -0.930
 5976TIP3   OH224236   2.932  -1.002  -2.122
 5976TIP3    H124237   2.907  -1.063  -2.050
 5976TIP3    H224238   3.007  -1.046  -2.162
 5977TIP3   OH224239   2.667  -1.465  -1.365
 5977TIP3    H124240   2.574  -1.479  -1.392
 5977TIP3    H224241   2.713  -1.533  -1.418
 5978TIP3   OH224242   1.929  -1.058  -1.775
 5978TIP3    H124243   1.974  -0.971  -1.775
 5978TIP3    H224244   1.837  -1.031  -1.788
 5979TIP3   OH224245   1.517  -1.575  -2.291
 5979TIP3    H124246   1.586  -1.514  -2.258
 5979TIP3    H224247   1.440  -1.517  -2.287
 5980TIP3   OH224248   2.114  -1.287  -1.809
 5980TIP3    H124249   2.084  -1.196  -1.791
 5980TIP3    H224250   2.046  -1.338  -1.763
 5981TIP3   OH224251   2.140  -0.871  -1.179
 5981TIP3    H124252   2.191  -0.793  -1.205
 5981TIP3    H224253   2.202  -0.917  -1.122
 5982TIP3   OH224254   1.976  -0.765  -1.850
 5982TIP3    H124255   1.881  -0.754  -1.837
 5982TIP3    H224256   2.010  -0.677  -1.821
 5983TIP3   OH224257   2.468  -1.292  -1.213
 5983TIP3    H124258   2.444  -1.314  -1.122
 5983TIP3    H224259   2.547  -1.346  -1.227
 5984TIP3   OH224260   2.690  -1.147  -2.323
 5984TIP3    H124261   2.733  -1.191  -2.247
 5984TIP3    H224262   2.597  -1.164  -2.299
 5985TIP3   OH224263   2.760  -0.817  -0.948
 5985TIP3    H124264   2.691  -0.862  -0.999
 5985TIP3    H224265   2.769  -0.736  -1.001
 5986TIP3   OH224266   3.161  -0.731  -2.271
 5986TIP3    H124267   3.233  -0.666  -2.286
 5986TIP3    H224268   3.086  -0.668  -2.264
 5987TIP3   OH224269   1.532  -2.086  -1.011
 5987TIP3    H124270   1.439  -2.063  -1.019
 5987TIP3    H224271   1.527  -2.171  -0.963
 5988TIP3   OH224272   2.785  -1.303  -2.093
 5988TIP3    H124273   2.755  -1.365  -2.024
 5988TIP3    H224274   2.878  -1.292  -2.069
 5989TIP3   OH224275   2.112  -1.052  -2.464
 5989TIP3    H124276   2.141  -1.133  -2.511
 5989TIP3    H224277   2.071  -1.090  -2.385
 5990TIP3   OH224278   1.997  -1.099  -2.193
 5990TIP3    H124279   2.046  -1.152  -2.128
 5990TIP3    H224280   2.011  -1.008  -2.159
 5991TIP3   OH224281   1.667  -1.349  -2.150
 5991TIP3    H124282   1.599  -1.311  -2.092
 5991TIP3    H224283   1.718  -1.269  -2.173
 5992TIP3   OH224284   2.447  -2.110  -1.150
 5992TIP3    H124285   2.508  -2.082  -1.080
 5992TIP3    H224286   2.398  -2.182  -1.108
 5993TIP3   OH224287   2.516  -2.167  -2.024
 5993TIP3    H124288   2.527  -2.106  -2.099
 5993TIP3    H224289   2.555  -2.116  -1.951
 5994TIP3   OH224290   2.289  -0.940  -2.132
 5994TIP3    H124291   2.210  -0.889  -2.107
 5994TIP3    H224292   2.327  -0.885  -2.202
 5995TIP3   OH224293   2.253  -1.966  -1.930
 5995TIP3    H124294   2.327  -1.903  -1.914
 5995TIP3    H224295   2.223  -1.983  -1.839
 5996TIP3   OH224296   2.289  -1.872  -1.015
 5996TIP3    H124297   2.288  -1.819  -0.933
 5996TIP3    H224298   2.342  -1.948  -0.987
 5997TIP3   OH224299   2.307  -2.264  -1.837
 5997TIP3    H124300   2.290  -2.198  -1.767
 5997TIP3    H224301   2.383  -2.223  -1.883
 5998TIP3   OH224302   2.011  -0.828  -2.129
 5998TIP3    H124303   2.004  -0.745  -2.180
 5998TIP3    H224304   1.997  -0.797  -2.037
 5999TIP3   OH224305   1.885  -2.161  -2.183
 5999TIP3    H124306   1.885  -2.086  -2.121
 5999TIP3    H224307   1.965  -2.209  -2.155
 6000TIP3   OH224308   2.919  -2.070  -0.927
 6000TIP3    H124309   2.822  -2.058  -0.939
 6000TIP3    H224310   2.939  -2.100  -1.017
 6001TIP3   OH224311   2.769  -1.690  -1.527
 6001TIP3    H124312   2.684  -1.733  -1.548
 6001TIP3    H224313   2.816  -1.759  -1.476
 6002TIP3   OH224314   1.723  -1.075  -2.278
 6002TIP3    H124315   1.795  -1.024  -2.235
 6002TIP3    H224316   1.776  -1.127  -2.340
 6003TIP3   OH224317   1.531  -1.852  -2.353
 6003TIP3    H124318   1.542  -1.758  -2.332
 6003TIP3    H224319   1.452  -1.852  -2.408
 6004TIP3   OH224320   2.837  -0.785  -1.377
 6004TIP3    H124321   2.864  -0.705  -1.424
 6004TIP3    H224322   2.919  -0.834  -1.364
 6005TIP3   OH224323   1.632  -2.353  -1.485
 6005TIP3    H124324   1.612  -2.355  -1.581
 6005TIP3    H224325   1.597  -2.438  -1.454
 6006TIP3   OH224326   1.500  -1.021  -1.876
 6006TIP3    H124327   1.441  -0.957  -1.835
 6006TIP3    H224328   1.565  -0.963  -1.918
 6007TIP3   OH224329   2.334  -0.879  -2.418
 6007TIP3    H124330   2.256  -0.939  -2.420
 6007TIP3    H224331   2.402  -0.941  -2.450
 6008TIP3   OH224332   2.538  -0.989  -0.690
 6008TIP3    H124333   2.542  -1.082  -0.668
 6008TIP3    H224334   2.609  -0.949  -0.636
 6009TIP3   OH224335   2.814  -0.897  -2.445
 6009TIP3    H124336   2.826  -0.961  -2.373
 6009TIP3    H224337   2.904  -0.865  -2.460
 6010TIP3   OH224338   1.876  -1.309  -2.429
 6010TIP3    H124339   1.893  -1.367  -2.353
 6010TIP3    H224340   1.963  -1.313  -2.474
 6011TIP3   OH224341   2.403  -1.173  -2.467
 6011TIP3    H124342   2.396  -1.179  -2.370
 6011TIP3    H224343   2.395  -1.268  -2.490
 6012TIP3   OH224344   2.657  -1.371  -0.958
 6012TIP3    H124345   2.731  -1.316  -0.987
 6012TIP3    H224346   2.588  -1.303  -0.952
 6013TIP3   OH224347   1.980  -1.498  -2.198
 6013TIP3    H124348   1.925  -1.550  -2.138
 6013TIP3    H224349   2.013  -1.567  -2.259
 6014TIP3   OH224350   1.897  -1.699  -0.969
 6014TIP3    H124351   1.870  -1.620  -0.922
 6014TIP3    H224352   1.975  -1.669  -1.020
 6015TIP3   OH224353   2.081  -1.697  -2.369
 6015TIP3    H124354   2.075  -1.690  -2.466
 6015TIP3    H224355   2.178  -1.699  -2.356
 6016TIP3   OH224356   2.478  -1.435  -0.646
 6016TIP3    H124357   2.558  -1.485  -0.668
 6016TIP3    H224358   2.418  -1.503  -0.615
 6017TIP3   OH224359   3.022  -1.451  -2.431
 6017TIP3    H124360   3.022  -1.491  -2.520
 6017TIP3    H224361   3.046  -1.360  -2.451
 6018TIP3   OH224362   1.956  -1.987  -0.852
 6018TIP3    H124363   1.968  -2.052  -0.924
 6018TIP3    H224364   1.939  -1.905  -0.901
 6019TIP3   OH224365   2.000  -2.148  -1.111
 6019TIP3    H124366   2.052  -2.093  -1.172
 6019TIP3    H224367   1.909  -2.140  -1.144
 6020TIP3   OH224368   2.147  -1.602  -1.080
 6020TIP3    H124369   2.236  -1.608  -1.118
 6020TIP3    H224370   2.125  -1.509  -1.098
 6021TIP3   OH224371   2.611  -1.804  -0.595
 6021TIP3    H124372   2.628  -1.898  -0.577
 6021TIP3    H224373   2.700  -1.768  -0.602
 6022TIP3   OH224374   2.725  -1.532  -0.745
 6022TIP3    H124375   2.682  -1.473  -0.810
 6022TIP3    H224376   2.814  -1.539  -0.786
 6023TIP3   OH224377   1.783  -1.815  -0.657
 6023TIP3    H124378   1.712  -1.881  -0.669
 6023TIP3    H224379   1.857  -1.849  -0.708
 6024TIP3   OH224380   2.072  -2.414  -1.076
 6024TIP3    H124381   2.055  -2.318  -1.091
 6024TIP3    H224382   2.000  -2.454  -1.129
 6025TIP3   OH224383   2.197  -1.963  -0.699
 6025TIP3    H124384   2.163  -1.979  -0.609
 6025TIP3    H224385   2.114  -1.976  -0.749
 6026TIP3   OH224386   2.451  -2.052  -0.812
 6026TIP3    H124387   2.363  -2.044  -0.771
 6026TIP3    H224388   2.496  -2.115  -0.751
 6027TIP3   OH224389   2.644  -2.204  -0.635
 6027TIP3    H124390   2.621  -2.298  -0.621
 6027TIP3    H224391   2.618  -2.162  -0.550
 6028TIP3   OH224392   1.590  -2.040  -0.672
 6028TIP3    H124393   1.610  -2.099  -0.746
 6028TIP3    H224394   1.604  -2.099  -0.595
 6029TIP3   OH224395   2.054  -2.467  -0.795
 6029TIP3    H124396   2.117  -2.541  -0.789
 6029TIP3    H224397   2.053  -2.450  -0.891
 6030TIP3   OH224398   2.151  -2.280  -0.609
 6030TIP3    H124399   2.115  -2.336  -0.680
 6030TIP3    H224400   2.084  -2.210  -0.600
 6031TIP3   OH224401   2.056  -0.574  -2.263
 6031TIP3    H124402   2.151  -0.559  -2.245
 6031TIP3    H224403   2.046  -0.527  -2.346
 6032TIP3   OH224404   1.447  -1.134  -2.308
 6032TIP3    H124405   1.542  -1.114  -2.290
 6032TIP3    H224406   1.454  -1.212  -2.366
 6033TIP3   OH224407   1.400  -0.802  -1.659
 6033TIP3    H124408   1.357  -0.883  -1.627
 6033TIP3    H224409   1.407  -0.755  -1.574
 6034TIP3   OH224410   3.145  -0.669  -1.345
 6034TIP3    H124411   3.139  -0.693  -1.251
 6034TIP3    H224412   3.240  -0.665  -1.359
 6035TIP3   OH224413   3.111  -0.759  -1.055
 6035TIP3    H124414   3.053  -0.829  -1.089
 6035TIP3    H224415   3.166  -0.807  -0.992
 6036TIP3   OH224416   2.941  -1.187  -0.586
 6036TIP3    H124417   2.850  -1.191  -0.555
 6036TIP3    H224418   2.971  -1.099  -0.559
 6037TIP3   OH224419   3.075  -1.308  -2.046
 6037TIP3    H124420   3.165  -1.278  -2.025
 6037TIP3    H224421   3.060  -1.370  -1.972
 6038TIP3   OH224422   3.117  -1.516  -1.850
 6038TIP3    H124423   3.049  -1.568  -1.803
 6038TIP3    H224424   3.184  -1.500  -1.780
 6039TIP3   OH224425   3.147  -1.568  -2.190
 6039TIP3    H124426   3.091  -1.538  -2.263
 6039TIP3    H224427   3.131  -1.500  -2.123
 6040TIP3   OH224428   2.964  -1.810  -2.366
 6040TIP3    H124429   2.998  -1.750  -2.434
 6040TIP3    H224430   2.947  -1.892  -2.415
 6041TIP3   OH224431   2.908  -1.701  -1.766
 6041TIP3    H124432   2.901  -1.797  -1.776
 6041TIP3    H224433   2.872  -1.688  -1.676
 6042TIP3   OH224434   1.384  -1.510  -1.388
 6042TIP3    H124435   1.418  -1.476  -1.472
 6042TIP3    H224436   1.464  -1.507  -1.332
 6043TIP3   OH224437   2.977  -1.502  -0.849
 6043TIP3    H124438   3.048  -1.567  -0.836
 6043TIP3    H224439   3.026  -1.422  -0.872
 6044TIP3   OH224440   3.129  -1.697  -0.730
 6044TIP3    H124441   3.047  -1.747  -0.751
 6044TIP3    H224442   3.195  -1.769  -0.733
 6045TIP3   OH224443   2.919  -2.095  -2.456
 6045TIP3    H124444   2.975  -2.126  -2.382
 6045TIP3    H224445   2.832  -2.131  -2.435
 6046TIP3   OH224446   2.895  -1.951  -1.949
 6046TIP3    H124447   2.920  -2.046  -1.939
 6046TIP3    H224448   2.978  -1.915  -1.984
 6047TIP3   OH224449   2.921  -1.887  -1.404
 6047TIP3    H124450   3.018  -1.880  -1.403
 6047TIP3    H224451   2.903  -1.888  -1.308
 6048TIP3   OH224452   2.938  -1.818  -1.121
 6048TIP3    H124453   2.852  -1.782  -1.095
 6048TIP3    H224454   2.988  -1.738  -1.143
 6049TIP3   OH224455   3.197  -2.402  -0.590
 6049TIP3    H124456   3.233  -2.473  -0.648
 6049TIP3    H224457   3.195  -2.327  -0.652
 6050TIP3   OH224458   2.946  -2.231  -1.949
 6050TIP3    H124459   2.959  -2.262  -1.857
 6050TIP3    H224460   2.865  -2.279  -1.974
 6051TIP3   OH224461   1.461  -2.107  -1.473
 6051TIP3    H124462   1.504  -2.193  -1.463
 6051TIP3    H224463   1.530  -2.047  -1.439
 6052TIP3   OH224464   1.315  -1.825  -1.354
 6052TIP3    H124465   1.372  -1.834  -1.431
 6052TIP3    H224466   1.343  -1.737  -1.322
 6053TIP3   OH224467   3.129  -2.200  -0.768
 6053TIP3    H124468   3.041  -2.159  -0.765
 6053TIP3    H224469   3.119  -2.255  -0.848
 6054TIP3   OH224470   3.140  -2.172  -2.292
 6054TIP3    H124471   3.172  -2.260  -2.320
 6054TIP3    H224472   3.223  -2.128  -2.266
 6055TIP3   OH224473   1.367  -2.211  -1.965
 6055TIP3    H124474   1.272  -2.203  -1.985
 6055TIP3    H224475   1.408  -2.149  -2.029
 6056TIP3   OH224476   2.828  -0.668  -1.757
 6056TIP3    H124477   2.877  -0.708  -1.831
 6056TIP3    H224478   2.898  -0.650  -1.694
 6057TIP3   OH224479   1.369  -2.326  -1.153
 6057TIP3    H124480   1.305  -2.345  -1.083
 6057TIP3    H224481   1.317  -2.268  -1.212
 6058TIP3   OH224482   3.005  -2.376  -0.966
 6058TIP3    H124483   2.933  -2.354  -1.028
 6058TIP3    H224484   3.033  -2.464  -0.999
 6059TIP3   OH224485   1.850  -0.692  -1.225
 6059TIP3    H124486   1.829  -0.667  -1.136
 6059TIP3    H224487   1.886  -0.611  -1.265
 6060TIP3   OH224488   2.298  -0.635  -1.255
 6060TIP3    H124489   2.281  -0.572  -1.326
 6060TIP3    H224490   2.310  -0.576  -1.177
 6061TIP3   OH224491   2.546  -0.766  -1.186
 6061TIP3    H124492   2.456  -0.733  -1.202
 6061TIP3    H224493   2.588  -0.684  -1.154
 6062TIP3   OH224494   2.823  -0.595  -1.151
 6062TIP3    H124495   2.788  -0.511  -1.182
 6062TIP3    H224496   2.826  -0.647  -1.234
 6063TIP3   OH224497   1.552  -0.769  -1.362
 6063TIP3    H124498   1.572  -0.794  -1.271
 6063TIP3    H224499   1.634  -0.794  -1.409
 6064TIP3   OH224500   1.755  -0.857  -1.546
 6064TIP3    H124501   1.743  -0.950  -1.520
 6064TIP3    H224502   1.844  -0.837  -1.510
 6065TIP3   OH224503   2.026  -0.815  -1.454
 6065TIP3    H124504   2.050  -0.907  -1.474
 6065TIP3    H224505   2.031  -0.817  -1.356
 6066TIP3   OH224506   2.358  -2.226  -1.526
 6066TIP3    H124507   2.290  -2.294  -1.510
 6066TIP3    H224508   2.422  -2.273  -1.582
 6067TIP3   OH224509   2.827  -2.385  -1.465
 6067TIP3    H124510   2.915  -2.411  -1.497
 6067TIP3    H224511   2.771  -2.394  -1.543
 6068TIP3   OH224512   3.056  -2.314  -1.700
 6068TIP3    H124513   3.134  -2.359  -1.735
 6068TIP3    H224514   3.090  -2.226  -1.675
 6069TIP3   OH224515   1.595  -2.356  -1.768
 6069TIP3    H124516   1.509  -2.370  -1.812
 6069TIP3    H224517   1.638  -2.442  -1.782
 6070TIP3   OH224518   1.474  -2.405  -2.184
 6070TIP3    H124519   1.528  -2.339  -2.232
 6070TIP3    H224520   1.436  -2.352  -2.112
 6071TIP3   OH224521   2.042  -2.375  -1.780
 6071TIP3    H124522   2.132  -2.341  -1.794
 6071TIP3    H224523   2.039  -2.381  -1.684
 6072TIP3   OH224524   2.590  -2.366  -1.651
 6072TIP3    H124525   2.627  -2.390  -1.737
 6072TIP3    H224526   2.561  -2.453  -1.617
 6073TIP3   OH224527   2.713  -2.370  -2.044
 6073TIP3    H124528   2.632  -2.316  -2.050
 6073TIP3    H224529   2.676  -2.458  -2.025
 6074TIP3   OH224530   1.492  -0.805  -2.084
 6074TIP3    H124531   1.414  -0.815  -2.139
 6074TIP3    H224532   1.489  -0.711  -2.064
 6075TIP3   OH224533   1.649  -2.228  -2.335
 6075TIP3    H124534   1.711  -2.277  -2.391
 6075TIP3    H224535   1.710  -2.190  -2.269
 6076TIP3   OH224536   2.159  -2.207  -2.075
 6076TIP3    H124537   2.193  -2.263  -2.004
 6076TIP3    H224538   2.175  -2.119  -2.037
 6077TIP3   OH224539   2.367  -0.627  -2.254
 6077TIP3    H124540   2.464  -0.629  -2.258
 6077TIP3    H224541   2.344  -0.693  -2.320
 6078TIP3   OH224542   3.016  -0.726  -1.995
 6078TIP3    H124543   2.987  -0.808  -2.039
 6078TIP3    H224544   3.006  -0.661  -2.067
 6079TIP3   OH224545   1.573  -2.331  -0.820
 6079TIP3    H124546   1.539  -2.413  -0.780
 6079TIP3    H224547   1.665  -2.332  -0.786
 6080TIP3   OH224548   1.815  -2.394  -0.642
 6080TIP3    H124549   1.897  -2.429  -0.682
 6080TIP3    H224550   1.780  -2.473  -0.600
 6081TIP3   OH224551   1.638  -0.714  -2.382
 6081TIP3    H124552   1.616  -0.694  -2.290
 6081TIP3    H224553   1.715  -0.772  -2.371
 6082TIP3   OH224554   2.625  -2.484  -0.625
 6082TIP3    H124555   2.630  -2.523  -0.535
 6082TIP3    H224556   2.719  -2.485  -0.651
 6083TIP3   OH224557   2.954  -0.849  -0.749
 6083TIP3    H124558   2.884  -0.865  -0.816
 6083TIP3    H224559   2.940  -0.753  -0.737
 6084TIP3   OH224560   4.216  -1.576  -1.427
 6084TIP3    H124561   4.293  -1.542  -1.377
 6084TIP3    H224562   4.247  -1.571  -1.518
 6085TIP3   OH224563   3.513  -1.578  -1.271
 6085TIP3    H124564   3.509  -1.651  -1.208
 6085TIP3    H224565   3.583  -1.523  -1.233
 6086TIP3   OH224566   3.587  -1.115  -1.413
 6086TIP3    H124567   3.559  -1.204  -1.441
 6086TIP3    H224568   3.681  -1.131  -1.398
 6087TIP3   OH224569   3.283  -1.774  -1.885
 6087TIP3    H124570   3.243  -1.687  -1.865
 6087TIP3    H224571   3.205  -1.824  -1.913
 6088TIP3   OH224572   3.358  -1.529  -1.696
 6088TIP3    H124573   3.372  -1.606  -1.637
 6088TIP3    H224574   3.445  -1.519  -1.736
 6089TIP3   OH224575   4.120  -1.287  -1.365
 6089TIP3    H124576   4.145  -1.358  -1.426
 6089TIP3    H224577   4.205  -1.263  -1.326
 6090TIP3   OH224578   3.747  -2.051  -1.619
 6090TIP3    H124579   3.758  -1.964  -1.664
 6090TIP3    H224580   3.708  -2.103  -1.692
 6091TIP3   OH224581   3.413  -1.779  -1.569
 6091TIP3    H124582   3.473  -1.827  -1.510
 6091TIP3    H224583   3.423  -1.829  -1.652
 6092TIP3   OH224584   3.952  -1.643  -1.621
 6092TIP3    H124585   4.026  -1.695  -1.585
 6092TIP3    H224586   3.901  -1.712  -1.667
 6093TIP3   OH224587   3.626  -2.171  -1.203
 6093TIP3    H124588   3.585  -2.122  -1.276
 6093TIP3    H224589   3.558  -2.162  -1.133
 6094TIP3   OH224590   3.917  -1.390  -1.187
 6094TIP3    H124591   3.843  -1.330  -1.163
 6094TIP3    H224592   3.980  -1.330  -1.229
 6095TIP3   OH224593   3.585  -1.969  -1.409
 6095TIP3    H124594   3.648  -1.910  -1.364
 6095TIP3    H224595   3.642  -2.006  -1.479
 6096TIP3   OH224596   3.716  -1.197  -1.114
 6096TIP3    H124597   3.712  -1.107  -1.151
 6096TIP3    H224598   3.627  -1.202  -1.074
 6097TIP3   OH224599   3.348  -1.227  -2.029
 6097TIP3    H124600   3.328  -1.175  -2.108
 6097TIP3    H224601   3.366  -1.158  -1.961
 6098TIP3   OH224602   4.043  -2.426  -1.487
 6098TIP3    H124603   4.014  -2.519  -1.490
 6098TIP3    H224604   3.963  -2.382  -1.453
 6099TIP3   OH224605   4.266  -1.548  -2.029
 6099TIP3    H124606   4.200  -1.477  -2.037
 6099TIP3    H224607   4.336  -1.513  -2.084
 6100TIP3   OH224608   4.287  -1.700  -2.304
 6100TIP3    H124609   4.372  -1.692  -2.257
 6100TIP3    H224610   4.302  -1.772  -2.366
 6101TIP3   OH224611   3.759  -1.454  -1.730
 6101TIP3    H124612   3.729  -1.498  -1.812
 6101TIP3    H224613   3.824  -1.518  -1.696
 6102TIP3   OH224614   3.897  -1.115  -1.454
 6102TIP3    H124615   3.888  -1.153  -1.542
 6102TIP3    H224616   3.977  -1.160  -1.421
 6103TIP3   OH224617   3.816  -1.574  -1.380
 6103TIP3    H124618   3.875  -1.572  -1.459
 6103TIP3    H224619   3.855  -1.505  -1.323
 6104TIP3   OH224620   3.902  -1.137  -0.897
 6104TIP3    H124621   3.849  -1.068  -0.854
 6104TIP3    H224622   3.841  -1.165  -0.968
 6105TIP3   OH224623   3.596  -1.504  -0.984
 6105TIP3    H124624   3.599  -1.444  -0.908
 6105TIP3    H224625   3.499  -1.512  -0.997
 6106TIP3   OH224626   4.243  -0.928  -1.808
 6106TIP3    H124627   4.299  -0.881  -1.745
 6106TIP3    H224628   4.195  -0.857  -1.851
 6107TIP3   OH224629   3.713  -0.923  -0.816
 6107TIP3    H124630   3.702  -0.915  -0.912
 6107TIP3    H224631   3.623  -0.946  -0.786
 6108TIP3   OH224632   3.652  -1.579  -1.977
 6108TIP3    H124633   3.630  -1.502  -2.033
 6108TIP3    H224634   3.582  -1.641  -2.000
 6109TIP3   OH224635   3.259  -1.307  -1.109
 6109TIP3    H124636   3.210  -1.296  -1.193
 6109TIP3    H224637   3.261  -1.403  -1.100
 6110TIP3   OH224638   3.300  -0.999  -1.437
 6110TIP3    H124639   3.373  -1.053  -1.402
 6110TIP3    H224640   3.232  -1.009  -1.368
 6111TIP3   OH224641   4.175  -1.039  -0.941
 6111TIP3    H124642   4.179  -0.946  -0.913
 6111TIP3    H224643   4.081  -1.062  -0.928
 6112TIP3   OH224644   4.169  -0.641  -1.967
 6112TIP3    H124645   4.223  -0.654  -2.045
 6112TIP3    H224646   4.216  -0.570  -1.921
 6113TIP3   OH224647   3.572  -0.738  -1.793
 6113TIP3    H124648   3.590  -0.783  -1.708
 6113TIP3    H224649   3.488  -0.779  -1.819
 6114TIP3   OH224650   3.472  -1.156  -0.979
 6114TIP3    H124651   3.500  -1.207  -0.901
 6114TIP3    H224652   3.398  -1.208  -1.015
 6115TIP3   OH224653   3.798  -2.308  -1.407
 6115TIP3    H124654   3.714  -2.318  -1.455
 6115TIP3    H224655   3.773  -2.237  -1.346
 6116TIP3   OH224656   4.233  -2.373  -0.977
 6116TIP3    H124657   4.244  -2.446  -0.914
 6116TIP3    H224658   4.141  -2.389  -1.008
 6117TIP3   OH224659   4.235  -2.095  -2.300
 6117TIP3    H124660   4.167  -2.110  -2.233
 6117TIP3    H224661   4.205  -2.156  -2.369
 6118TIP3   OH224662   3.782  -1.828  -1.260
 6118TIP3    H124663   3.715  -1.819  -1.190
 6118TIP3    H224664   3.786  -1.737  -1.298
 6119TIP3   OH224665   3.775  -1.822  -1.774
 6119TIP3    H124666   3.678  -1.830  -1.788
 6119TIP3    H224667   3.807  -1.840  -1.865
 6120TIP3   OH224668   4.298  -1.804  -1.894
 6120TIP3    H124669   4.268  -1.711  -1.895
 6120TIP3    H224670   4.314  -1.819  -1.987
 6121TIP3   OH224671   4.254  -1.738  -0.739
 6121TIP3    H124672   4.194  -1.816  -0.729
 6121TIP3    H224673   4.339  -1.787  -0.742
 6122TIP3   OH224674   3.523  -1.814  -1.081
 6122TIP3    H124675   3.537  -1.781  -0.991
 6122TIP3    H224676   3.480  -1.900  -1.063
 6123TIP3   OH224677   3.864  -2.051  -2.422
 6123TIP3    H124678   3.824  -2.085  -2.340
 6123TIP3    H224679   3.787  -2.037  -2.478
 6124TIP3   OH224680   3.203  -2.062  -1.719
 6124TIP3    H124681   3.258  -2.068  -1.638
 6124TIP3    H224682   3.254  -2.112  -1.784
 6125TIP3   OH224683   3.355  -2.026  -2.148
 6125TIP3    H124684   3.414  -1.975  -2.208
 6125TIP3    H224685   3.290  -1.957  -2.123
 6126TIP3   OH224686   4.353  -1.689  -1.134
 6126TIP3    H124687   4.379  -1.753  -1.204
 6126TIP3    H224688   4.271  -1.729  -1.104
 6127TIP3   OH224689   4.045  -2.088  -1.668
 6127TIP3    H124690   3.952  -2.075  -1.645
 6127TIP3    H224691   4.087  -2.059  -1.585
 6128TIP3   OH224692   3.510  -1.939  -1.805
 6128TIP3    H124693   3.427  -1.913  -1.848
 6128TIP3    H224694   3.536  -2.020  -1.853
 6129TIP3   OH224695   3.866  -1.910  -2.041
 6129TIP3    H124696   3.962  -1.901  -2.030
 6129TIP3    H224697   3.843  -1.844  -2.108
 6130TIP3   OH224698   3.719  -1.782  -2.261
 6130TIP3    H124699   3.661  -1.810  -2.333
 6130TIP3    H224700   3.802  -1.765  -2.309
 6131TIP3   OH224701   3.586  -1.310  -0.758
 6131TIP3    H124702   3.648  -1.294  -0.685
 6131TIP3    H224703   3.502  -1.312  -0.708
 6132TIP3   OH224704   4.141  -1.852  -1.533
 6132TIP3    H124705   4.223  -1.885  -1.572
 6132TIP3    H224706   4.161  -1.857  -1.438
 6133TIP3   OH224707   3.682  -2.168  -1.876
 6133TIP3    H124708   3.625  -2.244  -1.856
 6133TIP3    H224709   3.764  -2.210  -1.906
 6134TIP3   OH224710   4.050  -1.973  -1.261
 6134TIP3    H124711   3.978  -1.909  -1.275
 6134TIP3    H224712   4.099  -1.933  -1.187
 6135TIP3   OH224713   4.072  -1.342  -2.069
 6135TIP3    H124714   3.993  -1.385  -2.106
 6135TIP3    H224715   4.048  -1.329  -1.974
 6136TIP3   OH224716   4.213  -1.337  -0.944
 6136TIP3    H124717   4.180  -1.347  -0.854
 6136TIP3    H224718   4.214  -1.241  -0.958
 6137TIP3   OH224719   3.581  -1.384  -1.492
 6137TIP3    H124720   3.636  -1.397  -1.571
 6137TIP3    H224721   3.583  -1.471  -1.451
 6138TIP3   OH224722   4.286  -1.201  -2.170
 6138TIP3    H124723   4.261  -1.109  -2.146
 6138TIP3    H224724   4.208  -1.250  -2.138
 6139TIP3   OH224725   3.307  -1.558  -0.966
 6139TIP3    H124726   3.316  -1.604  -0.880
 6139TIP3    H224727   3.244  -1.613  -1.015
 6140TIP3   OH224728   4.002  -1.606  -0.761
 6140TIP3    H124729   3.961  -1.639  -0.843
 6140TIP3    H224730   4.095  -1.633  -0.774
 6141TIP3   OH224731   3.815  -1.057  -1.768
 6141TIP3    H124732   3.858  -0.971  -1.780
 6141TIP3    H224733   3.723  -1.036  -1.788
 6142TIP3   OH224734   3.410  -1.564  -2.316
 6142TIP3    H124735   3.470  -1.503  -2.270
 6142TIP3    H224736   3.326  -1.547  -2.269
 6143TIP3   OH224737   3.995  -1.289  -1.806
 6143TIP3    H124738   3.971  -1.197  -1.791
 6143TIP3    H224739   3.921  -1.336  -1.763
 6144TIP3   OH224740   4.020  -0.857  -1.165
 6144TIP3    H124741   4.076  -0.786  -1.201
 6144TIP3    H224742   4.086  -0.910  -1.118
 6145TIP3   OH224743   3.859  -0.767  -1.845
 6145TIP3    H124744   3.764  -0.750  -1.836
 6145TIP3    H224745   3.897  -0.680  -1.823
 6146TIP3   OH224746   3.435  -2.091  -1.001
 6146TIP3    H124747   3.345  -2.066  -1.031
 6146TIP3    H224748   3.418  -2.181  -0.968
 6147TIP3   OH224749   3.417  -0.913  -1.162
 6147TIP3    H124750   3.436  -1.007  -1.149
 6147TIP3    H224751   3.438  -0.877  -1.075
 6148TIP3   OH224752   3.987  -1.047  -2.465
 6148TIP3    H124753   4.033  -1.120  -2.511
 6148TIP3    H224754   3.959  -1.092  -2.384
 6149TIP3   OH224755   3.880  -1.106  -2.183
 6149TIP3    H124756   3.936  -1.155  -2.121
 6149TIP3    H224757   3.898  -1.013  -2.158
 6150TIP3   OH224758   3.562  -1.357  -2.155
 6150TIP3    H124759   3.493  -1.316  -2.099
 6150TIP3    H224760   3.616  -1.279  -2.179
 6151TIP3   OH224761   4.339  -2.064  -1.095
 6151TIP3    H124762   4.380  -2.145  -1.063
 6151TIP3    H224763   4.276  -2.098  -1.161
 6152TIP3   OH224764   4.163  -0.942  -2.137
 6152TIP3    H124765   4.090  -0.882  -2.116
 6152TIP3    H224766   4.224  -0.885  -2.185
 6153TIP3   OH224767   4.115  -1.995  -1.928
 6153TIP3    H124768   4.188  -1.932  -1.905
 6153TIP3    H224769   4.081  -2.012  -1.838
 6154TIP3   OH224770   4.160  -1.883  -1.008
 6154TIP3    H124771   4.185  -1.824  -0.936
 6154TIP3    H224772   4.236  -1.944  -1.014
 6155TIP3   OH224773   4.195  -2.271  -1.810
 6155TIP3    H124774   4.165  -2.192  -1.759
 6155TIP3    H224775   4.272  -2.234  -1.857
 6156TIP3   OH224776   3.889  -0.830  -2.130
 6156TIP3    H124777   3.891  -0.747  -2.182
 6156TIP3    H224778   3.882  -0.797  -2.039
 6157TIP3   OH224779   3.769  -2.161  -2.187
 6157TIP3    H124780   3.768  -2.087  -2.123
 6157TIP3    H224781   3.849  -2.210  -2.159
 6158TIP3   OH224782   3.609  -1.073  -2.280
 6158TIP3    H124783   3.680  -1.024  -2.236
 6158TIP3    H224784   3.662  -1.126  -2.341
 6159TIP3   OH224785   3.424  -1.855  -2.364
 6159TIP3    H124786   3.440  -1.761  -2.345
 6159TIP3    H224787   3.335  -1.854  -2.398
 6160TIP3   OH224788   3.521  -2.356  -1.484
 6160TIP3    H124789   3.493  -2.359  -1.577
 6160TIP3    H224790   3.481  -2.439  -1.447
 6161TIP3   OH224791   3.402  -1.009  -1.863
 6161TIP3    H124792   3.332  -0.956  -1.824
 6161TIP3    H224793   3.441  -0.948  -1.928
 6162TIP3   OH224794   3.342  -0.707  -0.737
 6162TIP3    H124795   3.389  -0.736  -0.657
 6162TIP3    H224796   3.293  -0.786  -0.764
 6163TIP3   OH224797   3.811  -0.813  -0.560
 6163TIP3    H124798   3.885  -0.874  -0.548
 6163TIP3    H224799   3.787  -0.830  -0.653
 6164TIP3   OH224800   4.231  -0.881  -2.443
 6164TIP3    H124801   4.153  -0.938  -2.432
 6164TIP3    H224802   4.300  -0.950  -2.443
 6165TIP3   OH224803   3.342  -1.349  -0.630
 6165TIP3    H124804   3.350  -1.439  -0.667
 6165TIP3    H224805   3.265  -1.317  -0.681
 6166TIP3   OH224806   3.760  -1.308  -2.430
 6166TIP3    H124807   3.782  -1.366  -2.355
 6166TIP3    H224808   3.847  -1.307  -2.476
 6167TIP3   OH224809   4.007  -1.330  -0.698
 6167TIP3    H124810   3.978  -1.296  -0.785
 6167TIP3    H224811   4.015  -1.426  -0.715
 6168TIP3   OH224812   4.248  -1.170  -2.469
 6168TIP3    H124813   4.288  -1.158  -2.381
 6168TIP3    H224814   4.253  -1.266  -2.478
 6169TIP3   OH224815   3.428  -1.632  -0.712
 6169TIP3    H124816   3.496  -1.701  -0.711
 6169TIP3    H224817   3.415  -1.617  -0.617
 6170TIP3   OH224818   3.868  -1.500  -2.198
 6170TIP3    H124819   3.809  -1.552  -2.142
 6170TIP3    H224820   3.902  -1.568  -2.259
 6171TIP3   OH224821   3.800  -1.714  -0.961
 6171TIP3    H124822   3.736  -1.640  -0.954
 6171TIP3    H224823   3.849  -1.690  -1.041
 6172TIP3   OH224824   3.979  -1.702  -2.368
 6172TIP3    H124825   3.971  -1.690  -2.464
 6172TIP3    H224826   4.074  -1.686  -2.355
 6173TIP3   OH224827   4.285  -1.469  -0.598
 6173TIP3    H124828   4.352  -1.499  -0.660
 6173TIP3    H224829   4.267  -1.553  -0.552
 6174TIP3   OH224830   3.858  -1.991  -0.854
 6174TIP3    H124831   3.861  -2.058  -0.924
 6174TIP3    H224832   3.840  -1.910  -0.905
 6175TIP3   OH224833   3.887  -2.148  -1.112
 6175TIP3    H124834   3.935  -2.090  -1.175
 6175TIP3    H224835   3.795  -2.145  -1.146
 6176TIP3   OH224836   4.072  -1.607  -1.079
 6176TIP3    H124837   4.135  -1.607  -1.152
 6176TIP3    H224838   4.028  -1.522  -1.092
 6177TIP3   OH224839   3.682  -1.813  -0.667
 6177TIP3    H124840   3.622  -1.890  -0.676
 6177TIP3    H224841   3.755  -1.839  -0.726
 6178TIP3   OH224842   3.971  -2.410  -1.076
 6178TIP3    H124843   3.947  -2.316  -1.093
 6178TIP3    H224844   3.904  -2.456  -1.130
 6179TIP3   OH224845   4.103  -1.963  -0.699
 6179TIP3    H124846   4.061  -1.993  -0.617
 6179TIP3    H224847   4.032  -1.984  -0.763
 6180TIP3   OH224848   3.543  -2.063  -0.694
 6180TIP3    H124849   3.530  -2.133  -0.761
 6180TIP3    H224850   3.516  -2.111  -0.613
 6181TIP3   OH224851   3.946  -2.463  -0.793
 6181TIP3    H124852   4.005  -2.539  -0.791
 6181TIP3    H224853   3.939  -2.447  -0.889
 6182TIP3   OH224854   4.036  -2.282  -0.600
 6182TIP3    H124855   4.009  -2.338  -0.675
 6182TIP3    H224856   3.969  -2.211  -0.604
 6183TIP3   OH224857   3.955  -0.576  -2.258
 6183TIP3    H124858   4.052  -0.570  -2.249
 6183TIP3    H224859   3.941  -0.534  -2.343
 6184TIP3   OH224860   3.329  -1.137  -2.311
 6184TIP3    H124861   3.425  -1.120  -2.295
 6184TIP3    H224862   3.333  -1.213  -2.373
 6185TIP3   OH224863   3.234  -0.615  -1.833
 6185TIP3    H124864   3.161  -0.653  -1.885
 6185TIP3    H224865   3.244  -0.683  -1.763
 6186TIP3   OH224866   3.273  -0.812  -1.640
 6186TIP3    H124867   3.251  -0.901  -1.605
 6186TIP3    H224868   3.302  -0.775  -1.555
 6187TIP3   OH224869   3.268  -1.478  -1.390
 6187TIP3    H124870   3.282  -1.450  -1.481
 6187TIP3    H224871   3.360  -1.482  -1.356
 6188TIP3   OH224872   3.275  -1.942  -0.746
 6188TIP3    H124873   3.366  -1.974  -0.755
 6188TIP3    H224874   3.225  -2.026  -0.749
 6189TIP3   OH224875   3.349  -2.111  -1.479
 6189TIP3    H124876   3.391  -2.197  -1.463
 6189TIP3    H224877   3.414  -2.051  -1.439
 6190TIP3   OH224878   3.208  -1.846  -1.368
 6190TIP3    H124879   3.262  -1.841  -1.449
 6190TIP3    H224880   3.235  -1.766  -1.322
 6191TIP3   OH224881   3.254  -2.217  -1.972
 6191TIP3    H124882   3.158  -2.204  -1.980
 6191TIP3    H224883   3.291  -2.147  -2.030
 6192TIP3   OH224884   3.257  -2.307  -1.140
 6192TIP3    H124885   3.191  -2.363  -1.098
 6192TIP3    H224886   3.206  -2.273  -1.216
 6193TIP3   OH224887   3.455  -1.013  -0.677
 6193TIP3    H124888   3.386  -1.010  -0.746
 6193TIP3    H224889   3.403  -1.011  -0.596
 6194TIP3   OH224890   3.742  -0.911  -1.110
 6194TIP3    H124891   3.707  -0.828  -1.149
 6194TIP3    H224892   3.837  -0.900  -1.131
 6195TIP3   OH224893   4.219  -0.749  -0.825
 6195TIP3    H124894   4.205  -0.785  -0.736
 6195TIP3    H224895   4.314  -0.726  -0.819
 6196TIP3   OH224896   3.480  -0.614  -1.079
 6196TIP3    H124897   3.417  -0.559  -1.128
 6196TIP3    H224898   3.444  -0.606  -0.990
 6197TIP3   OH224899   3.731  -0.637  -1.221
 6197TIP3    H124900   3.643  -0.623  -1.180
 6197TIP3    H224901   3.731  -0.571  -1.292
 6198TIP3   OH224902   4.196  -0.662  -1.267
 6198TIP3    H124903   4.178  -0.616  -1.351
 6198TIP3    H224904   4.257  -0.603  -1.223
 6199TIP3   OH224905   3.440  -0.729  -1.382
 6199TIP3    H124906   3.426  -0.787  -1.304
 6199TIP3    H224907   3.505  -0.784  -1.431
 6200TIP3   OH224908   3.636  -0.863  -1.546
 6200TIP3    H124909   3.617  -0.954  -1.515
 6200TIP3    H224910   3.726  -0.848  -1.510
 6201TIP3   OH224911   3.914  -0.812  -1.454
 6201TIP3    H124912   3.934  -0.904  -1.477
 6201TIP3    H224913   3.919  -0.817  -1.357
 6202TIP3   OH224914   4.270  -2.266  -1.517
 6202TIP3    H124915   4.182  -2.307  -1.507
 6202TIP3    H224916   4.293  -2.294  -1.606
 6203TIP3   OH224917   3.483  -2.354  -1.773
 6203TIP3    H124918   3.394  -2.370  -1.812
 6203TIP3    H224919   3.523  -2.443  -1.779
 6204TIP3   OH224920   3.351  -2.401  -2.187
 6204TIP3    H124921   3.412  -2.338  -2.229
 6204TIP3    H224922   3.322  -2.352  -2.108
 6205TIP3   OH224923   3.933  -2.374  -1.780
 6205TIP3    H124924   4.025  -2.343  -1.786
 6205TIP3    H224925   3.923  -2.381  -1.684
 6206TIP3   OH224926   3.382  -0.810  -2.066
 6206TIP3    H124927   3.315  -0.820  -2.136
 6206TIP3    H224928   3.379  -0.715  -2.051
 6207TIP3   OH224929   3.533  -2.225  -2.339
 6207TIP3    H124930   3.596  -2.281  -2.387
 6207TIP3    H224931   3.592  -2.190  -2.268
 6208TIP3   OH224932   4.063  -2.211  -2.082
 6208TIP3    H124933   4.062  -2.272  -2.007
 6208TIP3    H224934   4.061  -2.125  -2.035
 6209TIP3   OH224935   4.271  -0.621  -2.279
 6209TIP3    H124936   4.364  -0.621  -2.249
 6209TIP3    H224937   4.264  -0.706  -2.325
 6210TIP3   OH224938   3.459  -2.328  -0.806
 6210TIP3    H124939   3.419  -2.414  -0.781
 6210TIP3    H224940   3.553  -2.346  -0.792
 6211TIP3   OH224941   3.704  -2.392  -0.635
 6211TIP3    H124942   3.783  -2.430  -0.679
 6211TIP3    H224943   3.661  -2.472  -0.601
 6212TIP3   OH224944   3.522  -0.718  -2.386
 6212TIP3    H124945   3.500  -0.691  -2.295
 6212TIP3    H224946   3.600  -0.774  -2.372
 6213TIP3   OH224947  -3.161   0.403  -1.739
 6213TIP3    H124948  -3.158   0.499  -1.729
 6213TIP3    H224949  -3.235   0.390  -1.799
 6214TIP3   OH224950  -3.281   0.349  -1.433
 6214TIP3    H124951  -3.278   0.291  -1.356
 6214TIP3    H224952  -3.303   0.287  -1.504
 6215TIP3   OH224953  -4.028   0.308  -1.270
 6215TIP3    H124954  -4.033   0.234  -1.207
 6215TIP3    H224955  -3.959   0.362  -1.230
 6216TIP3   OH224956  -2.910   0.614  -1.612
 6216TIP3    H124957  -2.945   0.542  -1.559
 6216TIP3    H224958  -2.883   0.677  -1.543
 6217TIP3   OH224959  -3.960   0.770  -1.421
 6217TIP3    H124960  -3.988   0.679  -1.446
 6217TIP3    H224961  -3.867   0.754  -1.398
 6218TIP3   OH224962  -4.221   0.146  -2.014
 6218TIP3    H124963  -4.253   0.219  -1.960
 6218TIP3    H224964  -4.288   0.078  -1.994
 6219TIP3   OH224965  -4.206   0.344  -1.715
 6219TIP3    H124966  -4.187   0.282  -1.642
 6219TIP3    H224967  -4.120   0.386  -1.729
 6220TIP3   OH224968  -3.198   1.161  -1.545
 6220TIP3    H124969  -3.143   1.088  -1.578
 6220TIP3    H224970  -3.229   1.125  -1.461
 6221TIP3   OH224971  -3.425   0.601  -1.378
 6221TIP3    H124972  -3.394   0.526  -1.433
 6221TIP3    H224973  -3.344   0.616  -1.327
 6222TIP3   OH224974  -3.095   0.034  -1.328
 6222TIP3    H124975  -3.084  -0.062  -1.319
 6222TIP3    H224976  -3.105   0.044  -1.424
 6223TIP3   OH224977  -3.800  -0.167  -1.619
 6223TIP3    H124978  -3.786  -0.082  -1.666
 6223TIP3    H224979  -3.833  -0.222  -1.693
 6224TIP3   OH224980  -3.015  -0.149  -1.788
 6224TIP3    H124981  -2.955  -0.190  -1.722
 6224TIP3    H224982  -2.952  -0.099  -1.842
 6225TIP3   OH224983  -4.138   0.108  -1.567
 6225TIP3    H124984  -4.080   0.067  -1.501
 6225TIP3    H224985  -4.118   0.052  -1.645
 6226TIP3   OH224986  -3.593   0.246  -1.622
 6226TIP3    H124987  -3.522   0.191  -1.584
 6226TIP3    H224988  -3.643   0.178  -1.672
 6227TIP3   OH224989  -3.918  -0.283  -1.201
 6227TIP3    H124990  -3.965  -0.244  -1.276
 6227TIP3    H224991  -3.981  -0.266  -1.129
 6228TIP3   OH224992  -3.166   0.694  -1.866
 6228TIP3    H124993  -3.206   0.662  -1.947
 6228TIP3    H224994  -3.217   0.775  -1.847
 6229TIP3   OH224995  -3.625   0.501  -1.191
 6229TIP3    H124996  -3.699   0.561  -1.165
 6229TIP3    H224997  -3.563   0.563  -1.234
 6230TIP3   OH224998  -2.825  -0.215  -1.572
 6230TIP3    H124999  -2.874  -0.270  -1.509
 6230TIP3    H225000  -2.775  -0.155  -1.514
 6231TIP3   OH225001  -3.958  -0.077  -1.413
 6231TIP3    H125002  -3.892  -0.023  -1.365
 6231TIP3    H225003  -3.901  -0.117  -1.482
 6232TIP3   OH225004  -3.828   0.687  -1.120
 6232TIP3    H125005  -3.830   0.781  -1.148
 6232TIP3    H225006  -3.915   0.680  -1.077
 6233TIP3   OH225007  -4.182   0.654  -2.029
 6233TIP3    H125008  -4.265   0.670  -2.079
 6233TIP3    H225009  -4.192   0.712  -1.951
 6234TIP3   OH225010  -2.857   0.799  -1.392
 6234TIP3    H125011  -2.952   0.816  -1.378
 6234TIP3    H225012  -2.825   0.890  -1.408
 6235TIP3   OH225013  -2.790  -0.293  -1.215
 6235TIP3    H125014  -2.877  -0.270  -1.250
 6235TIP3    H225015  -2.731  -0.276  -1.290
 6236TIP3   OH225016  -3.503  -0.539  -1.492
 6236TIP3    H125017  -3.528  -0.633  -1.500
 6236TIP3    H225018  -3.587  -0.500  -1.457
 6237TIP3   OH225019  -3.022   0.998  -1.695
 6237TIP3    H125020  -2.976   0.916  -1.724
 6237TIP3    H225021  -2.954   1.065  -1.708
 6238TIP3   OH225022  -2.876   0.787  -1.834
 6238TIP3    H125023  -2.924   0.738  -1.903
 6238TIP3    H225024  -2.880   0.721  -1.762
 6239TIP3   OH225025  -2.773   0.678  -0.977
 6239TIP3    H125026  -2.738   0.606  -1.032
 6239TIP3    H225027  -2.716   0.752  -1.001
 6240TIP3   OH225028  -3.295   0.359  -2.015
 6240TIP3    H125029  -3.361   0.416  -2.059
 6240TIP3    H225030  -3.223   0.358  -2.080
 6241TIP3   OH225031  -3.260   0.173  -2.318
 6241TIP3    H125032  -3.188   0.202  -2.260
 6241TIP3    H225033  -3.217   0.105  -2.371
 6242TIP3   OH225034  -2.592   0.287  -1.251
 6242TIP3    H125035  -2.653   0.362  -1.237
 6242TIP3    H225036  -2.514   0.332  -1.288
 6243TIP3   OH225037  -2.947   0.356  -1.910
 6243TIP3    H125038  -3.011   0.374  -1.838
 6243TIP3    H225039  -2.878   0.305  -1.861
 6244TIP3   OH225040  -2.954   0.204  -1.026
 6244TIP3    H125041  -2.957   0.280  -0.966
 6244TIP3    H225042  -3.014   0.236  -1.095
 6245TIP3   OH225043  -3.781   0.435  -1.732
 6245TIP3    H125044  -3.815   0.389  -1.812
 6245TIP3    H225045  -3.719   0.370  -1.696
 6246TIP3   OH225046  -3.645   0.776  -1.457
 6246TIP3    H125047  -3.658   0.734  -1.543
 6246TIP3    H225048  -3.567   0.728  -1.424
 6247TIP3   OH225049  -3.729   0.319  -1.384
 6247TIP3    H125050  -3.669   0.318  -1.461
 6247TIP3    H225051  -3.686   0.382  -1.323
 6248TIP3   OH225052  -3.138   0.871  -1.322
 6248TIP3    H125053  -3.127   0.932  -1.248
 6248TIP3    H225054  -3.155   0.785  -1.278
 6249TIP3   OH225055  -3.640   0.749  -0.900
 6249TIP3    H125056  -3.693   0.810  -0.846
 6249TIP3    H225057  -3.706   0.720  -0.966
 6250TIP3   OH225058  -3.050   0.303  -2.163
 6250TIP3    H125059  -3.001   0.325  -2.080
 6250TIP3    H225060  -2.997   0.354  -2.230
 6251TIP3   OH225061  -3.956   0.384  -0.983
 6251TIP3    H125062  -3.948   0.443  -0.906
 6251TIP3    H225063  -4.053   0.377  -0.991
 6252TIP3   OH225064  -3.302   0.963  -1.808
 6252TIP3    H125065  -3.256   0.988  -1.727
 6252TIP3    H225066  -3.354   1.042  -1.830
 6253TIP3   OH225067  -3.836   0.969  -0.814
 6253TIP3    H125068  -3.842   0.966  -0.911
 6253TIP3    H225069  -3.926   0.945  -0.785
 6254TIP3   OH225070  -2.701  -0.530  -2.210
 6254TIP3    H125071  -2.790  -0.518  -2.174
 6254TIP3    H225072  -2.673  -0.437  -2.223
 6255TIP3   OH225073  -3.892   0.308  -1.977
 6255TIP3    H125074  -3.917   0.383  -2.033
 6255TIP3    H225075  -3.959   0.242  -2.002
 6256TIP3   OH225076  -2.567   0.889  -2.360
 6256TIP3    H125077  -2.551   0.982  -2.334
 6256TIP3    H225078  -2.480   0.848  -2.342
 6257TIP3   OH225079  -4.272   0.591  -1.125
 6257TIP3    H125080  -4.287   0.555  -1.214
 6257TIP3    H225081  -4.303   0.517  -1.070
 6258TIP3   OH225082  -4.280   0.874  -1.429
 6258TIP3    H125083  -4.199   0.826  -1.410
 6258TIP3    H225084  -4.299   0.917  -1.345
 6259TIP3   OH225085  -3.378   0.852  -0.956
 6259TIP3    H125086  -3.371   0.933  -0.902
 6259TIP3    H225087  -3.468   0.821  -0.931
 6260TIP3   OH225088  -3.353   1.235  -1.956
 6260TIP3    H125089  -3.349   1.242  -2.053
 6260TIP3    H225090  -3.342   1.327  -1.927
 6261TIP3   OH225091  -3.978   1.147  -1.792
 6261TIP3    H125092  -3.953   1.105  -1.707
 6261TIP3    H225093  -4.056   1.092  -1.814
 6262TIP3   OH225094  -3.020   1.175  -2.241
 6262TIP3    H125095  -2.961   1.110  -2.284
 6262TIP3    H225096  -3.025   1.139  -2.150
 6263TIP3   OH225097  -3.080   1.119  -1.958
 6263TIP3    H125098  -3.176   1.128  -1.943
 6263TIP3    H225099  -3.061   1.046  -1.898
 6264TIP3   OH225100  -2.765   0.071  -0.772
 6264TIP3    H125101  -2.791   0.105  -0.858
 6264TIP3    H225102  -2.723  -0.013  -0.797
 6265TIP3   OH225103  -4.071   0.730  -0.977
 6265TIP3    H125104  -4.042   0.674  -0.902
 6265TIP3    H225105  -4.146   0.679  -1.015
 6266TIP3   OH225106  -3.747  -0.423  -1.403
 6266TIP3    H125107  -3.829  -0.432  -1.455
 6266TIP3    H225108  -3.772  -0.350  -1.345
 6267TIP3   OH225109  -3.311  -0.464  -1.040
 6267TIP3    H125110  -3.259  -0.516  -0.975
 6267TIP3    H225111  -3.401  -0.498  -1.027
 6268TIP3   OH225112  -2.978  -0.091  -0.986
 6268TIP3    H125113  -3.035  -0.109  -0.909
 6268TIP3    H225114  -2.988   0.005  -0.999
 6269TIP3   OH225115  -2.891   0.419  -2.355
 6269TIP3    H125116  -2.914   0.395  -2.448
 6269TIP3    H225117  -2.795   0.429  -2.364
 6270TIP3   OH225118  -3.342  -0.208  -2.312
 6270TIP3    H125119  -3.381  -0.234  -2.226
 6270TIP3    H225120  -3.372  -0.282  -2.368
 6271TIP3   OH225121  -3.761   0.056  -1.264
 6271TIP3    H125122  -3.818   0.067  -1.186
 6271TIP3    H225123  -3.756   0.148  -1.298
 6272TIP3   OH225124  -3.770   0.063  -1.775
 6272TIP3    H125125  -3.866   0.054  -1.793
 6272TIP3    H225126  -3.734   0.044  -1.864
 6273TIP3   OH225127  -3.208   0.120  -1.895
 6273TIP3    H125128  -3.248   0.202  -1.931
 6273TIP3    H225129  -3.136   0.105  -1.959
 6274TIP3   OH225130  -3.287   0.140  -0.760
 6274TIP3    H125131  -3.338   0.064  -0.726
 6274TIP3    H225132  -3.199   0.124  -0.721
 6275TIP3   OH225133  -3.119   0.060  -1.617
 6275TIP3    H125134  -3.148   0.119  -1.690
 6275TIP3    H225135  -3.099  -0.021  -1.670
 6276TIP3   OH225136  -4.028   0.074  -1.078
 6276TIP3    H125137  -3.995   0.108  -0.994
 6276TIP3    H225138  -4.052  -0.016  -1.054
 6277TIP3   OH225139  -3.692  -0.155  -2.415
 6277TIP3    H125140  -3.724  -0.202  -2.335
 6277TIP3    H225141  -3.766  -0.166  -2.476
 6278TIP3   OH225142  -4.313  -0.163  -1.717
 6278TIP3    H125143  -4.307  -0.200  -1.627
 6278TIP3    H225144  -4.288  -0.237  -1.773
 6279TIP3   OH225145  -4.205  -0.122  -2.132
 6279TIP3    H125146  -4.146  -0.102  -2.206
 6279TIP3    H225147  -4.290  -0.086  -2.158
 6280TIP3   OH225148  -3.209   0.228  -1.171
 6280TIP3    H125149  -3.165   0.155  -1.221
 6280TIP3    H225150  -3.242   0.180  -1.094
 6281TIP3   OH225151  -3.490  -0.177  -1.671
 6281TIP3    H125152  -3.584  -0.184  -1.650
 6281TIP3    H225153  -3.449  -0.197  -1.585
 6282TIP3   OH225154  -4.038  -0.049  -1.813
 6282TIP3    H125155  -4.120  -0.048  -1.864
 6282TIP3    H225156  -4.001  -0.135  -1.841
 6283TIP3   OH225157  -3.671  -0.018  -2.033
 6283TIP3    H125158  -3.574  -0.017  -2.028
 6283TIP3    H225159  -3.691   0.042  -2.107
 6284TIP3   OH225160  -3.044  -0.269  -1.365
 6284TIP3    H125161  -3.106  -0.265  -1.290
 6284TIP3    H225162  -3.103  -0.302  -1.434
 6285TIP3   OH225163  -3.829   0.112  -2.262
 6285TIP3    H125164  -3.880   0.066  -2.331
 6285TIP3    H225165  -3.743   0.124  -2.306
 6286TIP3   OH225166  -2.738   1.308  -0.716
 6286TIP3    H125167  -2.709   1.343  -0.802
 6286TIP3    H225168  -2.674   1.346  -0.655
 6287TIP3   OH225169  -3.956   0.578  -0.764
 6287TIP3    H125170  -3.890   0.579  -0.691
 6287TIP3    H225171  -4.037   0.589  -0.710
 6288TIP3   OH225172  -3.389   0.076  -1.489
 6288TIP3    H125173  -3.316   0.033  -1.536
 6288TIP3    H225174  -3.405   0.015  -1.415
 6289TIP3   OH225175  -3.873  -0.290  -1.862
 6289TIP3    H125176  -3.924  -0.372  -1.870
 6289TIP3    H225177  -3.793  -0.312  -1.912
 6290TIP3   OH225178  -3.490  -0.078  -1.265
 6290TIP3    H125179  -3.568  -0.020  -1.264
 6290TIP3    H225180  -3.442  -0.052  -1.183
 6291TIP3   OH225181  -3.482   0.566  -2.077
 6291TIP3    H125182  -3.556   0.511  -2.110
 6291TIP3    H225183  -3.497   0.567  -1.979
 6292TIP3   OH225184  -2.780   0.497  -1.206
 6292TIP3    H125185  -2.722   0.551  -1.263
 6292TIP3    H225186  -2.856   0.480  -1.264
 6293TIP3   OH225187  -3.072  -0.147  -2.293
 6293TIP3    H125188  -3.169  -0.143  -2.302
 6293TIP3    H225189  -3.049  -0.070  -2.238
 6294TIP3   OH225190  -3.313   0.564  -0.944
 6294TIP3    H125191  -3.344   0.530  -0.859
 6294TIP3    H225192  -3.346   0.655  -0.942
 6295TIP3   OH225193  -2.990   0.030  -2.084
 6295TIP3    H125194  -2.900   0.011  -2.051
 6295TIP3    H225195  -2.977   0.112  -2.133
 6296TIP3   OH225196  -3.977   0.492  -1.505
 6296TIP3    H125197  -3.908   0.484  -1.574
 6296TIP3    H225198  -3.962   0.412  -1.452
 6297TIP3   OH225199  -3.239   0.700  -2.186
 6297TIP3    H125200  -3.263   0.783  -2.141
 6297TIP3    H225201  -3.310   0.641  -2.156
 6298TIP3   OH225202  -4.240   0.346  -0.939
 6298TIP3    H125203  -4.231   0.282  -0.867
 6298TIP3    H225204  -4.288   0.293  -1.007
 6299TIP3   OH225205  -3.540   0.279  -0.768
 6299TIP3    H125206  -3.575   0.253  -0.855
 6299TIP3    H225207  -3.447   0.251  -0.776
 6300TIP3   OH225208  -3.079   0.843  -0.999
 6300TIP3    H125209  -3.175   0.836  -1.006
 6300TIP3    H225210  -3.066   0.846  -0.903
 6301TIP3   OH225211  -2.708   0.891  -2.103
 6301TIP3    H125212  -2.747   0.814  -2.057
 6301TIP3    H225213  -2.663   0.849  -2.178
 6302TIP3   OH225214  -2.988   0.414  -1.385
 6302TIP3    H125215  -3.082   0.396  -1.403
 6302TIP3    H225216  -2.945   0.337  -1.426
 6303TIP3   OH225217  -3.727   0.829  -1.768
 6303TIP3    H125218  -3.685   0.916  -1.778
 6303TIP3    H225219  -3.819   0.848  -1.789
 6304TIP3   OH225220  -4.151   0.330  -2.302
 6304TIP3    H125221  -4.079   0.382  -2.261
 6304TIP3    H225222  -4.227   0.382  -2.275
 6305TIP3   OH225223  -3.542   0.600  -1.805
 6305TIP3    H125224  -3.576   0.690  -1.790
 6305TIP3    H225225  -3.611   0.546  -1.763
 6306TIP3   OH225226  -3.526   1.026  -1.169
 6306TIP3    H125227  -3.468   1.098  -1.197
 6306TIP3    H225228  -3.467   0.973  -1.114
 6307TIP3   OH225229  -3.681   1.120  -1.848
 6307TIP3    H125230  -3.777   1.132  -1.837
 6307TIP3    H225231  -3.647   1.207  -1.822
 6308TIP3   OH225232  -3.179   0.599  -1.211
 6308TIP3    H125233  -3.213   0.568  -1.125
 6308TIP3    H225234  -3.107   0.536  -1.228
 6309TIP3   OH225235  -2.968   0.737  -2.316
 6309TIP3    H125236  -2.924   0.682  -2.248
 6309TIP3    H225237  -3.060   0.716  -2.293
 6310TIP3   OH225238  -2.900   1.073  -0.931
 6310TIP3    H125239  -2.956   1.010  -0.979
 6310TIP3    H225240  -2.860   1.126  -1.001
 6311TIP3   OH225241  -2.493   1.156  -2.267
 6311TIP3    H125242  -2.425   1.222  -2.289
 6311TIP3    H225243  -2.571   1.213  -2.266
 6312TIP3   OH225244  -4.101  -0.198  -1.002
 6312TIP3    H125245  -4.187  -0.161  -1.027
 6312TIP3    H225246  -4.123  -0.284  -0.962
 6313TIP3   OH225247  -2.852   0.596  -2.076
 6313TIP3    H125248  -2.895   0.522  -2.032
 6313TIP3    H225249  -2.758   0.577  -2.055
 6314TIP3   OH225250  -4.128   0.972  -1.160
 6314TIP3    H125251  -4.109   0.877  -1.150
 6314TIP3    H225252  -4.096   1.004  -1.074
 6315TIP3   OH225253  -3.546   0.834  -2.465
 6315TIP3    H125254  -3.516   0.754  -2.512
 6315TIP3    H225255  -3.588   0.794  -2.386
 6316TIP3   OH225256  -3.664   0.786  -2.191
 6316TIP3    H125257  -3.612   0.730  -2.131
 6316TIP3    H225258  -3.647   0.876  -2.156
 6317TIP3   OH225259  -3.988   0.528  -2.159
 6317TIP3    H125260  -4.057   0.568  -2.102
 6317TIP3    H225261  -3.934   0.606  -2.177
 6318TIP3   OH225262  -3.203  -0.219  -1.146
 6318TIP3    H125263  -3.142  -0.198  -1.073
 6318TIP3    H225264  -3.257  -0.291  -1.108
 6319TIP3   OH225265  -3.145  -0.275  -2.032
 6319TIP3    H125266  -3.123  -0.223  -2.111
 6319TIP3    H225267  -3.099  -0.226  -1.962
 6320TIP3   OH225268  -3.364   0.953  -2.128
 6320TIP3    H125269  -3.448   0.999  -2.112
 6320TIP3    H225270  -3.331   0.996  -2.208
 6321TIP3   OH225271  -3.407  -0.079  -1.929
 6321TIP3    H125272  -3.330  -0.020  -1.916
 6321TIP3    H225273  -3.434  -0.096  -1.837
 6322TIP3   OH225274  -3.369   0.011  -1.014
 6322TIP3    H125275  -3.363   0.062  -0.932
 6322TIP3    H225276  -3.313  -0.066  -0.993
 6323TIP3   OH225277  -3.342  -0.377  -1.834
 6323TIP3    H125278  -3.365  -0.307  -1.770
 6323TIP3    H225279  -3.272  -0.334  -1.887
 6324TIP3   OH225280  -3.644   1.057  -2.129
 6324TIP3    H125281  -3.652   1.140  -2.181
 6324TIP3    H225282  -3.658   1.089  -2.038
 6325TIP3   OH225283  -3.771  -0.275  -2.177
 6325TIP3    H125284  -3.763  -0.198  -2.119
 6325TIP3    H225285  -3.693  -0.327  -2.152
 6326TIP3   OH225286  -2.705  -0.225  -0.917
 6326TIP3    H125287  -2.799  -0.202  -0.925
 6326TIP3    H225288  -2.676  -0.214  -1.008
 6327TIP3   OH225289  -2.877   0.183  -1.519
 6327TIP3    H125290  -2.957   0.140  -1.552
 6327TIP3    H225291  -2.828   0.109  -1.479
 6328TIP3   OH225292  -3.929   0.821  -2.281
 6328TIP3    H125293  -3.851   0.856  -2.234
 6328TIP3    H225294  -3.886   0.757  -2.339
 6329TIP3   OH225295  -4.110   0.038  -2.392
 6329TIP3    H125296  -4.103   0.116  -2.336
 6329TIP3    H225297  -4.200   0.006  -2.381
 6330TIP3   OH225298  -2.782   1.085  -1.401
 6330TIP3    H125299  -2.790   1.177  -1.434
 6330TIP3    H225300  -2.701   1.087  -1.349
 6331TIP3   OH225301  -4.026  -0.476  -1.484
 6331TIP3    H125302  -4.056  -0.478  -1.576
 6331TIP3    H225303  -4.069  -0.556  -1.447
 6332TIP3   OH225304  -4.135   0.894  -1.858
 6332TIP3    H125305  -4.227   0.923  -1.852
 6332TIP3    H225306  -4.106   0.931  -1.942
 6333TIP3   OH225307  -4.214   1.168  -0.739
 6333TIP3    H125308  -4.152   1.169  -0.664
 6333TIP3    H225309  -4.214   1.071  -0.753
 6334TIP3   OH225310  -3.715   1.089  -0.568
 6334TIP3    H125311  -3.661   1.014  -0.537
 6334TIP3    H225312  -3.747   1.054  -0.653
 6335TIP3   OH225313  -3.324   1.005  -2.414
 6335TIP3    H125314  -3.399   0.942  -2.422
 6335TIP3    H225315  -3.252   0.949  -2.447
 6336TIP3   OH225316  -3.094   0.913  -0.700
 6336TIP3    H125317  -3.123   0.826  -0.667
 6336TIP3    H225318  -3.008   0.925  -0.656
 6337TIP3   OH225319  -2.858   0.997  -2.402
 6337TIP3    H125320  -2.851   0.913  -2.353
 6337TIP3    H225321  -2.777   0.995  -2.457
 6338TIP3   OH225322  -4.201   0.577  -0.674
 6338TIP3    H125323  -4.185   0.484  -0.696
 6338TIP3    H225324  -4.290   0.592  -0.708
 6339TIP3   OH225325  -3.781   0.576  -2.430
 6339TIP3    H125326  -3.764   0.517  -2.355
 6339TIP3    H225327  -3.694   0.572  -2.476
 6340TIP3   OH225328  -3.528   0.556  -0.700
 6340TIP3    H125329  -3.570   0.587  -0.782
 6340TIP3    H225330  -3.530   0.459  -0.711
 6341TIP3   OH225331  -3.258   0.712  -2.468
 6341TIP3    H125332  -3.260   0.706  -2.370
 6341TIP3    H225333  -3.259   0.616  -2.490
 6342TIP3   OH225334  -3.002   0.519  -0.953
 6342TIP3    H125335  -2.928   0.578  -0.979
 6342TIP3    H225336  -3.076   0.582  -0.953
 6343TIP3   OH225337  -4.136   0.243  -0.695
 6343TIP3    H125338  -4.056   0.189  -0.709
 6343TIP3    H225339  -4.120   0.276  -0.605
 6344TIP3   OH225340  -3.674   0.389  -2.197
 6344TIP3    H125341  -3.733   0.336  -2.141
 6344TIP3    H225342  -3.641   0.321  -2.259
 6345TIP3   OH225343  -3.751   0.162  -0.972
 6345TIP3    H125344  -3.803   0.242  -0.950
 6345TIP3    H225345  -3.684   0.199  -1.033
 6346TIP3   OH225346  -3.570   0.192  -2.367
 6346TIP3    H125347  -3.575   0.191  -2.464
 6346TIP3    H225348  -3.474   0.182  -2.353
 6347TIP3   OH225349  -3.214   0.434  -0.615
 6347TIP3    H125350  -3.125   0.415  -0.644
 6347TIP3    H225351  -3.242   0.349  -0.579
 6348TIP3   OH225352  -2.618   0.442  -2.438
 6348TIP3    H125353  -2.636   0.385  -2.514
 6348TIP3    H225354  -2.638   0.531  -2.472
 6349TIP3   OH225355  -3.692  -0.109  -0.856
 6349TIP3    H125356  -3.683  -0.174  -0.928
 6349TIP3    H225357  -3.711  -0.027  -0.906
 6350TIP3   OH225358  -3.657  -0.261  -1.110
 6350TIP3    H125359  -3.605  -0.209  -1.175
 6350TIP3    H225360  -3.747  -0.258  -1.147
 6351TIP3   OH225361  -3.501   0.283  -1.072
 6351TIP3    H125362  -3.417   0.275  -1.119
 6351TIP3    H225363  -3.532   0.371  -1.102
 6352TIP3   OH225364  -3.039   0.079  -0.596
 6352TIP3    H125365  -3.020  -0.015  -0.581
 6352TIP3    H225366  -2.948   0.112  -0.610
 6353TIP3   OH225367  -2.915   0.362  -0.749
 6353TIP3    H125368  -2.954   0.422  -0.817
 6353TIP3    H225369  -2.830   0.341  -0.788
 6354TIP3   OH225370  -3.882   0.083  -0.683
 6354TIP3    H125371  -3.931  -0.001  -0.679
 6354TIP3    H225372  -3.797   0.054  -0.720
 6355TIP3   OH225373  -3.586  -0.529  -1.076
 6355TIP3    H125374  -3.602  -0.433  -1.093
 6355TIP3    H225375  -3.656  -0.570  -1.130
 6356TIP3   OH225376  -3.457  -0.072  -0.697
 6356TIP3    H125377  -3.492  -0.092  -0.609
 6356TIP3    H225378  -3.537  -0.091  -0.751
 6357TIP3   OH225379  -3.203  -0.168  -0.812
 6357TIP3    H125380  -3.290  -0.163  -0.770
 6357TIP3    H225381  -3.155  -0.228  -0.751
 6358TIP3   OH225382  -3.016  -0.313  -0.638
 6358TIP3    H125383  -3.028  -0.408  -0.622
 6358TIP3    H225384  -3.031  -0.273  -0.550
 6359TIP3   OH225385  -4.016  -0.174  -0.694
 6359TIP3    H125386  -4.015  -0.247  -0.758
 6359TIP3    H225387  -4.032  -0.220  -0.610
 6360TIP3   OH225388  -3.603  -0.579  -0.795
 6360TIP3    H125389  -3.541  -0.654  -0.790
 6360TIP3    H225390  -3.605  -0.563  -0.891
 6361TIP3   OH225391  -3.508  -0.395  -0.606
 6361TIP3    H125392  -3.539  -0.452  -0.679
 6361TIP3    H225393  -3.574  -0.325  -0.604
 6362TIP3   OH225394  -3.600   1.315  -2.259
 6362TIP3    H125395  -3.504   1.322  -2.248
 6362TIP3    H225396  -3.611   1.355  -2.346
 6363TIP3   OH225397  -4.197   0.804  -2.358
 6363TIP3    H125398  -4.125   0.798  -2.292
 6363TIP3    H225399  -4.220   0.711  -2.371
 6364TIP3   OH225400  -4.273   1.080  -1.639
 6364TIP3    H125401  -4.275   0.991  -1.600
 6364TIP3    H225402  -4.243   1.130  -1.562
 6365TIP3   OH225403  -2.450   1.197  -1.371
 6365TIP3    H125404  -2.496   1.194  -1.287
 6365TIP3    H225405  -2.406   1.283  -1.364
 6366TIP3   OH225406  -2.731   0.724  -0.603
 6366TIP3    H125407  -2.805   0.702  -0.543
 6366TIP3    H225408  -2.658   0.751  -0.547
 6367TIP3   OH225409  -2.581   0.539  -2.004
 6367TIP3    H125410  -2.491   0.573  -1.989
 6367TIP3    H225411  -2.587   0.464  -1.943
 6368TIP3   OH225412  -2.562   0.615  -1.341
 6368TIP3    H125413  -2.486   0.566  -1.377
 6368TIP3    H225414  -2.551   0.703  -1.378
 6369TIP3   OH225415  -2.750   0.909  -1.148
 6369TIP3    H125416  -2.812   0.913  -1.074
 6369TIP3    H225417  -2.794   0.848  -1.209
 6370TIP3   OH225418  -2.535   0.307  -2.179
 6370TIP3    H125419  -2.571   0.333  -2.265
 6370TIP3    H225420  -2.526   0.391  -2.133
 6371TIP3   OH225421  -2.609   0.039  -2.335
 6371TIP3    H125422  -2.647   0.114  -2.382
 6371TIP3    H225423  -2.670  -0.031  -2.363
 6372TIP3   OH225424  -2.741   0.218  -1.782
 6372TIP3    H125425  -2.714   0.126  -1.795
 6372TIP3    H225426  -2.754   0.223  -1.686
 6373TIP3   OH225427  -4.254   0.438  -1.365
 6373TIP3    H125428  -4.224   0.456  -1.455
 6373TIP3    H225429  -4.175   0.395  -1.327
 6374TIP3   OH225430  -2.747  -0.053  -1.943
 6374TIP3    H125431  -2.725  -0.149  -1.952
 6374TIP3    H225432  -2.675  -0.013  -1.992
 6375TIP3   OH225433  -2.697  -0.018  -1.402
 6375TIP3    H125434  -2.610   0.024  -1.411
 6375TIP3    H225435  -2.711  -0.011  -1.306
 6376TIP3   OH225436  -2.685   0.060  -1.098
 6376TIP3    H125437  -2.780   0.075  -1.086
 6376TIP3    H225438  -2.656   0.141  -1.145
 6377TIP3   OH225439  -4.285  -0.069  -0.760
 6377TIP3    H125440  -4.195  -0.107  -0.759
 6377TIP3    H225441  -4.342  -0.146  -0.742
 6378TIP3   OH225442  -2.701  -0.322  -1.973
 6378TIP3    H125443  -2.679  -0.366  -1.889
 6378TIP3    H225444  -2.776  -0.376  -2.003
 6379TIP3   OH225445  -4.196  -0.215  -1.437
 6379TIP3    H125446  -4.162  -0.305  -1.448
 6379TIP3    H225447  -4.114  -0.163  -1.427
 6380TIP3   OH225448  -4.331   0.048  -1.357
 6380TIP3    H125449  -4.296  -0.009  -1.427
 6380TIP3    H225450  -4.307   0.135  -1.389
 6381TIP3   OH225451  -2.534  -0.288  -2.293
 6381TIP3    H125452  -2.496  -0.366  -2.335
 6381TIP3    H225453  -2.457  -0.239  -2.263
 6382TIP3   OH225454  -4.323  -0.326  -1.985
 6382TIP3    H125455  -4.396  -0.309  -2.045
 6382TIP3    H225456  -4.247  -0.305  -2.042
 6383TIP3   OH225457  -2.829   1.213  -1.757
 6383TIP3    H125458  -2.781   1.178  -1.834
 6383TIP3    H225459  -2.756   1.237  -1.698
 6384TIP3   OH225460  -4.291  -0.443  -1.170
 6384TIP3    H125461  -4.360  -0.452  -1.100
 6384TIP3    H225462  -4.335  -0.397  -1.243
 6385TIP3   OH225463  -4.121   0.913  -0.706
 6385TIP3    H125464  -4.165   0.843  -0.757
 6385TIP3    H225465  -4.128   0.876  -0.615
 6386TIP3   OH225466  -3.802   0.973  -1.113
 6386TIP3    H125467  -3.833   1.058  -1.151
 6386TIP3    H225468  -3.706   0.982  -1.130
 6387TIP3   OH225469  -3.354   1.110  -0.812
 6387TIP3    H125470  -3.338   1.083  -0.721
 6387TIP3    H225471  -3.267   1.147  -0.838
 6388TIP3   OH225472  -3.118   1.248  -0.884
 6388TIP3    H125473  -3.047   1.184  -0.906
 6388TIP3    H225474  -3.085   1.282  -0.799
 6389TIP3   OH225475  -4.068   1.283  -1.089
 6389TIP3    H125476  -4.140   1.328  -1.137
 6389TIP3    H225477  -4.102   1.283  -0.999
 6390TIP3   OH225478  -3.817   1.248  -1.223
 6390TIP3    H125479  -3.905   1.264  -1.182
 6390TIP3    H225480  -3.816   1.314  -1.295
 6391TIP3   OH225481  -3.339   1.245  -1.269
 6391TIP3    H125482  -3.378   1.289  -1.346
 6391TIP3    H225483  -3.332   1.318  -1.205
 6392TIP3   OH225484  -3.100   1.118  -1.179
 6392TIP3    H125485  -3.187   1.150  -1.209
 6392TIP3    H225486  -3.052   1.201  -1.168
 6393TIP3   OH225487  -2.835   1.292  -1.146
 6393TIP3    H125488  -2.852   1.384  -1.173
 6393TIP3    H225489  -2.833   1.247  -1.231
 6394TIP3   OH225490  -4.123   1.156  -1.390
 6394TIP3    H125491  -4.134   1.109  -1.305
 6394TIP3    H225492  -4.050   1.106  -1.429
 6395TIP3   OH225493  -3.909   1.028  -1.541
 6395TIP3    H125494  -3.927   0.935  -1.514
 6395TIP3    H225495  -3.819   1.041  -1.506
 6396TIP3   OH225496  -3.629   1.070  -1.454
 6396TIP3    H125497  -3.612   0.977  -1.476
 6396TIP3    H225498  -3.623   1.066  -1.357
 6397TIP3   OH225499  -3.296  -0.341  -1.521
 6397TIP3    H125500  -3.365  -0.408  -1.507
 6397TIP3    H225501  -3.236  -0.385  -1.583
 6398TIP3   OH225502  -2.800  -0.541  -1.470
 6398TIP3    H125503  -2.734  -0.495  -1.523
 6398TIP3    H225504  -2.882  -0.517  -1.516
 6399TIP3   OH225505  -2.630  -0.440  -1.699
 6399TIP3    H125506  -2.552  -0.486  -1.733
 6399TIP3    H225507  -2.594  -0.356  -1.667
 6400TIP3   OH225508  -4.111  -0.485  -1.762
 6400TIP3    H125509  -4.168  -0.498  -1.840
 6400TIP3    H225510  -4.043  -0.551  -1.780
 6401TIP3   OH225511  -3.613  -0.483  -1.780
 6401TIP3    H125512  -3.520  -0.458  -1.791
 6401TIP3    H225513  -3.618  -0.498  -1.685
 6402TIP3   OH225514  -3.052  -0.484  -1.637
 6402TIP3    H125515  -3.030  -0.495  -1.730
 6402TIP3    H225516  -3.095  -0.569  -1.616
 6403TIP3   OH225517  -2.941  -0.481  -2.039
 6403TIP3    H125518  -3.023  -0.430  -2.056
 6403TIP3    H225519  -2.977  -0.571  -2.027
 6404TIP3   OH225520  -4.186   1.079  -2.086
 6404TIP3    H125521  -4.252   1.061  -2.154
 6404TIP3    H225522  -4.183   1.175  -2.085
 6405TIP3   OH225523  -4.002  -0.321  -2.347
 6405TIP3    H125524  -3.965  -0.406  -2.375
 6405TIP3    H225525  -3.965  -0.317  -2.257
 6406TIP3   OH225526  -3.496  -0.319  -2.075
 6406TIP3    H125527  -3.466  -0.378  -2.004
 6406TIP3    H225528  -3.476  -0.233  -2.034
 6407TIP3   OH225529  -3.294   1.260  -2.255
 6407TIP3    H125530  -3.197   1.258  -2.256
 6407TIP3    H225531  -3.314   1.191  -2.320
 6408TIP3   OH225532  -2.640   1.161  -1.992
 6408TIP3    H125533  -2.664   1.075  -2.033
 6408TIP3    H225534  -2.648   1.221  -2.067
 6409TIP3   OH225535  -4.079  -0.444  -0.817
 6409TIP3    H125536  -4.124  -0.520  -0.776
 6409TIP3    H225537  -3.988  -0.459  -0.788
 6410TIP3   OH225538  -3.846  -0.507  -0.643
 6410TIP3    H125539  -3.762  -0.539  -0.681
 6410TIP3    H225540  -3.876  -0.586  -0.597
 6411TIP3   OH225541  -4.011   1.179  -2.386
 6411TIP3    H125542  -4.043   1.194  -2.296
 6411TIP3    H225543  -3.943   1.111  -2.372
 6412TIP3   OH225544  -3.019  -0.594  -0.626
 6412TIP3    H125545  -3.016  -0.634  -0.537
 6412TIP3    H225546  -2.925  -0.597  -0.652
 6413TIP3   OH225547  -1.333   1.161  -1.562
 6413TIP3    H125548  -1.263   1.097  -1.586
 6413TIP3    H225549  -1.356   1.138  -1.470
 6414TIP3   OH225550  -1.114  -0.143  -1.792
 6414TIP3    H125551  -1.070  -0.172  -1.710
 6414TIP3    H225552  -1.056  -0.073  -1.824
 6415TIP3   OH225553  -2.319   0.653  -2.030
 6415TIP3    H125554  -2.338   0.701  -2.113
 6415TIP3    H225555  -2.299   0.725  -1.967
 6416TIP3   OH225556  -1.134   0.997  -1.675
 6416TIP3    H125557  -1.089   0.915  -1.706
 6416TIP3    H225558  -1.068   1.064  -1.703
 6417TIP3   OH225559  -1.011   0.775  -1.828
 6417TIP3    H125560  -1.051   0.707  -1.883
 6417TIP3    H225561  -0.975   0.724  -1.753
 6418TIP3   OH225562  -1.379   0.186  -2.311
 6418TIP3    H125563  -1.321   0.216  -2.239
 6418TIP3    H225564  -1.321   0.126  -2.361
 6419TIP3   OH225565  -1.170   0.305  -2.143
 6419TIP3    H125566  -1.109   0.302  -2.069
 6419TIP3    H225567  -1.120   0.356  -2.211
 6420TIP3   OH225568  -1.391   0.987  -1.826
 6420TIP3    H125569  -1.361   0.984  -1.735
 6420TIP3    H225570  -1.471   1.041  -1.824
 6421TIP3   OH225571  -0.820  -0.526  -2.209
 6421TIP3    H125572  -0.905  -0.513  -2.163
 6421TIP3    H225573  -0.782  -0.437  -2.205
 6422TIP3   OH225574  -0.681   0.890  -2.357
 6422TIP3    H125575  -0.662   0.983  -2.333
 6422TIP3    H225576  -0.594   0.848  -2.342
 6423TIP3   OH225577  -2.372   0.887  -1.411
 6423TIP3    H125578  -2.315   0.819  -1.374
 6423TIP3    H225579  -2.411   0.928  -1.333
 6424TIP3   OH225580  -1.487   1.240  -1.963
 6424TIP3    H125581  -1.457   1.248  -2.053
 6424TIP3    H225582  -1.461   1.324  -1.922
 6425TIP3   OH225583  -2.078   1.140  -1.773
 6425TIP3    H125584  -2.074   1.091  -1.690
 6425TIP3    H225585  -2.161   1.106  -1.810
 6426TIP3   OH225586  -1.143   1.169  -2.244
 6426TIP3    H125587  -1.077   1.108  -2.284
 6426TIP3    H225588  -1.137   1.143  -2.150
 6427TIP3   OH225589  -1.191   1.127  -1.963
 6427TIP3    H125590  -1.284   1.121  -1.934
 6427TIP3    H225591  -1.159   1.049  -1.914
 6428TIP3   OH225592  -1.017   0.401  -2.351
 6428TIP3    H125593  -1.033   0.381  -2.445
 6428TIP3    H225594  -0.921   0.417  -2.352
 6429TIP3   OH225595  -1.441  -0.214  -2.309
 6429TIP3    H125596  -1.493  -0.227  -2.228
 6429TIP3    H225597  -1.480  -0.281  -2.367
 6430TIP3   OH225598  -1.802  -0.181  -2.417
 6430TIP3    H125599  -1.840  -0.214  -2.333
 6430TIP3    H225600  -1.881  -0.156  -2.467
 6431TIP3   OH225601  -2.332  -0.140  -2.134
 6431TIP3    H125602  -2.269  -0.095  -2.192
 6431TIP3    H225603  -2.406  -0.079  -2.132
 6432TIP3   OH225604  -1.932   0.086  -2.231
 6432TIP3    H125605  -1.990   0.068  -2.306
 6432TIP3    H225606  -1.850   0.111  -2.276
 6433TIP3   OH225607  -1.175  -0.151  -2.274
 6433TIP3    H125608  -1.273  -0.159  -2.284
 6433TIP3    H225609  -1.164  -0.074  -2.217
 6434TIP3   OH225610  -1.086   0.041  -2.043
 6434TIP3    H125611  -0.994   0.013  -2.051
 6434TIP3    H225612  -1.098   0.106  -2.113
 6435TIP3   OH225613  -1.370   0.686  -2.183
 6435TIP3    H125614  -1.389   0.761  -2.124
 6435TIP3    H225615  -1.415   0.613  -2.138
 6436TIP3   OH225616  -0.839   0.886  -2.106
 6436TIP3    H125617  -0.864   0.810  -2.052
 6436TIP3    H225618  -0.775   0.849  -2.168
 6437TIP3   OH225619  -2.244   0.327  -2.316
 6437TIP3    H125620  -2.181   0.362  -2.252
 6437TIP3    H225621  -2.327   0.329  -2.265
 6438TIP3   OH225622  -1.791   1.098  -1.849
 6438TIP3    H125623  -1.884   1.106  -1.826
 6438TIP3    H225624  -1.754   1.182  -1.818
 6439TIP3   OH225625  -1.084   0.725  -2.301
 6439TIP3    H125626  -1.038   0.675  -2.231
 6439TIP3    H225627  -1.176   0.700  -2.282
 6440TIP3   OH225628  -0.606   1.152  -2.263
 6440TIP3    H125629  -0.533   1.213  -2.283
 6440TIP3    H225630  -0.680   1.214  -2.269
 6441TIP3   OH225631  -0.950   0.572  -2.060
 6441TIP3    H125632  -0.996   0.504  -2.009
 6441TIP3    H225633  -0.862   0.570  -2.020
 6442TIP3   OH225634  -1.662   0.835  -2.465
 6442TIP3    H125635  -1.634   0.756  -2.515
 6442TIP3    H225636  -1.691   0.792  -2.382
 6443TIP3   OH225637  -1.751   0.777  -2.194
 6443TIP3    H125638  -1.703   0.731  -2.125
 6443TIP3    H225639  -1.740   0.871  -2.167
 6444TIP3   OH225640  -2.053   0.539  -2.106
 6444TIP3    H125641  -2.145   0.545  -2.078
 6444TIP3    H225642  -2.052   0.587  -2.189
 6445TIP3   OH225643  -1.266  -0.283  -1.998
 6445TIP3    H125644  -1.245  -0.226  -2.073
 6445TIP3    H225645  -1.228  -0.233  -1.923
 6446TIP3   OH225646  -1.490   0.945  -2.137
 6446TIP3    H125647  -1.566   1.003  -2.118
 6446TIP3    H225648  -1.433   0.999  -2.191
 6447TIP3   OH225649  -1.759   1.054  -2.130
 6447TIP3    H125650  -1.772   1.137  -2.180
 6447TIP3    H225651  -1.774   1.082  -2.037
 6448TIP3   OH225652  -1.892  -0.259  -2.164
 6448TIP3    H125653  -1.888  -0.174  -2.118
 6448TIP3    H225654  -1.817  -0.306  -2.124
 6449TIP3   OH225655  -2.039   0.804  -2.271
 6449TIP3    H125656  -1.969   0.860  -2.236
 6449TIP3    H225657  -1.988   0.748  -2.331
 6450TIP3   OH225658  -2.233   0.029  -2.361
 6450TIP3    H125659  -2.227   0.121  -2.331
 6450TIP3    H225660  -2.324   0.024  -2.393
 6451TIP3   OH225661  -2.247   0.886  -1.855
 6451TIP3    H125662  -2.331   0.929  -1.841
 6451TIP3    H225663  -2.212   0.935  -1.930
 6452TIP3   OH225664  -1.443   1.036  -2.453
 6452TIP3    H125665  -1.513   0.967  -2.443
 6452TIP3    H225666  -1.369   0.977  -2.480
 6453TIP3   OH225667  -0.975   0.993  -2.401
 6453TIP3    H125668  -0.960   0.914  -2.347
 6453TIP3    H225669  -0.894   0.994  -2.456
 6454TIP3   OH225670  -1.896   0.576  -2.417
 6454TIP3    H125671  -1.875   0.509  -2.349
 6454TIP3    H225672  -1.813   0.573  -2.469
 6455TIP3   OH225673  -1.374   0.715  -2.457
 6455TIP3    H125674  -1.380   0.706  -2.360
 6455TIP3    H225675  -1.377   0.621  -2.483
 6456TIP3   OH225676  -1.788   0.400  -2.188
 6456TIP3    H125677  -1.830   0.344  -2.121
 6456TIP3    H225678  -1.744   0.332  -2.243
 6457TIP3   OH225679  -1.686   0.197  -2.364
 6457TIP3    H125680  -1.693   0.196  -2.461
 6457TIP3    H225681  -1.589   0.189  -2.351
 6458TIP3   OH225682  -0.747   0.428  -2.410
 6458TIP3    H125683  -0.727   0.376  -2.489
 6458TIP3    H225684  -0.728   0.518  -2.439
 6459TIP3   OH225685  -1.569   0.335  -1.099
 6459TIP3    H125686  -1.486   0.305  -1.137
 6459TIP3    H225687  -1.635   0.304  -1.162
 6460TIP3   OH225688  -1.674  -0.516  -0.840
 6460TIP3    H125689  -1.693  -0.451  -0.910
 6460TIP3    H225690  -1.625  -0.582  -0.890
 6461TIP3   OH225691  -1.648  -0.426  -0.581
 6461TIP3    H125692  -1.641  -0.460  -0.672
 6461TIP3    H225693  -1.660  -0.332  -0.590
 6462TIP3   OH225694  -1.714   1.325  -2.280
 6462TIP3    H125695  -1.619   1.332  -2.266
 6462TIP3    H225696  -1.732   1.382  -2.355
 6463TIP3   OH225697  -2.321   0.752  -2.310
 6463TIP3    H125698  -2.226   0.766  -2.294
 6463TIP3    H225699  -2.322   0.673  -2.368
 6464TIP3   OH225700  -2.412   1.272  -1.829
 6464TIP3    H125701  -2.485   1.233  -1.882
 6464TIP3    H225702  -2.401   1.205  -1.759
 6465TIP3   OH225703  -2.362   1.087  -1.619
 6465TIP3    H125704  -2.389   0.995  -1.598
 6465TIP3    H225705  -2.384   1.128  -1.533
 6466TIP3   OH225706  -0.636   1.191  -1.351
 6466TIP3    H125707  -0.652   1.189  -1.256
 6466TIP3    H225708  -0.571   1.261  -1.360
 6467TIP3   OH225709  -0.794   0.075  -2.343
 6467TIP3    H125710  -0.761   0.129  -2.416
 6467TIP3    H225711  -0.804  -0.013  -2.384
 6468TIP3   OH225712  -2.338   0.425  -1.410
 6468TIP3    H125713  -2.324   0.371  -1.489
 6468TIP3    H225714  -2.274   0.383  -1.349
 6469TIP3   OH225715  -0.854  -0.189  -2.445
 6469TIP3    H125716  -0.790  -0.234  -2.385
 6469TIP3    H225717  -0.933  -0.245  -2.440
 6470TIP3   OH225718  -0.818  -0.313  -1.928
 6470TIP3    H125719  -0.817  -0.345  -1.837
 6470TIP3    H225720  -0.900  -0.351  -1.962
 6471TIP3   OH225721  -0.635  -0.291  -2.301
 6471TIP3    H125722  -0.594  -0.376  -2.322
 6471TIP3    H225723  -0.562  -0.244  -2.257
 6472TIP3   OH225724  -0.945   1.214  -1.757
 6472TIP3    H125725  -0.895   1.180  -1.834
 6472TIP3    H225726  -0.873   1.235  -1.696
 6473TIP3   OH225727  -1.449   1.246  -1.273
 6473TIP3    H125728  -1.499   1.301  -1.335
 6473TIP3    H225729  -1.443   1.299  -1.193
 6474TIP3   OH225730  -2.309  -0.507  -2.176
 6474TIP3    H125731  -2.250  -0.445  -2.222
 6474TIP3    H225732  -2.349  -0.448  -2.110
 6475TIP3   OH225733  -1.053  -0.477  -2.049
 6475TIP3    H125734  -1.135  -0.425  -2.045
 6475TIP3    H225735  -1.085  -0.564  -2.020
 6476TIP3   OH225736  -2.273   1.075  -2.065
 6476TIP3    H125737  -2.339   1.062  -2.135
 6476TIP3    H225738  -2.280   1.171  -2.053
 6477TIP3   OH225739  -2.116  -0.331  -2.325
 6477TIP3    H125740  -2.056  -0.389  -2.375
 6477TIP3    H225741  -2.058  -0.303  -2.251
 6478TIP3   OH225742  -1.604  -0.290  -2.066
 6478TIP3    H125743  -1.595  -0.363  -2.003
 6478TIP3    H225744  -1.606  -0.214  -2.008
 6479TIP3   OH225745  -1.405   1.263  -2.304
 6479TIP3    H125746  -1.314   1.256  -2.266
 6479TIP3    H225747  -1.425   1.169  -2.319
 6480TIP3   OH225748  -0.757   1.163  -1.991
 6480TIP3    H125749  -0.778   1.077  -2.033
 6480TIP3    H225750  -0.756   1.222  -2.068
 6481TIP3   OH225751  -2.127   1.178  -2.383
 6481TIP3    H125752  -2.161   1.197  -2.295
 6481TIP3    H225753  -2.060   1.111  -2.366
 6482TIP3   OH225754  -0.458   0.671  -2.024
 6482TIP3    H125755  -0.477   0.693  -2.116
 6482TIP3    H225756  -0.447   0.757  -1.983
 6483TIP3   OH225757   0.748   1.008  -1.700
 6483TIP3    H125758   0.796   0.929  -1.729
 6483TIP3    H225759   0.799   1.081  -1.737
 6484TIP3   OH225760   0.881   0.777  -1.842
 6484TIP3    H125761   0.823   0.716  -1.890
 6484TIP3    H225762   0.886   0.738  -1.753
 6485TIP3   OH225763   0.447   0.324  -2.026
 6485TIP3    H125764   0.410   0.412  -2.005
 6485TIP3    H225765   0.541   0.339  -2.021
 6486TIP3   OH225766   0.769   0.421  -1.924
 6486TIP3    H125767   0.700   0.412  -1.856
 6486TIP3    H225768   0.822   0.343  -1.907
 6487TIP3   OH225769   0.703   0.267  -2.207
 6487TIP3    H125770   0.716   0.296  -2.117
 6487TIP3    H225771   0.750   0.336  -2.259
 6488TIP3   OH225772   0.486   0.976  -1.824
 6488TIP3    H125773   0.520   0.968  -1.735
 6488TIP3    H225774   0.419   1.045  -1.820
 6489TIP3   OH225775   1.204   0.890  -2.358
 6489TIP3    H125776   1.225   0.983  -2.334
 6489TIP3    H225777   1.288   0.846  -2.338
 6490TIP3   OH225778   0.402   1.239  -1.958
 6490TIP3    H125779   0.422   1.239  -2.053
 6490TIP3    H225780   0.427   1.329  -1.930
 6491TIP3   OH225781   0.746   1.194  -2.285
 6491TIP3    H125782   0.802   1.122  -2.320
 6491TIP3    H225783   0.750   1.175  -2.190
 6492TIP3   OH225784   0.689   1.131  -1.979
 6492TIP3    H125785   0.594   1.130  -1.956
 6492TIP3    H225786   0.715   1.054  -1.927
 6493TIP3   OH225787   0.877   0.425  -2.359
 6493TIP3    H125788   0.861   0.394  -2.450
 6493TIP3    H225789   0.974   0.428  -2.356
 6494TIP3   OH225790  -0.440  -0.119  -2.149
 6494TIP3    H125791  -0.378  -0.070  -2.206
 6494TIP3    H225792  -0.497  -0.048  -2.116
 6495TIP3   OH225793   0.273   0.545  -2.057
 6495TIP3    H125794   0.203   0.479  -2.062
 6495TIP3    H225795   0.284   0.558  -1.961
 6496TIP3   OH225796   0.714  -0.162  -2.287
 6496TIP3    H125797   0.621  -0.173  -2.262
 6496TIP3    H225798   0.740  -0.091  -2.226
 6497TIP3   OH225799   0.822   0.032  -2.055
 6497TIP3    H125800   0.911   0.016  -2.085
 6497TIP3    H225801   0.784   0.093  -2.119
 6498TIP3   OH225802   0.534   0.698  -2.181
 6498TIP3    H125803   0.514   0.774  -2.124
 6498TIP3    H225804   0.477   0.631  -2.139
 6499TIP3   OH225805   1.061   0.891  -2.095
 6499TIP3    H125806   1.014   0.812  -2.061
 6499TIP3    H225807   1.106   0.855  -2.173
 6500TIP3   OH225808  -0.375   0.328  -2.312
 6500TIP3    H125809  -0.310   0.365  -2.250
 6500TIP3    H225810  -0.455   0.332  -2.255
 6501TIP3   OH225811   0.035   1.101  -1.824
 6501TIP3    H125812  -0.031   1.158  -1.863
 6501TIP3    H225813   0.105   1.165  -1.800
 6502TIP3   OH225814   0.801   0.737  -2.312
 6502TIP3    H125815   0.848   0.681  -2.248
 6502TIP3    H225816   0.709   0.717  -2.286
 6503TIP3   OH225817   1.291   1.147  -2.268
 6503TIP3    H125818   1.359   1.214  -2.289
 6503TIP3    H225819   1.213   1.206  -2.265
 6504TIP3   OH225820   0.966   0.600  -2.080
 6504TIP3    H125821   0.898   0.542  -2.044
 6504TIP3    H225822   1.045   0.571  -2.032
 6505TIP3   OH225823   0.225   0.831  -2.465
 6505TIP3    H125824   0.253   0.750  -2.512
 6505TIP3    H225825   0.189   0.793  -2.383
 6506TIP3   OH225826   0.119   0.784  -2.188
 6506TIP3    H125827   0.168   0.726  -2.127
 6506TIP3    H225828   0.134   0.872  -2.150
 6507TIP3   OH225829  -0.196   0.521  -2.126
 6507TIP3    H125830  -0.281   0.542  -2.086
 6507TIP3    H225831  -0.172   0.599  -2.177
 6508TIP3   OH225832   0.406   0.958  -2.132
 6508TIP3    H125833   0.322   1.002  -2.116
 6508TIP3    H225834   0.441   1.001  -2.211
 6509TIP3   OH225835   0.116   1.057  -2.123
 6509TIP3    H125836   0.116   1.139  -2.176
 6509TIP3    H225837   0.118   1.090  -2.032
 6510TIP3   OH225838  -0.160   0.804  -2.272
 6510TIP3    H125839  -0.086   0.854  -2.232
 6510TIP3    H225840  -0.108   0.749  -2.333
 6511TIP3   OH225841  -0.343   0.037  -2.364
 6511TIP3    H125842  -0.337   0.131  -2.339
 6511TIP3    H225843  -0.433   0.029  -2.397
 6512TIP3   OH225844   0.446   1.007  -2.425
 6512TIP3    H125845   0.370   0.944  -2.425
 6512TIP3    H225846   0.517   0.946  -2.448
 6513TIP3   OH225847   0.915   0.994  -2.412
 6513TIP3    H125848   0.919   0.915  -2.355
 6513TIP3    H225849   1.001   0.991  -2.457
 6514TIP3   OH225850  -0.010   0.570  -2.424
 6514TIP3    H125851   0.003   0.496  -2.364
 6514TIP3    H225852   0.076   0.572  -2.470
 6515TIP3   OH225853   0.515   0.710  -2.464
 6515TIP3    H125854   0.509   0.703  -2.366
 6515TIP3    H225855   0.509   0.614  -2.486
 6516TIP3   OH225856   1.154   0.429  -2.410
 6516TIP3    H125857   1.157   0.378  -2.492
 6516TIP3    H225858   1.154   0.521  -2.441
 6517TIP3   OH225859   0.172   1.312  -2.258
 6517TIP3    H125860   0.268   1.322  -2.247
 6517TIP3    H225861   0.159   1.360  -2.341
 6518TIP3   OH225862  -0.438   0.750  -2.308
 6518TIP3    H125863  -0.342   0.767  -2.293
 6518TIP3    H225864  -0.435   0.671  -2.367
 6519TIP3   OH225865  -0.535   1.266  -1.820
 6519TIP3    H125866  -0.606   1.231  -1.877
 6519TIP3    H225867  -0.522   1.192  -1.757
 6520TIP3   OH225868  -0.467   1.062  -1.617
 6520TIP3    H125869  -0.521   0.981  -1.610
 6520TIP3    H225870  -0.477   1.095  -1.527
 6521TIP3   OH225871   1.063   0.082  -2.376
 6521TIP3    H125872   1.115   0.133  -2.438
 6521TIP3    H225873   1.069  -0.009  -2.411
 6522TIP3   OH225874   1.046  -0.207  -2.427
 6522TIP3    H125875   1.088  -0.267  -2.365
 6522TIP3    H225876   0.958  -0.245  -2.439
 6523TIP3   OH225877  -0.538  -0.348  -2.005
 6523TIP3    H125878  -0.622  -0.309  -1.974
 6523TIP3    H225879  -0.485  -0.271  -2.030
 6524TIP3   OH225880   0.938   1.229  -1.814
 6524TIP3    H125881   1.008   1.197  -1.874
 6524TIP3    H225882   0.974   1.211  -1.727
 6525TIP3   OH225883   0.928   1.313  -1.143
 6525TIP3    H125884   0.915   1.402  -1.179
 6525TIP3    H225885   0.901   1.252  -1.213
 6526TIP3   OH225886   0.872  -0.489  -2.033
 6526TIP3    H125887   0.799  -0.427  -2.047
 6526TIP3    H225888   0.831  -0.572  -2.063
 6527TIP3   OH225889  -0.387   1.061  -2.042
 6527TIP3    H125890  -0.446   1.042  -2.116
 6527TIP3    H225891  -0.396   1.157  -2.036
 6528TIP3   OH225892  -0.227  -0.329  -2.322
 6528TIP3    H125893  -0.171  -0.399  -2.356
 6528TIP3    H225894  -0.172  -0.285  -2.257
 6529TIP3   OH225895   0.473   1.259  -2.257
 6529TIP3    H125896   0.570   1.258  -2.264
 6529TIP3    H225897   0.451   1.189  -2.320
 6530TIP3   OH225898   1.145   1.157  -1.987
 6530TIP3    H125899   1.117   1.073  -2.030
 6530TIP3    H225900   1.131   1.221  -2.059
 6531TIP3   OH225901  -0.249   1.170  -2.382
 6531TIP3    H125902  -0.269   1.199  -2.292
 6531TIP3    H225903  -0.172   1.112  -2.369
 6532TIP3   OH225904   2.496   0.402  -1.742
 6532TIP3    H125905   2.495   0.498  -1.727
 6532TIP3    H225906   2.422   0.391  -1.804
 6533TIP3   OH225907   2.388   0.341  -1.426
 6533TIP3    H125908   2.375   0.287  -1.347
 6533TIP3    H225909   2.357   0.281  -1.496
 6534TIP3   OH225910   2.749   0.625  -1.601
 6534TIP3    H125911   2.714   0.552  -1.549
 6534TIP3    H225912   2.778   0.685  -1.530
 6535TIP3   OH225913   2.455   1.157  -1.551
 6535TIP3    H125914   2.515   1.084  -1.576
 6535TIP3    H225915   2.426   1.129  -1.463
 6536TIP3   OH225916   2.225   0.595  -1.392
 6536TIP3    H125917   2.273   0.517  -1.424
 6536TIP3    H225918   2.277   0.615  -1.313
 6537TIP3   OH225919   3.097  -0.243  -1.317
 6537TIP3    H125920   3.118  -0.187  -1.241
 6537TIP3    H225921   3.165  -0.218  -1.381
 6538TIP3   OH225922   2.556   0.033  -1.325
 6538TIP3    H125923   2.571  -0.064  -1.323
 6538TIP3    H225924   2.543   0.048  -1.420
 6539TIP3   OH225925   2.643  -0.149  -1.788
 6539TIP3    H125926   2.698  -0.191  -1.718
 6539TIP3    H225927   2.711  -0.103  -1.839
 6540TIP3   OH225928   3.164  -0.094  -1.041
 6540TIP3    H125929   3.097  -0.032  -1.074
 6540TIP3    H225930   3.119  -0.128  -0.962
 6541TIP3   OH225931   2.485   0.688  -1.863
 6541TIP3    H125932   2.459   0.667  -1.953
 6541TIP3    H225933   2.444   0.775  -1.847
 6542TIP3   OH225934   2.825  -0.221  -1.582
 6542TIP3    H125935   2.791  -0.290  -1.523
 6542TIP3    H225936   2.877  -0.166  -1.520
 6543TIP3   OH225937   1.839   0.707  -1.109
 6543TIP3    H125938   1.820   0.794  -1.146
 6543TIP3    H225939   1.757   0.681  -1.066
 6544TIP3   OH225940   1.455   0.676  -2.019
 6544TIP3    H125941   1.410   0.688  -2.103
 6544TIP3    H225942   1.446   0.762  -1.977
 6545TIP3   OH225943   2.808   0.807  -1.352
 6545TIP3    H125944   2.711   0.813  -1.346
 6545TIP3    H225945   2.830   0.895  -1.387
 6546TIP3   OH225946   2.835  -0.279  -1.192
 6546TIP3    H125947   2.756  -0.271  -1.249
 6546TIP3    H225948   2.906  -0.292  -1.257
 6547TIP3   OH225949   2.141  -0.528  -1.496
 6547TIP3    H125950   2.136  -0.625  -1.496
 6547TIP3    H225951   2.062  -0.505  -1.444
 6548TIP3   OH225952   2.636   0.997  -1.701
 6548TIP3    H125953   2.686   0.917  -1.726
 6548TIP3    H225954   2.705   1.065  -1.706
 6549TIP3   OH225955   2.782   0.783  -1.835
 6549TIP3    H125956   2.731   0.734  -1.901
 6549TIP3    H225957   2.777   0.721  -1.759
 6550TIP3   OH225958   2.971   0.663  -0.994
 6550TIP3    H125959   2.934   0.590  -1.047
 6550TIP3    H225960   2.933   0.740  -1.038
 6551TIP3   OH225961   2.362   0.365  -2.012
 6551TIP3    H125962   2.293   0.405  -2.068
 6551TIP3    H225963   2.436   0.358  -2.075
 6552TIP3   OH225964   2.390   0.181  -2.313
 6552TIP3    H125965   2.461   0.207  -2.251
 6552TIP3    H225966   2.438   0.116  -2.368
 6553TIP3   OH225967   2.713   0.357  -1.907
 6553TIP3    H125968   2.645   0.376  -1.839
 6553TIP3    H225969   2.774   0.300  -1.856
 6554TIP3   OH225970   2.011   0.780  -1.489
 6554TIP3    H125971   2.010   0.692  -1.526
 6554TIP3    H225972   2.060   0.758  -1.407
 6555TIP3   OH225973   2.525   0.865  -1.329
 6555TIP3    H125974   2.533   0.934  -1.261
 6555TIP3    H225975   2.503   0.785  -1.278
 6556TIP3   OH225976   2.605   0.305  -2.161
 6556TIP3    H125977   2.654   0.328  -2.080
 6556TIP3    H225978   2.657   0.355  -2.229
 6557TIP3   OH225979   2.350   0.962  -1.808
 6557TIP3    H125980   2.401   0.983  -1.728
 6557TIP3    H225981   2.308   1.047  -1.828
 6558TIP3   OH225982   2.951  -0.525  -2.214
 6558TIP3    H125983   2.863  -0.515  -2.173
 6558TIP3    H225984   2.986  -0.435  -2.206
 6559TIP3   OH225985   3.090   0.889  -2.360
 6559TIP3    H125986   3.106   0.982  -2.335
 6559TIP3    H225987   3.176   0.848  -2.341
 6560TIP3   OH225988   2.300   1.231  -1.960
 6560TIP3    H125989   2.311   1.246  -2.056
 6560TIP3    H225990   2.308   1.321  -1.923
 6561TIP3   OH225991   1.680   1.100  -1.803
 6561TIP3    H125992   1.687   1.079  -1.707
 6561TIP3    H225993   1.589   1.077  -1.824
 6562TIP3   OH225994   2.637   1.175  -2.240
 6562TIP3    H125995   2.696   1.110  -2.283
 6562TIP3    H225996   2.633   1.140  -2.149
 6563TIP3   OH225997   2.577   1.118  -1.960
 6563TIP3    H125998   2.483   1.130  -1.940
 6563TIP3    H225999   2.599   1.050  -1.894
 6564TIP3   OH226000   1.892  -0.443  -1.361
 6564TIP3    H126001   1.813  -0.463  -1.414
 6564TIP3    H226002   1.879  -0.350  -1.339
 6565TIP3   OH226003   2.763   0.412  -2.361
 6565TIP3    H126004   2.742   0.391  -2.454
 6565TIP3    H226005   2.858   0.433  -2.368
 6566TIP3   OH226006   2.327  -0.213  -2.312
 6566TIP3    H126007   2.278  -0.228  -2.229
 6566TIP3    H226008   2.286  -0.282  -2.368
 6567TIP3   OH226009   2.440   0.115  -1.898
 6567TIP3    H126010   2.402   0.197  -1.933
 6567TIP3    H226011   2.511   0.096  -1.961
 6568TIP3   OH226012   2.524   0.063  -1.613
 6568TIP3    H126013   2.497   0.118  -1.690
 6568TIP3    H226014   2.545  -0.020  -1.660
 6569TIP3   OH226015   1.971  -0.187  -2.419
 6569TIP3    H126016   1.935  -0.211  -2.332
 6569TIP3    H226017   1.893  -0.157  -2.466
 6570TIP3   OH226018   2.467   0.238  -1.143
 6570TIP3    H126019   2.516   0.168  -1.191
 6570TIP3    H226020   2.458   0.204  -1.054
 6571TIP3   OH226021   2.598  -0.259  -1.365
 6571TIP3    H126022   2.535  -0.270  -1.290
 6571TIP3    H226023   2.544  -0.294  -1.438
 6572TIP3   OH226024   1.850   0.091  -2.257
 6572TIP3    H126025   1.789   0.065  -2.327
 6572TIP3    H226026   1.934   0.106  -2.305
 6573TIP3   OH226027   2.897   1.297  -0.697
 6573TIP3    H126028   2.903   1.339  -0.783
 6573TIP3    H226029   2.963   1.342  -0.644
 6574TIP3   OH226030   2.246   0.071  -1.473
 6574TIP3    H126031   2.319   0.034  -1.523
 6574TIP3    H226032   2.249   0.022  -1.390
 6575TIP3   OH226033   2.162   0.570  -2.075
 6575TIP3    H126034   2.093   0.507  -2.106
 6575TIP3    H226035   2.156   0.557  -1.978
 6576TIP3   OH226036   2.913   0.444  -1.186
 6576TIP3    H126037   2.975   0.489  -1.246
 6576TIP3    H226038   2.830   0.447  -1.237
 6577TIP3   OH226039   2.595  -0.152  -2.299
 6577TIP3    H126040   2.497  -0.159  -2.299
 6577TIP3    H226041   2.614  -0.083  -2.233
 6578TIP3   OH226042   2.663   0.028  -2.093
 6578TIP3    H126043   2.749   0.010  -2.051
 6578TIP3    H226044   2.678   0.115  -2.134
 6579TIP3   OH226045   2.419   0.699  -2.185
 6579TIP3    H126046   2.391   0.783  -2.144
 6579TIP3    H226047   2.349   0.639  -2.155
 6580TIP3   OH226048   2.584   0.835  -1.028
 6580TIP3    H126049   2.489   0.833  -1.040
 6580TIP3    H226050   2.595   0.833  -0.933
 6581TIP3   OH226051   3.122   0.024  -2.119
 6581TIP3    H126052   3.066   0.006  -2.196
 6581TIP3    H226053   3.135   0.120  -2.131
 6582TIP3   OH226054   2.941   0.888  -2.110
 6582TIP3    H126055   2.918   0.812  -2.054
 6582TIP3    H226056   2.998   0.849  -2.178
 6583TIP3   OH226057   2.672   0.426  -1.367
 6583TIP3    H126058   2.578   0.408  -1.382
 6583TIP3    H226059   2.713   0.351  -1.415
 6584TIP3   OH226060   1.491   0.314  -2.296
 6584TIP3    H126061   1.561   0.365  -2.254
 6584TIP3    H226062   1.411   0.355  -2.262
 6585TIP3   OH226063   2.067   0.600  -1.805
 6585TIP3    H126064   2.089   0.680  -1.757
 6585TIP3    H226065   2.012   0.550  -1.744
 6586TIP3   OH226066   2.135   1.040  -1.186
 6586TIP3    H126067   2.201   1.109  -1.205
 6586TIP3    H226068   2.186   0.971  -1.141
 6587TIP3   OH226069   1.957   1.085  -1.848
 6587TIP3    H126070   1.869   1.120  -1.821
 6587TIP3    H226071   2.015   1.155  -1.811
 6588TIP3   OH226072   2.477   0.592  -1.186
 6588TIP3    H126073   2.453   0.565  -1.096
 6588TIP3    H226074   2.544   0.526  -1.208
 6589TIP3   OH226075   2.687   0.732  -2.319
 6589TIP3    H126076   2.731   0.684  -2.246
 6589TIP3    H226077   2.595   0.715  -2.294
 6590TIP3   OH226078   3.162   1.155  -2.267
 6590TIP3    H126079   3.232   1.220  -2.288
 6590TIP3    H226080   3.086   1.215  -2.266
 6591TIP3   OH226081   2.784   0.592  -2.081
 6591TIP3    H126082   2.757   0.519  -2.023
 6591TIP3    H226083   2.881   0.588  -2.072
 6592TIP3   OH226084   2.112   0.835  -2.462
 6592TIP3    H126085   2.143   0.761  -2.519
 6592TIP3    H226086   2.069   0.785  -2.392
 6593TIP3   OH226087   1.982   0.790  -2.134
 6593TIP3    H126088   2.055   0.725  -2.134
 6593TIP3    H226089   2.027   0.873  -2.158
 6594TIP3   OH226090   1.696   0.539  -2.102
 6594TIP3    H126091   1.603   0.558  -2.085
 6594TIP3    H226092   1.717   0.591  -2.180
 6595TIP3   OH226093   2.437  -0.244  -1.139
 6595TIP3    H126094   2.497  -0.217  -1.069
 6595TIP3    H226095   2.404  -0.329  -1.104
 6596TIP3   OH226096   2.510  -0.276  -2.020
 6596TIP3    H126097   2.530  -0.223  -2.099
 6596TIP3    H226098   2.556  -0.227  -1.950
 6597TIP3   OH226099   2.280   0.944  -2.133
 6597TIP3    H126100   2.211   1.008  -2.110
 6597TIP3    H226101   2.331   0.993  -2.199
 6598TIP3   OH226102   2.224  -0.088  -1.927
 6598TIP3    H126103   2.298  -0.026  -1.916
 6598TIP3    H226104   2.179  -0.084  -1.841
 6599TIP3   OH226105   2.305  -0.372  -1.833
 6599TIP3    H126106   2.304  -0.312  -1.757
 6599TIP3    H226107   2.376  -0.331  -1.887
 6600TIP3   OH226108   2.007   1.061  -2.122
 6600TIP3    H126109   2.003   1.138  -2.183
 6600TIP3    H226110   2.001   1.106  -2.035
 6601TIP3   OH226111   1.873  -0.254  -2.163
 6601TIP3    H126112   1.873  -0.172  -2.111
 6601TIP3    H226113   1.947  -0.302  -2.123
 6602TIP3   OH226114   2.900  -0.185  -0.917
 6602TIP3    H126115   2.809  -0.153  -0.918
 6602TIP3    H226116   2.908  -0.221  -1.008
 6603TIP3   OH226117   2.766   0.195  -1.526
 6603TIP3    H126118   2.681   0.153  -1.546
 6603TIP3    H226119   2.812   0.126  -1.475
 6604TIP3   OH226120   1.722   0.807  -2.276
 6604TIP3    H126121   1.797   0.856  -2.238
 6604TIP3    H226122   1.769   0.752  -2.340
 6605TIP3   OH226123   1.543   0.030  -2.375
 6605TIP3    H126124   1.549   0.100  -2.308
 6605TIP3    H226125   1.450   0.007  -2.373
 6606TIP3   OH226126   2.871   1.083  -1.384
 6606TIP3    H126127   2.852   1.166  -1.431
 6606TIP3    H226128   2.963   1.099  -1.357
 6607TIP3   OH226129   1.621  -0.518  -1.499
 6607TIP3    H126130   1.591  -0.513  -1.591
 6607TIP3    H226131   1.570  -0.592  -1.463
 6608TIP3   OH226132   2.335   1.006  -2.415
 6608TIP3    H126133   2.261   0.942  -2.424
 6608TIP3    H226134   2.408   0.952  -2.451
 6609TIP3   OH226135   2.797   0.997  -2.403
 6609TIP3    H126136   2.811   0.916  -2.350
 6609TIP3    H226137   2.878   0.998  -2.458
 6610TIP3   OH226138   1.878   0.579  -2.419
 6610TIP3    H126139   1.895   0.508  -2.355
 6610TIP3    H226140   1.958   0.571  -2.475
 6611TIP3   OH226141   2.397   0.711  -2.467
 6611TIP3    H126142   2.399   0.705  -2.370
 6611TIP3    H226143   2.396   0.615  -2.490
 6612TIP3   OH226144   1.981   0.378  -2.184
 6612TIP3    H126145   1.918   0.323  -2.135
 6612TIP3    H226146   2.011   0.312  -2.251
 6613TIP3   OH226147   2.087   0.199  -2.373
 6613TIP3    H126148   2.082   0.200  -2.470
 6613TIP3    H226149   2.182   0.187  -2.357
 6614TIP3   OH226150   3.032   0.440  -2.437
 6614TIP3    H126151   3.023   0.396  -2.523
 6614TIP3    H226152   3.021   0.534  -2.464
 6615TIP3   OH226153   2.059   1.306  -2.260
 6615TIP3    H126154   2.153   1.323  -2.248
 6615TIP3    H226155   2.042   1.357  -2.341
 6616TIP3   OH226156   1.444   0.748  -2.306
 6616TIP3    H126157   1.539   0.769  -2.288
 6616TIP3    H226158   1.450   0.671  -2.365
 6617TIP3   OH226159   1.349   1.259  -1.798
 6617TIP3    H126160   1.286   1.230  -1.867
 6617TIP3    H226161   1.341   1.191  -1.732
 6618TIP3   OH226162   3.145   1.190  -1.332
 6618TIP3    H126163   3.152   1.202  -1.236
 6618TIP3    H226164   3.224   1.233  -1.364
 6619TIP3   OH226165   3.139   1.132  -1.045
 6619TIP3    H126166   3.070   1.066  -1.069
 6619TIP3    H226167   3.179   1.094  -0.966
 6620TIP3   OH226168   3.071   0.578  -2.043
 6620TIP3    H126169   3.162   0.608  -2.026
 6620TIP3    H226170   3.061   0.513  -1.971
 6621TIP3   OH226171   3.117   0.373  -1.846
 6621TIP3    H126172   3.049   0.317  -1.803
 6621TIP3    H226173   3.184   0.384  -1.776
 6622TIP3   OH226174   3.095   0.632  -1.333
 6622TIP3    H126175   3.154   0.566  -1.375
 6622TIP3    H226176   3.115   0.713  -1.383
 6623TIP3   OH226177   2.940   0.921  -1.107
 6623TIP3    H126178   2.857   0.954  -1.071
 6623TIP3    H226179   2.908   0.881  -1.191
 6624TIP3   OH226180   3.144   0.318  -2.189
 6624TIP3    H126181   3.092   0.347  -2.266
 6624TIP3    H226182   3.130   0.391  -2.127
 6625TIP3   OH226183   2.967   0.075  -2.363
 6625TIP3    H126184   2.996   0.131  -2.436
 6625TIP3    H226185   2.945  -0.009  -2.408
 6626TIP3   OH226186   2.908   0.186  -1.766
 6626TIP3    H126187   2.903   0.090  -1.779
 6626TIP3    H226188   2.870   0.196  -1.676
 6627TIP3   OH226189   2.917  -0.191  -2.441
 6627TIP3    H126190   2.975  -0.242  -2.382
 6627TIP3    H226191   2.836  -0.245  -2.445
 6628TIP3   OH226192   2.897  -0.065  -1.948
 6628TIP3    H126193   2.920  -0.160  -1.940
 6628TIP3    H226194   2.979  -0.030  -1.987
 6629TIP3   OH226195   2.917   0.003  -1.395
 6629TIP3    H126196   3.014   0.011  -1.395
 6629TIP3    H226197   2.899   0.006  -1.300
 6630TIP3   OH226198   2.930   0.111  -1.117
 6630TIP3    H126199   2.845   0.125  -1.074
 6630TIP3    H226200   2.953   0.200  -1.146
 6631TIP3   OH226201   2.944  -0.345  -1.949
 6631TIP3    H126202   2.957  -0.378  -1.859
 6631TIP3    H226203   2.864  -0.394  -1.977
 6632TIP3   OH226204   3.141  -0.294  -2.285
 6632TIP3    H126205   3.173  -0.376  -2.326
 6632TIP3    H226206   3.223  -0.244  -2.272
 6633TIP3   OH226207   2.827   1.205  -1.755
 6633TIP3    H126208   2.877   1.178  -1.834
 6633TIP3    H226209   2.896   1.242  -1.699
 6634TIP3   OH226210   1.871   0.981  -1.046
 6634TIP3    H126211   1.925   0.903  -1.028
 6634TIP3    H226212   1.932   1.043  -1.088
 6635TIP3   OH226213   3.020  -0.487  -0.969
 6635TIP3    H126214   2.935  -0.467  -1.011
 6635TIP3    H226215   3.033  -0.578  -1.000
 6636TIP3   OH226216   1.615   1.328  -1.047
 6636TIP3    H126217   1.541   1.347  -1.108
 6636TIP3    H226218   1.580   1.262  -0.986
 6637TIP3   OH226219   1.877   1.247  -1.215
 6637TIP3    H126220   1.810   1.264  -1.147
 6637TIP3    H226221   1.866   1.323  -1.274
 6638TIP3   OH226222   2.317   1.258  -1.268
 6638TIP3    H126223   2.278   1.304  -1.344
 6638TIP3    H226224   2.331   1.331  -1.205
 6639TIP3   OH226225   2.547   1.113  -1.195
 6639TIP3    H126226   2.464   1.160  -1.211
 6639TIP3    H226227   2.602   1.181  -1.153
 6640TIP3   OH226228   2.823   1.283  -1.142
 6640TIP3    H126229   2.800   1.372  -1.171
 6640TIP3    H226230   2.823   1.233  -1.225
 6641TIP3   OH226231   1.773   1.028  -1.552
 6641TIP3    H126232   1.748   0.952  -1.498
 6641TIP3    H226233   1.854   1.057  -1.506
 6642TIP3   OH226234   2.037   1.071  -1.459
 6642TIP3    H126235   2.050   0.976  -1.478
 6642TIP3    H226236   2.047   1.071  -1.361
 6643TIP3   OH226237   2.359  -0.331  -1.533
 6643TIP3    H126238   2.286  -0.393  -1.512
 6643TIP3    H226239   2.420  -0.388  -1.583
 6644TIP3   OH226240   2.856  -0.526  -1.474
 6644TIP3    H126241   2.934  -0.494  -1.523
 6644TIP3    H226242   2.782  -0.512  -1.535
 6645TIP3   OH226243   3.060  -0.427  -1.694
 6645TIP3    H126244   3.134  -0.472  -1.739
 6645TIP3    H226245   3.095  -0.337  -1.680
 6646TIP3   OH226246   1.583  -0.480  -1.775
 6646TIP3    H126247   1.512  -0.505  -1.834
 6646TIP3    H226248   1.655  -0.538  -1.804
 6647TIP3   OH226249   1.459  -0.502  -2.162
 6647TIP3    H126250   1.520  -0.456  -2.223
 6647TIP3    H226251   1.423  -0.427  -2.113
 6648TIP3   OH226252   2.045  -0.498  -1.776
 6648TIP3    H126253   2.131  -0.456  -1.792
 6648TIP3    H226254   2.044  -0.500  -1.679
 6649TIP3   OH226255   2.597  -0.480  -1.640
 6649TIP3    H126256   2.628  -0.505  -1.728
 6649TIP3    H226257   2.562  -0.565  -1.607
 6650TIP3   OH226258   2.711  -0.485  -2.046
 6650TIP3    H126259   2.627  -0.435  -2.055
 6650TIP3    H226260   2.677  -0.573  -2.023
 6651TIP3   OH226261   1.482   1.057  -2.048
 6651TIP3    H126262   1.422   1.050  -2.125
 6651TIP3    H226263   1.493   1.152  -2.044
 6652TIP3   OH226264   1.652  -0.337  -2.324
 6652TIP3    H126265   1.717  -0.389  -2.374
 6652TIP3    H226266   1.709  -0.299  -2.254
 6653TIP3   OH226267   2.165  -0.314  -2.081
 6653TIP3    H126268   2.188  -0.374  -2.009
 6653TIP3    H226269   2.172  -0.228  -2.034
 6654TIP3   OH226270   2.362   1.257  -2.251
 6654TIP3    H126271   2.460   1.259  -2.256
 6654TIP3    H226272   2.342   1.193  -2.321
 6655TIP3   OH226273   3.012   1.160  -1.993
 6655TIP3    H126274   2.989   1.075  -2.036
 6655TIP3    H226275   3.009   1.220  -2.069
 6656TIP3   OH226276   1.638   1.170  -2.383
 6656TIP3    H126277   1.614   1.200  -2.294
 6656TIP3    H226278   1.715   1.114  -2.368
 6657TIP3   OH226279   4.207   0.326  -1.429
 6657TIP3    H126280   4.288   0.338  -1.375
 6657TIP3    H226281   4.244   0.305  -1.516
 6658TIP3   OH226282   3.515   0.311  -1.260
 6658TIP3    H126283   3.519   0.231  -1.204
 6658TIP3    H226284   3.595   0.357  -1.233
 6659TIP3   OH226285   3.583   0.773  -1.409
 6659TIP3    H126286   3.558   0.682  -1.437
 6659TIP3    H226287   3.679   0.759  -1.399
 6660TIP3   OH226288   3.281   0.115  -1.882
 6660TIP3    H126289   3.236   0.200  -1.870
 6660TIP3    H226290   3.209   0.060  -1.915
 6661TIP3   OH226291   3.357   0.358  -1.687
 6661TIP3    H126292   3.371   0.275  -1.638
 6661TIP3    H226293   3.439   0.365  -1.737
 6662TIP3   OH226294   4.117   0.600  -1.367
 6662TIP3    H126295   4.142   0.521  -1.419
 6662TIP3    H226296   4.200   0.618  -1.321
 6663TIP3   OH226297   3.744  -0.165  -1.618
 6663TIP3    H126298   3.758  -0.080  -1.664
 6663TIP3    H226299   3.709  -0.218  -1.692
 6664TIP3   OH226300   3.412   0.109  -1.567
 6664TIP3    H126301   3.472   0.058  -1.510
 6664TIP3    H226302   3.418   0.058  -1.650
 6665TIP3   OH226303   3.950   0.243  -1.619
 6665TIP3    H126304   4.026   0.191  -1.585
 6665TIP3    H226305   3.902   0.174  -1.668
 6666TIP3   OH226306   3.625  -0.284  -1.201
 6666TIP3    H126307   3.581  -0.238  -1.274
 6666TIP3    H226308   3.557  -0.276  -1.131
 6667TIP3   OH226309   3.908   0.508  -1.183
 6667TIP3    H126310   3.830   0.564  -1.178
 6667TIP3    H226311   3.975   0.565  -1.225
 6668TIP3   OH226312   3.583  -0.080  -1.411
 6668TIP3    H126313   3.649  -0.025  -1.364
 6668TIP3    H226314   3.641  -0.120  -1.480
 6669TIP3   OH226315   3.657   0.682  -1.100
 6669TIP3    H126316   3.682   0.770  -1.133
 6669TIP3    H226317   3.615   0.700  -1.015
 6670TIP3   OH226318   3.348   0.660  -2.030
 6670TIP3    H126319   3.326   0.710  -2.111
 6670TIP3    H226320   3.364   0.729  -1.963
 6671TIP3   OH226321   4.044  -0.540  -1.487
 6671TIP3    H126322   4.016  -0.634  -1.490
 6671TIP3    H226323   3.964  -0.497  -1.452
 6672TIP3   OH226324   4.269   0.346  -2.024
 6672TIP3    H126325   4.200   0.412  -2.037
 6672TIP3    H226326   4.328   0.364  -2.097
 6673TIP3   OH226327   4.291   0.194  -2.308
 6673TIP3    H126328   4.361   0.184  -2.242
 6673TIP3    H226329   4.293   0.111  -2.356
 6674TIP3   OH226330   3.759   0.433  -1.731
 6674TIP3    H126331   3.728   0.387  -1.811
 6674TIP3    H226332   3.822   0.368  -1.694
 6675TIP3   OH226333   3.895   0.768  -1.452
 6675TIP3    H126334   3.888   0.730  -1.541
 6675TIP3    H226335   3.977   0.725  -1.421
 6676TIP3   OH226336   3.816   0.321  -1.382
 6676TIP3    H126337   3.876   0.313  -1.458
 6676TIP3    H226338   3.866   0.380  -1.322
 6677TIP3   OH226339   3.905   0.755  -0.901
 6677TIP3    H126340   3.854   0.814  -0.844
 6677TIP3    H226341   3.840   0.724  -0.964
 6678TIP3   OH226342   3.579   0.375  -0.966
 6678TIP3    H126343   3.576   0.444  -0.899
 6678TIP3    H226344   3.490   0.377  -1.004
 6679TIP3   OH226345   4.251   0.958  -1.813
 6679TIP3    H126346   4.299   1.005  -1.743
 6679TIP3    H226347   4.199   1.029  -1.853
 6680TIP3   OH226348   3.694   0.950  -0.816
 6680TIP3    H126349   3.696   0.971  -0.911
 6680TIP3    H226350   3.600   0.948  -0.794
 6681TIP3   OH226351   3.650   0.309  -1.977
 6681TIP3    H126352   3.628   0.383  -2.035
 6681TIP3    H226353   3.585   0.242  -2.003
 6682TIP3   OH226354   3.261   0.867  -1.416
 6682TIP3    H126355   3.354   0.840  -1.410
 6682TIP3    H226356   3.251   0.937  -1.350
 6683TIP3   OH226357   4.172   0.855  -0.955
 6683TIP3    H126358   4.182   0.939  -0.907
 6683TIP3    H226359   4.085   0.822  -0.925
 6684TIP3   OH226360   4.180   1.235  -1.960
 6684TIP3    H126361   4.206   1.238  -2.053
 6684TIP3    H226362   4.208   1.320  -1.924
 6685TIP3   OH226363   3.572   1.149  -1.793
 6685TIP3    H126364   3.589   1.102  -1.709
 6685TIP3    H226365   3.491   1.105  -1.823
 6686TIP3   OH226366   3.797  -0.421  -1.405
 6686TIP3    H126367   3.714  -0.431  -1.455
 6686TIP3    H226368   3.772  -0.350  -1.344
 6687TIP3   OH226369   4.232  -0.487  -0.977
 6687TIP3    H126370   4.244  -0.561  -0.915
 6687TIP3    H226371   4.141  -0.504  -1.008
 6688TIP3   OH226372   4.228  -0.204  -2.315
 6688TIP3    H126373   4.179  -0.218  -2.232
 6688TIP3    H226374   4.196  -0.280  -2.365
 6689TIP3   OH226375   3.780   0.057  -1.263
 6689TIP3    H126376   3.719   0.064  -1.188
 6689TIP3    H226377   3.785   0.148  -1.297
 6690TIP3   OH226378   3.774   0.065  -1.775
 6690TIP3    H126379   3.678   0.053  -1.790
 6690TIP3    H226380   3.809   0.043  -1.863
 6691TIP3   OH226381   4.281   0.115  -1.827
 6691TIP3    H126382   4.267   0.209  -1.848
 6691TIP3    H226383   4.371   0.113  -1.794
 6692TIP3   OH226384   4.249   0.145  -0.744
 6692TIP3    H126385   4.195   0.065  -0.728
 6692TIP3    H226386   4.338   0.104  -0.743
 6693TIP3   OH226387   3.521   0.072  -1.080
 6693TIP3    H126388   3.543   0.098  -0.990
 6693TIP3    H226389   3.480  -0.016  -1.065
 6694TIP3   OH226390   3.863  -0.163  -2.422
 6694TIP3    H126391   3.825  -0.199  -2.339
 6694TIP3    H226392   3.785  -0.155  -2.478
 6695TIP3   OH226393   3.204  -0.174  -1.719
 6695TIP3    H126394   3.260  -0.182  -1.639
 6695TIP3    H226395   3.252  -0.224  -1.786
 6696TIP3   OH226396   3.358  -0.138  -2.145
 6696TIP3    H126397   3.414  -0.089  -2.209
 6696TIP3    H226398   3.290  -0.072  -2.125
 6697TIP3   OH226399   4.344   0.202  -1.138
 6697TIP3    H126400   4.377   0.136  -1.204
 6697TIP3    H226401   4.271   0.151  -1.099
 6698TIP3   OH226402   4.049  -0.192  -1.671
 6698TIP3    H126403   3.954  -0.190  -1.647
 6698TIP3    H226404   4.089  -0.182  -1.584
 6699TIP3   OH226405   3.511  -0.053  -1.806
 6699TIP3    H126406   3.427  -0.029  -1.849
 6699TIP3    H226407   3.538  -0.134  -1.852
 6700TIP3   OH226408   3.873  -0.023  -2.037
 6700TIP3    H126409   3.969  -0.011  -2.029
 6700TIP3    H226410   3.846   0.040  -2.106
 6701TIP3   OH226411   3.720   0.107  -2.259
 6701TIP3    H126412   3.660   0.075  -2.328
 6701TIP3    H226413   3.803   0.116  -2.309
 6702TIP3   OH226414   3.530   0.598  -0.759
 6702TIP3    H126415   3.617   0.598  -0.714
 6702TIP3    H226416   3.475   0.580  -0.682
 6703TIP3   OH226417   4.141   0.045  -1.527
 6703TIP3    H126418   4.215   0.004  -1.574
 6703TIP3    H226419   4.161   0.024  -1.435
 6704TIP3   OH226420   3.683  -0.282  -1.876
 6704TIP3    H126421   3.626  -0.358  -1.856
 6704TIP3    H226422   3.766  -0.324  -1.903
 6705TIP3   OH226423   4.051  -0.087  -1.261
 6705TIP3    H126424   3.979  -0.023  -1.274
 6705TIP3    H226425   4.101  -0.047  -1.188
 6706TIP3   OH226426   4.073   0.547  -2.071
 6706TIP3    H126427   3.995   0.500  -2.107
 6706TIP3    H226428   4.050   0.557  -1.976
 6707TIP3   OH226429   4.192   0.548  -0.950
 6707TIP3    H126430   4.194   0.532  -0.856
 6707TIP3    H226431   4.217   0.641  -0.959
 6708TIP3   OH226432   3.580   0.506  -1.489
 6708TIP3    H126433   3.633   0.489  -1.569
 6708TIP3    H226434   3.582   0.419  -1.446
 6709TIP3   OH226435   4.287   0.691  -2.177
 6709TIP3    H126436   4.259   0.779  -2.145
 6709TIP3    H226437   4.214   0.636  -2.143
 6710TIP3   OH226438   4.002   0.280  -0.764
 6710TIP3    H126439   3.966   0.247  -0.848
 6710TIP3    H226440   4.095   0.252  -0.772
 6711TIP3   OH226441   3.814   0.830  -1.764
 6711TIP3    H126442   3.858   0.915  -1.779
 6711TIP3    H226443   3.724   0.849  -1.792
 6712TIP3   OH226444   3.414   0.310  -2.308
 6712TIP3    H126445   3.473   0.376  -2.266
 6712TIP3    H226446   3.327   0.335  -2.270
 6713TIP3   OH226447   3.994   0.598  -1.808
 6713TIP3    H126448   3.966   0.689  -1.790
 6713TIP3    H226449   3.925   0.547  -1.763
 6714TIP3   OH226450   4.019   1.027  -1.165
 6714TIP3    H126451   4.077   1.099  -1.198
 6714TIP3    H226452   4.084   0.974  -1.115
 6715TIP3   OH226453   3.859   1.119  -1.847
 6715TIP3    H126454   3.764   1.136  -1.837
 6715TIP3    H226455   3.898   1.205  -1.822
 6716TIP3   OH226456   3.430  -0.203  -1.005
 6716TIP3    H126457   3.337  -0.176  -1.021
 6716TIP3    H226458   3.417  -0.291  -0.965
 6717TIP3   OH226459   3.410   0.906  -1.077
 6717TIP3    H126460   3.458   0.877  -1.156
 6717TIP3    H226461   3.435   1.000  -1.073
 6718TIP3   OH226462   3.994   0.837  -2.464
 6718TIP3    H126463   4.029   0.760  -2.511
 6718TIP3    H226464   3.957   0.794  -2.385
 6719TIP3   OH226465   3.885   0.781  -2.188
 6719TIP3    H126466   3.934   0.729  -2.122
 6719TIP3    H226467   3.899   0.873  -2.157
 6720TIP3   OH226468   3.565   0.530  -2.155
 6720TIP3    H126469   3.493   0.568  -2.099
 6720TIP3    H226470   3.614   0.611  -2.179
 6721TIP3   OH226471   4.335  -0.180  -1.093
 6721TIP3    H126472   4.387  -0.258  -1.071
 6721TIP3    H226473   4.275  -0.215  -1.161
 6722TIP3   OH226474   4.167   0.947  -2.137
 6722TIP3    H126475   4.089   0.999  -2.112
 6722TIP3    H226476   4.210   1.006  -2.200
 6723TIP3   OH226477   4.137  -0.087  -1.930
 6723TIP3    H126478   4.201  -0.019  -1.899
 6723TIP3    H226479   4.101  -0.112  -1.844
 6724TIP3   OH226480   4.168   0.013  -1.012
 6724TIP3    H126481   4.186   0.058  -0.928
 6724TIP3    H226482   4.234  -0.059  -1.013
 6725TIP3   OH226483   4.190  -0.385  -1.806
 6725TIP3    H126484   4.167  -0.302  -1.759
 6725TIP3    H226485   4.268  -0.357  -1.860
 6726TIP3   OH226486   3.893   1.055  -2.130
 6726TIP3    H126487   3.891   1.137  -2.182
 6726TIP3    H226488   3.881   1.088  -2.039
 6727TIP3   OH226489   3.770  -0.275  -2.188
 6727TIP3    H126490   3.769  -0.204  -2.121
 6727TIP3    H226491   3.848  -0.326  -2.159
 6728TIP3   OH226492   3.611   0.813  -2.276
 6728TIP3    H126493   3.685   0.860  -2.234
 6728TIP3    H226494   3.661   0.760  -2.341
 6729TIP3   OH226495   3.426   0.031  -2.365
 6729TIP3    H126496   3.435   0.125  -2.341
 6729TIP3    H226497   3.338   0.028  -2.403
 6730TIP3   OH226498   3.517  -0.466  -1.485
 6730TIP3    H126499   3.497  -0.471  -1.580
 6730TIP3    H226500   3.484  -0.552  -1.451
 6731TIP3   OH226501   3.406   0.883  -1.856
 6731TIP3    H126502   3.327   0.933  -1.834
 6731TIP3    H226503   3.443   0.934  -1.930
 6732TIP3   OH226504   3.349   1.131  -0.752
 6732TIP3    H126505   3.406   1.136  -0.673
 6732TIP3    H226506   3.279   1.073  -0.722
 6733TIP3   OH226507   3.817   1.084  -0.568
 6733TIP3    H126508   3.880   1.016  -0.539
 6733TIP3    H226509   3.791   1.048  -0.654
 6734TIP3   OH226510   4.232   1.003  -2.434
 6734TIP3    H126511   4.148   0.952  -2.430
 6734TIP3    H226512   4.294   0.928  -2.443
 6735TIP3   OH226513   3.763   0.579  -2.429
 6735TIP3    H126514   3.777   0.519  -2.354
 6735TIP3    H226515   3.849   0.573  -2.474
 6736TIP3   OH226516   4.003   0.558  -0.697
 6736TIP3    H126517   3.985   0.586  -0.788
 6736TIP3    H226518   4.018   0.462  -0.708
 6737TIP3   OH226519   4.262   0.711  -2.474
 6737TIP3    H126520   4.276   0.720  -2.378
 6737TIP3    H226521   4.242   0.616  -2.481
 6738TIP3   OH226522   3.870   0.385  -2.198
 6738TIP3    H126523   3.808   0.336  -2.142
 6738TIP3    H226524   3.901   0.315  -2.258
 6739TIP3   OH226525   3.796   0.168  -0.964
 6739TIP3    H126526   3.736   0.243  -0.952
 6739TIP3    H226527   3.854   0.198  -1.036
 6740TIP3   OH226528   3.980   0.187  -2.366
 6740TIP3    H126529   3.969   0.191  -2.463
 6740TIP3    H226530   4.075   0.199  -2.356
 6741TIP3   OH226531   4.282   0.413  -0.607
 6741TIP3    H126532   4.359   0.382  -0.655
 6741TIP3    H226533   4.266   0.337  -0.549
 6742TIP3   OH226534   3.860  -0.105  -0.852
 6742TIP3    H126535   3.859  -0.172  -0.923
 6742TIP3    H226536   3.837  -0.024  -0.902
 6743TIP3   OH226537   3.886  -0.261  -1.110
 6743TIP3    H126538   3.935  -0.205  -1.175
 6743TIP3    H226539   3.795  -0.259  -1.145
 6744TIP3   OH226540   4.057   0.281  -1.086
 6744TIP3    H126541   4.135   0.279  -1.144
 6744TIP3    H226542   4.031   0.374  -1.093
 6745TIP3   OH226543   3.663   0.079  -0.667
 6745TIP3    H126544   3.609  -0.001  -0.685
 6745TIP3    H226545   3.743   0.059  -0.718
 6746TIP3   OH226546   3.970  -0.524  -1.075
 6746TIP3    H126547   3.946  -0.430  -1.092
 6746TIP3    H226548   3.905  -0.570  -1.130
 6747TIP3   OH226549   4.102  -0.079  -0.701
 6747TIP3    H126550   4.062  -0.105  -0.616
 6747TIP3    H226551   4.027  -0.100  -0.761
 6748TIP3   OH226552   3.554  -0.178  -0.689
 6748TIP3    H126553   3.526  -0.230  -0.766
 6748TIP3    H226554   3.489  -0.207  -0.623
 6749TIP3   OH226555   3.945  -0.579  -0.792
 6749TIP3    H126556   4.008  -0.653  -0.792
 6749TIP3    H226557   3.938  -0.562  -0.888
 6750TIP3   OH226558   4.035  -0.397  -0.598
 6750TIP3    H126559   4.008  -0.453  -0.674
 6750TIP3    H226560   3.971  -0.325  -0.603
 6751TIP3   OH226561   3.956   1.308  -2.259
 6751TIP3    H126562   4.052   1.316  -2.251
 6751TIP3    H226563   3.941   1.357  -2.340
 6752TIP3   OH226564   3.334   0.753  -2.309
 6752TIP3    H126565   3.430   0.769  -2.293
 6752TIP3    H226566   3.336   0.672  -2.364
 6753TIP3   OH226567   3.235   1.269  -1.833
 6753TIP3    H126568   3.162   1.233  -1.887
 6753TIP3    H226569   3.244   1.201  -1.764
 6754TIP3   OH226570   3.273   1.074  -1.636
 6754TIP3    H126571   3.242   0.986  -1.606
 6754TIP3    H226572   3.305   1.108  -1.551
 6755TIP3   OH226573   3.270   0.398  -1.383
 6755TIP3    H126574   3.292   0.396  -1.477
 6755TIP3    H226575   3.355   0.373  -1.341
 6756TIP3   OH226576   3.347  -0.219  -1.473
 6756TIP3    H126577   3.387  -0.308  -1.464
 6756TIP3    H226578   3.420  -0.163  -1.440
 6757TIP3   OH226579   3.200   0.066  -1.354
 6757TIP3    H126580   3.256   0.042  -1.429
 6757TIP3    H226581   3.235   0.153  -1.331
 6758TIP3   OH226582   3.253  -0.325  -1.966
 6758TIP3    H126583   3.157  -0.319  -1.983
 6758TIP3    H226584   3.291  -0.262  -2.030
 6759TIP3   OH226585   3.255  -0.431  -1.147
 6759TIP3    H126586   3.187  -0.457  -1.082
 6759TIP3    H226587   3.200  -0.392  -1.217
 6760TIP3   OH226588   3.737   0.972  -1.109
 6760TIP3    H126589   3.716   1.060  -1.146
 6760TIP3    H226590   3.833   0.972  -1.125
 6761TIP3   OH226591   4.219   1.137  -0.823
 6761TIP3    H126592   4.205   1.099  -0.734
 6761TIP3    H226593   4.314   1.157  -0.818
 6762TIP3   OH226594   3.466   1.253  -1.084
 6762TIP3    H126595   3.417   1.326  -1.127
 6762TIP3    H226596   3.445   1.274  -0.992
 6763TIP3   OH226597   3.723   1.238  -1.227
 6763TIP3    H126598   3.646   1.273  -1.179
 6763TIP3    H226599   3.739   1.309  -1.293
 6764TIP3   OH226600   4.192   1.228  -1.266
 6764TIP3    H126601   4.181   1.273  -1.351
 6764TIP3    H226602   4.263   1.280  -1.225
 6765TIP3   OH226603   3.434   1.141  -1.389
 6765TIP3    H126604   3.454   1.120  -1.297
 6765TIP3    H226605   3.512   1.105  -1.436
 6766TIP3   OH226606   3.636   1.025  -1.539
 6766TIP3    H126607   3.625   0.930  -1.518
 6766TIP3    H226608   3.729   1.040  -1.512
 6767TIP3   OH226609   3.909   1.070  -1.454
 6767TIP3    H126610   3.935   0.979  -1.476
 6767TIP3    H226611   3.923   1.069  -1.358
 6768TIP3   OH226612   4.265  -0.371  -1.522
 6768TIP3    H126613   4.182  -0.421  -1.510
 6768TIP3    H226614   4.299  -0.411  -1.602
 6769TIP3   OH226615   3.482  -0.469  -1.770
 6769TIP3    H126616   3.395  -0.485  -1.812
 6769TIP3    H226617   3.523  -0.557  -1.781
 6770TIP3   OH226618   3.358  -0.521  -2.181
 6770TIP3    H126619   3.411  -0.455  -2.230
 6770TIP3    H226620   3.322  -0.467  -2.108
 6771TIP3   OH226621   3.929  -0.483  -1.778
 6771TIP3    H126622   4.023  -0.458  -1.791
 6771TIP3    H226623   3.928  -0.498  -1.683
 6772TIP3   OH226624   3.381   1.074  -2.064
 6772TIP3    H126625   3.316   1.062  -2.135
 6772TIP3    H226626   3.378   1.171  -2.054
 6773TIP3   OH226627   3.533  -0.338  -2.337
 6773TIP3    H126628   3.594  -0.395  -2.388
 6773TIP3    H226629   3.593  -0.305  -2.267
 6774TIP3   OH226630   4.064  -0.316  -2.082
 6774TIP3    H126631   4.071  -0.384  -2.013
 6774TIP3    H226632   4.060  -0.234  -2.030
 6775TIP3   OH226633   4.263   1.240  -2.255
 6775TIP3    H126634   4.351   1.277  -2.271
 6775TIP3    H226635   4.250   1.180  -2.331
 6776TIP3   OH226636   3.460  -0.445  -0.818
 6776TIP3    H126637   3.412  -0.522  -0.781
 6776TIP3    H226638   3.549  -0.458  -0.783
 6777TIP3   OH226639   3.705  -0.506  -0.636
 6777TIP3    H126640   3.784  -0.542  -0.680
 6777TIP3    H226641   3.661  -0.586  -0.604
 6778TIP3   OH226642   3.525   1.173  -2.384
 6778TIP3    H126643   3.500   1.196  -2.293
 6778TIP3    H226644   3.599   1.111  -2.370
 6779TIP3   OH226645  -3.158   2.293  -1.743
 6779TIP3    H126646  -3.163   2.389  -1.735
 6779TIP3    H226647  -3.237   2.274  -1.797
 6780TIP3   OH226648  -3.269   2.234  -1.434
 6780TIP3    H126649  -3.275   2.178  -1.355
 6780TIP3    H226650  -3.301   2.173  -1.503
 6781TIP3   OH226651  -4.025   2.192  -1.273
 6781TIP3    H126652  -4.034   2.120  -1.208
 6781TIP3    H226653  -3.961   2.250  -1.229
 6782TIP3   OH226654  -2.898   2.503  -1.599
 6782TIP3    H126655  -2.948   2.437  -1.550
 6782TIP3    H226656  -2.891   2.575  -1.535
 6783TIP3   OH226657  -3.959   2.656  -1.421
 6783TIP3    H126658  -3.988   2.566  -1.445
 6783TIP3    H226659  -3.866   2.639  -1.399
 6784TIP3   OH226660  -4.174   2.102  -1.944
 6784TIP3    H126661  -4.219   2.166  -1.886
 6784TIP3    H226662  -4.218   2.021  -1.913
 6785TIP3   OH226663  -4.212   2.241  -1.698
 6785TIP3    H126664  -4.188   2.169  -1.637
 6785TIP3    H226665  -4.127   2.273  -1.728
 6786TIP3   OH226666  -3.201   3.043  -1.548
 6786TIP3    H126667  -3.141   2.972  -1.576
 6786TIP3    H226668  -3.230   3.013  -1.461
 6787TIP3   OH226669  -3.425   2.485  -1.378
 6787TIP3    H126670  -3.394   2.414  -1.437
 6787TIP3    H226671  -3.344   2.500  -1.326
 6788TIP3   OH226672  -2.561   1.629  -1.313
 6788TIP3    H126673  -2.525   1.663  -1.230
 6788TIP3    H226674  -2.493   1.658  -1.376
 6789TIP3   OH226675  -3.094   1.920  -1.327
 6789TIP3    H126676  -3.083   1.823  -1.319
 6789TIP3    H226677  -3.107   1.930  -1.423
 6790TIP3   OH226678  -3.798   1.720  -1.620
 6790TIP3    H126679  -3.786   1.806  -1.666
 6790TIP3    H226680  -3.834   1.667  -1.694
 6791TIP3   OH226681  -3.014   1.737  -1.788
 6791TIP3    H126682  -2.957   1.693  -1.721
 6791TIP3    H226683  -2.948   1.781  -1.842
 6792TIP3   OH226684  -4.133   2.000  -1.565
 6792TIP3    H126685  -4.078   1.952  -1.502
 6792TIP3    H226686  -4.125   1.943  -1.643
 6793TIP3   OH226687  -3.591   2.131  -1.623
 6793TIP3    H126688  -3.522   2.075  -1.583
 6793TIP3    H226689  -3.643   2.065  -1.672
 6794TIP3   OH226690  -2.464   1.791  -1.068
 6794TIP3    H126691  -2.542   1.844  -1.088
 6794TIP3    H226692  -2.481   1.765  -0.976
 6795TIP3   OH226693  -3.917   1.603  -1.203
 6795TIP3    H126694  -3.964   1.645  -1.276
 6795TIP3    H226695  -3.980   1.616  -1.130
 6796TIP3   OH226696  -3.168   2.576  -1.862
 6796TIP3    H126697  -3.200   2.552  -1.949
 6796TIP3    H226698  -3.215   2.660  -1.845
 6797TIP3   OH226699  -3.625   2.386  -1.190
 6797TIP3    H126700  -3.699   2.445  -1.164
 6797TIP3    H226701  -3.564   2.449  -1.235
 6798TIP3   OH226702  -2.830   1.661  -1.585
 6798TIP3    H126703  -2.871   1.600  -1.522
 6798TIP3    H226704  -2.780   1.720  -1.525
 6799TIP3   OH226705  -3.957   1.808  -1.413
 6799TIP3    H126706  -3.893   1.864  -1.365
 6799TIP3    H226707  -3.899   1.769  -1.482
 6800TIP3   OH226708  -3.827   2.573  -1.117
 6800TIP3    H126709  -3.830   2.665  -1.149
 6800TIP3    H226710  -3.916   2.567  -1.077
 6801TIP3   OH226711  -4.184   2.535  -2.026
 6801TIP3    H126712  -4.263   2.556  -2.079
 6801TIP3    H226713  -4.189   2.600  -1.953
 6802TIP3   OH226714  -2.842   2.684  -1.356
 6802TIP3    H126715  -2.939   2.693  -1.347
 6802TIP3    H226716  -2.820   2.773  -1.389
 6803TIP3   OH226717  -2.815   1.582  -1.197
 6803TIP3    H126718  -2.890   1.620  -1.247
 6803TIP3    H226719  -2.741   1.595  -1.259
 6804TIP3   OH226720  -3.505   1.348  -1.494
 6804TIP3    H126721  -3.527   1.253  -1.499
 6804TIP3    H226722  -3.588   1.385  -1.456
 6805TIP3   OH226723  -3.016   2.880  -1.692
 6805TIP3    H126724  -2.968   2.805  -1.730
 6805TIP3    H226725  -2.953   2.953  -1.707
 6806TIP3   OH226726  -2.873   2.667  -1.833
 6806TIP3    H126727  -2.925   2.625  -1.904
 6806TIP3    H226728  -2.883   2.602  -1.761
 6807TIP3   OH226729  -2.719   2.551  -0.984
 6807TIP3    H126730  -2.734   2.489  -1.057
 6807TIP3    H226731  -2.715   2.638  -1.029
 6808TIP3   OH226732  -3.296   2.242  -2.015
 6808TIP3    H126733  -3.362   2.303  -2.052
 6808TIP3    H226734  -3.225   2.247  -2.081
 6809TIP3   OH226735  -3.267   2.061  -2.309
 6809TIP3    H126736  -3.197   2.093  -2.249
 6809TIP3    H226737  -3.215   2.003  -2.368
 6810TIP3   OH226738  -2.525   2.186  -1.209
 6810TIP3    H126739  -2.608   2.236  -1.202
 6810TIP3    H226740  -2.504   2.193  -1.303
 6811TIP3   OH226741  -2.943   2.243  -1.908
 6811TIP3    H126742  -3.013   2.265  -1.842
 6811TIP3    H226743  -2.887   2.183  -1.855
 6812TIP3   OH226744  -2.957   2.098  -1.025
 6812TIP3    H126745  -2.957   2.179  -0.972
 6812TIP3    H226746  -3.027   2.122  -1.089
 6813TIP3   OH226747  -3.781   2.321  -1.733
 6813TIP3    H126748  -3.816   2.276  -1.812
 6813TIP3    H226749  -3.719   2.255  -1.698
 6814TIP3   OH226750  -3.647   2.660  -1.457
 6814TIP3    H126751  -3.659   2.622  -1.544
 6814TIP3    H226752  -3.568   2.613  -1.425
 6815TIP3   OH226753  -3.726   2.201  -1.383
 6815TIP3    H126754  -3.668   2.206  -1.461
 6815TIP3    H226755  -3.687   2.268  -1.323
 6816TIP3   OH226756  -3.121   2.747  -1.322
 6816TIP3    H126757  -3.129   2.819  -1.257
 6816TIP3    H226758  -3.154   2.670  -1.275
 6817TIP3   OH226759  -3.642   2.632  -0.898
 6817TIP3    H126760  -3.694   2.698  -0.849
 6817TIP3    H226761  -3.706   2.605  -0.967
 6818TIP3   OH226762  -3.049   2.187  -2.162
 6818TIP3    H126763  -3.002   2.215  -2.081
 6818TIP3    H226764  -2.999   2.238  -2.231
 6819TIP3   OH226765  -3.956   2.266  -0.983
 6819TIP3    H126766  -3.948   2.327  -0.907
 6819TIP3    H226767  -4.053   2.262  -0.994
 6820TIP3   OH226768  -3.300   2.847  -1.806
 6820TIP3    H126769  -3.259   2.879  -1.724
 6820TIP3    H226770  -3.352   2.924  -1.835
 6821TIP3   OH226771  -3.835   2.846  -0.814
 6821TIP3    H126772  -3.844   2.853  -0.911
 6821TIP3    H226773  -3.927   2.830  -0.785
 6822TIP3   OH226774  -2.705   1.362  -2.214
 6822TIP3    H126775  -2.793   1.370  -2.172
 6822TIP3    H226776  -2.671   1.452  -2.206
 6823TIP3   OH226777  -3.891   2.191  -1.980
 6823TIP3    H126778  -3.918   2.268  -2.032
 6823TIP3    H226779  -3.971   2.135  -1.987
 6824TIP3   OH226780  -2.567   2.774  -2.356
 6824TIP3    H126781  -2.552   2.868  -2.336
 6824TIP3    H226782  -2.480   2.735  -2.337
 6825TIP3   OH226783  -4.264   2.474  -1.127
 6825TIP3    H126784  -4.300   2.447  -1.214
 6825TIP3    H226785  -4.306   2.407  -1.070
 6826TIP3   OH226786  -4.284   2.758  -1.429
 6826TIP3    H126787  -4.201   2.711  -1.410
 6826TIP3    H226788  -4.300   2.805  -1.346
 6827TIP3   OH226789  -2.443   2.814  -0.833
 6827TIP3    H126790  -2.455   2.719  -0.847
 6827TIP3    H226791  -2.534   2.841  -0.805
 6828TIP3   OH226792  -3.378   2.737  -0.954
 6828TIP3    H126793  -3.370   2.819  -0.902
 6828TIP3    H226794  -3.468   2.708  -0.932
 6829TIP3   OH226795  -3.348   3.119  -1.957
 6829TIP3    H126796  -3.349   3.129  -2.054
 6829TIP3    H226797  -3.344   3.211  -1.926
 6830TIP3   OH226798  -3.976   3.031  -1.794
 6830TIP3    H126799  -3.953   2.990  -1.708
 6830TIP3    H226800  -4.056   2.980  -1.814
 6831TIP3   OH226801  -3.019   3.061  -2.239
 6831TIP3    H126802  -2.961   2.996  -2.283
 6831TIP3    H226803  -3.024   3.023  -2.148
 6832TIP3   OH226804  -3.080   3.003  -1.958
 6832TIP3    H126805  -3.175   3.019  -1.945
 6832TIP3    H226806  -3.066   2.931  -1.894
 6833TIP3   OH226807  -2.771   1.954  -0.788
 6833TIP3    H126808  -2.815   1.987  -0.867
 6833TIP3    H226809  -2.755   1.860  -0.813
 6834TIP3   OH226810  -4.071   2.615  -0.979
 6834TIP3    H126811  -4.043   2.559  -0.904
 6834TIP3    H226812  -4.146   2.565  -1.017
 6835TIP3   OH226813  -3.748   1.465  -1.404
 6835TIP3    H126814  -3.830   1.453  -1.454
 6835TIP3    H226815  -3.775   1.535  -1.343
 6836TIP3   OH226816  -3.308   1.420  -1.036
 6836TIP3    H126817  -3.257   1.365  -0.973
 6836TIP3    H226818  -3.399   1.386  -1.025
 6837TIP3   OH226819  -2.990   1.796  -0.987
 6837TIP3    H126820  -3.050   1.779  -0.912
 6837TIP3    H226821  -2.998   1.892  -1.001
 6838TIP3   OH226822  -2.893   2.293  -2.362
 6838TIP3    H126823  -2.914   2.277  -2.455
 6838TIP3    H226824  -2.800   2.320  -2.368
 6839TIP3   OH226825  -3.330   1.672  -2.312
 6839TIP3    H126826  -3.379   1.658  -2.229
 6839TIP3    H226827  -3.370   1.604  -2.368
 6840TIP3   OH226828  -3.759   1.943  -1.261
 6840TIP3    H126829  -3.823   1.951  -1.188
 6840TIP3    H226830  -3.757   2.034  -1.298
 6841TIP3   OH226831  -3.769   1.949  -1.775
 6841TIP3    H126832  -3.865   1.944  -1.792
 6841TIP3    H226833  -3.735   1.931  -1.864
 6842TIP3   OH226834  -3.207   2.007  -1.895
 6842TIP3    H126835  -3.249   2.089  -1.930
 6842TIP3    H226836  -3.139   1.990  -1.963
 6843TIP3   OH226837  -3.282   2.023  -0.757
 6843TIP3    H126838  -3.338   1.949  -0.724
 6843TIP3    H226839  -3.197   2.003  -0.715
 6844TIP3   OH226840  -3.117   1.947  -1.619
 6844TIP3    H126841  -3.150   2.003  -1.692
 6844TIP3    H226842  -3.099   1.865  -1.669
 6845TIP3   OH226843  -4.017   1.956  -1.081
 6845TIP3    H126844  -4.001   1.996  -0.994
 6845TIP3    H226845  -4.054   1.869  -1.055
 6846TIP3   OH226846  -3.687   1.718  -2.420
 6846TIP3    H126847  -3.723   1.681  -2.337
 6846TIP3    H226848  -3.766   1.731  -2.473
 6847TIP3   OH226849  -4.312   1.711  -1.720
 6847TIP3    H126850  -4.314   1.697  -1.624
 6847TIP3    H226851  -4.273   1.629  -1.752
 6848TIP3   OH226852  -4.214   1.776  -2.125
 6848TIP3    H126853  -4.150   1.793  -2.197
 6848TIP3    H226854  -4.298   1.791  -2.171
 6849TIP3   OH226855  -3.206   2.113  -1.170
 6849TIP3    H126856  -3.166   2.040  -1.223
 6849TIP3    H226857  -3.247   2.065  -1.097
 6850TIP3   OH226858  -3.490   1.710  -1.670
 6850TIP3    H126859  -3.585   1.704  -1.648
 6850TIP3    H226860  -3.449   1.687  -1.585
 6851TIP3   OH226861  -4.037   1.835  -1.811
 6851TIP3    H126862  -4.127   1.833  -1.846
 6851TIP3    H226863  -4.001   1.751  -1.845
 6852TIP3   OH226864  -3.671   1.862  -2.037
 6852TIP3    H126865  -3.575   1.872  -2.030
 6852TIP3    H226866  -3.697   1.926  -2.106
 6853TIP3   OH226867  -3.051   1.622  -1.369
 6853TIP3    H126868  -3.114   1.622  -1.294
 6853TIP3    H226869  -3.108   1.587  -1.439
 6854TIP3   OH226870  -3.825   1.990  -2.260
 6854TIP3    H126871  -3.883   1.958  -2.330
 6854TIP3    H226872  -3.743   2.009  -2.309
 6855TIP3   OH226873  -2.750   3.199  -0.704
 6855TIP3    H126874  -2.729   3.246  -0.786
 6855TIP3    H226875  -2.682   3.232  -0.644
 6856TIP3   OH226876  -3.952   2.462  -0.761
 6856TIP3    H126877  -3.891   2.467  -0.684
 6856TIP3    H226878  -4.038   2.471  -0.714
 6857TIP3   OH226879  -3.387   1.965  -1.487
 6857TIP3    H126880  -3.318   1.916  -1.535
 6857TIP3    H226881  -3.407   1.903  -1.414
 6858TIP3   OH226882  -3.874   1.599  -1.866
 6858TIP3    H126883  -3.918   1.513  -1.859
 6858TIP3    H226884  -3.790   1.575  -1.909
 6859TIP3   OH226885  -3.489   1.812  -1.268
 6859TIP3    H126886  -3.570   1.865  -1.263
 6859TIP3    H226887  -3.444   1.832  -1.183
 6860TIP3   OH226888  -3.479   2.448  -2.075
 6860TIP3    H126889  -3.555   2.398  -2.110
 6860TIP3    H226890  -3.498   2.452  -1.979
 6861TIP3   OH226891  -2.736   2.371  -1.223
 6861TIP3    H126892  -2.723   2.438  -1.292
 6861TIP3    H226893  -2.829   2.347  -1.242
 6862TIP3   OH226894  -3.062   1.731  -2.299
 6862TIP3    H126895  -3.160   1.728  -2.301
 6862TIP3    H226896  -3.043   1.803  -2.235
 6863TIP3   OH226897  -3.309   2.450  -0.942
 6863TIP3    H126898  -3.343   2.416  -0.858
 6863TIP3    H226899  -3.343   2.541  -0.943
 6864TIP3   OH226900  -2.994   1.913  -2.092
 6864TIP3    H126901  -2.906   1.897  -2.053
 6864TIP3    H226902  -2.983   2.001  -2.134
 6865TIP3   OH226903  -3.974   2.381  -1.501
 6865TIP3    H126904  -3.909   2.370  -1.573
 6865TIP3    H226905  -3.964   2.298  -1.452
 6866TIP3   OH226906  -3.238   2.583  -2.182
 6866TIP3    H126907  -3.264   2.670  -2.144
 6866TIP3    H226908  -3.313   2.528  -2.155
 6867TIP3   OH226909  -4.238   2.230  -0.940
 6867TIP3    H126910  -4.234   2.166  -0.867
 6867TIP3    H226911  -4.284   2.178  -1.009
 6868TIP3   OH226912  -3.540   2.164  -0.766
 6868TIP3    H126913  -3.580   2.137  -0.850
 6868TIP3    H226914  -3.447   2.138  -0.780
 6869TIP3   OH226915  -3.086   2.706  -0.995
 6869TIP3    H126916  -3.183   2.715  -1.002
 6869TIP3    H226917  -3.071   2.733  -0.903
 6870TIP3   OH226918  -2.535   1.911  -2.117
 6870TIP3    H126919  -2.590   1.891  -2.195
 6870TIP3    H226920  -2.523   2.007  -2.132
 6871TIP3   OH226921  -2.491   2.513  -0.835
 6871TIP3    H126922  -2.585   2.537  -0.855
 6871TIP3    H226923  -2.455   2.505  -0.925
 6872TIP3   OH226924  -2.714   2.773  -2.108
 6872TIP3    H126925  -2.734   2.693  -2.057
 6872TIP3    H226926  -2.661   2.739  -2.182
 6873TIP3   OH226927  -2.984   2.305  -1.368
 6873TIP3    H126928  -3.079   2.292  -1.390
 6873TIP3    H226929  -2.945   2.230  -1.417
 6874TIP3   OH226930  -3.726   2.715  -1.767
 6874TIP3    H126931  -3.686   2.802  -1.778
 6874TIP3    H226932  -3.819   2.733  -1.788
 6875TIP3   OH226933  -4.155   2.211  -2.297
 6875TIP3    H126934  -4.081   2.262  -2.257
 6875TIP3    H226935  -4.228   2.270  -2.279
 6876TIP3   OH226936  -3.542   2.484  -1.804
 6876TIP3    H126937  -3.574   2.575  -1.790
 6876TIP3    H226938  -3.614   2.433  -1.763
 6877TIP3   OH226939  -3.526   2.910  -1.170
 6877TIP3    H126940  -3.471   2.985  -1.198
 6877TIP3    H226941  -3.465   2.862  -1.111
 6878TIP3   OH226942  -3.681   3.005  -1.845
 6878TIP3    H126943  -3.777   3.018  -1.837
 6878TIP3    H226944  -3.647   3.093  -1.821
 6879TIP3   OH226945  -3.185   2.484  -1.212
 6879TIP3    H126946  -3.217   2.460  -1.124
 6879TIP3    H226947  -3.113   2.421  -1.226
 6880TIP3   OH226948  -2.968   2.615  -2.321
 6880TIP3    H126949  -2.927   2.569  -2.245
 6880TIP3    H226950  -3.062   2.602  -2.297
 6881TIP3   OH226951  -2.889   2.941  -0.976
 6881TIP3    H126952  -2.967   2.898  -1.015
 6881TIP3    H226953  -2.882   3.023  -1.028
 6882TIP3   OH226954  -2.496   3.041  -2.267
 6882TIP3    H126955  -2.425   3.105  -2.288
 6882TIP3    H226956  -2.572   3.102  -2.267
 6883TIP3   OH226957  -4.103   1.690  -0.996
 6883TIP3    H126958  -4.185   1.715  -1.043
 6883TIP3    H226959  -4.122   1.601  -0.962
 6884TIP3   OH226960  -2.872   2.478  -2.081
 6884TIP3    H126961  -2.900   2.405  -2.023
 6884TIP3    H226962  -2.775   2.474  -2.073
 6885TIP3   OH226963  -4.127   2.857  -1.161
 6885TIP3    H126964  -4.109   2.762  -1.149
 6885TIP3    H226965  -4.097   2.892  -1.076
 6886TIP3   OH226966  -3.544   2.720  -2.463
 6886TIP3    H126967  -3.516   2.641  -2.512
 6886TIP3    H226968  -3.587   2.680  -2.385
 6887TIP3   OH226969  -3.662   2.672  -2.192
 6887TIP3    H126970  -3.611   2.619  -2.128
 6887TIP3    H226971  -3.647   2.763  -2.159
 6888TIP3   OH226972  -3.987   2.414  -2.159
 6888TIP3    H126973  -4.057   2.453  -2.101
 6888TIP3    H226974  -3.938   2.494  -2.181
 6889TIP3   OH226975  -3.209   1.666  -1.146
 6889TIP3    H126976  -3.143   1.685  -1.078
 6889TIP3    H226977  -3.258   1.590  -1.108
 6890TIP3   OH226978  -3.146   1.607  -2.024
 6890TIP3    H126979  -3.128   1.660  -2.103
 6890TIP3    H226980  -3.101   1.657  -1.954
 6891TIP3   OH226981  -3.365   2.834  -2.128
 6891TIP3    H126982  -3.447   2.883  -2.111
 6891TIP3    H226983  -3.330   2.881  -2.205
 6892TIP3   OH226984  -3.405   1.806  -1.929
 6892TIP3    H126985  -3.329   1.867  -1.915
 6892TIP3    H226986  -3.434   1.790  -1.837
 6893TIP3   OH226987  -3.369   1.896  -1.012
 6893TIP3    H126988  -3.360   1.948  -0.931
 6893TIP3    H226989  -3.313   1.820  -0.996
 6894TIP3   OH226990  -3.346   1.508  -1.835
 6894TIP3    H126991  -3.365   1.577  -1.769
 6894TIP3    H226992  -3.273   1.550  -1.886
 6895TIP3   OH226993  -3.644   2.942  -2.129
 6895TIP3    H126994  -3.652   3.023  -2.183
 6895TIP3    H226995  -3.658   2.977  -2.039
 6896TIP3   OH226996  -3.774   1.610  -2.178
 6896TIP3    H126997  -3.766   1.689  -2.122
 6896TIP3    H226998  -3.693   1.561  -2.153
 6897TIP3   OH226999  -2.725   1.710  -0.914
 6897TIP3    H127000  -2.820   1.703  -0.932
 6897TIP3    H227001  -2.691   1.660  -0.990
 6898TIP3   OH227002  -2.884   2.078  -1.519
 6898TIP3    H127003  -2.968   2.037  -1.546
 6898TIP3    H227004  -2.839   2.003  -1.474
 6899TIP3   OH227005  -3.931   2.699  -2.276
 6899TIP3    H127006  -3.855   2.742  -2.234
 6899TIP3    H227007  -3.885   2.643  -2.340
 6900TIP3   OH227008  -4.114   1.911  -2.359
 6900TIP3    H127009  -4.106   2.006  -2.339
 6900TIP3    H227010  -4.194   1.905  -2.411
 6901TIP3   OH227011  -2.783   2.962  -1.385
 6901TIP3    H127012  -2.808   3.042  -1.436
 6901TIP3    H227013  -2.693   2.987  -1.358
 6902TIP3   OH227014  -4.023   1.409  -1.489
 6902TIP3    H127015  -4.059   1.407  -1.579
 6902TIP3    H227016  -4.067   1.330  -1.449
 6903TIP3   OH227017  -4.136   2.774  -1.860
 6903TIP3    H127018  -4.226   2.810  -1.853
 6903TIP3    H227019  -4.104   2.817  -1.941
 6904TIP3   OH227020  -4.213   3.053  -0.738
 6904TIP3    H127021  -4.151   3.052  -0.664
 6904TIP3    H227022  -4.217   2.957  -0.752
 6905TIP3   OH227023  -3.724   2.965  -0.565
 6905TIP3    H127024  -3.657   2.899  -0.545
 6905TIP3    H227025  -3.750   2.939  -0.654
 6906TIP3   OH227026  -3.322   2.890  -2.412
 6906TIP3    H127027  -3.398   2.829  -2.423
 6906TIP3    H227028  -3.252   2.836  -2.451
 6907TIP3   OH227029  -3.077   2.790  -0.709
 6907TIP3    H127030  -3.119   2.711  -0.669
 6907TIP3    H227031  -3.011   2.814  -0.642
 6908TIP3   OH227032  -2.860   2.881  -2.402
 6908TIP3    H127033  -2.844   2.800  -2.352
 6908TIP3    H227034  -2.782   2.887  -2.459
 6909TIP3   OH227035  -4.199   2.454  -0.677
 6909TIP3    H127036  -4.190   2.366  -0.715
 6909TIP3    H227037  -4.287   2.481  -0.707
 6910TIP3   OH227038  -3.781   2.463  -2.429
 6910TIP3    H127039  -3.762   2.405  -2.353
 6910TIP3    H227040  -3.695   2.461  -2.476
 6911TIP3   OH227041  -3.537   2.441  -0.698
 6911TIP3    H127042  -3.570   2.474  -0.783
 6911TIP3    H227043  -3.532   2.344  -0.713
 6912TIP3   OH227044  -3.256   2.596  -2.468
 6912TIP3    H127045  -3.261   2.592  -2.371
 6912TIP3    H227046  -3.261   2.501  -2.489
 6913TIP3   OH227047  -2.999   2.401  -0.960
 6913TIP3    H127048  -2.925   2.463  -0.970
 6913TIP3    H227049  -3.074   2.462  -0.959
 6914TIP3   OH227050  -4.134   2.129  -0.698
 6914TIP3    H127051  -4.056   2.072  -0.710
 6914TIP3    H227052  -4.124   2.157  -0.605
 6915TIP3   OH227053  -3.674   2.273  -2.195
 6915TIP3    H127054  -3.735   2.223  -2.139
 6915TIP3    H227055  -3.644   2.204  -2.258
 6916TIP3   OH227056  -3.747   2.051  -0.964
 6916TIP3    H127057  -3.807   2.127  -0.953
 6916TIP3    H227058  -3.687   2.083  -1.034
 6917TIP3   OH227059  -3.576   2.074  -2.370
 6917TIP3    H127060  -3.579   2.083  -2.467
 6917TIP3    H227061  -3.480   2.070  -2.354
 6918TIP3   OH227062  -3.219   2.320  -0.615
 6918TIP3    H127063  -3.129   2.301  -0.645
 6918TIP3    H227064  -3.246   2.235  -0.577
 6919TIP3   OH227065  -2.625   2.325  -2.437
 6919TIP3    H127066  -2.634   2.283  -2.524
 6919TIP3    H227067  -2.635   2.419  -2.461
 6920TIP3   OH227068  -3.687   1.780  -0.854
 6920TIP3    H127069  -3.684   1.712  -0.924
 6920TIP3    H227070  -3.710   1.859  -0.906
 6921TIP3   OH227071  -3.657   1.626  -1.110
 6921TIP3    H127072  -3.607   1.676  -1.176
 6921TIP3    H227073  -3.749   1.627  -1.146
 6922TIP3   OH227074  -3.497   2.171  -1.069
 6922TIP3    H127075  -3.417   2.163  -1.122
 6922TIP3    H227076  -3.533   2.256  -1.101
 6923TIP3   OH227077  -3.044   1.941  -0.579
 6923TIP3    H127078  -3.016   1.849  -0.596
 6923TIP3    H227079  -2.959   1.988  -0.585
 6924TIP3   OH227080  -2.949   2.242  -0.739
 6924TIP3    H127081  -2.981   2.302  -0.810
 6924TIP3    H227082  -2.862   2.218  -0.775
 6925TIP3   OH227083  -3.875   1.966  -0.676
 6925TIP3    H127084  -3.929   1.884  -0.677
 6925TIP3    H227085  -3.797   1.937  -0.725
 6926TIP3   OH227086  -3.583   1.358  -1.077
 6926TIP3    H127087  -3.604   1.453  -1.092
 6926TIP3    H227088  -3.654   1.315  -1.129
 6927TIP3   OH227089  -3.457   1.815  -0.691
 6927TIP3    H127090  -3.502   1.792  -0.608
 6927TIP3    H227091  -3.530   1.795  -0.754
 6928TIP3   OH227092  -3.196   1.716  -0.804
 6928TIP3    H127093  -3.289   1.718  -0.776
 6928TIP3    H227094  -3.158   1.658  -0.736
 6929TIP3   OH227095  -3.027   1.602  -0.564
 6929TIP3    H127096  -3.026   1.508  -0.591
 6929TIP3    H227097  -3.095   1.603  -0.495
 6930TIP3   OH227098  -4.008   1.712  -0.694
 6930TIP3    H127099  -4.016   1.640  -0.758
 6930TIP3    H227100  -4.031   1.667  -0.611
 6931TIP3   OH227101  -3.594   1.312  -0.791
 6931TIP3    H127102  -3.541   1.231  -0.786
 6931TIP3    H227103  -3.601   1.323  -0.888
 6932TIP3   OH227104  -3.494   1.503  -0.610
 6932TIP3    H127105  -3.523   1.438  -0.677
 6932TIP3    H227106  -3.572   1.559  -0.600
 6933TIP3   OH227107  -3.600   3.198  -2.260
 6933TIP3    H127108  -3.504   3.208  -2.249
 6933TIP3    H227109  -3.613   3.241  -2.345
 6934TIP3   OH227110  -4.199   2.687  -2.353
 6934TIP3    H127111  -4.122   2.682  -2.293
 6934TIP3    H227112  -4.217   2.594  -2.373
 6935TIP3   OH227113  -4.273   2.964  -1.640
 6935TIP3    H127114  -4.276   2.876  -1.599
 6935TIP3    H227115  -4.244   3.016  -1.564
 6936TIP3   OH227116  -2.517   3.081  -1.335
 6936TIP3    H127117  -2.499   3.081  -1.239
 6936TIP3    H227118  -2.433   3.116  -1.368
 6937TIP3   OH227119  -2.527   3.030  -1.045
 6937TIP3    H127120  -2.575   2.954  -1.082
 6937TIP3    H227121  -2.469   2.985  -0.981
 6938TIP3   OH227122  -2.726   2.571  -0.617
 6938TIP3    H127123  -2.815   2.581  -0.578
 6938TIP3    H227124  -2.680   2.651  -0.586
 6939TIP3   OH227125  -2.588   2.461  -2.042
 6939TIP3    H127126  -2.497   2.496  -2.029
 6939TIP3    H227127  -2.593   2.397  -1.970
 6940TIP3   OH227128  -2.534   2.257  -1.838
 6940TIP3    H127129  -2.607   2.201  -1.805
 6940TIP3    H227130  -2.476   2.264  -1.760
 6941TIP3   OH227131  -2.700   2.793  -1.120
 6941TIP3    H127132  -2.767   2.843  -1.071
 6941TIP3    H227133  -2.748   2.768  -1.201
 6942TIP3   OH227134  -2.517   2.203  -2.186
 6942TIP3    H127135  -2.566   2.229  -2.266
 6942TIP3    H227136  -2.527   2.282  -2.132
 6943TIP3   OH227137  -2.686   1.958  -2.361
 6943TIP3    H127138  -2.662   2.018  -2.433
 6943TIP3    H227139  -2.711   1.877  -2.409
 6944TIP3   OH227140  -2.743   2.073  -1.764
 6944TIP3    H127141  -2.750   1.978  -1.783
 6944TIP3    H227142  -2.784   2.079  -1.675
 6945TIP3   OH227143  -4.263   2.308  -1.373
 6945TIP3    H127144  -4.236   2.324  -1.465
 6945TIP3    H227145  -4.179   2.277  -1.334
 6946TIP3   OH227146  -2.681   2.260  -0.852
 6946TIP3    H127147  -2.610   2.196  -0.831
 6946TIP3    H227148  -2.633   2.343  -0.861
 6947TIP3   OH227149  -2.523   2.059  -0.741
 6947TIP3    H127150  -2.607   2.011  -0.753
 6947TIP3    H227151  -2.460   1.985  -0.737
 6948TIP3   OH227152  -2.740   1.693  -2.441
 6948TIP3    H127153  -2.682   1.643  -2.381
 6948TIP3    H227154  -2.820   1.639  -2.447
 6949TIP3   OH227155  -2.758   1.822  -1.945
 6949TIP3    H127156  -2.736   1.727  -1.940
 6949TIP3    H227157  -2.678   1.856  -1.988
 6950TIP3   OH227158  -2.732   1.876  -1.401
 6950TIP3    H127159  -2.634   1.883  -1.402
 6950TIP3    H227160  -2.747   1.872  -1.306
 6951TIP3   OH227161  -2.714   1.957  -1.121
 6951TIP3    H127162  -2.802   1.988  -1.093
 6951TIP3    H227163  -2.668   2.040  -1.140
 6952TIP3   OH227164  -4.280   1.819  -0.740
 6952TIP3    H127165  -4.197   1.776  -0.765
 6952TIP3    H227166  -4.346   1.748  -0.742
 6953TIP3   OH227167  -2.712   1.542  -1.949
 6953TIP3    H127168  -2.701   1.507  -1.859
 6953TIP3    H227169  -2.792   1.492  -1.979
 6954TIP3   OH227170  -4.196   1.674  -1.436
 6954TIP3    H127171  -4.166   1.583  -1.445
 6954TIP3    H227172  -4.113   1.724  -1.428
 6955TIP3   OH227173  -4.348   1.957  -1.377
 6955TIP3    H127174  -4.326   1.883  -1.436
 6955TIP3    H227175  -4.281   2.021  -1.400
 6956TIP3   OH227176  -2.515   1.590  -2.282
 6956TIP3    H127177  -2.485   1.510  -2.327
 6956TIP3    H227178  -2.433   1.642  -2.275
 6957TIP3   OH227179  -4.313   1.542  -2.013
 6957TIP3    H127180  -4.400   1.572  -2.045
 6957TIP3    H227181  -4.256   1.617  -2.038
 6958TIP3   OH227182  -2.827   3.086  -1.753
 6958TIP3    H127183  -2.781   3.066  -1.836
 6958TIP3    H227184  -2.759   3.131  -1.702
 6959TIP3   OH227185  -4.296   1.430  -1.176
 6959TIP3    H127186  -4.360   1.431  -1.101
 6959TIP3    H227187  -4.332   1.495  -1.239
 6960TIP3   OH227188  -4.116   2.794  -0.703
 6960TIP3    H127189  -4.170   2.733  -0.755
 6960TIP3    H227190  -4.132   2.760  -0.612
 6961TIP3   OH227191  -3.801   2.860  -1.112
 6961TIP3    H127192  -3.834   2.943  -1.150
 6961TIP3    H227193  -3.706   2.869  -1.131
 6962TIP3   OH227194  -3.351   2.988  -0.813
 6962TIP3    H127195  -3.338   2.973  -0.718
 6962TIP3    H227196  -3.268   3.035  -0.837
 6963TIP3   OH227197  -3.122   3.135  -0.889
 6963TIP3    H127198  -3.054   3.070  -0.909
 6963TIP3    H227199  -3.093   3.167  -0.802
 6964TIP3   OH227200  -2.620   1.417  -0.980
 6964TIP3    H127201  -2.701   1.435  -1.029
 6964TIP3    H227202  -2.594   1.332  -1.016
 6965TIP3   OH227203  -4.069   3.165  -1.089
 6965TIP3    H127204  -4.139   3.214  -1.137
 6965TIP3    H227205  -4.101   3.173  -0.998
 6966TIP3   OH227206  -3.818   3.132  -1.224
 6966TIP3    H127207  -3.905   3.150  -1.183
 6966TIP3    H227208  -3.815   3.199  -1.295
 6967TIP3   OH227209  -3.340   3.132  -1.270
 6967TIP3    H127210  -3.380   3.176  -1.347
 6967TIP3    H227211  -3.333   3.206  -1.207
 6968TIP3   OH227212  -3.108   3.002  -1.179
 6968TIP3    H127213  -3.193   3.039  -1.210
 6968TIP3    H227214  -3.052   3.081  -1.179
 6969TIP3   OH227215  -2.855   3.175  -1.160
 6969TIP3    H127216  -2.860   3.272  -1.177
 6969TIP3    H227217  -2.827   3.144  -1.247
 6970TIP3   OH227218  -4.125   3.041  -1.391
 6970TIP3    H127219  -4.135   2.995  -1.305
 6970TIP3    H227220  -4.049   2.992  -1.429
 6971TIP3   OH227221  -3.909   2.913  -1.541
 6971TIP3    H127222  -3.927   2.821  -1.513
 6971TIP3    H227223  -3.820   2.928  -1.507
 6972TIP3   OH227224  -3.628   2.956  -1.454
 6972TIP3    H127225  -3.613   2.862  -1.476
 6972TIP3    H227226  -3.624   2.953  -1.358
 6973TIP3   OH227227  -3.297   1.545  -1.523
 6973TIP3    H127228  -3.366   1.477  -1.507
 6973TIP3    H227229  -3.237   1.497  -1.583
 6974TIP3   OH227230  -2.796   1.351  -1.477
 6974TIP3    H127231  -2.725   1.397  -1.526
 6974TIP3    H227232  -2.875   1.372  -1.529
 6975TIP3   OH227233  -2.593   1.455  -1.692
 6975TIP3    H127234  -2.520   1.415  -1.742
 6975TIP3    H227235  -2.561   1.546  -1.679
 6976TIP3   OH227236  -4.106   1.403  -1.773
 6976TIP3    H127237  -4.181   1.371  -1.825
 6976TIP3    H227238  -4.045   1.327  -1.779
 6977TIP3   OH227239  -4.184   1.363  -2.192
 6977TIP3    H127240  -4.131   1.430  -2.239
 6977TIP3    H227241  -4.233   1.418  -2.128
 6978TIP3   OH227242  -3.616   1.402  -1.779
 6978TIP3    H127243  -3.523   1.427  -1.793
 6978TIP3    H227244  -3.618   1.389  -1.684
 6979TIP3   OH227245  -3.055   1.402  -1.638
 6979TIP3    H127246  -3.029   1.384  -1.729
 6979TIP3    H227247  -3.095   1.317  -1.612
 6980TIP3   OH227248  -2.944   1.402  -2.042
 6980TIP3    H127249  -3.027   1.452  -2.055
 6980TIP3    H227250  -2.979   1.313  -2.024
 6981TIP3   OH227251  -4.189   2.965  -2.084
 6981TIP3    H127252  -4.249   2.947  -2.156
 6981TIP3    H227253  -4.183   3.062  -2.086
 6982TIP3   OH227254  -4.005   1.553  -2.335
 6982TIP3    H127255  -3.948   1.493  -2.385
 6982TIP3    H227256  -3.944   1.582  -2.265
 6983TIP3   OH227257  -3.498   1.566  -2.075
 6983TIP3    H127258  -3.466   1.507  -2.006
 6983TIP3    H227259  -3.478   1.652  -2.035
 6984TIP3   OH227260  -3.295   3.143  -2.251
 6984TIP3    H127261  -3.198   3.145  -2.256
 6984TIP3    H227262  -3.315   3.078  -2.320
 6985TIP3   OH227263  -2.647   3.046  -1.992
 6985TIP3    H127264  -2.668   2.963  -2.037
 6985TIP3    H227265  -2.646   3.109  -2.066
 6986TIP3   OH227266  -4.079   1.443  -0.816
 6986TIP3    H127267  -4.125   1.367  -0.778
 6986TIP3    H227268  -3.988   1.426  -0.787
 6987TIP3   OH227269  -3.842   1.380  -0.639
 6987TIP3    H127270  -3.761   1.342  -0.680
 6987TIP3    H227271  -3.878   1.301  -0.595
 6988TIP3   OH227272  -4.012   3.065  -2.386
 6988TIP3    H127273  -4.040   3.082  -2.295
 6988TIP3    H227274  -3.941   2.999  -2.373
 6989TIP3   OH227275  -3.012   1.322  -0.621
 6989TIP3    H127276  -3.016   1.264  -0.543
 6989TIP3    H227277  -2.924   1.297  -0.658
 6990TIP3   OH227278  -2.694   2.922  -0.756
 6990TIP3    H127279  -2.769   2.904  -0.816
 6990TIP3    H227280  -2.710   3.016  -0.734
 6991TIP3   OH227281  -1.275   2.290  -1.741
 6991TIP3    H127282  -1.275   2.386  -1.730
 6991TIP3    H227283  -1.352   2.278  -1.799
 6992TIP3   OH227284  -1.391   2.234  -1.433
 6992TIP3    H127285  -1.389   2.176  -1.355
 6992TIP3    H227286  -1.416   2.172  -1.503
 6993TIP3   OH227287  -2.167   2.201  -1.276
 6993TIP3    H127288  -2.168   2.123  -1.218
 6993TIP3    H227289  -2.091   2.249  -1.240
 6994TIP3   OH227290  -1.021   2.507  -1.602
 6994TIP3    H127291  -1.059   2.437  -1.547
 6994TIP3    H227292  -0.994   2.572  -1.535
 6995TIP3   OH227293  -2.079   2.644  -1.422
 6995TIP3    H127294  -2.063   2.550  -1.442
 6995TIP3    H227295  -1.990   2.666  -1.387
 6996TIP3   OH227296  -2.379   2.005  -1.875
 6996TIP3    H127297  -2.427   2.089  -1.877
 6996TIP3    H227298  -2.443   1.945  -1.916
 6997TIP3   OH227299  -2.316   2.266  -1.644
 6997TIP3    H127300  -2.303   2.176  -1.608
 6997TIP3    H227301  -2.251   2.266  -1.715
 6998TIP3   OH227302  -1.324   3.036  -1.549
 6998TIP3    H127303  -1.255   2.974  -1.578
 6998TIP3    H227304  -1.340   3.009  -1.458
 6999TIP3   OH227305  -1.541   2.485  -1.377
 6999TIP3    H127306  -1.508   2.413  -1.433
 6999TIP3    H227307  -1.459   2.502  -1.326
 7000TIP3   OH227308  -0.685   1.638  -1.281
 7000TIP3    H127309  -0.647   1.690  -1.210
 7000TIP3    H227310  -0.622   1.653  -1.352
 7001TIP3   OH227311  -1.217   1.919  -1.327
 7001TIP3    H127312  -1.189   1.826  -1.322
 7001TIP3    H227313  -1.220   1.933  -1.423
 7002TIP3   OH227314  -1.916   1.732  -1.626
 7002TIP3    H127315  -1.902   1.816  -1.675
 7002TIP3    H227316  -1.953   1.678  -1.698
 7003TIP3   OH227317  -1.128   1.735  -1.788
 7003TIP3    H127318  -1.071   1.694  -1.718
 7003TIP3    H227319  -1.061   1.780  -1.841
 7004TIP3   OH227320  -2.248   1.993  -1.569
 7004TIP3    H127321  -2.184   1.942  -1.516
 7004TIP3    H227322  -2.240   1.947  -1.655
 7005TIP3   OH227323  -1.713   2.132  -1.616
 7005TIP3    H127324  -1.639   2.079  -1.581
 7005TIP3    H227325  -1.759   2.067  -1.672
 7006TIP3   OH227326  -2.039   1.632  -1.195
 7006TIP3    H127327  -2.063   1.693  -1.267
 7006TIP3    H227328  -2.114   1.642  -1.135
 7007TIP3   OH227329  -1.286   2.573  -1.863
 7007TIP3    H127330  -1.314   2.555  -1.954
 7007TIP3    H227331  -1.328   2.659  -1.845
 7008TIP3   OH227332  -1.741   2.387  -1.191
 7008TIP3    H127333  -1.814   2.447  -1.167
 7008TIP3    H227334  -1.677   2.447  -1.234
 7009TIP3   OH227335  -0.948   1.661  -1.582
 7009TIP3    H127336  -0.978   1.593  -1.519
 7009TIP3    H227337  -0.893   1.716  -1.523
 7010TIP3   OH227338  -2.073   1.803  -1.413
 7010TIP3    H127339  -2.010   1.862  -1.367
 7010TIP3    H227340  -2.019   1.776  -1.490
 7011TIP3   OH227341  -1.946   2.575  -1.125
 7011TIP3    H127342  -1.944   2.670  -1.145
 7011TIP3    H227343  -2.027   2.570  -1.071
 7012TIP3   OH227344  -2.314   2.546  -2.027
 7012TIP3    H127345  -2.328   2.590  -2.113
 7012TIP3    H227346  -2.295   2.620  -1.967
 7013TIP3   OH227347  -0.965   2.690  -1.354
 7013TIP3    H127348  -1.061   2.701  -1.352
 7013TIP3    H227349  -0.937   2.776  -1.389
 7014TIP3   OH227350  -1.634   1.332  -1.487
 7014TIP3    H127351  -1.653   1.238  -1.474
 7014TIP3    H227352  -1.717   1.375  -1.457
 7015TIP3   OH227353  -1.133   2.882  -1.695
 7015TIP3    H127354  -1.083   2.806  -1.729
 7015TIP3    H227355  -1.069   2.955  -1.709
 7016TIP3   OH227356  -0.987   2.666  -1.836
 7016TIP3    H127357  -1.043   2.623  -1.902
 7016TIP3    H227358  -0.996   2.605  -1.760
 7017TIP3   OH227359  -0.842   2.547  -0.987
 7017TIP3    H127360  -0.849   2.485  -1.061
 7017TIP3    H227361  -0.830   2.633  -1.032
 7018TIP3   OH227362  -1.413   2.242  -2.016
 7018TIP3    H127363  -1.477   2.305  -2.054
 7018TIP3    H227364  -1.339   2.250  -2.079
 7019TIP3   OH227365  -1.379   2.053  -2.307
 7019TIP3    H127366  -1.312   2.091  -2.247
 7019TIP3    H227367  -1.323   2.007  -2.370
 7020TIP3   OH227368  -0.641   2.183  -1.173
 7020TIP3    H127369  -0.726   2.232  -1.176
 7020TIP3    H227370  -0.605   2.205  -1.261
 7021TIP3   OH227371  -1.059   2.241  -1.908
 7021TIP3    H127372  -1.126   2.264  -1.840
 7021TIP3    H227373  -0.998   2.186  -1.855
 7022TIP3   OH227374  -1.069   2.088  -1.003
 7022TIP3    H127375  -1.060   2.173  -0.958
 7022TIP3    H227376  -1.131   2.112  -1.074
 7023TIP3   OH227377  -1.907   2.319  -1.725
 7023TIP3    H127378  -1.933   2.278  -1.810
 7023TIP3    H227379  -1.837   2.257  -1.695
 7024TIP3   OH227380  -1.768   2.654  -1.455
 7024TIP3    H127381  -1.770   2.623  -1.546
 7024TIP3    H227382  -1.686   2.614  -1.422
 7025TIP3   OH227383  -1.854   2.203  -1.378
 7025TIP3    H127384  -1.795   2.199  -1.456
 7025TIP3    H227385  -1.807   2.264  -1.318
 7026TIP3   OH227386  -1.247   2.751  -1.323
 7026TIP3    H127387  -1.244   2.820  -1.255
 7026TIP3    H227388  -1.267   2.670  -1.273
 7027TIP3   OH227389  -1.757   2.633  -0.894
 7027TIP3    H127390  -1.809   2.702  -0.849
 7027TIP3    H227391  -1.819   2.606  -0.964
 7028TIP3   OH227392  -1.164   2.187  -2.162
 7028TIP3    H127393  -1.117   2.215  -2.081
 7028TIP3    H227394  -1.114   2.238  -2.231
 7029TIP3   OH227395  -2.066   2.276  -0.992
 7029TIP3    H127396  -2.057   2.326  -0.909
 7029TIP3    H227397  -2.161   2.256  -0.993
 7030TIP3   OH227398  -1.414   2.848  -1.805
 7030TIP3    H127399  -1.368   2.876  -1.724
 7030TIP3    H227400  -1.476   2.921  -1.820
 7031TIP3   OH227401  -1.943   2.845  -0.818
 7031TIP3    H127402  -1.958   2.857  -0.913
 7031TIP3    H227403  -2.033   2.825  -0.783
 7032TIP3   OH227404  -0.824   1.362  -2.217
 7032TIP3    H127405  -0.906   1.373  -2.167
 7032TIP3    H227406  -0.783   1.450  -2.209
 7033TIP3   OH227407  -2.008   2.196  -1.978
 7033TIP3    H127408  -2.028   2.271  -2.038
 7033TIP3    H227409  -2.072   2.130  -2.008
 7034TIP3   OH227410  -0.681   2.774  -2.359
 7034TIP3    H127411  -0.667   2.868  -2.336
 7034TIP3    H227412  -0.594   2.735  -2.337
 7035TIP3   OH227413  -2.398   2.453  -1.145
 7035TIP3    H127414  -2.479   2.425  -1.190
 7035TIP3    H227415  -2.376   2.372  -1.097
 7036TIP3   OH227416  -0.560   2.813  -0.838
 7036TIP3    H127417  -0.572   2.717  -0.848
 7036TIP3    H227418  -0.649   2.838  -0.803
 7037TIP3   OH227419  -1.491   2.736  -0.952
 7037TIP3    H127420  -1.482   2.820  -0.902
 7037TIP3    H227421  -1.582   2.709  -0.930
 7038TIP3   OH227422  -2.081   3.028  -1.800
 7038TIP3    H127423  -2.067   2.991  -1.711
 7038TIP3    H227424  -2.170   2.997  -1.821
 7039TIP3   OH227425  -1.124   3.064  -2.241
 7039TIP3    H127426  -1.072   2.993  -2.283
 7039TIP3    H227427  -1.139   3.030  -2.151
 7040TIP3   OH227428  -1.200   3.004  -1.963
 7040TIP3    H127429  -1.293   3.027  -1.949
 7040TIP3    H227430  -1.187   2.937  -1.894
 7041TIP3   OH227431  -2.181   2.614  -0.977
 7041TIP3    H127432  -2.153   2.568  -0.895
 7041TIP3    H227433  -2.248   2.556  -1.014
 7042TIP3   OH227434  -1.864   1.476  -1.422
 7042TIP3    H127435  -1.945   1.426  -1.432
 7042TIP3    H227436  -1.896   1.567  -1.413
 7043TIP3   OH227437  -1.431   1.396  -1.016
 7043TIP3    H127438  -1.379   1.369  -0.938
 7043TIP3    H227439  -1.516   1.356  -0.995
 7044TIP3   OH227440  -1.144   1.790  -0.962
 7044TIP3    H127441  -1.145   1.772  -0.867
 7044TIP3    H227442  -1.111   1.882  -0.967
 7045TIP3   OH227443  -1.008   2.291  -2.362
 7045TIP3    H127444  -1.028   2.277  -2.457
 7045TIP3    H227445  -0.915   2.321  -2.366
 7046TIP3   OH227446  -1.452   1.646  -2.326
 7046TIP3    H127447  -1.495   1.668  -2.242
 7046TIP3    H227448  -1.507   1.572  -2.353
 7047TIP3   OH227449  -1.881   1.939  -1.265
 7047TIP3    H127450  -1.934   1.949  -1.184
 7047TIP3    H227451  -1.871   2.031  -1.296
 7048TIP3   OH227452  -1.882   1.958  -1.780
 7048TIP3    H127453  -1.978   1.950  -1.798
 7048TIP3    H227454  -1.846   1.935  -1.868
 7049TIP3   OH227455  -1.323   2.006  -1.897
 7049TIP3    H127456  -1.363   2.089  -1.931
 7049TIP3    H227457  -1.253   1.991  -1.963
 7050TIP3   OH227458  -1.404   2.027  -0.753
 7050TIP3    H127459  -1.451   1.944  -0.728
 7050TIP3    H227460  -1.316   2.012  -0.715
 7051TIP3   OH227461  -1.236   1.946  -1.618
 7051TIP3    H127462  -1.264   2.003  -1.692
 7051TIP3    H227463  -1.213   1.865  -1.668
 7052TIP3   OH227464  -2.145   1.944  -1.084
 7052TIP3    H127465  -2.115   1.977  -0.998
 7052TIP3    H227466  -2.214   1.880  -1.059
 7053TIP3   OH227467  -1.790   1.694  -2.421
 7053TIP3    H127468  -1.833   1.663  -2.339
 7053TIP3    H227469  -1.865   1.727  -2.471
 7054TIP3   OH227470  -2.447   1.711  -1.708
 7054TIP3    H127471  -2.386   1.686  -1.635
 7054TIP3    H227472  -2.409   1.666  -1.785
 7055TIP3   OH227473  -2.297   1.748  -2.143
 7055TIP3    H127474  -2.243   1.796  -2.209
 7055TIP3    H227475  -2.368   1.812  -2.126
 7056TIP3   OH227476  -1.320   2.115  -1.167
 7056TIP3    H127477  -1.278   2.043  -1.219
 7056TIP3    H227478  -1.353   2.066  -1.090
 7057TIP3   OH227479  -1.605   1.706  -1.671
 7057TIP3    H127480  -1.699   1.706  -1.650
 7057TIP3    H227481  -1.565   1.687  -1.584
 7058TIP3   OH227482  -2.144   1.832  -1.810
 7058TIP3    H127483  -2.229   1.854  -1.852
 7058TIP3    H227484  -2.119   1.748  -1.853
 7059TIP3   OH227485  -1.784   1.864  -2.035
 7059TIP3    H127486  -1.687   1.875  -2.030
 7059TIP3    H227487  -1.811   1.921  -2.108
 7060TIP3   OH227488  -1.168   1.618  -1.369
 7060TIP3    H127489  -1.237   1.630  -1.301
 7060TIP3    H227490  -1.222   1.588  -1.444
 7061TIP3   OH227491  -1.936   1.982  -2.259
 7061TIP3    H127492  -1.997   1.961  -2.333
 7061TIP3    H227493  -1.857   2.008  -2.309
 7062TIP3   OH227494  -0.865   3.199  -0.702
 7062TIP3    H127495  -0.844   3.246  -0.785
 7062TIP3    H227496  -0.795   3.232  -0.643
 7063TIP3   OH227497  -2.073   2.462  -0.759
 7063TIP3    H127498  -2.007   2.474  -0.688
 7063TIP3    H227499  -2.154   2.459  -0.704
 7064TIP3   OH227500  -1.505   1.961  -1.492
 7064TIP3    H127501  -1.428   1.921  -1.535
 7064TIP3    H227502  -1.519   1.902  -1.415
 7065TIP3   OH227503  -1.985   1.595  -1.870
 7065TIP3    H127504  -2.033   1.515  -1.844
 7065TIP3    H227505  -1.905   1.560  -1.910
 7066TIP3   OH227506  -1.603   1.809  -1.264
 7066TIP3    H127507  -1.683   1.865  -1.263
 7066TIP3    H227508  -1.557   1.837  -1.182
 7067TIP3   OH227509  -1.594   2.449  -2.077
 7067TIP3    H127510  -1.671   2.399  -2.111
 7067TIP3    H227511  -1.613   2.453  -1.980
 7068TIP3   OH227512  -0.869   2.360  -1.201
 7068TIP3    H127513  -0.819   2.414  -1.265
 7068TIP3    H227514  -0.955   2.350  -1.248
 7069TIP3   OH227515  -1.183   1.729  -2.297
 7069TIP3    H127516  -1.281   1.730  -2.303
 7069TIP3    H227517  -1.162   1.803  -2.237
 7070TIP3   OH227518  -1.431   2.447  -0.944
 7070TIP3    H127519  -1.457   2.418  -0.856
 7070TIP3    H227520  -1.457   2.540  -0.944
 7071TIP3   OH227521  -1.109   1.911  -2.096
 7071TIP3    H127522  -1.022   1.895  -2.054
 7071TIP3    H227523  -1.098   2.001  -2.134
 7072TIP3   OH227524  -2.088   2.388  -1.500
 7072TIP3    H127525  -2.021   2.375  -1.571
 7072TIP3    H227526  -2.079   2.303  -1.452
 7073TIP3   OH227527  -1.352   2.580  -2.180
 7073TIP3    H127528  -1.378   2.668  -2.146
 7073TIP3    H227529  -1.429   2.527  -2.155
 7074TIP3   OH227530  -2.353   2.218  -0.964
 7074TIP3    H127531  -2.337   2.175  -0.877
 7074TIP3    H227532  -2.411   2.154  -1.008
 7075TIP3   OH227533  -1.654   2.172  -0.769
 7075TIP3    H127534  -1.689   2.144  -0.855
 7075TIP3    H227535  -1.564   2.136  -0.774
 7076TIP3   OH227536  -1.201   2.702  -0.996
 7076TIP3    H127537  -1.297   2.716  -1.002
 7076TIP3    H227538  -1.183   2.731  -0.905
 7077TIP3   OH227539  -0.650   1.912  -2.117
 7077TIP3    H127540  -0.705   1.892  -2.195
 7077TIP3    H227541  -0.638   2.008  -2.132
 7078TIP3   OH227542  -0.608   2.512  -0.845
 7078TIP3    H127543  -0.702   2.534  -0.861
 7078TIP3    H227544  -0.576   2.503  -0.937
 7079TIP3   OH227545  -0.831   2.773  -2.110
 7079TIP3    H127546  -0.850   2.696  -2.055
 7079TIP3    H227547  -0.775   2.736  -2.180
 7080TIP3   OH227548  -1.102   2.307  -1.372
 7080TIP3    H127549  -1.196   2.291  -1.395
 7080TIP3    H227550  -1.059   2.233  -1.420
 7081TIP3   OH227551  -1.844   2.717  -1.763
 7081TIP3    H127552  -1.796   2.800  -1.779
 7081TIP3    H227553  -1.931   2.740  -1.797
 7082TIP3   OH227554  -2.240   2.194  -2.303
 7082TIP3    H127555  -2.183   2.264  -2.267
 7082TIP3    H227556  -2.329   2.226  -2.276
 7083TIP3   OH227557  -1.658   2.483  -1.804
 7083TIP3    H127558  -1.684   2.575  -1.791
 7083TIP3    H227559  -1.730   2.436  -1.761
 7084TIP3   OH227560  -1.641   2.909  -1.169
 7084TIP3    H127561  -1.587   2.986  -1.198
 7084TIP3    H227562  -1.578   2.862  -1.113
 7085TIP3   OH227563  -1.792   3.004  -1.846
 7085TIP3    H127564  -1.888   3.020  -1.847
 7085TIP3    H227565  -1.761   3.094  -1.826
 7086TIP3   OH227566  -1.299   2.483  -1.211
 7086TIP3    H127567  -1.328   2.457  -1.122
 7086TIP3    H227568  -1.225   2.422  -1.228
 7087TIP3   OH227569  -1.083   2.612  -2.321
 7087TIP3    H127570  -1.041   2.569  -2.245
 7087TIP3    H227571  -1.176   2.600  -2.296
 7088TIP3   OH227572  -1.005   2.941  -0.974
 7088TIP3    H127573  -1.082   2.897  -1.017
 7088TIP3    H227574  -0.995   3.021  -1.027
 7089TIP3   OH227575  -0.608   3.040  -2.270
 7089TIP3    H127576  -0.541   3.107  -2.292
 7089TIP3    H227577  -0.686   3.099  -2.263
 7090TIP3   OH227578  -0.986   2.475  -2.083
 7090TIP3    H127579  -1.012   2.404  -2.022
 7090TIP3    H227580  -0.889   2.475  -2.073
 7091TIP3   OH227581  -2.244   2.852  -1.168
 7091TIP3    H127582  -2.210   2.764  -1.147
 7091TIP3    H227583  -2.227   2.898  -1.085
 7092TIP3   OH227584  -1.662   2.717  -2.465
 7092TIP3    H127585  -1.633   2.638  -2.513
 7092TIP3    H227586  -1.704   2.680  -2.386
 7093TIP3   OH227587  -1.779   2.684  -2.180
 7093TIP3    H127588  -1.720   2.631  -2.125
 7093TIP3    H227589  -1.752   2.775  -2.159
 7094TIP3   OH227590  -2.090   2.416  -2.150
 7094TIP3    H127591  -2.164   2.457  -2.101
 7094TIP3    H227592  -2.044   2.495  -2.183
 7095TIP3   OH227593  -1.313   1.646  -1.144
 7095TIP3    H127594  -1.261   1.684  -1.070
 7095TIP3    H227595  -1.371   1.581  -1.100
 7096TIP3   OH227596  -1.258   1.605  -2.026
 7096TIP3    H127597  -1.238   1.661  -2.102
 7096TIP3    H227598  -1.217   1.655  -1.953
 7097TIP3   OH227599  -1.493   2.829  -2.127
 7097TIP3    H127600  -1.569   2.888  -2.112
 7097TIP3    H227601  -1.438   2.887  -2.182
 7098TIP3   OH227602  -1.517   1.805  -1.929
 7098TIP3    H127603  -1.443   1.868  -1.915
 7098TIP3    H227604  -1.547   1.789  -1.838
 7099TIP3   OH227605  -1.481   1.896  -1.015
 7099TIP3    H127606  -1.478   1.947  -0.933
 7099TIP3    H227607  -1.424   1.821  -0.995
 7100TIP3   OH227608  -1.460   1.507  -1.833
 7100TIP3    H127609  -1.482   1.575  -1.767
 7100TIP3    H227610  -1.387   1.550  -1.882
 7101TIP3   OH227611  -1.747   2.970  -2.138
 7101TIP3    H127612  -1.734   3.054  -2.185
 7101TIP3    H227613  -1.764   3.003  -2.048
 7102TIP3   OH227614  -1.890   1.612  -2.179
 7102TIP3    H127615  -1.888   1.690  -2.121
 7102TIP3    H227616  -1.809   1.565  -2.150
 7103TIP3   OH227617  -0.819   1.683  -0.968
 7103TIP3    H127618  -0.912   1.702  -0.955
 7103TIP3    H227619  -0.807   1.703  -1.061
 7104TIP3   OH227620  -1.000   2.078  -1.520
 7104TIP3    H127621  -1.082   2.033  -1.548
 7104TIP3    H227622  -0.952   2.007  -1.473
 7105TIP3   OH227623  -2.049   2.693  -2.274
 7105TIP3    H127624  -1.976   2.744  -2.235
 7105TIP3    H227625  -2.000   2.647  -2.345
 7106TIP3   OH227626  -2.234   1.916  -2.363
 7106TIP3    H127627  -2.223   2.010  -2.339
 7106TIP3    H227628  -2.320   1.915  -2.406
 7107TIP3   OH227629  -0.899   2.967  -1.383
 7107TIP3    H127630  -0.919   3.047  -1.435
 7107TIP3    H227631  -0.806   2.983  -1.361
 7108TIP3   OH227632  -2.257   2.763  -1.852
 7108TIP3    H127633  -2.332   2.823  -1.839
 7108TIP3    H227634  -2.207   2.812  -1.918
 7109TIP3   OH227635  -2.310   3.058  -0.743
 7109TIP3    H127636  -2.253   3.031  -0.668
 7109TIP3    H227637  -2.350   2.973  -0.770
 7110TIP3   OH227638  -1.849   2.962  -0.564
 7110TIP3    H127639  -1.775   2.904  -0.539
 7110TIP3    H227640  -1.863   2.937  -0.656
 7111TIP3   OH227641  -1.436   2.882  -2.423
 7111TIP3    H127642  -1.515   2.824  -2.424
 7111TIP3    H227643  -1.370   2.821  -2.458
 7112TIP3   OH227644  -1.197   2.789  -0.708
 7112TIP3    H127645  -1.234   2.709  -0.666
 7112TIP3    H227646  -1.127   2.815  -0.645
 7113TIP3   OH227647  -0.974   2.878  -2.404
 7113TIP3    H127648  -0.956   2.798  -2.352
 7113TIP3    H227649  -0.895   2.885  -2.460
 7114TIP3   OH227650  -2.315   2.425  -0.631
 7114TIP3    H127651  -2.307   2.332  -0.658
 7114TIP3    H227652  -2.394   2.453  -0.681
 7115TIP3   OH227653  -1.895   2.465  -2.427
 7115TIP3    H127654  -1.876   2.403  -2.354
 7115TIP3    H227655  -1.810   2.463  -2.475
 7116TIP3   OH227656  -1.649   2.447  -0.692
 7116TIP3    H127657  -1.679   2.481  -0.777
 7116TIP3    H227658  -1.643   2.351  -0.708
 7117TIP3   OH227659  -1.371   2.595  -2.468
 7117TIP3    H127660  -1.375   2.591  -2.371
 7117TIP3    H227661  -1.376   2.500  -2.489
 7118TIP3   OH227662  -1.114   2.396  -0.946
 7118TIP3    H127663  -1.037   2.450  -0.970
 7118TIP3    H227664  -1.185   2.461  -0.954
 7119TIP3   OH227665  -2.224   2.139  -0.716
 7119TIP3    H127666  -2.155   2.070  -0.711
 7119TIP3    H227667  -2.236   2.156  -0.622
 7120TIP3   OH227668  -1.786   2.271  -2.195
 7120TIP3    H127669  -1.847   2.220  -2.140
 7120TIP3    H227670  -1.756   2.203  -2.259
 7121TIP3   OH227671  -1.866   2.047  -0.975
 7121TIP3    H127672  -1.916   2.126  -0.948
 7121TIP3    H227673  -1.797   2.085  -1.033
 7122TIP3   OH227674  -1.692   2.071  -2.370
 7122TIP3    H127675  -1.697   2.081  -2.467
 7122TIP3    H227676  -1.595   2.070  -2.356
 7123TIP3   OH227677  -1.325   2.327  -0.608
 7123TIP3    H127678  -1.240   2.302  -0.649
 7123TIP3    H227679  -1.362   2.241  -0.585
 7124TIP3   OH227680  -0.738   2.325  -2.437
 7124TIP3    H127681  -0.749   2.284  -2.524
 7124TIP3    H227682  -0.750   2.419  -2.460
 7125TIP3   OH227683  -1.806   1.776  -0.859
 7125TIP3    H127684  -1.792   1.711  -0.930
 7125TIP3    H227685  -1.821   1.858  -0.910
 7126TIP3   OH227686  -1.766   1.619  -1.108
 7126TIP3    H127687  -1.711   1.666  -1.173
 7126TIP3    H227688  -1.855   1.626  -1.147
 7127TIP3   OH227689  -1.615   2.167  -1.074
 7127TIP3    H127690  -1.530   2.161  -1.119
 7127TIP3    H227691  -1.645   2.256  -1.101
 7128TIP3   OH227692  -1.163   1.962  -0.588
 7128TIP3    H127693  -1.125   1.874  -0.576
 7128TIP3    H227694  -1.083   2.014  -0.603
 7129TIP3   OH227695  -1.058   2.238  -0.721
 7129TIP3    H127696  -1.087   2.301  -0.790
 7129TIP3    H227697  -0.965   2.226  -0.748
 7130TIP3   OH227698  -1.982   1.957  -0.675
 7130TIP3    H127699  -2.042   1.882  -0.671
 7130TIP3    H227700  -1.903   1.920  -0.719
 7131TIP3   OH227701  -1.741   1.337  -1.054
 7131TIP3    H127702  -1.720   1.431  -1.043
 7131TIP3    H227703  -1.771   1.335  -1.145
 7132TIP3   OH227704  -1.551   1.804  -0.707
 7132TIP3    H127705  -1.579   1.781  -0.617
 7132TIP3    H227706  -1.631   1.779  -0.757
 7133TIP3   OH227707  -2.141   1.690  -0.705
 7133TIP3    H127708  -2.114   1.610  -0.750
 7133TIP3    H227709  -2.141   1.658  -0.612
 7134TIP3   OH227710  -1.679   1.458  -0.585
 7134TIP3    H127711  -1.631   1.417  -0.658
 7134TIP3    H227712  -1.691   1.550  -0.609
 7135TIP3   OH227713  -2.322   2.632  -2.300
 7135TIP3    H127714  -2.227   2.656  -2.293
 7135TIP3    H227715  -2.320   2.560  -2.365
 7136TIP3   OH227716  -2.422   3.152  -1.833
 7136TIP3    H127717  -2.495   3.117  -1.887
 7136TIP3    H227718  -2.415   3.087  -1.762
 7137TIP3   OH227719  -2.384   2.954  -1.628
 7137TIP3    H127720  -2.427   2.875  -1.594
 7137TIP3    H227721  -2.347   2.992  -1.546
 7138TIP3   OH227722  -0.615   3.071  -1.336
 7138TIP3    H127723  -0.611   3.081  -1.240
 7138TIP3    H227724  -0.544   3.130  -1.365
 7139TIP3   OH227725  -0.639   3.028  -1.048
 7139TIP3    H127726  -0.692   2.953  -1.082
 7139TIP3    H227727  -0.587   2.983  -0.979
 7140TIP3   OH227728  -0.852   2.574  -0.611
 7140TIP3    H127729  -0.922   2.569  -0.546
 7140TIP3    H227730  -0.796   2.647  -0.576
 7141TIP3   OH227731  -0.696   2.462  -2.044
 7141TIP3    H127732  -0.607   2.497  -2.024
 7141TIP3    H227733  -0.706   2.399  -1.970
 7142TIP3   OH227734  -0.649   2.257  -1.842
 7142TIP3    H127735  -0.720   2.203  -1.803
 7142TIP3    H227736  -0.584   2.265  -1.770
 7143TIP3   OH227737  -0.679   2.505  -1.345
 7143TIP3    H127738  -0.617   2.457  -1.403
 7143TIP3    H227739  -0.672   2.596  -1.378
 7144TIP3   OH227740  -0.810   2.797  -1.122
 7144TIP3    H127741  -0.882   2.839  -1.073
 7144TIP3    H227742  -0.857   2.763  -1.202
 7145TIP3   OH227743  -0.631   2.202  -2.187
 7145TIP3    H127744  -0.680   2.231  -2.266
 7145TIP3    H227745  -0.642   2.279  -2.129
 7146TIP3   OH227746  -0.803   1.959  -2.362
 7146TIP3    H127747  -0.776   2.019  -2.433
 7146TIP3    H227748  -0.825   1.877  -2.410
 7147TIP3   OH227749  -0.863   2.072  -1.765
 7147TIP3    H127750  -0.867   1.976  -1.780
 7147TIP3    H227751  -0.898   2.081  -1.674
 7148TIP3   OH227752  -0.778   2.242  -0.819
 7148TIP3    H127753  -0.702   2.183  -0.819
 7148TIP3    H227754  -0.739   2.326  -0.849
 7149TIP3   OH227755  -0.854   1.693  -2.439
 7149TIP3    H127756  -0.791   1.645  -2.382
 7149TIP3    H227757  -0.932   1.636  -2.441
 7150TIP3   OH227758  -0.876   1.820  -1.946
 7150TIP3    H127759  -0.850   1.726  -1.940
 7150TIP3    H227760  -0.795   1.857  -1.987
 7151TIP3   OH227761  -0.848   1.880  -1.400
 7151TIP3    H127762  -0.751   1.888  -1.403
 7151TIP3    H227763  -0.861   1.881  -1.304
 7152TIP3   OH227764  -0.840   1.946  -1.127
 7152TIP3    H127765  -0.909   1.991  -1.076
 7152TIP3    H227766  -0.770   2.013  -1.131
 7153TIP3   OH227767  -2.408   1.790  -0.756
 7153TIP3    H127768  -2.315   1.765  -0.736
 7153TIP3    H227769  -2.455   1.709  -0.731
 7154TIP3   OH227770  -0.826   1.541  -1.948
 7154TIP3    H127771  -0.814   1.507  -1.857
 7154TIP3    H227772  -0.905   1.492  -1.976
 7155TIP3   OH227773  -2.291   1.625  -1.479
 7155TIP3    H127774  -2.241   1.543  -1.467
 7155TIP3    H227775  -2.230   1.692  -1.444
 7156TIP3   OH227776  -2.453   1.928  -1.376
 7156TIP3    H127777  -2.394   1.927  -1.453
 7156TIP3    H227778  -2.409   1.990  -1.317
 7157TIP3   OH227779  -0.631   1.590  -2.285
 7157TIP3    H127780  -0.598   1.510  -2.328
 7157TIP3    H227781  -0.549   1.641  -2.271
 7158TIP3   OH227782  -2.406   1.569  -1.955
 7158TIP3    H127783  -2.499   1.566  -1.982
 7158TIP3    H227784  -2.364   1.622  -2.026
 7159TIP3   OH227785  -0.938   3.078  -1.755
 7159TIP3    H127786  -0.889   3.063  -1.837
 7159TIP3    H227787  -0.875   3.128  -1.702
 7160TIP3   OH227788  -2.200   2.760  -0.679
 7160TIP3    H127789  -2.272   2.760  -0.744
 7160TIP3    H227790  -2.247   2.755  -0.595
 7161TIP3   OH227791  -1.917   2.857  -1.117
 7161TIP3    H127792  -1.948   2.944  -1.150
 7161TIP3    H227793  -1.821   2.868  -1.132
 7162TIP3   OH227794  -1.465   2.986  -0.812
 7162TIP3    H127795  -1.452   2.975  -0.717
 7162TIP3    H227796  -1.384   3.034  -0.838
 7163TIP3   OH227797  -1.238   3.134  -0.889
 7163TIP3    H127798  -1.168   3.070  -0.911
 7163TIP3    H227799  -1.208   3.166  -0.802
 7164TIP3   OH227800  -2.183   3.149  -1.080
 7164TIP3    H127801  -2.239   3.215  -1.126
 7164TIP3    H227802  -2.214   3.161  -0.989
 7165TIP3   OH227803  -1.932   3.128  -1.227
 7165TIP3    H127804  -2.015   3.153  -1.183
 7165TIP3    H227805  -1.923   3.199  -1.294
 7166TIP3   OH227806  -1.457   3.131  -1.269
 7166TIP3    H127807  -1.491   3.175  -1.349
 7166TIP3    H227808  -1.446   3.207  -1.209
 7167TIP3   OH227809  -1.223   3.002  -1.179
 7167TIP3    H127810  -1.308   3.039  -1.211
 7167TIP3    H227811  -1.167   3.081  -1.179
 7168TIP3   OH227812  -0.968   3.175  -1.159
 7168TIP3    H127813  -0.974   3.270  -1.179
 7168TIP3    H227814  -0.943   3.140  -1.246
 7169TIP3   OH227815  -2.226   3.030  -1.390
 7169TIP3    H127816  -2.229   2.981  -1.305
 7169TIP3    H227817  -2.144   2.993  -1.428
 7170TIP3   OH227818  -2.020   2.910  -1.541
 7170TIP3    H127819  -2.028   2.816  -1.518
 7170TIP3    H227820  -1.928   2.931  -1.515
 7171TIP3   OH227821  -1.749   2.953  -1.453
 7171TIP3    H127822  -1.723   2.862  -1.475
 7171TIP3    H227823  -1.737   2.954  -1.357
 7172TIP3   OH227824  -1.419   1.535  -1.519
 7172TIP3    H127825  -1.485   1.465  -1.506
 7172TIP3    H227826  -1.356   1.491  -1.579
 7173TIP3   OH227827  -0.924   1.362  -1.462
 7173TIP3    H127828  -0.838   1.370  -1.505
 7173TIP3    H227829  -0.986   1.362  -1.537
 7174TIP3   OH227830  -0.713   1.454  -1.688
 7174TIP3    H127831  -0.639   1.411  -1.735
 7174TIP3    H227832  -0.679   1.545  -1.676
 7175TIP3   OH227833  -2.167   1.417  -1.730
 7175TIP3    H127834  -2.253   1.405  -1.774
 7175TIP3    H227835  -2.129   1.328  -1.737
 7176TIP3   OH227836  -2.294   1.365  -2.181
 7176TIP3    H127837  -2.244   1.431  -2.232
 7176TIP3    H227838  -2.335   1.418  -2.111
 7177TIP3   OH227839  -1.730   1.393  -1.778
 7177TIP3    H127840  -1.637   1.420  -1.790
 7177TIP3    H227841  -1.734   1.380  -1.683
 7178TIP3   OH227842  -1.174   1.404  -1.639
 7178TIP3    H127843  -1.138   1.389  -1.727
 7178TIP3    H227844  -1.207   1.316  -1.615
 7179TIP3   OH227845  -1.058   1.401  -2.044
 7179TIP3    H127846  -1.140   1.453  -2.053
 7179TIP3    H227847  -1.093   1.314  -2.016
 7180TIP3   OH227848  -2.281   2.958  -2.059
 7180TIP3    H127849  -2.340   2.950  -2.136
 7180TIP3    H227850  -2.276   3.055  -2.053
 7181TIP3   OH227851  -2.123   1.548  -2.336
 7181TIP3    H127852  -2.061   1.493  -2.387
 7181TIP3    H227853  -2.065   1.582  -2.265
 7182TIP3   OH227854  -1.608   1.561  -2.078
 7182TIP3    H127855  -1.581   1.505  -2.003
 7182TIP3    H227856  -1.593   1.649  -2.039
 7183TIP3   OH227857  -1.401   3.109  -2.252
 7183TIP3    H127858  -1.307   3.126  -2.262
 7183TIP3    H227859  -1.423   3.056  -2.330
 7184TIP3   OH227860  -0.755   3.047  -1.994
 7184TIP3    H127861  -0.781   2.964  -2.038
 7184TIP3    H227862  -0.769   3.112  -2.065
 7185TIP3   OH227863  -2.139   3.046  -2.383
 7185TIP3    H127864  -2.153   3.086  -2.296
 7185TIP3    H227865  -2.053   3.002  -2.372
 7186TIP3   OH227866  -0.809   2.923  -0.753
 7186TIP3    H127867  -0.884   2.902  -0.812
 7186TIP3    H227868  -0.827   3.017  -0.733
 7187TIP3   OH227869   0.497   2.233  -1.443
 7187TIP3    H127870   0.489   2.176  -1.365
 7187TIP3    H227871   0.474   2.173  -1.515
 7188TIP3   OH227872  -0.266   2.168  -1.250
 7188TIP3    H127873  -0.247   2.105  -1.180
 7188TIP3    H227874  -0.185   2.222  -1.249
 7189TIP3   OH227875   0.878   2.518  -1.603
 7189TIP3    H127876   0.829   2.442  -1.570
 7189TIP3    H227877   0.894   2.569  -1.522
 7190TIP3   OH227878  -0.167   2.673  -1.445
 7190TIP3    H127879  -0.212   2.586  -1.452
 7190TIP3    H227880  -0.099   2.649  -1.380
 7191TIP3   OH227881  -0.497   1.997  -1.878
 7191TIP3    H127882  -0.536   2.085  -1.872
 7191TIP3    H227883  -0.567   1.948  -1.924
 7192TIP3   OH227884  -0.402   2.227  -1.676
 7192TIP3    H127885  -0.383   2.144  -1.629
 7192TIP3    H227886  -0.324   2.234  -1.733
 7193TIP3   OH227887   0.570   3.045  -1.543
 7193TIP3    H127888   0.627   2.974  -1.580
 7193TIP3    H227889   0.548   3.006  -1.457
 7194TIP3   OH227890   0.340   2.486  -1.377
 7194TIP3    H127891   0.372   2.420  -1.440
 7194TIP3    H227892   0.423   2.500  -1.327
 7195TIP3   OH227893   1.213   1.642  -1.314
 7195TIP3    H127894   1.235   1.705  -1.244
 7195TIP3    H227895   1.274   1.673  -1.384
 7196TIP3   OH227896   0.658   1.911  -1.335
 7196TIP3    H127897   0.693   1.820  -1.338
 7196TIP3    H227898   0.667   1.939  -1.427
 7197TIP3   OH227899  -0.049   1.698  -1.615
 7197TIP3    H127900  -0.036   1.792  -1.632
 7197TIP3    H227901  -0.079   1.665  -1.701
 7198TIP3   OH227902   0.757   1.739  -1.789
 7198TIP3    H127903   0.813   1.700  -1.719
 7198TIP3    H227904   0.824   1.783  -1.843
 7199TIP3   OH227905  -0.326   1.970  -1.547
 7199TIP3    H127906  -0.257   1.920  -1.503
 7199TIP3    H227907  -0.325   1.930  -1.636
 7200TIP3   OH227908   0.173   2.128  -1.611
 7200TIP3    H127909   0.238   2.070  -1.567
 7200TIP3    H227910   0.126   2.063  -1.666
 7201TIP3   OH227911   1.289   1.784  -1.043
 7201TIP3    H127912   1.228   1.851  -1.078
 7201TIP3    H227913   1.242   1.756  -0.963
 7202TIP3   OH227914   0.610   2.590  -1.859
 7202TIP3    H127915   0.574   2.518  -1.911
 7202TIP3    H227916   0.538   2.655  -1.852
 7203TIP3   OH227917   0.147   2.385  -1.185
 7203TIP3    H127918   0.070   2.444  -1.173
 7203TIP3    H227919   0.210   2.442  -1.233
 7204TIP3   OH227920   0.925   1.658  -1.574
 7204TIP3    H127921   0.919   1.583  -1.515
 7204TIP3    H227922   0.985   1.718  -1.526
 7205TIP3   OH227923  -0.065   2.581  -1.148
 7205TIP3    H127924  -0.063   2.678  -1.142
 7205TIP3    H227925  -0.140   2.559  -1.089
 7206TIP3   OH227926  -0.425   2.560  -2.022
 7206TIP3    H127927  -0.443   2.599  -2.109
 7206TIP3    H227928  -0.406   2.638  -1.967
 7207TIP3   OH227929   0.920   2.691  -1.348
 7207TIP3    H127930   0.823   2.701  -1.350
 7207TIP3    H227931   0.948   2.775  -1.390
 7208TIP3   OH227932   0.946   1.592  -1.200
 7208TIP3    H127933   0.869   1.621  -1.252
 7208TIP3    H227934   1.021   1.607  -1.260
 7209TIP3   OH227935   0.748   2.884  -1.695
 7209TIP3    H127936   0.791   2.800  -1.723
 7209TIP3    H227937   0.819   2.949  -1.710
 7210TIP3   OH227938   0.893   2.667  -1.839
 7210TIP3    H127939   0.839   2.615  -1.901
 7210TIP3    H227940   0.889   2.607  -1.761
 7211TIP3   OH227941   1.047   2.553  -0.985
 7211TIP3    H127942   1.040   2.485  -1.055
 7211TIP3    H227943   1.062   2.634  -1.037
 7212TIP3   OH227944   0.511   2.082  -2.309
 7212TIP3    H127945   0.569   2.090  -2.232
 7212TIP3    H227946   0.562   2.022  -2.365
 7213TIP3   OH227947   1.228   2.168  -1.190
 7213TIP3    H127948   1.155   2.233  -1.181
 7213TIP3    H227949   1.274   2.204  -1.269
 7214TIP3   OH227950   0.822   2.081  -1.015
 7214TIP3    H127951   0.817   2.160  -0.958
 7214TIP3    H227952   0.754   2.103  -1.080
 7215TIP3   OH227953  -0.010   2.325  -1.735
 7215TIP3    H127954  -0.046   2.274  -1.811
 7215TIP3    H227955   0.051   2.261  -1.694
 7216TIP3   OH227956   0.121   2.672  -1.501
 7216TIP3    H127957   0.146   2.595  -1.555
 7216TIP3    H227958   0.191   2.663  -1.433
 7217TIP3   OH227959   0.024   2.210  -1.377
 7217TIP3    H127960   0.089   2.186  -1.446
 7217TIP3    H227961   0.081   2.253  -1.310
 7218TIP3   OH227962   0.634   2.755  -1.324
 7218TIP3    H127963   0.643   2.817  -1.250
 7218TIP3    H227964   0.616   2.670  -1.279
 7219TIP3   OH227965   0.131   2.634  -0.899
 7219TIP3    H127966   0.081   2.700  -0.846
 7219TIP3    H227967   0.065   2.608  -0.965
 7220TIP3   OH227968  -0.188   2.310  -0.999
 7220TIP3    H127969  -0.166   2.334  -0.907
 7220TIP3    H227970  -0.275   2.270  -0.991
 7221TIP3   OH227971   0.458   2.848  -1.803
 7221TIP3    H127972   0.523   2.867  -1.734
 7221TIP3    H227973   0.430   2.935  -1.834
 7222TIP3   OH227974  -0.060   2.849  -0.815
 7222TIP3    H127975  -0.073   2.853  -0.911
 7222TIP3    H227976  -0.149   2.828  -0.780
 7223TIP3   OH227977   1.066   1.355  -2.208
 7223TIP3    H127978   0.977   1.371  -2.169
 7223TIP3    H227979   1.102   1.445  -2.212
 7224TIP3   OH227980  -0.126   2.197  -1.973
 7224TIP3    H127981  -0.141   2.268  -2.037
 7224TIP3    H227982  -0.186   2.128  -2.004
 7225TIP3   OH227983   1.204   2.775  -2.361
 7225TIP3    H127984   1.221   2.867  -2.334
 7225TIP3    H227985   1.290   2.733  -2.340
 7226TIP3   OH227986  -0.515   2.458  -1.104
 7226TIP3    H127987  -0.560   2.463  -1.191
 7226TIP3    H227988  -0.502   2.363  -1.096
 7227TIP3   OH227989  -0.512   2.753  -1.413
 7227TIP3    H127990  -0.420   2.730  -1.400
 7227TIP3    H227991  -0.526   2.817  -1.341
 7228TIP3   OH227992   1.328   2.815  -0.835
 7228TIP3    H127993   1.318   2.720  -0.852
 7228TIP3    H227994   1.237   2.838  -0.805
 7229TIP3   OH227995   0.392   2.741  -0.959
 7229TIP3    H127996   0.400   2.822  -0.905
 7229TIP3    H227997   0.304   2.708  -0.933
 7230TIP3   OH227998   0.417   3.117  -1.954
 7230TIP3    H127999   0.422   3.123  -2.052
 7230TIP3    H228000   0.426   3.210  -1.927
 7231TIP3   OH228001   0.754   3.063  -2.239
 7231TIP3    H128002   0.809   2.996  -2.284
 7231TIP3    H228003   0.748   3.024  -2.150
 7232TIP3   OH228004   0.693   3.007  -1.957
 7232TIP3    H128005   0.597   3.013  -1.946
 7232TIP3    H228006   0.713   2.930  -1.900
 7233TIP3   OH228007   1.036   1.973  -0.812
 7233TIP3    H128008   0.970   2.009  -0.872
 7233TIP3    H228009   1.034   1.878  -0.834
 7234TIP3   OH228010  -0.294   2.613  -0.976
 7234TIP3    H128011  -0.264   2.562  -0.899
 7234TIP3    H228012  -0.366   2.557  -1.011
 7235TIP3   OH228013   0.035   1.435  -1.384
 7235TIP3    H128014  -0.049   1.396  -1.410
 7235TIP3    H228015   0.010   1.514  -1.338
 7236TIP3   OH228016   0.858   2.254  -2.342
 7236TIP3    H128017   0.843   2.255  -2.438
 7236TIP3    H228018   0.940   2.305  -2.333
 7237TIP3   OH228019   0.453   1.668  -2.318
 7237TIP3    H128020   0.396   1.674  -2.240
 7237TIP3    H228021   0.398   1.612  -2.375
 7238TIP3   OH228022   0.004   1.954  -1.775
 7238TIP3    H128023  -0.090   1.936  -1.790
 7238TIP3    H228024   0.042   1.927  -1.861
 7239TIP3   OH228025   0.623   1.958  -1.643
 7239TIP3    H128026   0.630   2.032  -1.709
 7239TIP3    H228027   0.658   1.885  -1.697
 7240TIP3   OH228028   0.096   1.729  -2.418
 7240TIP3    H128029   0.060   1.683  -2.340
 7240TIP3    H228030   0.020   1.733  -2.477
 7241TIP3   OH228031  -0.570   1.700  -1.707
 7241TIP3    H128032  -0.504   1.701  -1.635
 7241TIP3    H228033  -0.520   1.664  -1.782
 7242TIP3   OH228034  -0.414   1.747  -2.146
 7242TIP3    H128035  -0.356   1.796  -2.208
 7242TIP3    H228036  -0.482   1.814  -2.127
 7243TIP3   OH228037   0.553   2.112  -1.169
 7243TIP3    H128038   0.601   2.048  -1.225
 7243TIP3    H228039   0.521   2.053  -1.098
 7244TIP3   OH228040   0.262   1.702  -1.675
 7244TIP3    H128041   0.168   1.705  -1.651
 7244TIP3    H228042   0.304   1.710  -1.588
 7245TIP3   OH228043  -0.263   1.834  -1.807
 7245TIP3    H128044  -0.346   1.860  -1.851
 7245TIP3    H228045  -0.236   1.754  -1.856
 7246TIP3   OH228046   0.109   1.866  -2.035
 7246TIP3    H128047   0.205   1.880  -2.030
 7246TIP3    H228048   0.081   1.923  -2.109
 7247TIP3   OH228049   0.690   1.620  -1.340
 7247TIP3    H128050   0.618   1.625  -1.276
 7247TIP3    H228051   0.640   1.595  -1.421
 7248TIP3   OH228052  -0.052   1.988  -2.265
 7248TIP3    H128053  -0.107   1.952  -2.336
 7248TIP3    H228054   0.031   2.006  -2.311
 7249TIP3   OH228055   1.019   3.201  -0.703
 7249TIP3    H128056   1.043   3.246  -0.786
 7249TIP3    H228057   1.090   3.231  -0.644
 7250TIP3   OH228058  -0.183   2.455  -0.739
 7250TIP3    H128059  -0.111   2.469  -0.676
 7250TIP3    H228060  -0.259   2.463  -0.680
 7251TIP3   OH228061   0.370   1.936  -1.468
 7251TIP3    H128062   0.449   1.919  -1.521
 7251TIP3    H228063   0.388   1.887  -1.386
 7252TIP3   OH228064  -0.098   1.600  -1.875
 7252TIP3    H128065  -0.141   1.516  -1.853
 7252TIP3    H228066  -0.013   1.570  -1.911
 7253TIP3   OH228067   0.294   2.448  -2.065
 7253TIP3    H128068   0.240   2.380  -2.109
 7253TIP3    H228069   0.306   2.413  -1.976
 7254TIP3   OH228070   1.015   2.363  -1.200
 7254TIP3    H128071   1.065   2.416  -1.266
 7254TIP3    H228072   0.930   2.349  -1.246
 7255TIP3   OH228073   0.722   1.732  -2.312
 7255TIP3    H128074   0.624   1.726  -2.311
 7255TIP3    H228075   0.739   1.805  -2.248
 7256TIP3   OH228076   0.448   2.444  -0.936
 7256TIP3    H128077   0.425   2.418  -0.846
 7256TIP3    H228078   0.422   2.537  -0.938
 7257TIP3   OH228079   0.769   1.928  -2.124
 7257TIP3    H128080   0.831   1.914  -2.050
 7257TIP3    H228081   0.769   2.025  -2.126
 7258TIP3   OH228082  -0.188   2.375  -1.486
 7258TIP3    H128083  -0.132   2.372  -1.565
 7258TIP3    H228084  -0.161   2.293  -1.443
 7259TIP3   OH228085   0.533   2.592  -2.193
 7259TIP3    H128086   0.508   2.667  -2.137
 7259TIP3    H228087   0.485   2.519  -2.151
 7260TIP3   OH228088  -0.458   2.188  -0.928
 7260TIP3    H128089  -0.459   2.113  -0.866
 7260TIP3    H228090  -0.516   2.157  -0.999
 7261TIP3   OH228091   0.250   2.147  -0.754
 7261TIP3    H128092   0.224   2.133  -0.846
 7261TIP3    H228093   0.346   2.143  -0.759
 7262TIP3   OH228094   0.683   2.711  -0.997
 7262TIP3    H128095   0.586   2.717  -1.002
 7262TIP3    H228096   0.699   2.733  -0.904
 7263TIP3   OH228097   1.238   1.911  -2.119
 7263TIP3    H128098   1.180   1.895  -2.196
 7263TIP3    H228099   1.250   2.007  -2.130
 7264TIP3   OH228100   1.281   2.517  -0.839
 7264TIP3    H128101   1.187   2.537  -0.858
 7264TIP3    H228102   1.315   2.499  -0.928
 7265TIP3   OH228103   1.057   2.772  -2.108
 7265TIP3    H128104   1.031   2.695  -2.055
 7265TIP3    H228105   1.111   2.732  -2.178
 7266TIP3   OH228106   0.780   2.305  -1.367
 7266TIP3    H128107   0.688   2.291  -1.397
 7266TIP3    H228108   0.825   2.234  -1.418
 7267TIP3   OH228109  -0.356   2.194  -2.305
 7267TIP3    H128110  -0.297   2.262  -2.266
 7267TIP3    H228111  -0.443   2.225  -2.274
 7268TIP3   OH228112   0.199   2.527  -1.754
 7268TIP3    H128113   0.174   2.589  -1.822
 7268TIP3    H228114   0.141   2.450  -1.768
 7269TIP3   OH228115   0.241   2.907  -1.175
 7269TIP3    H128116   0.295   2.983  -1.204
 7269TIP3    H228117   0.305   2.856  -1.123
 7270TIP3   OH228118   0.585   2.486  -1.215
 7270TIP3    H128119   0.557   2.455  -1.127
 7270TIP3    H228120   0.657   2.424  -1.236
 7271TIP3   OH228121   0.812   2.606  -2.310
 7271TIP3    H128122   0.847   2.559  -2.231
 7271TIP3    H228123   0.717   2.598  -2.290
 7272TIP3   OH228124   0.879   2.942  -0.972
 7272TIP3    H128125   0.805   2.895  -1.014
 7272TIP3    H228126   0.890   3.020  -1.029
 7273TIP3   OH228127   1.276   3.042  -2.266
 7273TIP3    H128128   1.347   3.105  -2.288
 7273TIP3    H228129   1.200   3.102  -2.269
 7274TIP3   OH228130   0.888   2.462  -2.068
 7274TIP3    H128131   0.850   2.386  -2.021
 7274TIP3    H228132   0.983   2.454  -2.049
 7275TIP3   OH228133  -0.351   2.850  -1.167
 7275TIP3    H128134  -0.330   2.760  -1.139
 7275TIP3    H228135  -0.343   2.897  -1.083
 7276TIP3   OH228136   0.228   2.723  -2.458
 7276TIP3    H128137   0.252   2.646  -2.513
 7276TIP3    H228138   0.190   2.679  -2.380
 7277TIP3   OH228139   0.123   2.662  -2.179
 7277TIP3    H128140   0.178   2.606  -2.122
 7277TIP3    H228141   0.138   2.752  -2.144
 7278TIP3   OH228142  -0.211   2.417  -2.151
 7278TIP3    H128143  -0.279   2.459  -2.096
 7278TIP3    H228144  -0.162   2.496  -2.182
 7279TIP3   OH228145   0.627   1.609  -2.026
 7279TIP3    H128146   0.638   1.667  -2.103
 7279TIP3    H228147   0.671   1.660  -1.957
 7280TIP3   OH228148   0.406   2.847  -2.123
 7280TIP3    H128149   0.320   2.890  -2.118
 7280TIP3    H228150   0.440   2.877  -2.209
 7281TIP3   OH228151   0.391   1.824  -1.925
 7281TIP3    H128152   0.465   1.885  -1.910
 7281TIP3    H228153   0.354   1.813  -1.835
 7282TIP3   OH228154   0.439   1.901  -1.013
 7282TIP3    H128155   0.405   1.930  -0.928
 7282TIP3    H228156   0.462   1.809  -0.996
 7283TIP3   OH228157   0.429   1.512  -1.832
 7283TIP3    H128158   0.399   1.587  -1.778
 7283TIP3    H228159   0.498   1.553  -1.888
 7284TIP3   OH228160   0.121   2.943  -2.106
 7284TIP3    H128161   0.113   3.012  -2.175
 7284TIP3    H228162   0.114   2.997  -2.027
 7285TIP3   OH228163   0.001   1.612  -2.186
 7285TIP3    H128164   0.002   1.689  -2.126
 7285TIP3    H228165   0.082   1.566  -2.158
 7286TIP3   OH228166   1.026   1.716  -0.936
 7286TIP3    H128167   0.931   1.702  -0.942
 7286TIP3    H228168   1.053   1.678  -1.021
 7287TIP3   OH228169   0.869   2.083  -1.512
 7287TIP3    H128170   0.801   2.042  -1.568
 7287TIP3    H228171   0.926   2.007  -1.487
 7288TIP3   OH228172  -0.155   2.693  -2.272
 7288TIP3    H128173  -0.082   2.747  -2.237
 7288TIP3    H228174  -0.106   2.643  -2.341
 7289TIP3   OH228175  -0.342   1.916  -2.368
 7289TIP3    H128176  -0.332   2.009  -2.341
 7289TIP3    H228177  -0.432   1.915  -2.404
 7290TIP3   OH228178   0.982   2.973  -1.385
 7290TIP3    H128179   0.970   3.056  -1.434
 7290TIP3    H228180   1.074   2.981  -1.358
 7291TIP3   OH228181  -0.287   1.385  -1.474
 7291TIP3    H128182  -0.275   1.389  -1.570
 7291TIP3    H228183  -0.299   1.291  -1.456
 7292TIP3   OH228184  -0.319   2.804  -1.843
 7292TIP3    H128185  -0.405   2.836  -1.812
 7292TIP3    H228186  -0.313   2.850  -1.929
 7293TIP3   OH228187  -0.425   3.057  -0.745
 7293TIP3    H128188  -0.368   3.030  -0.670
 7293TIP3    H228189  -0.466   2.972  -0.769
 7294TIP3   OH228190   0.043   2.967  -0.565
 7294TIP3    H128191   0.111   2.903  -0.540
 7294TIP3    H228192   0.022   2.938  -0.656
 7295TIP3   OH228193   0.450   2.888  -2.410
 7295TIP3    H128194   0.375   2.827  -2.423
 7295TIP3    H228195   0.522   2.835  -2.448
 7296TIP3   OH228196   0.688   2.792  -0.704
 7296TIP3    H128197   0.655   2.708  -0.668
 7296TIP3    H228198   0.760   2.814  -0.642
 7297TIP3   OH228199   0.910   2.878  -2.403
 7297TIP3    H128200   0.925   2.799  -2.349
 7297TIP3    H228201   0.991   2.881  -2.457
 7298TIP3   OH228202  -0.469   2.404  -0.629
 7298TIP3    H128203  -0.428   2.331  -0.676
 7298TIP3    H228204  -0.523   2.447  -0.698
 7299TIP3   OH228205  -0.009   2.465  -2.427
 7299TIP3    H128206   0.009   2.406  -2.352
 7299TIP3    H228207   0.077   2.462  -2.473
 7300TIP3   OH228208   0.237   2.430  -0.695
 7300TIP3    H128209   0.190   2.454  -0.776
 7300TIP3    H228210   0.235   2.332  -0.696
 7301TIP3   OH228211   0.522   2.589  -2.470
 7301TIP3    H128212   0.517   2.589  -2.372
 7301TIP3    H228213   0.504   2.495  -2.489
 7302TIP3   OH228214   0.769   2.408  -0.962
 7302TIP3    H128215   0.848   2.459  -0.986
 7302TIP3    H228216   0.701   2.477  -0.965
 7303TIP3   OH228217   0.097   2.275  -2.200
 7303TIP3    H128218   0.043   2.218  -2.142
 7303TIP3    H228219   0.134   2.209  -2.262
 7304TIP3   OH228220   0.206   2.080  -2.365
 7304TIP3    H128221   0.199   2.064  -2.460
 7304TIP3    H228222   0.302   2.078  -2.351
 7305TIP3   OH228223   0.539   2.303  -0.639
 7305TIP3    H128224   0.635   2.301  -0.651
 7305TIP3    H228225   0.526   2.237  -0.571
 7306TIP3   OH228226   1.140   2.325  -2.435
 7306TIP3    H128227   1.123   2.282  -2.520
 7306TIP3    H228228   1.129   2.419  -2.459
 7307TIP3   OH228229   0.265   2.157  -1.054
 7307TIP3    H128230   0.346   2.150  -1.107
 7307TIP3    H228231   0.230   2.243  -1.087
 7308TIP3   OH228232   0.845   2.253  -0.753
 7308TIP3    H128233   0.809   2.316  -0.819
 7308TIP3    H228234   0.936   2.243  -0.788
 7309TIP3   OH228235   0.173   3.190  -2.257
 7309TIP3    H128236   0.268   3.206  -2.249
 7309TIP3    H228237   0.153   3.239  -2.338
 7310TIP3   OH228238  -0.435   2.634  -2.301
 7310TIP3    H128239  -0.340   2.653  -2.292
 7310TIP3    H228240  -0.435   2.558  -2.362
 7311TIP3   OH228241  -0.534   3.155  -1.834
 7311TIP3    H128242  -0.607   3.123  -1.890
 7311TIP3    H228243  -0.531   3.086  -1.765
 7312TIP3   OH228244  -0.501   2.954  -1.635
 7312TIP3    H128245  -0.539   2.871  -1.602
 7312TIP3    H228246  -0.474   2.993  -1.551
 7313TIP3   OH228247   1.256   3.090  -1.335
 7313TIP3    H128248   1.270   3.082  -1.240
 7313TIP3    H228249   1.345   3.112  -1.366
 7314TIP3   OH228250   1.245   3.029  -1.047
 7314TIP3    H128251   1.194   2.953  -1.081
 7314TIP3    H228252   1.301   2.983  -0.982
 7315TIP3   OH228253   1.044   2.572  -0.618
 7315TIP3    H128254   0.957   2.577  -0.576
 7315TIP3    H228255   1.090   2.651  -0.585
 7316TIP3   OH228256   1.183   2.464  -2.045
 7316TIP3    H128257   1.274   2.494  -2.026
 7316TIP3    H228258   1.172   2.399  -1.972
 7317TIP3   OH228259   1.231   2.260  -1.849
 7317TIP3    H128260   1.163   2.202  -1.809
 7317TIP3    H228261   1.297   2.268  -1.778
 7318TIP3   OH228262   1.204   2.509  -1.346
 7318TIP3    H128263   1.264   2.457  -1.403
 7318TIP3    H228264   1.217   2.599  -1.380
 7319TIP3   OH228265   1.076   2.803  -1.126
 7319TIP3    H128266   1.003   2.838  -1.073
 7319TIP3    H228267   1.030   2.762  -1.202
 7320TIP3   OH228268   1.262   2.205  -2.190
 7320TIP3    H128269   1.205   2.231  -2.265
 7320TIP3    H228270   1.244   2.276  -2.127
 7321TIP3   OH228271   1.095   1.951  -2.363
 7321TIP3    H128272   1.106   2.021  -2.428
 7321TIP3    H228273   1.061   1.878  -2.417
 7322TIP3   OH228274   1.040   2.071  -1.767
 7322TIP3    H128275   0.997   1.992  -1.803
 7322TIP3    H228276   0.967   2.112  -1.717
 7323TIP3   OH228277  -0.484   2.293  -1.395
 7323TIP3    H128278  -0.457   2.294  -1.488
 7323TIP3    H228279  -0.400   2.268  -1.352
 7324TIP3   OH228280   1.103   2.264  -0.850
 7324TIP3    H128281   1.168   2.193  -0.840
 7324TIP3    H228282   1.159   2.342  -0.861
 7325TIP3   OH228283   1.283   2.074  -0.747
 7325TIP3    H128284   1.196   2.030  -0.742
 7325TIP3    H228285   1.344   2.001  -0.727
 7326TIP3   OH228286   1.025   1.673  -2.454
 7326TIP3    H128287   1.090   1.645  -2.386
 7326TIP3    H228288   0.941   1.653  -2.412
 7327TIP3   OH228289   0.994   1.821  -1.947
 7327TIP3    H128290   1.029   1.730  -1.941
 7327TIP3    H228291   1.070   1.867  -1.988
 7328TIP3   OH228292   1.032   1.875  -1.409
 7328TIP3    H128293   1.128   1.891  -1.415
 7328TIP3    H228294   1.020   1.890  -1.313
 7329TIP3   OH228295   1.043   1.948  -1.139
 7329TIP3    H128296   0.963   1.987  -1.097
 7329TIP3    H228297   1.100   2.027  -1.148
 7330TIP3   OH228298   1.060   1.539  -1.939
 7330TIP3    H128299   1.060   1.503  -1.848
 7330TIP3    H228300   0.981   1.493  -1.975
 7331TIP3   OH228301  -0.394   1.664  -1.464
 7331TIP3    H128302  -0.365   1.572  -1.452
 7331TIP3    H228303  -0.323   1.712  -1.421
 7332TIP3   OH228304  -0.566   1.935  -1.370
 7332TIP3    H128305  -0.505   1.914  -1.442
 7332TIP3    H228306  -0.522   2.012  -1.331
 7333TIP3   OH228307   1.251   1.592  -2.289
 7333TIP3    H128308   1.283   1.510  -2.330
 7333TIP3    H228309   1.334   1.641  -2.272
 7334TIP3   OH228310  -0.517   1.561  -1.963
 7334TIP3    H128311  -0.612   1.567  -1.982
 7334TIP3    H228312  -0.477   1.622  -2.028
 7335TIP3   OH228313   0.942   3.097  -1.755
 7335TIP3    H128314   0.987   3.064  -1.834
 7335TIP3    H228315   1.016   3.124  -1.700
 7336TIP3   OH228316  -0.309   2.766  -0.684
 7336TIP3    H128317  -0.383   2.760  -0.746
 7336TIP3    H228318  -0.354   2.743  -0.599
 7337TIP3   OH228319  -0.030   2.856  -1.119
 7337TIP3    H128320  -0.062   2.944  -1.145
 7337TIP3    H228321   0.066   2.868  -1.137
 7338TIP3   OH228322   0.419   2.991  -0.812
 7338TIP3    H128323   0.433   2.972  -0.718
 7338TIP3    H228324   0.503   3.034  -0.837
 7339TIP3   OH228325   0.649   3.135  -0.890
 7339TIP3    H128326   0.717   3.071  -0.911
 7339TIP3    H228327   0.679   3.166  -0.802
 7340TIP3   OH228328   1.175   1.424  -0.989
 7340TIP3    H128329   1.084   1.452  -0.973
 7340TIP3    H228330   1.171   1.332  -0.960
 7341TIP3   OH228331  -0.296   3.154  -1.085
 7341TIP3    H128332  -0.357   3.219  -1.124
 7341TIP3    H228333  -0.324   3.157  -0.993
 7342TIP3   OH228334  -0.053   3.128  -1.238
 7342TIP3    H128335  -0.131   3.150  -1.184
 7342TIP3    H228336  -0.042   3.208  -1.292
 7343TIP3   OH228337   0.427   3.135  -1.270
 7343TIP3    H128338   0.403   3.191  -1.345
 7343TIP3    H228339   0.440   3.203  -1.200
 7344TIP3   OH228340   0.664   3.004  -1.178
 7344TIP3    H128341   0.579   3.039  -1.210
 7344TIP3    H228342   0.720   3.082  -1.178
 7345TIP3   OH228343   0.915   3.176  -1.158
 7345TIP3    H128344   0.913   3.271  -1.181
 7345TIP3    H228345   0.945   3.138  -1.242
 7346TIP3   OH228346  -0.312   3.015  -1.395
 7346TIP3    H128347  -0.337   2.979  -1.307
 7346TIP3    H228348  -0.221   2.984  -1.398
 7347TIP3   OH228349   0.492   1.547  -1.528
 7347TIP3    H128350   0.413   1.498  -1.502
 7347TIP3    H228351   0.519   1.501  -1.609
 7348TIP3   OH228352   1.155   1.440  -1.663
 7348TIP3    H128353   1.226   1.402  -1.717
 7348TIP3    H228354   1.184   1.532  -1.653
 7349TIP3   OH228355  -0.267   1.379  -1.773
 7349TIP3    H128356  -0.358   1.372  -1.809
 7349TIP3    H228357  -0.242   1.287  -1.764
 7350TIP3   OH228358  -0.407   1.362  -2.178
 7350TIP3    H128359  -0.355   1.427  -2.228
 7350TIP3    H228360  -0.445   1.416  -2.108
 7351TIP3   OH228361   0.153   1.383  -1.769
 7351TIP3    H128362   0.243   1.416  -1.783
 7351TIP3    H228363   0.149   1.372  -1.673
 7352TIP3   OH228364   0.822   1.401  -2.060
 7352TIP3    H128365   0.742   1.457  -2.059
 7352TIP3    H228366   0.790   1.320  -2.015
 7353TIP3   OH228367  -0.389   2.959  -2.069
 7353TIP3    H128368  -0.456   2.947  -2.139
 7353TIP3    H228369  -0.395   3.055  -2.056
 7354TIP3   OH228370  -0.238   1.545  -2.335
 7354TIP3    H128371  -0.176   1.491  -2.388
 7354TIP3    H228372  -0.178   1.581  -2.267
 7355TIP3   OH228373   0.268   1.572  -2.071
 7355TIP3    H128374   0.307   1.515  -2.004
 7355TIP3    H228375   0.291   1.659  -2.037
 7356TIP3   OH228376   0.479   3.145  -2.251
 7356TIP3    H128377   0.576   3.142  -2.257
 7356TIP3    H228378   0.455   3.079  -2.318
 7357TIP3   OH228379   1.124   3.046  -1.993
 7357TIP3    H128380   1.104   2.959  -2.034
 7357TIP3    H228381   1.128   3.102  -2.072
 7358TIP3   OH228382  -0.248   3.053  -2.385
 7358TIP3    H128383  -0.273   3.083  -2.296
 7358TIP3    H228384  -0.169   3.000  -2.369
 7359TIP3   OH228385   1.077   2.924  -0.755
 7359TIP3    H128386   1.003   2.903  -0.815
 7359TIP3    H228387   1.059   3.017  -0.735
 7360TIP3   OH228388   2.510   2.290  -1.756
 7360TIP3    H128389   2.504   2.383  -1.728
 7360TIP3    H228390   2.423   2.278  -1.798
 7361TIP3   OH228391   2.390   2.229  -1.440
 7361TIP3    H128392   2.382   2.182  -1.355
 7361TIP3    H228393   2.352   2.164  -1.500
 7362TIP3   OH228394   1.630   2.194  -1.268
 7362TIP3    H128395   1.626   2.118  -1.207
 7362TIP3    H228396   1.700   2.247  -1.226
 7363TIP3   OH228397   2.747   2.507  -1.603
 7363TIP3    H128398   2.712   2.439  -1.543
 7363TIP3    H228399   2.784   2.569  -1.538
 7364TIP3   OH228400   1.695   2.658  -1.419
 7364TIP3    H128401   1.671   2.566  -1.443
 7364TIP3    H228402   1.787   2.644  -1.393
 7365TIP3   OH228403   1.393   1.994  -1.880
 7365TIP3    H128404   1.354   2.081  -1.866
 7365TIP3    H228405   1.319   1.946  -1.920
 7366TIP3   OH228406   1.476   2.242  -1.692
 7366TIP3    H128407   1.490   2.159  -1.643
 7366TIP3    H228408   1.560   2.250  -1.739
 7367TIP3   OH228409   2.455   3.044  -1.546
 7367TIP3    H128410   2.514   2.973  -1.577
 7367TIP3    H228411   2.429   3.011  -1.459
 7368TIP3   OH228412   2.232   2.484  -1.379
 7368TIP3    H128413   2.265   2.413  -1.436
 7368TIP3    H228414   2.312   2.500  -1.326
 7369TIP3   OH228415   3.102   1.635  -1.319
 7369TIP3    H128416   3.114   1.697  -1.245
 7369TIP3    H228417   3.164   1.673  -1.385
 7370TIP3   OH228418   2.566   1.921  -1.329
 7370TIP3    H128419   2.579   1.825  -1.322
 7370TIP3    H228420   2.549   1.931  -1.424
 7371TIP3   OH228421   1.860   1.723  -1.622
 7371TIP3    H128422   1.871   1.809  -1.665
 7371TIP3    H228423   1.820   1.671  -1.694
 7372TIP3   OH228424   2.643   1.735  -1.792
 7372TIP3    H128425   2.702   1.696  -1.723
 7372TIP3    H228426   2.705   1.787  -1.844
 7373TIP3   OH228427   1.528   1.992  -1.568
 7373TIP3    H128428   1.590   1.945  -1.509
 7373TIP3    H228429   1.537   1.942  -1.650
 7374TIP3   OH228430   2.072   2.129  -1.622
 7374TIP3    H128431   2.134   2.069  -1.575
 7374TIP3    H228432   2.017   2.064  -1.670
 7375TIP3   OH228433   3.166   1.771  -1.065
 7375TIP3    H128434   3.125   1.852  -1.100
 7375TIP3    H228435   3.134   1.775  -0.974
 7376TIP3   OH228436   1.764   1.596  -1.203
 7376TIP3    H128437   1.737   1.670  -1.260
 7376TIP3    H228438   1.705   1.609  -1.127
 7377TIP3   OH228439   2.494   2.579  -1.869
 7377TIP3    H128440   2.450   2.553  -1.950
 7377TIP3    H228441   2.444   2.659  -1.844
 7378TIP3   OH228442   2.032   2.387  -1.190
 7378TIP3    H128443   1.957   2.445  -1.165
 7378TIP3    H228444   2.093   2.449  -1.233
 7379TIP3   OH228445   2.826   1.662  -1.586
 7379TIP3    H128446   2.784   1.602  -1.523
 7379TIP3    H228447   2.875   1.722  -1.527
 7380TIP3   OH228448   1.696   1.805  -1.410
 7380TIP3    H128449   1.760   1.862  -1.361
 7380TIP3    H228450   1.756   1.766  -1.477
 7381TIP3   OH228451   1.829   2.574  -1.120
 7381TIP3    H128452   1.825   2.668  -1.147
 7381TIP3    H228453   1.744   2.565  -1.074
 7382TIP3   OH228454   1.462   2.545  -2.031
 7382TIP3    H128455   1.439   2.595  -2.111
 7382TIP3    H228456   1.477   2.614  -1.963
 7383TIP3   OH228457   2.806   2.675  -1.357
 7383TIP3    H128458   2.714   2.706  -1.354
 7383TIP3    H228459   2.852   2.753  -1.392
 7384TIP3   OH228460   2.841   1.576  -1.195
 7384TIP3    H128461   2.763   1.612  -1.240
 7384TIP3    H228462   2.911   1.587  -1.263
 7385TIP3   OH228463   2.149   1.352  -1.495
 7385TIP3    H128464   2.128   1.256  -1.495
 7385TIP3    H228465   2.065   1.389  -1.460
 7386TIP3   OH228466   2.635   2.884  -1.700
 7386TIP3    H128467   2.686   2.804  -1.723
 7386TIP3    H228468   2.704   2.953  -1.704
 7387TIP3   OH228469   2.788   2.663  -1.842
 7387TIP3    H128470   2.717   2.624  -1.897
 7387TIP3    H228471   2.781   2.609  -1.761
 7388TIP3   OH228472   2.912   2.540  -0.998
 7388TIP3    H128473   2.935   2.472  -1.065
 7388TIP3    H228474   2.949   2.620  -1.039
 7389TIP3   OH228475   2.362   2.240  -2.017
 7389TIP3    H128476   2.294   2.302  -2.050
 7389TIP3    H228477   2.431   2.249  -2.084
 7390TIP3   OH228478   2.393   2.058  -2.305
 7390TIP3    H128479   2.465   2.093  -2.250
 7390TIP3    H228480   2.443   2.007  -2.371
 7391TIP3   OH228481   2.739   2.203  -1.879
 7391TIP3    H128482   2.664   2.261  -1.851
 7391TIP3    H228483   2.746   2.155  -1.795
 7392TIP3   OH228484   2.695   2.090  -1.022
 7392TIP3    H128485   2.699   2.167  -0.964
 7392TIP3    H228486   2.636   2.125  -1.090
 7393TIP3   OH228487   1.875   2.320  -1.733
 7393TIP3    H128488   1.841   2.275  -1.812
 7393TIP3    H228489   1.935   2.254  -1.696
 7394TIP3   OH228490   2.011   2.662  -1.458
 7394TIP3    H128491   1.998   2.618  -1.543
 7394TIP3    H228492   2.089   2.615  -1.423
 7395TIP3   OH228493   1.929   2.208  -1.388
 7395TIP3    H128494   1.993   2.207  -1.461
 7395TIP3    H228495   1.970   2.267  -1.322
 7396TIP3   OH228496   2.519   2.755  -1.325
 7396TIP3    H128497   2.529   2.819  -1.253
 7396TIP3    H228498   2.506   2.671  -1.277
 7397TIP3   OH228499   2.016   2.633  -0.898
 7397TIP3    H128500   1.963   2.699  -0.849
 7397TIP3    H228501   1.952   2.605  -0.966
 7398TIP3   OH228502   2.618   2.171  -2.154
 7398TIP3    H128503   2.667   2.203  -2.076
 7398TIP3    H228504   2.660   2.225  -2.225
 7399TIP3   OH228505   1.712   2.277  -0.991
 7399TIP3    H128506   1.717   2.324  -0.906
 7399TIP3    H228507   1.617   2.252  -0.993
 7400TIP3   OH228508   2.354   2.846  -1.806
 7400TIP3    H128509   2.402   2.875  -1.727
 7400TIP3    H228510   2.304   2.926  -1.831
 7401TIP3   OH228511   1.824   2.853  -0.815
 7401TIP3    H128512   1.814   2.853  -0.911
 7401TIP3    H228513   1.737   2.824  -0.783
 7402TIP3   OH228514   2.952   1.363  -2.211
 7402TIP3    H128515   2.865   1.373  -2.167
 7402TIP3    H228516   2.987   1.453  -2.206
 7403TIP3   OH228517   1.764   2.194  -1.977
 7403TIP3    H128518   1.743   2.270  -2.033
 7403TIP3    H228519   1.698   2.129  -2.004
 7404TIP3   OH228520   3.091   2.775  -2.360
 7404TIP3    H128521   3.106   2.868  -2.336
 7404TIP3    H228522   3.177   2.734  -2.339
 7405TIP3   OH228523   1.369   2.461  -1.104
 7405TIP3    H128524   1.326   2.459  -1.191
 7405TIP3    H228525   1.387   2.367  -1.087
 7406TIP3   OH228526   1.377   2.758  -1.413
 7406TIP3    H128527   1.467   2.723  -1.407
 7406TIP3    H228528   1.373   2.812  -1.333
 7407TIP3   OH228529   3.213   2.801  -0.829
 7407TIP3    H128530   3.198   2.705  -0.847
 7407TIP3    H228531   3.121   2.828  -0.807
 7408TIP3   OH228532   2.279   2.737  -0.954
 7408TIP3    H128533   2.286   2.820  -0.902
 7408TIP3    H228534   2.188   2.708  -0.931
 7409TIP3   OH228535   2.306   3.119  -1.957
 7409TIP3    H128536   2.309   3.129  -2.054
 7409TIP3    H228537   2.313   3.211  -1.926
 7410TIP3   OH228538   1.687   3.034  -1.793
 7410TIP3    H128539   1.704   2.988  -1.708
 7410TIP3    H228540   1.607   2.989  -1.823
 7411TIP3   OH228541   2.638   3.061  -2.240
 7411TIP3    H128542   2.695   2.995  -2.283
 7411TIP3    H228543   2.632   3.024  -2.149
 7412TIP3   OH228544   2.577   3.003  -1.960
 7412TIP3    H128545   2.481   3.016  -1.944
 7412TIP3    H228546   2.596   2.935  -1.893
 7413TIP3   OH228547   2.875   1.942  -0.773
 7413TIP3    H128548   2.877   2.001  -0.849
 7413TIP3    H228549   2.904   1.858  -0.814
 7414TIP3   OH228550   1.588   2.618  -0.978
 7414TIP3    H128551   1.618   2.569  -0.899
 7414TIP3    H228552   1.517   2.560  -1.013
 7415TIP3   OH228553   1.901   1.460  -1.414
 7415TIP3    H128554   1.809   1.441  -1.439
 7415TIP3    H228555   1.887   1.525  -1.342
 7416TIP3   OH228556   2.337   1.401  -1.026
 7416TIP3    H128557   2.381   1.349  -0.957
 7416TIP3    H228558   2.243   1.389  -1.008
 7417TIP3   OH228559   2.652   1.796  -0.989
 7417TIP3    H128560   2.608   1.790  -0.902
 7417TIP3    H228561   2.662   1.893  -1.000
 7418TIP3   OH228562   2.761   2.286  -2.359
 7418TIP3    H128563   2.740   2.276  -2.454
 7418TIP3    H228564   2.852   2.320  -2.364
 7419TIP3   OH228565   2.332   1.671  -2.312
 7419TIP3    H128566   2.280   1.660  -2.231
 7419TIP3    H228567   2.289   1.606  -2.369
 7420TIP3   OH228568   1.885   1.944  -1.269
 7420TIP3    H128569   1.844   1.954  -1.182
 7420TIP3    H228570   1.895   2.037  -1.299
 7421TIP3   OH228571   1.889   1.953  -1.776
 7421TIP3    H128572   1.793   1.942  -1.790
 7421TIP3    H228573   1.923   1.929  -1.864
 7422TIP3   OH228574   2.451   2.005  -1.900
 7422TIP3    H128575   2.407   2.088  -1.926
 7422TIP3    H228576   2.519   2.000  -1.967
 7423TIP3   OH228577   2.377   2.034  -0.768
 7423TIP3    H128578   2.321   1.965  -0.728
 7423TIP3    H228579   2.464   2.015  -0.727
 7424TIP3   OH228580   2.530   1.947  -1.617
 7424TIP3    H128581   2.498   2.002  -1.691
 7424TIP3    H228582   2.550   1.864  -1.664
 7425TIP3   OH228583   1.621   1.964  -1.078
 7425TIP3    H128584   1.666   1.985  -0.995
 7425TIP3    H228585   1.597   1.870  -1.064
 7426TIP3   OH228586   1.972   1.717  -2.423
 7426TIP3    H128587   1.936   1.683  -2.338
 7426TIP3    H228588   1.891   1.731  -2.474
 7427TIP3   OH228589   1.308   1.693  -1.711
 7427TIP3    H128590   1.370   1.694  -1.636
 7427TIP3    H228591   1.361   1.656  -1.783
 7428TIP3   OH228592   1.472   1.746  -2.143
 7428TIP3    H128593   1.527   1.796  -2.207
 7428TIP3    H228594   1.402   1.812  -2.124
 7429TIP3   OH228595   2.444   2.115  -1.175
 7429TIP3    H128596   2.490   2.041  -1.223
 7429TIP3    H228597   2.416   2.071  -1.094
 7430TIP3   OH228598   2.164   1.707  -1.672
 7430TIP3    H128599   2.069   1.706  -1.647
 7430TIP3    H228600   2.205   1.690  -1.585
 7431TIP3   OH228601   1.622   1.831  -1.804
 7431TIP3    H128602   1.540   1.859  -1.849
 7431TIP3    H228603   1.649   1.752  -1.854
 7432TIP3   OH228604   1.987   1.862  -2.037
 7432TIP3    H128605   2.083   1.875  -2.030
 7432TIP3    H228606   1.960   1.924  -2.107
 7433TIP3   OH228607   2.604   1.623  -1.370
 7433TIP3    H128608   2.542   1.622  -1.293
 7433TIP3    H228609   2.544   1.590  -1.439
 7434TIP3   OH228610   1.832   1.988  -2.257
 7434TIP3    H128611   1.772   1.961  -2.329
 7434TIP3    H228612   1.913   2.008  -2.308
 7435TIP3   OH228613   2.905   3.202  -0.703
 7435TIP3    H128614   2.929   3.245  -0.787
 7435TIP3    H228615   2.977   3.231  -0.645
 7436TIP3   OH228616   1.698   2.468  -0.761
 7436TIP3    H128617   1.764   2.473  -0.689
 7436TIP3    H228618   1.617   2.457  -0.707
 7437TIP3   OH228619   2.264   1.958  -1.476
 7437TIP3    H128620   2.336   1.911  -1.518
 7437TIP3    H228621   2.242   1.898  -1.401
 7438TIP3   OH228622   1.793   1.603  -1.876
 7438TIP3    H128623   1.741   1.525  -1.852
 7438TIP3    H228624   1.876   1.564  -1.907
 7439TIP3   OH228625   2.168   1.801  -1.267
 7439TIP3    H128626   2.074   1.824  -1.257
 7439TIP3    H228627   2.200   1.809  -1.176
 7440TIP3   OH228628   2.180   2.446  -2.074
 7440TIP3    H128629   2.103   2.396  -2.110
 7440TIP3    H228630   2.158   2.452  -1.978
 7441TIP3   OH228631   2.929   2.359  -1.208
 7441TIP3    H128632   2.988   2.388  -1.278
 7441TIP3    H228633   2.844   2.349  -1.254
 7442TIP3   OH228634   2.593   1.737  -2.271
 7442TIP3    H128635   2.498   1.727  -2.295
 7442TIP3    H228636   2.598   1.830  -2.249
 7443TIP3   OH228637   2.343   2.448  -0.944
 7443TIP3    H128638   2.312   2.415  -0.859
 7443TIP3    H228639   2.313   2.541  -0.943
 7444TIP3   OH228640   2.762   1.925  -2.034
 7444TIP3    H128641   2.803   1.866  -2.100
 7444TIP3    H228642   2.706   1.982  -2.091
 7445TIP3   OH228643   1.692   2.388  -1.493
 7445TIP3    H128644   1.750   2.375  -1.570
 7445TIP3    H228645   1.702   2.303  -1.446
 7446TIP3   OH228646   2.418   2.583  -2.183
 7446TIP3    H128647   2.394   2.669  -2.144
 7446TIP3    H228648   2.342   2.529  -2.155
 7447TIP3   OH228649   1.423   2.216  -0.965
 7447TIP3    H128650   1.432   2.170  -0.879
 7447TIP3    H228651   1.363   2.155  -1.013
 7448TIP3   OH228652   2.117   2.171  -0.772
 7448TIP3    H128653   2.083   2.140  -0.858
 7448TIP3    H228654   2.210   2.141  -0.780
 7449TIP3   OH228655   2.567   2.708  -0.998
 7449TIP3    H128656   2.471   2.717  -1.001
 7449TIP3    H228657   2.588   2.732  -0.907
 7450TIP3   OH228658   3.098   1.927  -2.094
 7450TIP3    H128659   3.063   1.882  -2.173
 7450TIP3    H228660   3.123   2.012  -2.135
 7451TIP3   OH228661   3.162   2.522  -0.835
 7451TIP3    H128662   3.066   2.513  -0.848
 7451TIP3    H228663   3.194   2.470  -0.911
 7452TIP3   OH228664   2.930   2.767  -2.117
 7452TIP3    H128665   2.921   2.699  -2.049
 7452TIP3    H228666   3.000   2.733  -2.175
 7453TIP3   OH228667   2.674   2.301  -1.371
 7453TIP3    H128668   2.581   2.282  -1.391
 7453TIP3    H228669   2.720   2.227  -1.412
 7454TIP3   OH228670   1.931   2.713  -1.771
 7454TIP3    H128671   1.973   2.801  -1.779
 7454TIP3    H228672   1.839   2.734  -1.789
 7455TIP3   OH228673   1.529   2.195  -2.307
 7455TIP3    H128674   1.586   2.263  -2.266
 7455TIP3    H228675   1.442   2.217  -2.270
 7456TIP3   OH228676   2.114   2.484  -1.806
 7456TIP3    H128677   2.083   2.575  -1.790
 7456TIP3    H228678   2.044   2.432  -1.763
 7457TIP3   OH228679   2.130   2.910  -1.169
 7457TIP3    H128680   2.187   2.984  -1.197
 7457TIP3    H228681   2.191   2.859  -1.114
 7458TIP3   OH228682   1.975   3.005  -1.846
 7458TIP3    H128683   1.879   3.020  -1.836
 7458TIP3    H228684   2.011   3.092  -1.821
 7459TIP3   OH228685   2.473   2.480  -1.217
 7459TIP3    H128686   2.445   2.457  -1.127
 7459TIP3    H228687   2.551   2.424  -1.230
 7460TIP3   OH228688   2.688   2.612  -2.321
 7460TIP3    H128689   2.731   2.571  -2.244
 7460TIP3    H228690   2.595   2.600  -2.295
 7461TIP3   OH228691   2.760   2.945  -0.967
 7461TIP3    H128692   2.688   2.898  -1.015
 7461TIP3    H228693   2.778   3.019  -1.027
 7462TIP3   OH228694   3.162   3.041  -2.267
 7462TIP3    H128695   3.232   3.105  -2.287
 7462TIP3    H228696   3.085   3.101  -2.267
 7463TIP3   OH228697   1.556   1.684  -1.025
 7463TIP3    H128698   1.462   1.713  -1.030
 7463TIP3    H228699   1.547   1.598  -0.980
 7464TIP3   OH228700   2.784   2.462  -2.083
 7464TIP3    H128701   2.763   2.403  -2.010
 7464TIP3    H228702   2.879   2.477  -2.072
 7465TIP3   OH228703   1.527   2.854  -1.165
 7465TIP3    H128704   1.555   2.763  -1.149
 7465TIP3    H228705   1.548   2.895  -1.080
 7466TIP3   OH228706   2.112   2.720  -2.463
 7466TIP3    H128707   2.141   2.641  -2.512
 7466TIP3    H228708   2.070   2.681  -2.385
 7467TIP3   OH228709   1.998   2.672  -2.193
 7467TIP3    H128710   2.046   2.619  -2.128
 7467TIP3    H228711   2.011   2.763  -2.159
 7468TIP3   OH228712   1.680   2.416  -2.153
 7468TIP3    H128713   1.607   2.453  -2.100
 7468TIP3    H228714   1.727   2.498  -2.179
 7469TIP3   OH228715   2.449   1.650  -1.147
 7469TIP3    H128716   2.509   1.681  -1.077
 7469TIP3    H228717   2.397   1.581  -1.102
 7470TIP3   OH228718   2.511   1.604  -2.023
 7470TIP3    H128719   2.532   1.653  -2.104
 7470TIP3    H228720   2.556   1.654  -1.954
 7471TIP3   OH228721   2.292   2.834  -2.129
 7471TIP3    H128722   2.210   2.883  -2.111
 7471TIP3    H228723   2.327   2.882  -2.205
 7472TIP3   OH228724   2.254   1.806  -1.929
 7472TIP3    H128725   2.328   1.868  -1.911
 7472TIP3    H228726   2.221   1.788  -1.839
 7473TIP3   OH228727   2.280   1.887  -1.002
 7473TIP3    H128728   2.300   1.952  -0.932
 7473TIP3    H228729   2.352   1.824  -0.993
 7474TIP3   OH228730   2.308   1.506  -1.836
 7474TIP3    H128731   2.289   1.572  -1.767
 7474TIP3    H228732   2.381   1.549  -1.884
 7475TIP3   OH228733   2.011   2.942  -2.129
 7475TIP3    H128734   2.005   3.024  -2.183
 7475TIP3    H228735   1.998   2.976  -2.038
 7476TIP3   OH228736   1.885   1.609  -2.184
 7476TIP3    H128737   1.882   1.683  -2.121
 7476TIP3    H228738   1.965   1.562  -2.155
 7477TIP3   OH228739   2.916   1.702  -0.924
 7477TIP3    H128740   2.820   1.711  -0.938
 7477TIP3    H228741   2.941   1.677  -1.015
 7478TIP3   OH228742   2.791   2.069  -1.596
 7478TIP3    H128743   2.699   2.043  -1.580
 7478TIP3    H228744   2.837   2.020  -1.525
 7479TIP3   OH228745   1.724   2.698  -2.276
 7479TIP3    H128746   1.798   2.746  -2.236
 7479TIP3    H228747   1.773   2.646  -2.342
 7480TIP3   OH228748   1.539   1.916  -2.365
 7480TIP3    H128749   1.550   2.009  -2.341
 7480TIP3    H228750   1.450   1.915  -2.402
 7481TIP3   OH228751   2.862   2.971  -1.381
 7481TIP3    H128752   2.858   3.056  -1.430
 7481TIP3    H228753   2.956   2.967  -1.360
 7482TIP3   OH228754   1.615   1.369  -1.469
 7482TIP3    H128755   1.601   1.386  -1.564
 7482TIP3    H228756   1.571   1.284  -1.454
 7483TIP3   OH228757   1.520   2.768  -1.856
 7483TIP3    H128758   1.441   2.819  -1.834
 7483TIP3    H228759   1.557   2.820  -1.930
 7484TIP3   OH228760   1.459   3.059  -0.743
 7484TIP3    H128761   1.518   3.030  -0.671
 7484TIP3    H228762   1.422   2.973  -0.772
 7485TIP3   OH228763   1.928   2.962  -0.561
 7485TIP3    H128764   2.000   2.899  -0.545
 7485TIP3    H228765   1.905   2.940  -0.653
 7486TIP3   OH228766   2.334   2.891  -2.413
 7486TIP3    H128767   2.258   2.829  -2.422
 7486TIP3    H228768   2.405   2.836  -2.450
 7487TIP3   OH228769   2.572   2.796  -0.703
 7487TIP3    H128770   2.539   2.711  -0.669
 7487TIP3    H228771   2.646   2.815  -0.643
 7488TIP3   OH228772   2.796   2.880  -2.403
 7488TIP3    H128773   2.814   2.802  -2.348
 7488TIP3    H228774   2.877   2.884  -2.458
 7489TIP3   OH228775   1.456   2.426  -0.633
 7489TIP3    H128776   1.464   2.332  -0.656
 7489TIP3    H228777   1.379   2.452  -0.687
 7490TIP3   OH228778   1.877   2.464  -2.430
 7490TIP3    H128779   1.892   2.405  -2.354
 7490TIP3    H228780   1.963   2.459  -2.474
 7491TIP3   OH228781   2.118   2.441  -0.696
 7491TIP3    H128782   2.089   2.474  -0.782
 7491TIP3    H228783   2.125   2.345  -0.712
 7492TIP3   OH228784   2.401   2.597  -2.468
 7492TIP3    H128785   2.396   2.593  -2.371
 7492TIP3    H228786   2.396   2.501  -2.489
 7493TIP3   OH228787   2.659   2.402  -0.958
 7493TIP3    H128788   2.735   2.458  -0.982
 7493TIP3    H228789   2.586   2.467  -0.960
 7494TIP3   OH228790   1.570   2.138  -0.715
 7494TIP3    H128791   1.628   2.061  -0.707
 7494TIP3    H228792   1.548   2.153  -0.622
 7495TIP3   OH228793   1.986   2.272  -2.195
 7495TIP3    H128794   1.924   2.222  -2.140
 7495TIP3    H228795   2.014   2.203  -2.258
 7496TIP3   OH228796   1.900   2.034  -0.974
 7496TIP3    H128797   1.861   2.116  -0.940
 7496TIP3    H228798   1.973   2.067  -1.029
 7497TIP3   OH228799   2.080   2.073  -2.370
 7497TIP3    H128800   2.075   2.081  -2.467
 7497TIP3    H228801   2.176   2.071  -2.355
 7498TIP3   OH228802   2.442   2.322  -0.611
 7498TIP3    H128803   2.532   2.306  -0.642
 7498TIP3    H228804   2.416   2.234  -0.579
 7499TIP3   OH228805   3.031   2.324  -2.436
 7499TIP3    H128806   3.021   2.283  -2.523
 7499TIP3    H228807   3.021   2.419  -2.460
 7500TIP3   OH228808   2.155   2.168  -1.068
 7500TIP3    H128809   2.237   2.159  -1.120
 7500TIP3    H228810   2.122   2.254  -1.100
 7501TIP3   OH228811   2.617   1.967  -0.591
 7501TIP3    H128812   2.635   1.872  -0.584
 7501TIP3    H228813   2.707   2.000  -0.610
 7502TIP3   OH228814   2.747   2.247  -0.753
 7502TIP3    H128815   2.707   2.308  -0.818
 7502TIP3    H228816   2.832   2.230  -0.794
 7503TIP3   OH228817   1.812   1.925  -0.681
 7503TIP3    H128818   1.740   1.859  -0.678
 7503TIP3    H228819   1.868   1.895  -0.754
 7504TIP3   OH228820   2.178   1.841  -0.682
 7504TIP3    H128821   2.167   1.788  -0.601
 7504TIP3    H228822   2.117   1.801  -0.745
 7505TIP3   OH228823   2.445   1.720  -0.789
 7505TIP3    H128824   2.357   1.715  -0.750
 7505TIP3    H228825   2.494   1.652  -0.739
 7506TIP3   OH228826   2.623   1.543  -0.646
 7506TIP3    H128827   2.627   1.449  -0.621
 7506TIP3    H228828   2.616   1.588  -0.560
 7507TIP3   OH228829   2.057   3.197  -2.260
 7507TIP3    H128830   2.153   3.208  -2.249
 7507TIP3    H228831   2.044   3.242  -2.344
 7508TIP3   OH228832   1.448   2.638  -2.309
 7508TIP3    H128833   1.543   2.655  -2.293
 7508TIP3    H228834   1.449   2.557  -2.364
 7509TIP3   OH228835   1.344   3.158  -1.827
 7509TIP3    H128836   1.276   3.118  -1.885
 7509TIP3    H228837   1.358   3.086  -1.762
 7510TIP3   OH228838   1.385   2.959  -1.634
 7510TIP3    H128839   1.357   2.871  -1.603
 7510TIP3    H228840   1.423   2.992  -1.551
 7511TIP3   OH228841   3.143   3.108  -1.333
 7511TIP3    H128842   3.156   3.069  -1.246
 7511TIP3    H228843   3.233   3.106  -1.368
 7512TIP3   OH228844   3.129   3.027  -1.040
 7512TIP3    H128845   3.081   2.952  -1.080
 7512TIP3    H228846   3.190   2.978  -0.983
 7513TIP3   OH228847   2.927   2.570  -0.615
 7513TIP3    H128848   2.840   2.580  -0.573
 7513TIP3    H228849   2.975   2.650  -0.588
 7514TIP3   OH228850   3.075   2.452  -2.041
 7514TIP3    H128851   3.162   2.492  -2.020
 7514TIP3    H228852   3.058   2.400  -1.961
 7515TIP3   OH228853   3.076   2.191  -1.811
 7515TIP3    H128854   3.032   2.199  -1.725
 7515TIP3    H228855   3.159   2.239  -1.788
 7516TIP3   OH228856   2.962   2.808  -1.120
 7516TIP3    H128857   2.882   2.832  -1.071
 7516TIP3    H228858   2.927   2.762  -1.198
 7517TIP3   OH228859   3.133   2.200  -2.181
 7517TIP3    H128860   3.090   2.226  -2.264
 7517TIP3    H228861   3.130   2.285  -2.133
 7518TIP3   OH228862   2.968   1.959  -2.361
 7518TIP3    H128863   2.994   2.018  -2.432
 7518TIP3    H228864   2.947   1.877  -2.409
 7519TIP3   OH228865   1.395   2.294  -1.394
 7519TIP3    H128866   1.420   2.298  -1.488
 7519TIP3    H228867   1.481   2.271  -1.353
 7520TIP3   OH228868   2.912   1.696  -2.436
 7520TIP3    H128869   2.975   1.642  -2.385
 7520TIP3    H228870   2.837   1.636  -2.451
 7521TIP3   OH228871   2.924   1.885  -1.413
 7521TIP3    H128872   3.021   1.900  -1.407
 7521TIP3    H228873   2.902   1.894  -1.319
 7522TIP3   OH228874   2.940   1.969  -1.137
 7522TIP3    H128875   2.857   2.004  -1.099
 7522TIP3    H228876   2.999   2.045  -1.123
 7523TIP3   OH228877   3.201   1.367  -0.589
 7523TIP3    H128878   3.212   1.295  -0.652
 7523TIP3    H228879   3.190   1.444  -0.648
 7524TIP3   OH228880   2.938   1.594  -1.950
 7524TIP3    H128881   2.953   1.561  -1.859
 7524TIP3    H228882   2.865   1.536  -1.979
 7525TIP3   OH228883   1.470   1.648  -1.478
 7525TIP3    H128884   1.510   1.564  -1.452
 7525TIP3    H228885   1.535   1.711  -1.440
 7526TIP3   OH228886   1.320   1.925  -1.370
 7526TIP3    H128887   1.378   1.928  -1.447
 7526TIP3    H228888   1.353   2.000  -1.318
 7527TIP3   OH228889   3.128   1.565  -0.762
 7527TIP3    H128890   3.043   1.612  -0.761
 7527TIP3    H228891   3.120   1.517  -0.846
 7528TIP3   OH228892   3.142   1.594  -2.287
 7528TIP3    H128893   3.170   1.510  -2.326
 7528TIP3    H228894   3.227   1.640  -2.276
 7529TIP3   OH228895   1.369   1.544  -1.973
 7529TIP3    H128896   1.273   1.561  -1.977
 7529TIP3    H228897   1.407   1.616  -2.027
 7530TIP3   OH228898   2.828   3.095  -1.755
 7530TIP3    H128899   2.878   3.064  -1.833
 7530TIP3    H228900   2.899   3.123  -1.696
 7531TIP3   OH228901   1.368   1.428  -1.180
 7531TIP3    H128902   1.309   1.430  -1.102
 7531TIP3    H228903   1.324   1.493  -1.236
 7532TIP3   OH228904   1.570   2.769  -0.680
 7532TIP3    H128905   1.500   2.756  -0.746
 7532TIP3    H228906   1.523   2.753  -0.597
 7533TIP3   OH228907   1.854   2.859  -1.114
 7533TIP3    H128908   1.824   2.944  -1.149
 7533TIP3    H228909   1.950   2.867  -1.131
 7534TIP3   OH228910   2.304   2.991  -0.812
 7534TIP3    H128911   2.321   2.972  -0.719
 7534TIP3    H228912   2.387   3.034  -0.839
 7535TIP3   OH228913   2.533   3.135  -0.889
 7535TIP3    H128914   2.603   3.073  -0.914
 7535TIP3    H228915   2.564   3.165  -0.802
 7536TIP3   OH228916   3.029   1.398  -0.973
 7536TIP3    H128917   2.942   1.423  -1.009
 7536TIP3    H228918   3.034   1.306  -1.005
 7537TIP3   OH228919   1.592   3.155  -1.081
 7537TIP3    H128920   1.531   3.218  -1.124
 7537TIP3    H228921   1.558   3.157  -0.991
 7538TIP3   OH228922   1.840   3.131  -1.226
 7538TIP3    H128923   1.755   3.150  -1.181
 7538TIP3    H228924   1.844   3.202  -1.293
 7539TIP3   OH228925   2.315   3.131  -1.270
 7539TIP3    H128926   2.278   3.177  -1.347
 7539TIP3    H228927   2.325   3.205  -1.206
 7540TIP3   OH228928   2.548   3.002  -1.178
 7540TIP3    H128929   2.465   3.040  -1.211
 7540TIP3    H228930   2.607   3.079  -1.180
 7541TIP3   OH228931   2.799   3.176  -1.158
 7541TIP3    H128932   2.798   3.270  -1.183
 7541TIP3    H228933   2.832   3.135  -1.240
 7542TIP3   OH228934   1.549   3.034  -1.387
 7542TIP3    H128935   1.547   2.985  -1.301
 7542TIP3    H228936   1.625   2.990  -1.430
 7543TIP3   OH228937   1.752   2.909  -1.543
 7543TIP3    H128938   1.736   2.816  -1.516
 7543TIP3    H228939   1.843   2.924  -1.511
 7544TIP3   OH228940   2.027   2.955  -1.454
 7544TIP3    H128941   2.046   2.862  -1.475
 7544TIP3    H228942   2.035   2.953  -1.357
 7545TIP3   OH228943   2.362   1.545  -1.525
 7545TIP3    H128944   2.290   1.481  -1.508
 7545TIP3    H228945   2.421   1.494  -1.582
 7546TIP3   OH228946   2.857   1.346  -1.480
 7546TIP3    H128947   2.931   1.393  -1.523
 7546TIP3    H228948   2.780   1.376  -1.532
 7547TIP3   OH228949   3.060   1.459  -1.700
 7547TIP3    H128950   3.132   1.415  -1.749
 7547TIP3    H228951   3.097   1.548  -1.684
 7548TIP3   OH228952   1.605   1.406  -1.761
 7548TIP3    H128953   1.516   1.396  -1.799
 7548TIP3    H228954   1.644   1.319  -1.774
 7549TIP3   OH228955   1.480   1.361  -2.180
 7549TIP3    H128956   1.530   1.429  -2.229
 7549TIP3    H228957   1.438   1.414  -2.110
 7550TIP3   OH228958   2.040   1.388  -1.784
 7550TIP3    H128959   2.130   1.423  -1.793
 7550TIP3    H228960   2.032   1.386  -1.687
 7551TIP3   OH228961   2.600   1.403  -1.640
 7551TIP3    H128962   2.631   1.382  -1.730
 7551TIP3    H228963   2.563   1.317  -1.612
 7552TIP3   OH228964   2.718   1.406  -2.043
 7552TIP3    H128965   2.633   1.453  -2.053
 7552TIP3    H228966   2.688   1.316  -2.023
 7553TIP3   OH228967   1.494   2.961  -2.062
 7553TIP3    H128968   1.431   2.947  -2.135
 7553TIP3    H228969   1.494   3.057  -2.057
 7554TIP3   OH228970   1.647   1.545  -2.336
 7554TIP3    H128971   1.710   1.492  -2.388
 7554TIP3    H228972   1.705   1.580  -2.266
 7555TIP3   OH228973   2.158   1.564  -2.076
 7555TIP3    H128974   2.193   1.508  -2.004
 7555TIP3    H228975   2.175   1.651  -2.037
 7556TIP3   OH228976   2.362   3.144  -2.252
 7556TIP3    H128977   2.460   3.144  -2.256
 7556TIP3    H228978   2.342   3.078  -2.320
 7557TIP3   OH228979   3.012   3.047  -1.994
 7557TIP3    H128980   2.989   2.963  -2.038
 7557TIP3    H228981   3.009   3.109  -2.069
 7558TIP3   OH228982   1.638   3.056  -2.384
 7558TIP3    H128983   1.616   3.083  -2.293
 7558TIP3    H228984   1.715   2.998  -2.370
 7559TIP3   OH228985   2.961   2.922  -0.751
 7559TIP3    H128986   2.892   2.903  -0.817
 7559TIP3    H228987   2.947   3.017  -0.737
 7560TIP3   OH228988   4.187   2.217  -1.456
 7560TIP3    H128989   4.250   2.226  -1.382
 7560TIP3    H228990   4.234   2.148  -1.506
 7561TIP3   OH228991   3.527   2.192  -1.277
 7561TIP3    H128992   3.517   2.114  -1.219
 7561TIP3    H228993   3.572   2.253  -1.218
 7562TIP3   OH228994   3.613   2.665  -1.424
 7562TIP3    H128995   3.549   2.593  -1.437
 7562TIP3    H228996   3.692   2.617  -1.397
 7563TIP3   OH228997   3.280   1.984  -1.883
 7563TIP3    H128998   3.251   2.075  -1.861
 7563TIP3    H228999   3.214   1.953  -1.946
 7564TIP3   OH229000   3.340   2.232  -1.715
 7564TIP3    H129001   3.351   2.179  -1.634
 7564TIP3    H229002   3.431   2.263  -1.729
 7565TIP3   OH229003   3.727   1.704  -1.622
 7565TIP3    H129004   3.754   1.793  -1.650
 7565TIP3    H229005   3.689   1.668  -1.704
 7566TIP3   OH229006   3.413   1.983  -1.563
 7566TIP3    H129007   3.481   1.946  -1.505
 7566TIP3    H229008   3.430   1.936  -1.646
 7567TIP3   OH229009   3.618   1.593  -1.194
 7567TIP3    H129010   3.597   1.653  -1.267
 7567TIP3    H229011   3.556   1.623  -1.126
 7568TIP3   OH229012   3.929   2.395  -1.204
 7568TIP3    H129013   3.845   2.435  -1.175
 7568TIP3    H229014   3.987   2.472  -1.199
 7569TIP3   OH229015   3.611   1.819  -1.394
 7569TIP3    H129016   3.678   1.878  -1.356
 7569TIP3    H229017   3.665   1.778  -1.465
 7570TIP3   OH229018   3.717   2.569  -1.115
 7570TIP3    H129019   3.712   2.661  -1.149
 7570TIP3    H229020   3.628   2.564  -1.074
 7571TIP3   OH229021   3.344   2.543  -2.030
 7571TIP3    H129022   3.328   2.596  -2.109
 7571TIP3    H229023   3.364   2.612  -1.962
 7572TIP3   OH229024   4.042   1.347  -1.493
 7572TIP3    H129025   4.015   1.253  -1.491
 7572TIP3    H229026   3.963   1.389  -1.453
 7573TIP3   OH229027   4.261   2.226  -2.027
 7573TIP3    H129028   4.198   2.298  -2.046
 7573TIP3    H229029   4.336   2.251  -2.081
 7574TIP3   OH229030   4.288   2.075  -2.307
 7574TIP3    H129031   4.369   2.075  -2.254
 7574TIP3    H229032   4.296   1.997  -2.362
 7575TIP3   OH229033   3.801   2.286  -1.729
 7575TIP3    H129034   3.738   2.274  -1.803
 7575TIP3    H229035   3.811   2.193  -1.703
 7576TIP3   OH229036   3.911   2.614  -1.450
 7576TIP3    H129037   3.904   2.625  -1.546
 7576TIP3    H229038   4.003   2.632  -1.429
 7577TIP3   OH229039   3.846   2.220  -1.430
 7577TIP3    H129040   3.865   2.125  -1.428
 7577TIP3    H229041   3.830   2.238  -1.335
 7578TIP3   OH229042   3.903   2.635  -0.900
 7578TIP3    H129043   3.852   2.701  -0.850
 7578TIP3    H229044   3.837   2.608  -0.967
 7579TIP3   OH229045   3.576   2.260  -0.985
 7579TIP3    H129046   3.584   2.315  -0.905
 7579TIP3    H229047   3.480   2.260  -0.996
 7580TIP3   OH229048   4.245   2.842  -1.807
 7580TIP3    H129049   4.299   2.891  -1.743
 7580TIP3    H229050   4.199   2.913  -1.854
 7581TIP3   OH229051   3.711   2.849  -0.816
 7581TIP3    H129052   3.700   2.853  -0.913
 7581TIP3    H229053   3.623   2.823  -0.785
 7582TIP3   OH229054   3.652   2.198  -1.971
 7582TIP3    H129055   3.629   2.270  -2.031
 7582TIP3    H229056   3.591   2.128  -1.997
 7583TIP3   OH229057   3.269   2.433  -1.101
 7583TIP3    H129058   3.231   2.446  -1.189
 7583TIP3    H229059   3.231   2.346  -1.076
 7584TIP3   OH229060   4.171   2.737  -0.950
 7584TIP3    H129061   4.181   2.824  -0.909
 7584TIP3    H229062   4.080   2.710  -0.925
 7585TIP3   OH229063   4.184   3.119  -1.959
 7585TIP3    H129064   4.206   3.123  -2.053
 7585TIP3    H229065   4.208   3.206  -1.926
 7586TIP3   OH229066   3.573   3.033  -1.793
 7586TIP3    H129067   3.590   2.987  -1.708
 7586TIP3    H229068   3.489   2.992  -1.819
 7587TIP3   OH229069   3.475   2.613  -0.981
 7587TIP3    H129070   3.501   2.564  -0.901
 7587TIP3    H229071   3.398   2.562  -1.014
 7588TIP3   OH229072   3.795   1.454  -1.401
 7588TIP3    H129073   3.711   1.457  -1.451
 7588TIP3    H229074   3.792   1.541  -1.357
 7589TIP3   OH229075   4.233   1.401  -0.974
 7589TIP3    H129076   4.244   1.325  -0.914
 7589TIP3    H229077   4.142   1.385  -1.007
 7590TIP3   OH229078   4.234   1.678  -2.300
 7590TIP3    H129079   4.168   1.659  -2.232
 7590TIP3    H229080   4.206   1.615  -2.368
 7591TIP3   OH229081   3.788   1.980  -1.764
 7591TIP3    H129082   3.694   1.962  -1.774
 7591TIP3    H229083   3.823   1.945  -1.848
 7592TIP3   OH229084   4.297   1.969  -1.883
 7592TIP3    H129085   4.273   2.062  -1.897
 7592TIP3    H229086   4.323   1.940  -1.971
 7593TIP3   OH229087   4.252   2.033  -0.746
 7593TIP3    H129088   4.194   1.954  -0.742
 7593TIP3    H229089   4.337   1.985  -0.744
 7594TIP3   OH229090   3.525   1.954  -1.093
 7594TIP3    H129091   3.535   2.000  -1.009
 7594TIP3    H229092   3.484   1.870  -1.067
 7595TIP3   OH229093   3.866   1.723  -2.425
 7595TIP3    H129094   3.827   1.688  -2.342
 7595TIP3    H229095   3.787   1.734  -2.480
 7596TIP3   OH229096   3.201   1.706  -1.714
 7596TIP3    H129097   3.263   1.711  -1.639
 7596TIP3    H229098   3.253   1.663  -1.783
 7597TIP3   OH229099   3.357   1.745  -2.143
 7597TIP3    H129100   3.413   1.794  -2.207
 7597TIP3    H229101   3.290   1.812  -2.123
 7598TIP3   OH229102   4.359   2.073  -1.135
 7598TIP3    H129103   4.365   2.016  -1.216
 7598TIP3    H229104   4.272   2.051  -1.104
 7599TIP3   OH229105   4.044   1.691  -1.668
 7599TIP3    H129106   3.951   1.699  -1.642
 7599TIP3    H229107   4.085   1.723  -1.586
 7600TIP3   OH229108   3.517   1.837  -1.808
 7600TIP3    H129109   3.432   1.862  -1.847
 7600TIP3    H229110   3.544   1.758  -1.858
 7601TIP3   OH229111   3.864   1.864  -2.033
 7601TIP3    H129112   3.960   1.869  -2.027
 7601TIP3    H229113   3.840   1.926  -2.104
 7602TIP3   OH229114   3.721   1.992  -2.259
 7602TIP3    H129115   3.661   1.962  -2.329
 7602TIP3    H229116   3.804   2.004  -2.309
 7603TIP3   OH229117   3.582   2.462  -0.763
 7603TIP3    H129118   3.649   2.471  -0.692
 7603TIP3    H229119   3.502   2.455  -0.709
 7604TIP3   OH229120   3.674   1.602  -1.884
 7604TIP3    H129121   3.622   1.523  -1.860
 7604TIP3    H229122   3.761   1.564  -1.903
 7605TIP3   OH229123   4.071   2.433  -2.073
 7605TIP3    H129124   3.995   2.385  -2.113
 7605TIP3    H229125   4.048   2.435  -1.979
 7606TIP3   OH229126   4.209   2.438  -0.948
 7606TIP3    H129127   4.183   2.422  -0.857
 7606TIP3    H229128   4.214   2.535  -0.953
 7607TIP3   OH229129   3.569   2.374  -1.504
 7607TIP3    H129130   3.648   2.361  -1.557
 7607TIP3    H229131   3.569   2.296  -1.446
 7608TIP3   OH229132   4.287   2.575  -2.175
 7608TIP3    H129133   4.260   2.665  -2.146
 7608TIP3    H229134   4.211   2.523  -2.144
 7609TIP3   OH229135   3.999   2.162  -0.764
 7609TIP3    H129136   3.959   2.130  -0.847
 7609TIP3    H229137   4.093   2.137  -0.777
 7610TIP3   OH229138   3.820   2.713  -1.771
 7610TIP3    H129139   3.856   2.802  -1.780
 7610TIP3    H229140   3.725   2.730  -1.778
 7611TIP3   OH229141   3.415   2.194  -2.304
 7611TIP3    H129142   3.475   2.260  -2.266
 7611TIP3    H229143   3.329   2.230  -2.277
 7612TIP3   OH229144   3.996   2.480  -1.754
 7612TIP3    H129145   3.973   2.570  -1.783
 7612TIP3    H229146   3.911   2.432  -1.769
 7613TIP3   OH229147   4.022   2.911  -1.170
 7613TIP3    H129148   4.078   2.985  -1.200
 7613TIP3    H229149   4.083   2.863  -1.112
 7614TIP3   OH229150   3.859   3.004  -1.846
 7614TIP3    H129151   3.764   3.019  -1.834
 7614TIP3    H229152   3.896   3.091  -1.821
 7615TIP3   OH229153   3.426   1.686  -0.988
 7615TIP3    H129154   3.339   1.707  -1.026
 7615TIP3    H229155   3.414   1.593  -0.963
 7616TIP3   OH229156   3.419   2.869  -1.161
 7616TIP3    H129157   3.414   2.773  -1.174
 7616TIP3    H229158   3.445   2.875  -1.069
 7617TIP3   OH229159   3.993   2.724  -2.463
 7617TIP3    H129160   4.029   2.648  -2.513
 7617TIP3    H229161   3.957   2.680  -2.384
 7618TIP3   OH229162   3.885   2.667  -2.188
 7618TIP3    H129163   3.936   2.619  -2.121
 7618TIP3    H229164   3.897   2.760  -2.159
 7619TIP3   OH229165   3.566   2.416  -2.152
 7619TIP3    H129166   3.493   2.455  -2.099
 7619TIP3    H229167   3.612   2.496  -2.181
 7620TIP3   OH229168   4.346   1.711  -1.106
 7620TIP3    H129169   4.358   1.642  -1.040
 7620TIP3    H229170   4.275   1.675  -1.162
 7621TIP3   OH229171   4.167   2.831  -2.136
 7621TIP3    H129172   4.089   2.884  -2.112
 7621TIP3    H229173   4.211   2.889  -2.199
 7622TIP3   OH229174   4.114   1.778  -1.928
 7622TIP3    H129175   4.185   1.841  -1.900
 7622TIP3    H229176   4.079   1.758  -1.839
 7623TIP3   OH229177   4.147   1.863  -0.984
 7623TIP3    H129178   4.169   1.955  -0.964
 7623TIP3    H229179   4.223   1.832  -1.036
 7624TIP3   OH229180   4.195   1.502  -1.810
 7624TIP3    H129181   4.163   1.579  -1.757
 7624TIP3    H229182   4.272   1.541  -1.855
 7625TIP3   OH229183   3.894   2.940  -2.130
 7625TIP3    H129184   3.891   3.022  -2.183
 7625TIP3    H229185   3.880   2.974  -2.039
 7626TIP3   OH229186   3.773   1.612  -2.190
 7626TIP3    H129187   3.767   1.681  -2.122
 7626TIP3    H229188   3.850   1.561  -2.161
 7627TIP3   OH229189   3.610   2.695  -2.276
 7627TIP3    H129190   3.682   2.747  -2.235
 7627TIP3    H229191   3.661   2.646  -2.342
 7628TIP3   OH229192   3.421   1.914  -2.359
 7628TIP3    H129193   3.436   2.009  -2.340
 7628TIP3    H229194   3.340   1.915  -2.411
 7629TIP3   OH229195   3.513   1.419  -1.484
 7629TIP3    H129196   3.496   1.419  -1.581
 7629TIP3    H229197   3.479   1.333  -1.456
 7630TIP3   OH229198   3.404   2.760  -1.868
 7630TIP3    H129199   3.336   2.807  -1.817
 7630TIP3    H229200   3.435   2.828  -1.930
 7631TIP3   OH229201   3.342   3.055  -0.744
 7631TIP3    H129202   3.402   3.028  -0.673
 7631TIP3    H229203   3.304   2.970  -0.771
 7632TIP3   OH229204   3.813   2.963  -0.563
 7632TIP3    H129205   3.882   2.897  -0.545
 7632TIP3    H229206   3.789   2.940  -0.655
 7633TIP3   OH229207   4.231   2.889  -2.431
 7633TIP3    H129208   4.147   2.837  -2.430
 7633TIP3    H229209   4.294   2.816  -2.445
 7634TIP3   OH229210   3.338   2.415  -0.626
 7634TIP3    H129211   3.356   2.329  -0.670
 7634TIP3    H229212   3.264   2.448  -0.681
 7635TIP3   OH229213   3.762   2.464  -2.430
 7635TIP3    H129214   3.779   2.405  -2.355
 7635TIP3    H229215   3.848   2.461  -2.476
 7636TIP3   OH229216   4.010   2.442  -0.700
 7636TIP3    H129217   3.977   2.474  -0.785
 7636TIP3    H229218   4.015   2.345  -0.714
 7637TIP3   OH229219   4.260   2.597  -2.474
 7637TIP3    H129220   4.279   2.607  -2.379
 7637TIP3    H229221   4.244   2.501  -2.479
 7638TIP3   OH229222   3.442   2.157  -0.704
 7638TIP3    H129223   3.479   2.071  -0.726
 7638TIP3    H229224   3.388   2.137  -0.627
 7639TIP3   OH229225   3.872   2.270  -2.194
 7639TIP3    H129226   3.808   2.219  -2.142
 7639TIP3    H229227   3.902   2.202  -2.258
 7640TIP3   OH229228   3.808   2.057  -0.964
 7640TIP3    H129229   3.737   2.123  -0.963
 7640TIP3    H229230   3.848   2.071  -1.051
 7641TIP3   OH229231   3.979   2.072  -2.367
 7641TIP3    H129232   3.970   2.078  -2.464
 7641TIP3    H229233   4.075   2.085  -2.356
 7642TIP3   OH229234   4.285   2.297  -0.598
 7642TIP3    H129235   4.355   2.267  -0.655
 7642TIP3    H229236   4.266   2.215  -0.549
 7643TIP3   OH229237   3.846   1.776  -0.857
 7643TIP3    H129238   3.869   1.715  -0.928
 7643TIP3    H229239   3.839   1.860  -0.905
 7644TIP3   OH229240   3.908   1.640  -1.145
 7644TIP3    H129241   3.946   1.712  -1.199
 7644TIP3    H229242   3.813   1.653  -1.161
 7645TIP3   OH229243   4.082   2.162  -1.072
 7645TIP3    H129244   4.120   2.145  -1.158
 7645TIP3    H229245   4.040   2.248  -1.087
 7646TIP3   OH229246   3.671   1.950  -0.660
 7646TIP3    H129247   3.621   1.871  -0.688
 7646TIP3    H229248   3.748   1.945  -0.718
 7647TIP3   OH229249   3.965   1.375  -1.072
 7647TIP3    H129250   3.953   1.468  -1.101
 7647TIP3    H229251   3.902   1.329  -1.130
 7648TIP3   OH229252   4.105   1.804  -0.696
 7648TIP3    H129253   4.056   1.781  -0.615
 7648TIP3    H229254   4.038   1.786  -0.765
 7649TIP3   OH229255   3.542   1.712  -0.684
 7649TIP3    H129256   3.522   1.663  -0.765
 7649TIP3    H229257   3.502   1.656  -0.615
 7650TIP3   OH229258   3.943   1.308  -0.795
 7650TIP3    H129259   4.005   1.234  -0.789
 7650TIP3    H229260   3.943   1.326  -0.891
 7651TIP3   OH229261   4.033   1.486  -0.598
 7651TIP3    H129262   4.010   1.433  -0.676
 7651TIP3    H229263   3.974   1.562  -0.606
 7652TIP3   OH229264   3.956   3.194  -2.259
 7652TIP3    H129265   4.052   3.202  -2.251
 7652TIP3    H229266   3.941   3.243  -2.341
 7653TIP3   OH229267   3.334   2.637  -2.306
 7653TIP3    H129268   3.429   2.656  -2.293
 7653TIP3    H229269   3.337   2.559  -2.365
 7654TIP3   OH229270   3.234   3.154  -1.830
 7654TIP3    H129271   3.162   3.116  -1.883
 7654TIP3    H229272   3.244   3.085  -1.760
 7655TIP3   OH229273   3.272   2.946  -1.630
 7655TIP3    H129274   3.242   2.858  -1.597
 7655TIP3    H229275   3.305   2.978  -1.544
 7656TIP3   OH229276   3.256   2.259  -1.396
 7656TIP3    H129277   3.269   2.327  -1.464
 7656TIP3    H229278   3.335   2.271  -1.340
 7657TIP3   OH229279   3.272   1.836  -0.696
 7657TIP3    H129280   3.336   1.838  -0.768
 7657TIP3    H229281   3.198   1.788  -0.735
 7658TIP3   OH229282   3.362   1.675  -1.469
 7658TIP3    H129283   3.405   1.588  -1.460
 7658TIP3    H229284   3.430   1.733  -1.432
 7659TIP3   OH229285   3.202   1.950  -1.358
 7659TIP3    H129286   3.266   1.939  -1.430
 7659TIP3    H229287   3.227   2.039  -1.328
 7660TIP3   OH229288   3.236   1.558  -1.970
 7660TIP3    H129289   3.143   1.583  -1.984
 7660TIP3    H229290   3.285   1.620  -2.028
 7661TIP3   OH229291   3.254   1.448  -1.150
 7661TIP3    H129292   3.183   1.430  -1.086
 7661TIP3    H229293   3.207   1.504  -1.214
 7662TIP3   OH229294   3.456   2.760  -0.682
 7662TIP3    H129295   3.385   2.753  -0.748
 7662TIP3    H229296   3.406   2.758  -0.599
 7663TIP3   OH229297   3.743   2.858  -1.112
 7663TIP3    H129298   3.704   2.939  -1.148
 7663TIP3    H229299   3.837   2.873  -1.131
 7664TIP3   OH229300   4.221   3.021  -0.825
 7664TIP3    H129301   4.204   2.987  -0.736
 7664TIP3    H229302   4.315   3.044  -0.817
 7665TIP3   OH229303   3.485   3.164  -1.077
 7665TIP3    H129304   3.420   3.217  -1.125
 7665TIP3    H229305   3.441   3.154  -0.992
 7666TIP3   OH229306   3.731   3.133  -1.224
 7666TIP3    H129307   3.645   3.147  -1.179
 7666TIP3    H229308   3.729   3.203  -1.291
 7667TIP3   OH229309   4.197   3.108  -1.269
 7667TIP3    H129310   4.177   3.159  -1.350
 7667TIP3    H229311   4.258   3.167  -1.222
 7668TIP3   OH229312   3.435   3.036  -1.385
 7668TIP3    H129313   3.422   2.981  -1.304
 7668TIP3    H229314   3.504   2.983  -1.429
 7669TIP3   OH229315   3.638   2.906  -1.551
 7669TIP3    H129316   3.616   2.817  -1.514
 7669TIP3    H229317   3.721   2.925  -1.505
 7670TIP3   OH229318   3.915   2.961  -1.453
 7670TIP3    H129319   3.933   2.869  -1.475
 7670TIP3    H229320   3.919   2.959  -1.356
 7671TIP3   OH229321   4.275   1.504  -1.522
 7671TIP3    H129322   4.185   1.470  -1.506
 7671TIP3    H229323   4.292   1.470  -1.610
 7672TIP3   OH229324   3.478   1.415  -1.768
 7672TIP3    H129325   3.392   1.397  -1.810
 7672TIP3    H229326   3.522   1.329  -1.780
 7673TIP3   OH229327   3.360   1.365  -2.179
 7673TIP3    H129328   3.412   1.431  -2.228
 7673TIP3    H229329   3.318   1.419  -2.110
 7674TIP3   OH229330   3.930   1.397  -1.780
 7674TIP3    H129331   4.022   1.427  -1.787
 7674TIP3    H229332   3.922   1.389  -1.684
 7675TIP3   OH229333   3.383   2.962  -2.067
 7675TIP3    H129334   3.316   2.950  -2.136
 7675TIP3    H229335   3.378   3.057  -2.054
 7676TIP3   OH229336   3.532   1.548  -2.337
 7676TIP3    H129337   3.592   1.491  -2.388
 7676TIP3    H229338   3.593   1.582  -2.268
 7677TIP3   OH229339   4.066   1.562  -2.082
 7677TIP3    H129340   4.064   1.498  -2.009
 7677TIP3    H229341   4.062   1.647  -2.033
 7678TIP3   OH229342   4.263   3.124  -2.254
 7678TIP3    H129343   4.351   3.162  -2.272
 7678TIP3    H229344   4.249   3.066  -2.331
 7679TIP3   OH229345   3.461   1.430  -0.821
 7679TIP3    H129346   3.426   1.357  -0.768
 7679TIP3    H229347   3.554   1.431  -0.791
 7680TIP3   OH229348   3.695   1.378  -0.642
 7680TIP3    H129349   3.780   1.346  -0.678
 7680TIP3    H229350   3.665   1.299  -0.594
 7681TIP3   OH229351   3.524   3.055  -2.384
 7681TIP3    H129352   3.499   3.080  -2.293
 7681TIP3    H229353   3.601   2.998  -2.369
 7682TIP3   OH229354  -3.158   4.202  -1.760
 7682TIP3    H129355  -3.188   4.294  -1.758
 7682TIP3    H229356  -3.233   4.161  -1.806
 7683TIP3   OH229357  -3.280   4.133  -1.432
 7683TIP3    H129358  -3.275   4.080  -1.350
 7683TIP3    H229359  -3.303   4.067  -1.498
 7684TIP3   OH229360  -4.021   4.074  -1.276
 7684TIP3    H129361  -4.033   4.005  -1.208
 7684TIP3    H229362  -3.967   4.138  -1.227
 7685TIP3   OH229363  -4.212   3.922  -1.995
 7685TIP3    H129364  -4.234   4.000  -1.942
 7685TIP3    H229365  -4.299   3.879  -2.004
 7686TIP3   OH229366  -4.194   4.120  -1.721
 7686TIP3    H129367  -4.196   4.057  -1.648
 7686TIP3    H229368  -4.100   4.142  -1.721
 7687TIP3   OH229369  -2.559   3.521  -1.313
 7687TIP3    H129370  -2.536   3.585  -1.243
 7687TIP3    H229371  -2.499   3.550  -1.384
 7688TIP3   OH229372  -3.095   3.804  -1.326
 7688TIP3    H129373  -3.083   3.707  -1.322
 7688TIP3    H229374  -3.105   3.818  -1.421
 7689TIP3   OH229375  -3.798   3.605  -1.620
 7689TIP3    H129376  -3.785   3.691  -1.665
 7689TIP3    H229377  -3.834   3.553  -1.694
 7690TIP3   OH229378  -3.014   3.622  -1.788
 7690TIP3    H129379  -2.955   3.580  -1.721
 7690TIP3    H229380  -2.948   3.668  -1.843
 7691TIP3   OH229381  -4.143   3.878  -1.570
 7691TIP3    H129382  -4.083   3.843  -1.501
 7691TIP3    H229383  -4.117   3.822  -1.645
 7692TIP3   OH229384  -3.589   4.018  -1.622
 7692TIP3    H129385  -3.522   3.959  -1.581
 7692TIP3    H229386  -3.645   3.953  -1.668
 7693TIP3   OH229387  -2.487   3.659  -1.065
 7693TIP3    H129388  -2.543   3.732  -1.096
 7693TIP3    H229389  -2.509   3.658  -0.971
 7694TIP3   OH229390  -3.919   3.487  -1.202
 7694TIP3    H129391  -3.962   3.534  -1.275
 7694TIP3    H229392  -3.981   3.503  -1.129
 7695TIP3   OH229393  -3.647   4.266  -1.224
 7695TIP3    H129394  -3.727   4.319  -1.218
 7695TIP3    H229395  -3.581   4.337  -1.233
 7696TIP3   OH229396  -2.830   3.545  -1.583
 7696TIP3    H129397  -2.873   3.490  -1.516
 7696TIP3    H229398  -2.779   3.607  -1.528
 7697TIP3   OH229399  -3.957   3.691  -1.410
 7697TIP3    H129400  -3.894   3.749  -1.364
 7697TIP3    H229401  -3.899   3.654  -1.480
 7698TIP3   OH229402  -2.818   3.459  -1.200
 7698TIP3    H129403  -2.895   3.501  -1.243
 7698TIP3    H229404  -2.745   3.481  -1.261
 7699TIP3   OH229405  -3.505   3.233  -1.494
 7699TIP3    H129406  -3.529   3.138  -1.500
 7699TIP3    H229407  -3.588   3.272  -1.457
 7700TIP3   OH229408  -3.308   4.143  -2.020
 7700TIP3    H129409  -3.372   4.179  -2.084
 7700TIP3    H229410  -3.230   4.134  -2.078
 7701TIP3   OH229411  -3.267   3.942  -2.302
 7701TIP3    H129412  -3.194   3.979  -2.249
 7701TIP3    H229413  -3.217   3.892  -2.369
 7702TIP3   OH229414  -2.556   4.054  -1.196
 7702TIP3    H129415  -2.620   4.127  -1.182
 7702TIP3    H229416  -2.504   4.094  -1.269
 7703TIP3   OH229417  -2.936   4.140  -1.919
 7703TIP3    H129418  -3.001   4.162  -1.850
 7703TIP3    H229419  -2.869   4.090  -1.869
 7704TIP3   OH229420  -2.963   3.980  -1.026
 7704TIP3    H129421  -2.959   4.057  -0.967
 7704TIP3    H229422  -3.018   4.018  -1.098
 7705TIP3   OH229423  -3.771   4.217  -1.730
 7705TIP3    H129424  -3.800   4.181  -1.816
 7705TIP3    H229425  -3.702   4.154  -1.704
 7706TIP3   OH229426  -3.731   4.075  -1.390
 7706TIP3    H129427  -3.668   4.077  -1.466
 7706TIP3    H229428  -3.696   4.145  -1.331
 7707TIP3   OH229429  -3.056   4.074  -2.155
 7707TIP3    H129430  -2.998   4.101  -2.080
 7707TIP3    H229431  -3.009   4.119  -2.230
 7708TIP3   OH229432  -3.957   4.144  -0.989
 7708TIP3    H129433  -3.949   4.202  -0.910
 7708TIP3    H229434  -4.048   4.167  -1.015
 7709TIP3   OH229435  -2.705   3.246  -2.213
 7709TIP3    H129436  -2.792   3.257  -2.170
 7709TIP3    H229437  -2.669   3.336  -2.209
 7710TIP3   OH229438  -3.896   4.087  -1.975
 7710TIP3    H129439  -3.912   4.164  -2.033
 7710TIP3    H229440  -3.963   4.024  -2.007
 7711TIP3   OH229441  -4.201   4.278  -1.110
 7711TIP3    H129442  -4.258   4.314  -1.180
 7711TIP3    H229443  -4.264   4.242  -1.045
 7712TIP3   OH229444  -2.764   3.837  -0.792
 7712TIP3    H129445  -2.815   3.876  -0.865
 7712TIP3    H229446  -2.759   3.744  -0.821
 7713TIP3   OH229447  -3.748   3.348  -1.404
 7713TIP3    H129448  -3.831   3.339  -1.454
 7713TIP3    H229449  -3.771   3.421  -1.345
 7714TIP3   OH229450  -3.311   3.306  -1.039
 7714TIP3    H129451  -3.259   3.254  -0.975
 7714TIP3    H229452  -3.402   3.273  -1.026
 7715TIP3   OH229453  -2.993   3.685  -0.986
 7715TIP3    H129454  -3.055   3.671  -0.912
 7715TIP3    H229455  -3.002   3.780  -1.004
 7716TIP3   OH229456  -2.917   4.176  -2.361
 7716TIP3    H129457  -2.921   4.158  -2.457
 7716TIP3    H229458  -2.828   4.216  -2.354
 7717TIP3   OH229459  -3.330   3.557  -2.312
 7717TIP3    H129460  -3.380   3.544  -2.230
 7717TIP3    H229461  -3.371   3.490  -2.369
 7718TIP3   OH229462  -3.761   3.827  -1.261
 7718TIP3    H129463  -3.823   3.839  -1.187
 7718TIP3    H229464  -3.756   3.917  -1.299
 7719TIP3   OH229465  -3.769   3.833  -1.775
 7719TIP3    H129466  -3.865   3.830  -1.793
 7719TIP3    H229467  -3.734   3.817  -1.865
 7720TIP3   OH229468  -3.207   3.898  -1.895
 7720TIP3    H129469  -3.252   3.975  -1.934
 7720TIP3    H229470  -3.139   3.879  -1.962
 7721TIP3   OH229471  -3.287   3.921  -0.753
 7721TIP3    H129472  -3.337   3.843  -0.721
 7721TIP3    H229473  -3.198   3.905  -0.716
 7722TIP3   OH229474  -3.124   3.830  -1.620
 7722TIP3    H129475  -3.150   3.885  -1.695
 7722TIP3    H229476  -3.099   3.749  -1.668
 7723TIP3   OH229477  -4.023   3.842  -1.080
 7723TIP3    H129478  -4.000   3.884  -0.996
 7723TIP3    H229479  -4.052   3.754  -1.051
 7724TIP3   OH229480  -3.687   3.603  -2.419
 7724TIP3    H129481  -3.724   3.565  -2.338
 7724TIP3    H229482  -3.764   3.617  -2.474
 7725TIP3   OH229483  -4.320   3.604  -1.714
 7725TIP3    H129484  -4.304   3.580  -1.620
 7725TIP3    H229485  -4.278   3.532  -1.760
 7726TIP3   OH229486  -4.208   3.645  -2.131
 7726TIP3    H129487  -4.148   3.674  -2.202
 7726TIP3    H229488  -4.291   3.687  -2.157
 7727TIP3   OH229489  -3.225   3.997  -1.177
 7727TIP3    H129490  -3.170   3.930  -1.224
 7727TIP3    H229491  -3.251   3.947  -1.098
 7728TIP3   OH229492  -3.491   3.592  -1.671
 7728TIP3    H129493  -3.585   3.591  -1.648
 7728TIP3    H229494  -3.449   3.577  -1.585
 7729TIP3   OH229495  -4.041   3.720  -1.809
 7729TIP3    H129496  -4.115   3.735  -1.871
 7729TIP3    H229497  -4.003   3.637  -1.843
 7730TIP3   OH229498  -3.671   3.749  -2.037
 7730TIP3    H129499  -3.574   3.758  -2.030
 7730TIP3    H229500  -3.695   3.811  -2.108
 7731TIP3   OH229501  -3.052   3.506  -1.370
 7731TIP3    H129502  -3.115   3.508  -1.295
 7731TIP3    H229503  -3.111   3.474  -1.440
 7732TIP3   OH229504  -3.826   3.878  -2.259
 7732TIP3    H129505  -3.882   3.844  -2.330
 7732TIP3    H229506  -3.744   3.897  -2.307
 7733TIP3   OH229507  -3.956   4.308  -0.775
 7733TIP3    H129508  -3.891   4.357  -0.721
 7733TIP3    H229509  -4.036   4.321  -0.721
 7734TIP3   OH229510  -3.391   3.848  -1.490
 7734TIP3    H129511  -3.314   3.808  -1.533
 7734TIP3    H229512  -3.404   3.789  -1.413
 7735TIP3   OH229513  -3.873   3.485  -1.864
 7735TIP3    H129514  -3.917   3.399  -1.859
 7735TIP3    H229515  -3.792   3.464  -1.912
 7736TIP3   OH229516  -3.492   3.694  -1.265
 7736TIP3    H129517  -3.569   3.753  -1.264
 7736TIP3    H229518  -3.442   3.721  -1.185
 7737TIP3   OH229519  -3.526   4.365  -2.046
 7737TIP3    H129520  -3.558   4.301  -2.112
 7737TIP3    H229521  -3.465   4.317  -1.990
 7738TIP3   OH229522  -2.731   4.265  -1.207
 7738TIP3    H129523  -2.704   4.311  -1.289
 7738TIP3    H229524  -2.826   4.256  -1.227
 7739TIP3   OH229525  -3.062   3.615  -2.297
 7739TIP3    H129526  -3.160   3.615  -2.302
 7739TIP3    H229527  -3.043   3.689  -2.236
 7740TIP3   OH229528  -2.994   3.798  -2.090
 7740TIP3    H129529  -2.906   3.781  -2.052
 7740TIP3    H229530  -2.982   3.885  -2.132
 7741TIP3   OH229531  -3.973   4.217  -1.543
 7741TIP3    H129532  -3.885   4.232  -1.584
 7741TIP3    H229533  -3.949   4.167  -1.464
 7742TIP3   OH229534  -4.283   4.108  -0.919
 7742TIP3    H129535  -4.237   4.047  -0.858
 7742TIP3    H229536  -4.299   4.053  -0.999
 7743TIP3   OH229537  -3.542   4.050  -0.765
 7743TIP3    H129538  -3.577   4.027  -0.853
 7743TIP3    H229539  -3.447   4.028  -0.777
 7744TIP3   OH229540  -2.537   3.798  -2.118
 7744TIP3    H129541  -2.591   3.779  -2.197
 7744TIP3    H229542  -2.523   3.894  -2.132
 7745TIP3   OH229543  -2.989   4.181  -1.340
 7745TIP3    H129544  -3.080   4.182  -1.373
 7745TIP3    H229545  -2.941   4.135  -1.410
 7746TIP3   OH229546  -4.159   4.100  -2.297
 7746TIP3    H129547  -4.083   4.146  -2.257
 7746TIP3    H229548  -4.229   4.164  -2.277
 7747TIP3   OH229549  -4.100   3.572  -1.001
 7747TIP3    H129550  -4.185   3.608  -1.032
 7747TIP3    H229551  -4.123   3.487  -0.961
 7748TIP3   OH229552  -3.960  -4.393  -2.135
 7748TIP3    H129553  -4.051  -4.358  -2.127
 7748TIP3    H229554  -3.911  -4.312  -2.154
 7749TIP3   OH229555  -3.209   3.548  -1.151
 7749TIP3    H129556  -3.149   3.576  -1.080
 7749TIP3    H229557  -3.259   3.475  -1.109
 7750TIP3   OH229558  -3.146   3.493  -2.024
 7750TIP3    H129559  -3.128   3.545  -2.103
 7750TIP3    H229560  -3.100   3.544  -1.955
 7751TIP3   OH229561  -3.404   3.692  -1.929
 7751TIP3    H129562  -3.328   3.752  -1.915
 7751TIP3    H229563  -3.434   3.675  -1.837
 7752TIP3   OH229564  -3.365   3.790  -1.012
 7752TIP3    H129565  -3.361   3.841  -0.929
 7752TIP3    H229566  -3.316   3.711  -0.988
 7753TIP3   OH229567  -3.346   3.393  -1.835
 7753TIP3    H129568  -3.366   3.463  -1.770
 7753TIP3    H229569  -3.273   3.435  -1.885
 7754TIP3   OH229570  -3.774   3.494  -2.177
 7754TIP3    H129571  -3.765   3.575  -2.123
 7754TIP3    H229572  -3.692   3.447  -2.153
 7755TIP3   OH229573  -2.741   3.583  -0.924
 7755TIP3    H129574  -2.836   3.597  -0.940
 7755TIP3    H229575  -2.714   3.564  -1.015
 7756TIP3   OH229576  -2.887   3.967  -1.530
 7756TIP3    H129577  -2.972   3.922  -1.548
 7756TIP3    H229578  -2.840   3.899  -1.476
 7757TIP3   OH229579  -4.113   3.799  -2.362
 7757TIP3    H129580  -4.108   3.892  -2.337
 7757TIP3    H229581  -4.198   3.789  -2.404
 7758TIP3   OH229582  -4.024   3.294  -1.489
 7758TIP3    H129583  -4.059   3.294  -1.580
 7758TIP3    H229584  -4.069   3.216  -1.450
 7759TIP3   OH229585  -4.199   4.349  -0.666
 7759TIP3    H129586  -4.194   4.253  -0.660
 7759TIP3    H229587  -4.294   4.361  -0.647
 7760TIP3   OH229588  -3.586   4.329  -0.727
 7760TIP3    H129589  -3.585   4.345  -0.823
 7760TIP3    H229590  -3.551   4.237  -0.723
 7761TIP3   OH229591  -2.985  -4.376  -0.952
 7761TIP3    H129592  -2.905  -4.333  -0.986
 7761TIP3    H229593  -3.052  -4.310  -0.971
 7762TIP3   OH229594  -4.130   4.021  -0.700
 7762TIP3    H129595  -4.050   3.966  -0.708
 7762TIP3    H229596  -4.132   4.037  -0.604
 7763TIP3   OH229597  -3.662   4.161  -2.200
 7763TIP3    H129598  -3.727   4.120  -2.142
 7763TIP3    H229599  -3.646   4.092  -2.267
 7764TIP3   OH229600  -3.746   3.934  -0.966
 7764TIP3    H129601  -3.806   4.009  -0.950
 7764TIP3    H229602  -3.685   3.970  -1.032
 7765TIP3   OH229603  -3.578   3.957  -2.373
 7765TIP3    H129604  -3.580   3.972  -2.470
 7765TIP3    H229605  -3.482   3.955  -2.356
 7766TIP3   OH229606  -3.218   4.216  -0.612
 7766TIP3    H129607  -3.131   4.196  -0.649
 7766TIP3    H229608  -3.252   4.129  -0.589
 7767TIP3   OH229609  -2.650   4.189  -2.450
 7767TIP3    H129610  -2.657   4.183  -2.547
 7767TIP3    H229611  -2.644   4.285  -2.434
 7768TIP3   OH229612  -3.690   3.663  -0.856
 7768TIP3    H129613  -3.684   3.598  -0.928
 7768TIP3    H229614  -3.711   3.744  -0.905
 7769TIP3   OH229615  -3.656   3.510  -1.112
 7769TIP3    H129616  -3.605   3.563  -1.175
 7769TIP3    H229617  -3.748   3.514  -1.147
 7770TIP3   OH229618  -3.506   4.067  -1.080
 7770TIP3    H129619  -3.422   4.056  -1.128
 7770TIP3    H229620  -3.541   4.148  -1.121
 7771TIP3   OH229621  -3.043   3.849  -0.593
 7771TIP3    H129622  -3.022   3.755  -0.581
 7771TIP3    H229623  -2.954   3.888  -0.599
 7772TIP3   OH229624  -2.947   4.136  -0.758
 7772TIP3    H129625  -2.971   4.208  -0.821
 7772TIP3    H229626  -2.856   4.119  -0.786
 7773TIP3   OH229627  -3.878   3.853  -0.677
 7773TIP3    H129628  -3.931   3.771  -0.678
 7773TIP3    H229629  -3.797   3.826  -0.722
 7774TIP3   OH229630  -3.585   3.243  -1.076
 7774TIP3    H129631  -3.602   3.338  -1.093
 7774TIP3    H229632  -3.656   3.201  -1.129
 7775TIP3   OH229633  -3.457   3.700  -0.698
 7775TIP3    H129634  -3.493   3.681  -0.609
 7775TIP3    H229635  -3.537   3.681  -0.752
 7776TIP3   OH229636  -3.205   3.606  -0.811
 7776TIP3    H129637  -3.293   3.612  -0.769
 7776TIP3    H229638  -3.160   3.543  -0.752
 7777TIP3   OH229639  -3.019   3.453  -0.637
 7777TIP3    H129640  -3.036   3.358  -0.621
 7777TIP3    H229641  -3.038   3.495  -0.551
 7778TIP3   OH229642  -4.013   3.597  -0.694
 7778TIP3    H129643  -4.017   3.525  -0.759
 7778TIP3    H229644  -4.033   3.552  -0.611
 7779TIP3   OH229645  -3.601   3.192  -0.795
 7779TIP3    H129646  -3.542   3.115  -0.790
 7779TIP3    H229647  -3.604   3.207  -0.891
 7780TIP3   OH229648  -3.506   3.378  -0.608
 7780TIP3    H129649  -3.537   3.319  -0.681
 7780TIP3    H229650  -3.574   3.447  -0.607
 7781TIP3   OH229651  -2.570   4.358  -2.014
 7781TIP3    H129652  -2.474   4.365  -2.025
 7781TIP3    H229653  -2.582   4.277  -1.962
 7782TIP3   OH229654  -2.532   4.133  -1.847
 7782TIP3    H129655  -2.608   4.089  -1.806
 7782TIP3    H229656  -2.473   4.151  -1.772
 7783TIP3   OH229657  -2.514   4.093  -2.194
 7783TIP3    H129658  -2.576   4.117  -2.265
 7783TIP3    H229659  -2.526   4.168  -2.134
 7784TIP3   OH229660  -2.687   3.843  -2.361
 7784TIP3    H129661  -2.666   3.907  -2.431
 7784TIP3    H229662  -2.710   3.762  -2.411
 7785TIP3   OH229663  -2.758   3.966  -1.773
 7785TIP3    H129664  -2.759   3.869  -1.786
 7785TIP3    H229665  -2.793   3.974  -1.681
 7786TIP3   OH229666  -4.247   4.214  -1.388
 7786TIP3    H129667  -4.231   4.179  -1.476
 7786TIP3    H229668  -4.178   4.170  -1.334
 7787TIP3   OH229669  -2.672   4.161  -0.849
 7787TIP3    H129670  -2.599   4.101  -0.823
 7787TIP3    H229671  -2.629   4.243  -0.876
 7788TIP3   OH229672  -2.529   3.965  -0.734
 7788TIP3    H129673  -2.610   3.912  -0.752
 7788TIP3    H229674  -2.461   3.895  -0.730
 7789TIP3   OH229675  -2.740   3.579  -2.442
 7789TIP3    H129676  -2.681   3.530  -2.382
 7789TIP3    H229677  -2.820   3.524  -2.447
 7790TIP3   OH229678  -2.759   3.706  -1.946
 7790TIP3    H129679  -2.733   3.611  -1.941
 7790TIP3    H229680  -2.678   3.743  -1.987
 7791TIP3   OH229681  -2.737   3.766  -1.403
 7791TIP3    H129682  -2.640   3.780  -1.406
 7791TIP3    H229683  -2.752   3.772  -1.308
 7792TIP3   OH229684  -2.720   3.837  -1.121
 7792TIP3    H129685  -2.806   3.876  -1.096
 7792TIP3    H229686  -2.668   3.917  -1.145
 7793TIP3   OH229687  -4.289   3.703  -0.770
 7793TIP3    H129688  -4.200   3.665  -0.759
 7793TIP3    H229689  -4.349   3.634  -0.740
 7794TIP3   OH229690  -2.463   3.253  -0.592
 7794TIP3    H129691  -2.423   3.184  -0.648
 7794TIP3    H229692  -2.462   3.330  -0.651
 7795TIP3   OH229693  -2.713   3.427  -1.949
 7795TIP3    H129694  -2.701   3.396  -1.858
 7795TIP3    H229695  -2.792   3.378  -1.977
 7796TIP3   OH229696  -4.194   3.556  -1.451
 7796TIP3    H129697  -4.159   3.466  -1.445
 7796TIP3    H229698  -4.117   3.611  -1.425
 7797TIP3   OH229699  -4.327   3.815  -1.357
 7797TIP3    H129700  -4.292   3.766  -1.433
 7797TIP3    H229701  -4.308   3.906  -1.381
 7798TIP3   OH229702  -2.526   3.457  -0.767
 7798TIP3    H129703  -2.614   3.500  -0.762
 7798TIP3    H229704  -2.539   3.403  -0.847
 7799TIP3   OH229705  -2.517   3.476  -2.284
 7799TIP3    H129706  -2.483   3.395  -2.327
 7799TIP3    H229707  -2.436   3.528  -2.272
 7800TIP3   OH229708  -4.315   3.428  -2.009
 7800TIP3    H129709  -4.400   3.459  -2.044
 7800TIP3    H229710  -4.256   3.500  -2.042
 7801TIP3   OH229711  -4.292   3.321  -1.175
 7801TIP3    H129712  -4.358   3.316  -1.102
 7801TIP3    H229713  -4.334   3.379  -1.241
 7802TIP3   OH229714  -2.639   3.281  -0.969
 7802TIP3    H129715  -2.719   3.303  -1.020
 7802TIP3    H229716  -2.618   3.191  -1.003
 7803TIP3   OH229717  -3.296   3.429  -1.522
 7803TIP3    H129718  -3.366   3.363  -1.508
 7803TIP3    H229719  -3.237   3.384  -1.584
 7804TIP3   OH229720  -2.802   3.229  -1.477
 7804TIP3    H129721  -2.727   3.276  -1.516
 7804TIP3    H229722  -2.876   3.262  -1.530
 7805TIP3   OH229723  -2.594   3.341  -1.692
 7805TIP3    H129724  -2.521   3.303  -1.744
 7805TIP3    H229725  -2.562   3.433  -1.680
 7806TIP3   OH229726  -4.107   3.288  -1.770
 7806TIP3    H129727  -4.180   3.259  -1.826
 7806TIP3    H229728  -4.045   3.213  -1.780
 7807TIP3   OH229729  -4.182   3.249  -2.189
 7807TIP3    H129730  -4.131   3.316  -2.238
 7807TIP3    H229731  -4.233   3.305  -2.128
 7808TIP3   OH229732  -3.615   3.283  -1.779
 7808TIP3    H129733  -3.524   3.314  -1.794
 7808TIP3    H229734  -3.617   3.276  -1.683
 7809TIP3   OH229735  -3.054   3.287  -1.638
 7809TIP3    H129736  -3.030   3.273  -1.731
 7809TIP3    H229737  -3.094   3.202  -1.615
 7810TIP3   OH229738  -2.945   3.288  -2.039
 7810TIP3    H129739  -3.026   3.339  -2.053
 7810TIP3    H229740  -2.980   3.198  -2.029
 7811TIP3   OH229741  -4.006   3.437  -2.335
 7811TIP3    H129742  -3.948   3.379  -2.387
 7811TIP3    H229743  -3.944   3.467  -2.265
 7812TIP3   OH229744  -3.500   3.451  -2.074
 7812TIP3    H129745  -3.464   3.394  -2.004
 7812TIP3    H229746  -3.478   3.538  -2.037
 7813TIP3   OH229747  -4.079   3.327  -0.818
 7813TIP3    H129748  -4.125   3.252  -0.777
 7813TIP3    H229749  -3.988   3.312  -0.787
 7814TIP3   OH229750  -3.844   3.264  -0.641
 7814TIP3    H129751  -3.762   3.228  -0.681
 7814TIP3    H229752  -3.879   3.185  -0.596
 7815TIP3   OH229753  -3.031   3.173  -0.625
 7815TIP3    H129754  -3.027   3.133  -0.536
 7815TIP3    H229755  -2.937   3.171  -0.650
 7816TIP3   OH229756  -1.272   4.203  -1.762
 7816TIP3    H129757  -1.304   4.294  -1.759
 7816TIP3    H229758  -1.346   4.159  -1.806
 7817TIP3   OH229759  -1.391   4.132  -1.432
 7817TIP3    H129760  -1.389   4.080  -1.351
 7817TIP3    H229761  -1.418   4.067  -1.498
 7818TIP3   OH229762  -2.149   4.082  -1.271
 7818TIP3    H129763  -2.150   4.007  -1.209
 7818TIP3    H229764  -2.074   4.133  -1.237
 7819TIP3   OH229765  -2.379   3.885  -1.878
 7819TIP3    H129766  -2.421   3.972  -1.872
 7819TIP3    H229767  -2.448   3.833  -1.921
 7820TIP3   OH229768  -2.284   4.135  -1.693
 7820TIP3    H129769  -2.285   4.055  -1.637
 7820TIP3    H229770  -2.204   4.120  -1.744
 7821TIP3   OH229771  -0.669   3.519  -1.311
 7821TIP3    H129772  -0.652   3.586  -1.243
 7821TIP3    H229773  -0.615   3.553  -1.384
 7822TIP3   OH229774  -1.208   3.804  -1.326
 7822TIP3    H129775  -1.197   3.708  -1.324
 7822TIP3    H229776  -1.222   3.820  -1.421
 7823TIP3   OH229777  -1.916   3.605  -1.618
 7823TIP3    H129778  -1.898   3.689  -1.664
 7823TIP3    H229779  -1.945   3.551  -1.694
 7824TIP3   OH229780  -1.125   3.628  -1.781
 7824TIP3    H129781  -1.066   3.581  -1.719
 7824TIP3    H229782  -1.062   3.666  -1.843
 7825TIP3   OH229783  -2.247   3.876  -1.568
 7825TIP3    H129784  -2.182   3.831  -1.512
 7825TIP3    H229785  -2.235   3.829  -1.653
 7826TIP3   OH229786  -1.705   4.018  -1.619
 7826TIP3    H129787  -1.636   3.960  -1.581
 7826TIP3    H229788  -1.757   3.955  -1.671
 7827TIP3   OH229789  -0.600   3.659  -1.064
 7827TIP3    H129790  -0.658   3.732  -1.095
 7827TIP3    H229791  -0.624   3.657  -0.970
 7828TIP3   OH229792  -2.036   3.483  -1.201
 7828TIP3    H129793  -2.074   3.533  -1.275
 7828TIP3    H229794  -2.101   3.502  -1.131
 7829TIP3   OH229795  -1.761   4.266  -1.225
 7829TIP3    H129796  -1.842   4.320  -1.220
 7829TIP3    H229797  -1.695   4.337  -1.233
 7830TIP3   OH229798  -0.938   3.543  -1.583
 7830TIP3    H129799  -0.988   3.488  -1.520
 7830TIP3    H229800  -0.895   3.608  -1.524
 7831TIP3   OH229801  -2.073   3.688  -1.408
 7831TIP3    H129802  -2.009   3.746  -1.362
 7831TIP3    H229803  -2.017   3.653  -1.481
 7832TIP3   OH229804  -0.931   3.461  -1.198
 7832TIP3    H129805  -1.009   3.500  -1.243
 7832TIP3    H229806  -0.860   3.480  -1.263
 7833TIP3   OH229807  -1.620   3.231  -1.491
 7833TIP3    H129808  -1.646   3.137  -1.498
 7833TIP3    H229809  -1.704   3.271  -1.458
 7834TIP3   OH229810  -1.421   4.144  -2.018
 7834TIP3    H129811  -1.487   4.176  -2.082
 7834TIP3    H229812  -1.344   4.132  -2.076
 7835TIP3   OH229813  -1.383   3.947  -2.305
 7835TIP3    H129814  -1.309   3.979  -2.250
 7835TIP3    H229815  -1.336   3.890  -2.367
 7836TIP3   OH229816  -0.669   4.055  -1.196
 7836TIP3    H129817  -0.735   4.126  -1.184
 7836TIP3    H229818  -0.618   4.095  -1.270
 7837TIP3   OH229819  -1.049   4.142  -1.919
 7837TIP3    H129820  -1.117   4.162  -1.851
 7837TIP3    H229821  -0.985   4.089  -1.867
 7838TIP3   OH229822  -1.077   3.980  -1.026
 7838TIP3    H129823  -1.075   4.058  -0.968
 7838TIP3    H229824  -1.133   4.016  -1.098
 7839TIP3   OH229825  -1.900   4.206  -1.725
 7839TIP3    H129826  -1.920   4.179  -1.816
 7839TIP3    H229827  -1.820   4.154  -1.706
 7840TIP3   OH229828  -1.847   4.069  -1.384
 7840TIP3    H129829  -1.788   4.072  -1.463
 7840TIP3    H229830  -1.812   4.142  -1.330
 7841TIP3   OH229831  -1.169   4.074  -2.155
 7841TIP3    H129832  -1.112   4.101  -2.080
 7841TIP3    H229833  -1.123   4.120  -2.230
 7842TIP3   OH229834  -2.058   4.146  -0.998
 7842TIP3    H129835  -2.047   4.211  -0.924
 7842TIP3    H229836  -2.155   4.139  -1.000
 7843TIP3   OH229837  -0.817   3.244  -2.209
 7843TIP3    H129838  -0.908   3.253  -2.175
 7843TIP3    H229839  -0.785   3.336  -2.205
 7844TIP3   OH229840  -2.016   4.092  -1.970
 7844TIP3    H129841  -2.027   4.167  -2.032
 7844TIP3    H229842  -2.069   4.023  -2.011
 7845TIP3   OH229843  -2.418   4.308  -1.096
 7845TIP3    H129844  -2.412   4.293  -1.192
 7845TIP3    H229845  -2.380   4.225  -1.060
 7846TIP3   OH229846  -0.879   3.838  -0.793
 7846TIP3    H129847  -0.930   3.876  -0.866
 7846TIP3    H229848  -0.874   3.744  -0.820
 7847TIP3   OH229849  -1.862   3.345  -1.398
 7847TIP3    H129850  -1.939   3.342  -1.458
 7847TIP3    H229851  -1.883   3.424  -1.347
 7848TIP3   OH229852  -1.425   3.306  -1.038
 7848TIP3    H129853  -1.372   3.254  -0.975
 7848TIP3    H229854  -1.515   3.272  -1.026
 7849TIP3   OH229855  -1.106   3.685  -0.985
 7849TIP3    H129856  -1.170   3.671  -0.912
 7849TIP3    H229857  -1.117   3.780  -1.004
 7850TIP3   OH229858  -1.029   4.176  -2.361
 7850TIP3    H129859  -1.037   4.159  -2.457
 7850TIP3    H229860  -0.940   4.215  -2.355
 7851TIP3   OH229861  -1.450   3.564  -2.309
 7851TIP3    H129862  -1.497   3.556  -2.225
 7851TIP3    H229863  -1.491   3.491  -2.359
 7852TIP3   OH229864  -1.875   3.824  -1.259
 7852TIP3    H129865  -1.937   3.839  -1.186
 7852TIP3    H229866  -1.867   3.914  -1.298
 7853TIP3   OH229867  -1.882   3.836  -1.773
 7853TIP3    H129868  -1.976   3.825  -1.793
 7853TIP3    H229869  -1.843   3.818  -1.862
 7854TIP3   OH229870  -1.327   3.895  -1.894
 7854TIP3    H129871  -1.376   3.968  -1.936
 7854TIP3    H229872  -1.262   3.872  -1.962
 7855TIP3   OH229873  -1.401   3.921  -0.752
 7855TIP3    H129874  -1.452   3.843  -0.721
 7855TIP3    H229875  -1.312   3.904  -0.716
 7856TIP3   OH229876  -1.236   3.834  -1.622
 7856TIP3    H129877  -1.268   3.885  -1.698
 7856TIP3    H229878  -1.213   3.751  -1.669
 7857TIP3   OH229879  -2.138   3.841  -1.083
 7857TIP3    H129880  -2.115   3.879  -0.998
 7857TIP3    H229881  -2.173   3.754  -1.057
 7858TIP3   OH229882  -1.804   3.614  -2.422
 7858TIP3    H129883  -1.834   3.573  -2.338
 7858TIP3    H229884  -1.883   3.609  -2.477
 7859TIP3   OH229885  -2.459   3.586  -1.714
 7859TIP3    H129886  -2.397   3.590  -1.638
 7859TIP3    H229887  -2.404   3.553  -1.786
 7860TIP3   OH229888  -2.301   3.633  -2.142
 7860TIP3    H129889  -2.243   3.679  -2.207
 7860TIP3    H229890  -2.369   3.701  -2.127
 7861TIP3   OH229891  -1.338   3.997  -1.175
 7861TIP3    H129892  -1.285   3.931  -1.225
 7861TIP3    H229893  -1.366   3.944  -1.098
 7862TIP3   OH229894  -1.602   3.593  -1.670
 7862TIP3    H129895  -1.697   3.585  -1.652
 7862TIP3    H229896  -1.564   3.573  -1.583
 7863TIP3   OH229897  -2.152   3.714  -1.801
 7863TIP3    H129898  -2.228   3.742  -1.854
 7863TIP3    H229899  -2.116   3.638  -1.851
 7864TIP3   OH229900  -1.785   3.766  -2.027
 7864TIP3    H129901  -1.690   3.742  -2.029
 7864TIP3    H229902  -1.799   3.814  -2.110
 7865TIP3   OH229903  -1.163   3.508  -1.368
 7865TIP3    H129904  -1.229   3.510  -1.296
 7865TIP3    H229905  -1.220   3.471  -1.439
 7866TIP3   OH229906  -1.945   3.881  -2.259
 7866TIP3    H129907  -1.996   3.840  -2.330
 7866TIP3    H229908  -1.860   3.896  -2.304
 7867TIP3   OH229909  -2.047   4.316  -0.792
 7867TIP3    H129910  -1.990   4.365  -0.729
 7867TIP3    H229911  -2.128   4.305  -0.737
 7868TIP3   OH229912  -1.503   3.851  -1.486
 7868TIP3    H129913  -1.436   3.806  -1.539
 7868TIP3    H229914  -1.517   3.788  -1.413
 7869TIP3   OH229915  -1.971   3.491  -1.876
 7869TIP3    H129916  -2.017   3.408  -1.861
 7869TIP3    H229917  -1.887   3.460  -1.915
 7870TIP3   OH229918  -1.608   3.692  -1.263
 7870TIP3    H129919  -1.684   3.753  -1.265
 7870TIP3    H229920  -1.557   3.721  -1.185
 7871TIP3   OH229921  -1.637   4.365  -2.050
 7871TIP3    H129922  -1.674   4.300  -2.112
 7871TIP3    H229923  -1.582   4.314  -1.989
 7872TIP3   OH229924  -0.844   4.266  -1.208
 7872TIP3    H129925  -0.821   4.312  -1.291
 7872TIP3    H229926  -0.939   4.256  -1.224
 7873TIP3   OH229927  -1.181   3.624  -2.306
 7873TIP3    H129928  -1.279   3.613  -2.302
 7873TIP3    H229929  -1.163   3.687  -2.234
 7874TIP3   OH229930  -1.111   3.798  -2.089
 7874TIP3    H129931  -1.023   3.781  -2.051
 7874TIP3    H229932  -1.099   3.884  -2.132
 7875TIP3   OH229933  -2.051   4.248  -1.505
 7875TIP3    H129934  -1.991   4.240  -1.582
 7875TIP3    H229935  -2.038   4.162  -1.462
 7876TIP3   OH229936  -2.344   4.079  -0.970
 7876TIP3    H129937  -2.336   4.042  -0.880
 7876TIP3    H229938  -2.420   4.031  -1.007
 7877TIP3   OH229939  -1.656   4.048  -0.765
 7877TIP3    H129940  -1.690   4.028  -0.854
 7877TIP3    H229941  -1.562   4.028  -0.776
 7878TIP3   OH229942  -0.649   3.797  -2.119
 7878TIP3    H129943  -0.705   3.779  -2.197
 7878TIP3    H229944  -0.637   3.893  -2.132
 7879TIP3   OH229945  -1.103   4.181  -1.340
 7879TIP3    H129946  -1.195   4.182  -1.373
 7879TIP3    H229947  -1.056   4.134  -1.411
 7880TIP3   OH229948  -2.250   4.096  -2.315
 7880TIP3    H129949  -2.188   4.153  -2.267
 7880TIP3    H229950  -2.333   4.113  -2.268
 7881TIP3   OH229951  -2.222   3.566  -1.001
 7881TIP3    H129952  -2.312   3.590  -1.030
 7881TIP3    H229953  -2.237   3.477  -0.964
 7882TIP3   OH229954  -2.072  -4.387  -2.131
 7882TIP3    H129955  -2.162  -4.352  -2.114
 7882TIP3    H229956  -2.025  -4.305  -2.153
 7883TIP3   OH229957  -1.324   3.550  -1.149
 7883TIP3    H129958  -1.263   3.575  -1.078
 7883TIP3    H229959  -1.374   3.476  -1.110
 7884TIP3   OH229960  -1.237   3.485  -2.030
 7884TIP3    H129961  -1.250   3.551  -2.099
 7884TIP3    H229962  -1.229   3.540  -1.950
 7885TIP3   OH229963  -1.521   3.691  -1.949
 7885TIP3    H129964  -1.445   3.743  -1.921
 7885TIP3    H229965  -1.552   3.652  -1.866
 7886TIP3   OH229966  -1.481   3.791  -1.011
 7886TIP3    H129967  -1.475   3.841  -0.928
 7886TIP3    H229968  -1.431   3.711  -0.991
 7887TIP3   OH229969  -1.405   3.395  -1.789
 7887TIP3    H129970  -1.486   3.448  -1.780
 7887TIP3    H229971  -1.396   3.394  -1.886
 7888TIP3   OH229972  -1.886   3.502  -2.186
 7888TIP3    H129973  -1.879   3.573  -2.120
 7888TIP3    H229974  -1.813   3.443  -2.153
 7889TIP3   OH229975  -0.855   3.583  -0.925
 7889TIP3    H129976  -0.951   3.598  -0.939
 7889TIP3    H229977  -0.831   3.562  -1.016
 7890TIP3   OH229978  -1.001   3.967  -1.530
 7890TIP3    H129979  -1.087   3.925  -1.551
 7890TIP3    H229980  -0.957   3.898  -1.476
 7891TIP3   OH229981  -2.236   3.799  -2.361
 7891TIP3    H129982  -2.218   3.894  -2.344
 7891TIP3    H229983  -2.320   3.802  -2.407
 7892TIP3   OH229984  -2.143   3.305  -1.484
 7892TIP3    H129985  -2.157   3.304  -1.581
 7892TIP3    H229986  -2.176   3.218  -1.457
 7893TIP3   OH229987  -2.292   4.306  -0.679
 7893TIP3    H129988  -2.315   4.212  -0.678
 7893TIP3    H229989  -2.372   4.351  -0.707
 7894TIP3   OH229990  -1.702   4.328  -0.726
 7894TIP3    H129991  -1.701   4.346  -0.823
 7894TIP3    H229992  -1.666   4.238  -0.723
 7895TIP3   OH229993  -1.099  -4.376  -0.952
 7895TIP3    H129994  -1.020  -4.330  -0.986
 7895TIP3    H229995  -1.168  -4.312  -0.972
 7896TIP3   OH229996  -2.235   4.023  -0.707
 7896TIP3    H129997  -2.156   3.966  -0.714
 7896TIP3    H229998  -2.233   4.045  -0.612
 7897TIP3   OH229999  -1.777   4.161  -2.199
 7897TIP3    H130000  -1.840   4.117  -2.142
 7897TIP3    H230001  -1.760   4.094  -2.267
 7898TIP3   OH230002  -1.862   3.933  -0.966
 7898TIP3    H130003  -1.918   4.011  -0.951
 7898TIP3    H230004  -1.798   3.968  -1.032
 7899TIP3   OH230005  -1.693   3.959  -2.372
 7899TIP3    H130006  -1.695   3.970  -2.469
 7899TIP3    H230007  -1.597   3.955  -2.355
 7900TIP3   OH230008  -1.332   4.215  -0.610
 7900TIP3    H130009  -1.246   4.197  -0.649
 7900TIP3    H230010  -1.366   4.127  -0.591
 7901TIP3   OH230011  -0.760   4.189  -2.451
 7901TIP3    H130012  -0.774   4.184  -2.547
 7901TIP3    H230013  -0.761   4.286  -2.432
 7902TIP3   OH230014  -1.805   3.663  -0.856
 7902TIP3    H130015  -1.798   3.598  -0.929
 7902TIP3    H230016  -1.824   3.745  -0.905
 7903TIP3   OH230017  -1.771   3.510  -1.112
 7903TIP3    H130018  -1.718   3.563  -1.174
 7903TIP3    H230019  -1.861   3.515  -1.148
 7904TIP3   OH230020  -1.621   4.067  -1.079
 7904TIP3    H130021  -1.537   4.055  -1.127
 7904TIP3    H230022  -1.656   4.148  -1.120
 7905TIP3   OH230023  -1.157   3.849  -0.593
 7905TIP3    H130024  -1.136   3.755  -0.581
 7905TIP3    H230025  -1.069   3.888  -0.598
 7906TIP3   OH230026  -1.063   4.137  -0.757
 7906TIP3    H130027  -1.086   4.209  -0.821
 7906TIP3    H230028  -0.972   4.116  -0.787
 7907TIP3   OH230029  -1.989   3.850  -0.675
 7907TIP3    H130030  -2.039   3.766  -0.678
 7907TIP3    H230031  -1.907   3.826  -0.721
 7908TIP3   OH230032  -1.701   3.243  -1.074
 7908TIP3    H130033  -1.715   3.339  -1.092
 7908TIP3    H230034  -1.769   3.203  -1.131
 7909TIP3   OH230035  -1.571   3.700  -0.698
 7909TIP3    H130036  -1.607   3.680  -0.609
 7909TIP3    H230037  -1.651   3.682  -0.752
 7910TIP3   OH230038  -1.319   3.606  -0.810
 7910TIP3    H130039  -1.407   3.612  -0.769
 7910TIP3    H230040  -1.274   3.543  -0.752
 7911TIP3   OH230041  -1.133   3.453  -0.637
 7911TIP3    H130042  -1.152   3.358  -0.621
 7911TIP3    H230043  -1.153   3.494  -0.551
 7912TIP3   OH230044  -2.116   3.594  -0.692
 7912TIP3    H130045  -2.125   3.526  -0.760
 7912TIP3    H230046  -2.141   3.545  -0.611
 7913TIP3   OH230047  -1.717   3.191  -0.794
 7913TIP3    H130048  -1.654   3.117  -0.789
 7913TIP3    H230049  -1.719   3.208  -0.890
 7914TIP3   OH230050  -1.623   3.377  -0.606
 7914TIP3    H130051  -1.653   3.319  -0.679
 7914TIP3    H230052  -1.690   3.447  -0.606
 7915TIP3   OH230053  -0.682   4.361  -2.012
 7915TIP3    H130054  -0.586   4.360  -2.025
 7915TIP3    H230055  -0.699   4.279  -1.964
 7916TIP3   OH230056  -0.645   4.132  -1.848
 7916TIP3    H130057  -0.723   4.088  -1.808
 7916TIP3    H230058  -0.590   4.152  -1.770
 7917TIP3   OH230059  -0.626   4.094  -2.195
 7917TIP3    H130060  -0.690   4.116  -2.266
 7917TIP3    H230061  -0.642   4.167  -2.134
 7918TIP3   OH230062  -0.798   3.842  -2.361
 7918TIP3    H130063  -0.781   3.906  -2.432
 7918TIP3    H230064  -0.824   3.762  -2.411
 7919TIP3   OH230065  -0.870   3.965  -1.772
 7919TIP3    H130066  -0.875   3.870  -1.787
 7919TIP3    H230067  -0.908   3.973  -1.681
 7920TIP3   OH230068  -2.385   4.187  -1.374
 7920TIP3    H130069  -2.375   4.203  -1.469
 7920TIP3    H230070  -2.294   4.160  -1.349
 7921TIP3   OH230071  -0.784   4.159  -0.856
 7921TIP3    H130072  -0.712   4.101  -0.823
 7921TIP3    H230073  -0.742   4.245  -0.874
 7922TIP3   OH230074  -0.644   3.966  -0.732
 7922TIP3    H130075  -0.725   3.913  -0.752
 7922TIP3    H230076  -0.576   3.897  -0.730
 7923TIP3   OH230077  -0.854   3.577  -2.444
 7923TIP3    H130078  -0.800   3.528  -2.379
 7923TIP3    H230079  -0.937   3.527  -2.449
 7924TIP3   OH230080  -0.872   3.706  -1.946
 7924TIP3    H130081  -0.849   3.611  -1.942
 7924TIP3    H230082  -0.792   3.742  -1.988
 7925TIP3   OH230083  -0.850   3.764  -1.403
 7925TIP3    H130084  -0.754   3.780  -1.405
 7925TIP3    H230085  -0.868   3.772  -1.307
 7926TIP3   OH230086  -0.833   3.837  -1.121
 7926TIP3    H130087  -0.920   3.874  -1.096
 7926TIP3    H230088  -0.783   3.918  -1.144
 7927TIP3   OH230089  -2.387   3.716  -0.752
 7927TIP3    H130090  -2.293   3.690  -0.752
 7927TIP3    H230091  -2.430   3.629  -0.746
 7928TIP3   OH230092  -0.578   3.254  -0.593
 7928TIP3    H130093  -0.537   3.184  -0.647
 7928TIP3    H230094  -0.575   3.331  -0.652
 7929TIP3   OH230095  -0.824   3.426  -1.949
 7929TIP3    H130096  -0.823   3.396  -1.857
 7929TIP3    H230097  -0.904   3.379  -1.982
 7930TIP3   OH230098  -2.309   3.547  -1.472
 7930TIP3    H130099  -2.261   3.462  -1.467
 7930TIP3    H230100  -2.240   3.608  -1.440
 7931TIP3   OH230101  -2.454   3.815  -1.367
 7931TIP3    H130102  -2.394   3.812  -1.444
 7931TIP3    H230103  -2.422   3.894  -1.322
 7932TIP3   OH230104  -0.640   3.458  -0.769
 7932TIP3    H130105  -0.727   3.500  -0.762
 7932TIP3    H230106  -0.655   3.403  -0.848
 7933TIP3   OH230107  -0.630   3.474  -2.280
 7933TIP3    H130108  -0.600   3.396  -2.328
 7933TIP3    H230109  -0.549   3.529  -2.276
 7934TIP3   OH230110  -2.404   3.443  -1.967
 7934TIP3    H130111  -2.499   3.454  -1.985
 7934TIP3    H230112  -2.362   3.508  -2.028
 7935TIP3   OH230113  -2.400   3.336  -1.149
 7935TIP3    H130114  -2.472   3.312  -1.089
 7935TIP3    H230115  -2.448   3.390  -1.214
 7936TIP3   OH230116  -0.752   3.281  -0.970
 7936TIP3    H130117  -0.833   3.303  -1.020
 7936TIP3    H230118  -0.733   3.191  -1.003
 7937TIP3   OH230119  -1.408   3.424  -1.505
 7937TIP3    H130120  -1.482   3.361  -1.501
 7937TIP3    H230121  -1.374   3.407  -1.594
 7938TIP3   OH230122  -0.914   3.230  -1.477
 7938TIP3    H130123  -0.842   3.279  -1.521
 7938TIP3    H230124  -0.992   3.256  -1.530
 7939TIP3   OH230125  -0.703   3.341  -1.683
 7939TIP3    H130126  -0.636   3.304  -1.743
 7939TIP3    H230127  -0.679   3.435  -1.679
 7940TIP3   OH230128  -2.181   3.299  -1.760
 7940TIP3    H130129  -2.262   3.287  -1.812
 7940TIP3    H230130  -2.130   3.220  -1.784
 7941TIP3   OH230131  -2.294   3.251  -2.181
 7941TIP3    H130132  -2.240   3.316  -2.229
 7941TIP3    H230133  -2.334   3.306  -2.111
 7942TIP3   OH230134  -1.750   3.280  -1.753
 7942TIP3    H130135  -1.689   3.310  -1.824
 7942TIP3    H230136  -1.694   3.272  -1.676
 7943TIP3   OH230137  -1.146   3.279  -1.630
 7943TIP3    H130138  -1.159   3.293  -1.724
 7943TIP3    H230139  -1.211   3.209  -1.612
 7944TIP3   OH230140  -1.051   3.286  -2.041
 7944TIP3    H130141  -1.129   3.347  -2.047
 7944TIP3    H230142  -1.096   3.201  -2.030
 7945TIP3   OH230143  -2.118   3.431  -2.331
 7945TIP3    H130144  -2.057   3.379  -2.386
 7945TIP3    H230145  -2.056   3.467  -2.264
 7946TIP3   OH230146  -2.197   3.322  -0.817
 7946TIP3    H130147  -2.235   3.242  -0.779
 7946TIP3    H230148  -2.104   3.314  -0.789
 7947TIP3   OH230149  -1.959   3.264  -0.641
 7947TIP3    H130150  -1.876   3.231  -0.682
 7947TIP3    H230151  -1.991   3.183  -0.599
 7948TIP3   OH230152  -1.144   3.170  -0.627
 7948TIP3    H130153  -1.143   3.135  -0.537
 7948TIP3    H230154  -1.049   3.173  -0.650
 7949TIP3   OH230155   0.611   4.200  -1.765
 7949TIP3    H130156   0.584   4.291  -1.748
 7949TIP3    H230157   0.537   4.169  -1.819
 7950TIP3   OH230158   0.500   4.130  -1.434
 7950TIP3    H130159   0.497   4.083  -1.348
 7950TIP3    H230160   0.463   4.065  -1.495
 7951TIP3   OH230161  -0.260   4.081  -1.273
 7951TIP3    H130162  -0.264   4.008  -1.209
 7951TIP3    H230163  -0.191   4.135  -1.234
 7952TIP3   OH230164  -0.491   3.886  -1.880
 7952TIP3    H130165  -0.536   3.972  -1.871
 7952TIP3    H230166  -0.561   3.832  -1.916
 7953TIP3   OH230167  -0.397   4.137  -1.691
 7953TIP3    H130168  -0.399   4.056  -1.636
 7953TIP3    H230169  -0.318   4.119  -1.744
 7954TIP3   OH230170   1.212   3.523  -1.316
 7954TIP3    H130171   1.234   3.582  -1.242
 7954TIP3    H230172   1.276   3.554  -1.383
 7955TIP3   OH230173   0.680   3.805  -1.330
 7955TIP3    H130174   0.692   3.709  -1.322
 7955TIP3    H230175   0.662   3.814  -1.425
 7956TIP3   OH230176  -0.026   3.605  -1.620
 7956TIP3    H130177  -0.015   3.691  -1.665
 7956TIP3    H230178  -0.062   3.553  -1.694
 7957TIP3   OH230179  -0.361   3.879  -1.568
 7957TIP3    H130180  -0.298   3.832  -1.511
 7957TIP3    H230181  -0.352   3.829  -1.652
 7958TIP3   OH230182   0.185   4.017  -1.622
 7958TIP3    H130183   0.250   3.957  -1.581
 7958TIP3    H230184   0.127   3.955  -1.668
 7959TIP3   OH230185   1.284   3.659  -1.066
 7959TIP3    H130186   1.225   3.732  -1.094
 7959TIP3    H230187   1.264   3.657  -0.971
 7960TIP3   OH230188  -0.149   3.483  -1.204
 7960TIP3    H130189  -0.187   3.538  -1.274
 7960TIP3    H230190  -0.214   3.498  -1.132
 7961TIP3   OH230191   0.124   4.266  -1.228
 7961TIP3    H130192   0.043   4.319  -1.217
 7961TIP3    H230193   0.189   4.338  -1.229
 7962TIP3   OH230194   0.925   3.570  -1.615
 7962TIP3    H130195   0.888   3.497  -1.564
 7962TIP3    H230196   0.975   3.616  -1.546
 7963TIP3   OH230197  -0.187   3.687  -1.408
 7963TIP3    H130198  -0.125   3.746  -1.361
 7963TIP3    H230199  -0.129   3.654  -1.480
 7964TIP3   OH230200   0.953   3.462  -1.200
 7964TIP3    H130201   0.876   3.501  -1.245
 7964TIP3    H230202   1.025   3.480  -1.264
 7965TIP3   OH230203   0.248   3.214  -1.508
 7965TIP3    H130204   0.252   3.124  -1.473
 7965TIP3    H230205   0.174   3.255  -1.458
 7966TIP3   OH230206   0.480   4.134  -2.024
 7966TIP3    H130207   0.414   4.197  -2.059
 7966TIP3    H230208   0.542   4.131  -2.098
 7967TIP3   OH230209   0.506   3.942  -2.299
 7967TIP3    H130210   0.585   3.969  -2.248
 7967TIP3    H230211   0.548   3.899  -2.375
 7968TIP3   OH230212   1.216   4.054  -1.197
 7968TIP3    H130213   1.151   4.126  -1.182
 7968TIP3    H230214   1.268   4.095  -1.269
 7969TIP3   OH230215   0.828   4.137  -1.924
 7969TIP3    H130216   0.764   4.168  -1.856
 7969TIP3    H230217   0.895   4.094  -1.870
 7970TIP3   OH230218   0.808   3.980  -1.026
 7970TIP3    H130219   0.812   4.056  -0.965
 7970TIP3    H230220   0.754   4.021  -1.097
 7971TIP3   OH230221  -0.020   4.199  -1.723
 7971TIP3    H130222  -0.034   4.178  -1.817
 7971TIP3    H230223   0.066   4.157  -1.707
 7972TIP3   OH230224   0.044   4.066  -1.386
 7972TIP3    H130225   0.100   4.077  -1.465
 7972TIP3    H230226   0.072   4.141  -1.330
 7973TIP3   OH230227   0.738   4.013  -2.148
 7973TIP3    H130228   0.780   4.063  -2.074
 7973TIP3    H230229   0.778   4.063  -2.223
 7974TIP3   OH230230  -0.174   4.147  -0.999
 7974TIP3    H130231  -0.161   4.210  -0.925
 7974TIP3    H230232  -0.271   4.141  -1.001
 7975TIP3   OH230233   1.067   3.247  -2.210
 7975TIP3    H130234   0.980   3.259  -2.168
 7975TIP3    H230235   1.103   3.338  -2.214
 7976TIP3   OH230236  -0.124   4.088  -1.976
 7976TIP3    H130237  -0.141   4.167  -2.031
 7976TIP3    H230238  -0.188   4.024  -2.009
 7977TIP3   OH230239  -0.517   4.310  -1.097
 7977TIP3    H130240  -0.529   4.290  -1.191
 7977TIP3    H230241  -0.494   4.222  -1.060
 7978TIP3   OH230242   1.007   3.837  -0.792
 7978TIP3    H130243   0.957   3.876  -0.865
 7978TIP3    H230244   1.013   3.744  -0.820
 7979TIP3   OH230245   0.023   3.346  -1.400
 7979TIP3    H130246  -0.057   3.346  -1.455
 7979TIP3    H230247   0.006   3.424  -1.345
 7980TIP3   OH230248   0.461   3.303  -1.041
 7980TIP3    H130249   0.514   3.255  -0.975
 7980TIP3    H230250   0.371   3.272  -1.025
 7981TIP3   OH230251   0.775   3.685  -0.989
 7981TIP3    H130252   0.717   3.670  -0.913
 7981TIP3    H230253   0.769   3.782  -1.003
 7982TIP3   OH230254   0.850   4.162  -2.347
 7982TIP3    H130255   0.840   4.157  -2.444
 7982TIP3    H230256   0.934   4.211  -2.340
 7983TIP3   OH230257   0.467   3.549  -2.311
 7983TIP3    H130258   0.405   3.551  -2.237
 7983TIP3    H230259   0.417   3.493  -2.373
 7984TIP3   OH230260   0.010   3.823  -1.259
 7984TIP3    H130261  -0.050   3.838  -1.184
 7984TIP3    H230262   0.019   3.914  -1.297
 7985TIP3   OH230263   0.004   3.833  -1.775
 7985TIP3    H130264  -0.092   3.828  -1.790
 7985TIP3    H230265   0.037   3.817  -1.865
 7986TIP3   OH230266   0.605   3.877  -1.926
 7986TIP3    H130267   0.544   3.953  -1.926
 7986TIP3    H230268   0.651   3.898  -2.009
 7987TIP3   OH230269   0.484   3.920  -0.755
 7987TIP3    H130270   0.434   3.843  -0.721
 7987TIP3    H230271   0.573   3.905  -0.716
 7988TIP3   OH230272   0.656   3.808  -1.632
 7988TIP3    H130273   0.631   3.867  -1.705
 7988TIP3    H230274   0.662   3.723  -1.676
 7989TIP3   OH230275  -0.250   3.839  -1.084
 7989TIP3    H130276  -0.233   3.881  -0.998
 7989TIP3    H230277  -0.288   3.754  -1.057
 7990TIP3   OH230278   0.088   3.600  -2.420
 7990TIP3    H130279   0.047   3.565  -2.339
 7990TIP3    H230280   0.010   3.620  -2.474
 7991TIP3   OH230281  -0.571   3.596  -1.716
 7991TIP3    H130282  -0.511   3.588  -1.639
 7991TIP3    H230283  -0.523   3.552  -1.788
 7992TIP3   OH230284  -0.410   3.635  -2.143
 7992TIP3    H130285  -0.359   3.683  -2.210
 7992TIP3    H230286  -0.482   3.698  -2.126
 7993TIP3   OH230287   0.543   3.996  -1.178
 7993TIP3    H130288   0.602   3.932  -1.224
 7993TIP3    H230289   0.521   3.947  -1.097
 7994TIP3   OH230290   0.283   3.594  -1.669
 7994TIP3    H130291   0.187   3.593  -1.652
 7994TIP3    H230292   0.318   3.574  -1.581
 7995TIP3   OH230293  -0.263   3.717  -1.804
 7995TIP3    H130294  -0.345   3.745  -1.850
 7995TIP3    H230295  -0.236   3.638  -1.853
 7996TIP3   OH230296   0.100   3.747  -2.039
 7996TIP3    H130297   0.196   3.761  -2.032
 7996TIP3    H230298   0.073   3.809  -2.110
 7997TIP3   OH230299   0.715   3.508  -1.371
 7997TIP3    H130300   0.656   3.509  -1.293
 7997TIP3    H230301   0.655   3.471  -1.437
 7998TIP3   OH230302  -0.053   3.875  -2.257
 7998TIP3    H130303  -0.111   3.847  -2.330
 7998TIP3    H230304   0.028   3.897  -2.307
 7999TIP3   OH230305  -0.160   4.316  -0.793
 7999TIP3    H130306  -0.105   4.365  -0.729
 7999TIP3    H230307  -0.242   4.304  -0.739
 8000TIP3   OH230308   0.392   3.847  -1.493
 8000TIP3    H130309   0.461   3.794  -1.534
 8000TIP3    H230310   0.371   3.794  -1.413
 8001TIP3   OH230311  -0.096   3.483  -1.867
 8001TIP3    H130312  -0.145   3.400  -1.854
 8001TIP3    H230313  -0.017   3.452  -1.914
 8002TIP3   OH230314   0.282   3.699  -1.270
 8002TIP3    H130315   0.202   3.755  -1.264
 8002TIP3    H230316   0.331   3.722  -1.189
 8003TIP3   OH230317   0.290   4.334  -2.067
 8003TIP3    H130318   0.216   4.291  -2.114
 8003TIP3    H230319   0.267   4.325  -1.974
 8004TIP3   OH230320   1.041   4.265  -1.207
 8004TIP3    H130321   1.067   4.312  -1.288
 8004TIP3    H230322   0.946   4.256  -1.225
 8005TIP3   OH230323   0.711   3.656  -2.215
 8005TIP3    H130324   0.629   3.637  -2.266
 8005TIP3    H230325   0.730   3.747  -2.244
 8006TIP3   OH230326  -0.164   4.251  -1.502
 8006TIP3    H130327  -0.106   4.239  -1.581
 8006TIP3    H230328  -0.157   4.163  -1.461
 8007TIP3   OH230329  -0.461   4.077  -0.971
 8007TIP3    H130330  -0.452   4.043  -0.880
 8007TIP3    H230331  -0.538   4.030  -1.006
 8008TIP3   OH230332   0.229   4.048  -0.765
 8008TIP3    H130333   0.195   4.027  -0.854
 8008TIP3    H230334   0.324   4.028  -0.776
 8009TIP3   OH230335   1.233   3.793  -2.111
 8009TIP3    H130336   1.176   3.771  -2.187
 8009TIP3    H230337   1.240   3.889  -2.126
 8010TIP3   OH230338   0.782   4.173  -1.339
 8010TIP3    H130339   0.692   4.180  -1.374
 8010TIP3    H230340   0.832   4.140  -1.415
 8011TIP3   OH230341  -0.363   4.094  -2.313
 8011TIP3    H130342  -0.305   4.155  -2.266
 8011TIP3    H230343  -0.449   4.110  -2.269
 8012TIP3   OH230344  -0.336   3.563  -1.005
 8012TIP3    H130345  -0.427   3.590  -1.029
 8012TIP3    H230346  -0.351   3.477  -0.961
 8013TIP3   OH230347  -0.185  -4.387  -2.128
 8013TIP3    H130348  -0.276  -4.353  -2.115
 8013TIP3    H230349  -0.140  -4.305  -2.154
 8014TIP3   OH230350   0.561   3.547  -1.151
 8014TIP3    H130351   0.621   3.579  -1.081
 8014TIP3    H230352   0.513   3.475  -1.107
 8015TIP3   OH230353   0.628   3.525  -1.985
 8015TIP3    H130354   0.643   3.564  -2.074
 8015TIP3    H230355   0.716   3.519  -1.949
 8016TIP3   OH230356   0.363   3.698  -1.929
 8016TIP3    H130357   0.447   3.746  -1.921
 8016TIP3    H230358   0.337   3.682  -1.837
 8017TIP3   OH230359   0.406   3.789  -1.012
 8017TIP3    H130360   0.408   3.841  -0.929
 8017TIP3    H230361   0.456   3.710  -0.986
 8018TIP3   OH230362   0.424   3.393  -1.834
 8018TIP3    H130363   0.395   3.460  -1.770
 8018TIP3    H230364   0.495   3.441  -1.881
 8019TIP3   OH230365  -0.003   3.493  -2.180
 8019TIP3    H130366   0.000   3.572  -2.124
 8019TIP3    H230367   0.080   3.448  -2.155
 8020TIP3   OH230368   1.030   3.585  -0.925
 8020TIP3    H130369   0.934   3.596  -0.940
 8020TIP3    H230370   1.056   3.562  -1.015
 8021TIP3   OH230371   0.891   3.963  -1.551
 8021TIP3    H130372   0.803   3.921  -1.553
 8021TIP3    H230373   0.937   3.907  -1.486
 8022TIP3   OH230374  -0.350   3.800  -2.361
 8022TIP3    H130375  -0.336   3.895  -2.344
 8022TIP3    H230376  -0.433   3.800  -2.409
 8023TIP3   OH230377  -0.254   3.299  -1.490
 8023TIP3    H130378  -0.271   3.296  -1.586
 8023TIP3    H230379  -0.292   3.215  -1.459
 8024TIP3   OH230380  -0.404   4.307  -0.680
 8024TIP3    H130381  -0.430   4.213  -0.675
 8024TIP3    H230382  -0.485   4.353  -0.703
 8025TIP3   OH230383   0.183   4.329  -0.726
 8025TIP3    H130384   0.185   4.346  -0.823
 8025TIP3    H230385   0.220   4.239  -0.721
 8026TIP3   OH230386   0.787  -4.377  -0.953
 8026TIP3    H130387   0.866  -4.330  -0.985
 8026TIP3    H230388   0.718  -4.312  -0.972
 8027TIP3   OH230389  -0.349   4.023  -0.708
 8027TIP3    H130390  -0.271   3.966  -0.714
 8027TIP3    H230391  -0.347   4.046  -0.613
 8028TIP3   OH230392   0.108   4.160  -2.190
 8028TIP3    H130393   0.039   4.114  -2.140
 8028TIP3    H230394   0.126   4.099  -2.263
 8029TIP3   OH230395   0.025   3.932  -0.968
 8029TIP3    H130396  -0.033   4.008  -0.950
 8029TIP3    H230397   0.088   3.971  -1.032
 8030TIP3   OH230398   0.192   3.956  -2.374
 8030TIP3    H130399   0.190   3.971  -2.470
 8030TIP3    H230400   0.288   3.962  -2.356
 8031TIP3   OH230401   0.552   4.215  -0.617
 8031TIP3    H130402   0.641   4.196  -0.648
 8031TIP3    H230403   0.520   4.130  -0.587
 8032TIP3   OH230404   1.113   4.188  -2.451
 8032TIP3    H130405   1.115   4.183  -2.547
 8032TIP3    H230406   1.120   4.284  -2.432
 8033TIP3   OH230407   0.081   3.664  -0.856
 8033TIP3    H130408   0.088   3.598  -0.928
 8033TIP3    H230409   0.060   3.745  -0.905
 8034TIP3   OH230410   0.115   3.509  -1.115
 8034TIP3    H130411   0.165   3.566  -1.176
 8034TIP3    H230412   0.023   3.517  -1.147
 8035TIP3   OH230413   0.264   4.065  -1.081
 8035TIP3    H130414   0.349   4.056  -1.127
 8035TIP3    H230415   0.230   4.148  -1.119
 8036TIP3   OH230416   0.728   3.849  -0.593
 8036TIP3    H130417   0.750   3.755  -0.580
 8036TIP3    H230418   0.817   3.888  -0.598
 8037TIP3   OH230419   0.824   4.136  -0.759
 8037TIP3    H130420   0.800   4.208  -0.821
 8037TIP3    H230421   0.915   4.119  -0.787
 8038TIP3   OH230422  -0.104   3.851  -0.677
 8038TIP3    H130423  -0.154   3.767  -0.678
 8038TIP3    H230424  -0.021   3.825  -0.720
 8039TIP3   OH230425   0.186   3.244  -1.077
 8039TIP3    H130426   0.170   3.339  -1.093
 8039TIP3    H230427   0.115   3.203  -1.128
 8040TIP3   OH230428   0.314   3.700  -0.698
 8040TIP3    H130429   0.280   3.681  -0.609
 8040TIP3    H230430   0.234   3.681  -0.751
 8041TIP3   OH230431   0.565   3.605  -0.812
 8041TIP3    H130432   0.478   3.612  -0.768
 8041TIP3    H230433   0.612   3.543  -0.752
 8042TIP3   OH230434   0.751   3.454  -0.638
 8042TIP3    H130435   0.736   3.359  -0.623
 8042TIP3    H230436   0.733   3.494  -0.551
 8043TIP3   OH230437  -0.232   3.594  -0.693
 8043TIP3    H130438  -0.240   3.524  -0.759
 8043TIP3    H230439  -0.254   3.546  -0.611
 8044TIP3   OH230440   0.170   3.191  -0.794
 8044TIP3    H130441   0.230   3.115  -0.788
 8044TIP3    H230442   0.170   3.207  -0.890
 8045TIP3   OH230443   0.265   3.379  -0.609
 8045TIP3    H130444   0.233   3.319  -0.680
 8045TIP3    H230445   0.196   3.447  -0.606
 8046TIP3   OH230446   1.204   4.360  -2.004
 8046TIP3    H130447   1.298   4.360  -2.028
 8046TIP3    H230448   1.188   4.273  -1.965
 8047TIP3   OH230449   1.232   4.124  -1.843
 8047TIP3    H130450   1.166   4.076  -1.791
 8047TIP3    H230451   1.296   4.152  -1.775
 8048TIP3   OH230452   1.257   4.094  -2.193
 8048TIP3    H130453   1.193   4.113  -2.264
 8048TIP3    H230454   1.246   4.172  -2.137
 8049TIP3   OH230455   1.088   3.842  -2.362
 8049TIP3    H130456   1.105   3.907  -2.431
 8049TIP3    H230457   1.063   3.763  -2.414
 8050TIP3   OH230458   0.995   3.879  -1.790
 8050TIP3    H130459   1.048   3.825  -1.730
 8050TIP3    H230460   0.966   3.948  -1.727
 8051TIP3   OH230461  -0.500   4.186  -1.375
 8051TIP3    H130462  -0.490   4.203  -1.470
 8051TIP3    H230463  -0.409   4.162  -1.349
 8052TIP3   OH230464   1.100   4.160  -0.852
 8052TIP3    H130465   1.173   4.101  -0.823
 8052TIP3    H230466   1.143   4.244  -0.876
 8053TIP3   OH230467   1.242   3.965  -0.734
 8053TIP3    H130468   1.161   3.912  -0.751
 8053TIP3    H230469   1.311   3.896  -0.730
 8054TIP3   OH230470   1.028   3.578  -2.442
 8054TIP3    H130471   1.087   3.526  -2.386
 8054TIP3    H230472   0.949   3.522  -2.453
 8055TIP3   OH230473   1.035   3.766  -1.411
 8055TIP3    H130474   1.133   3.777  -1.405
 8055TIP3    H230475   1.014   3.768  -1.316
 8056TIP3   OH230476   1.051   3.837  -1.123
 8056TIP3    H130477   0.965   3.875  -1.097
 8056TIP3    H230478   1.102   3.917  -1.146
 8057TIP3   OH230479  -0.501   3.716  -0.754
 8057TIP3    H130480  -0.407   3.690  -0.750
 8057TIP3    H230481  -0.545   3.630  -0.746
 8058TIP3   OH230482   1.307   3.253  -0.592
 8058TIP3    H130483   1.349   3.183  -0.646
 8058TIP3    H230484   1.310   3.330  -0.652
 8059TIP3   OH230485   1.017   3.493  -1.931
 8059TIP3    H130486   1.065   3.450  -1.857
 8059TIP3    H230487   0.981   3.415  -1.977
 8060TIP3   OH230488  -0.421   3.547  -1.477
 8060TIP3    H130489  -0.376   3.462  -1.464
 8060TIP3    H230490  -0.356   3.609  -1.439
 8061TIP3   OH230491  -0.566   3.813  -1.366
 8061TIP3    H130492  -0.511   3.814  -1.446
 8061TIP3    H230493  -0.537   3.894  -1.321
 8062TIP3   OH230494   1.246   3.458  -0.768
 8062TIP3    H130495   1.158   3.500  -0.762
 8062TIP3    H230496   1.233   3.402  -0.847
 8063TIP3   OH230497   1.253   3.473  -2.282
 8063TIP3    H130498   1.286   3.395  -2.329
 8063TIP3    H230499   1.333   3.527  -2.274
 8064TIP3   OH230500  -0.518   3.451  -1.961
 8064TIP3    H130501  -0.613   3.452  -1.982
 8064TIP3    H230502  -0.479   3.509  -2.028
 8065TIP3   OH230503  -0.517   3.331  -1.155
 8065TIP3    H130504  -0.585   3.312  -1.088
 8065TIP3    H230505  -0.565   3.391  -1.214
 8066TIP3   OH230506   1.133   3.280  -0.970
 8066TIP3    H130507   1.051   3.299  -1.020
 8066TIP3    H230508   1.154   3.190  -1.002
 8067TIP3   OH230509   0.470   3.420  -1.521
 8067TIP3    H130510   0.398   3.355  -1.515
 8067TIP3    H230511   0.531   3.376  -1.582
 8068TIP3   OH230512   0.970   3.239  -1.477
 8068TIP3    H130513   1.046   3.281  -1.520
 8068TIP3    H230514   0.896   3.263  -1.534
 8069TIP3   OH230515   1.167   3.353  -1.706
 8069TIP3    H130516   1.240   3.300  -1.743
 8069TIP3    H230517   1.213   3.437  -1.686
 8070TIP3   OH230518  -0.271   3.261  -1.774
 8070TIP3    H130519  -0.359   3.260  -1.817
 8070TIP3    H230520  -0.246   3.169  -1.781
 8071TIP3   OH230521  -0.405   3.248  -2.178
 8071TIP3    H130522  -0.358   3.315  -2.231
 8071TIP3    H230523  -0.452   3.304  -2.113
 8072TIP3   OH230524   0.151   3.280  -1.783
 8072TIP3    H130525   0.244   3.299  -1.801
 8072TIP3    H230526   0.155   3.253  -1.691
 8073TIP3   OH230527   0.712   3.289  -1.646
 8073TIP3    H130528   0.746   3.262  -1.732
 8073TIP3    H230529   0.678   3.204  -1.612
 8074TIP3   OH230530   0.827   3.295  -2.040
 8074TIP3    H130531   0.741   3.326  -2.072
 8074TIP3    H230532   0.805   3.202  -2.019
 8075TIP3   OH230533  -0.239   3.430  -2.335
 8075TIP3    H130534  -0.176   3.378  -2.388
 8075TIP3    H230535  -0.180   3.465  -2.265
 8076TIP3   OH230536   0.276   3.450  -2.078
 8076TIP3    H130537   0.304   3.394  -2.004
 8076TIP3    H230538   0.288   3.538  -2.040
 8077TIP3   OH230539  -0.310   3.323  -0.818
 8077TIP3    H130540  -0.351   3.243  -0.780
 8077TIP3    H230541  -0.219   3.312  -0.785
 8078TIP3   OH230542  -0.074   3.263  -0.643
 8078TIP3    H130543   0.009   3.227  -0.681
 8078TIP3    H230544  -0.108   3.185  -0.597
 8079TIP3   OH230545   0.740   3.174  -0.625
 8079TIP3    H130546   0.743   3.132  -0.536
 8079TIP3    H230547   0.834   3.171  -0.650
 8080TIP3   OH230548   2.501   4.207  -1.765
 8080TIP3    H130549   2.464   4.295  -1.759
 8080TIP3    H230550   2.426   4.159  -1.803
 8081TIP3   OH230551   2.382   4.130  -1.433
 8081TIP3    H130552   2.382   4.081  -1.350
 8081TIP3    H230553   2.352   4.064  -1.496
 8082TIP3   OH230554   1.625   4.082  -1.270
 8082TIP3    H130555   1.620   4.006  -1.209
 8082TIP3    H230556   1.696   4.134  -1.230
 8083TIP3   OH230557   1.389   3.879  -1.878
 8083TIP3    H130558   1.354   3.970  -1.874
 8083TIP3    H230559   1.321   3.834  -1.929
 8084TIP3   OH230560   1.479   4.132  -1.700
 8084TIP3    H130561   1.483   4.057  -1.637
 8084TIP3    H230562   1.566   4.125  -1.740
 8085TIP3   OH230563   3.094   3.528  -1.318
 8085TIP3    H130564   3.121   3.580  -1.240
 8085TIP3    H230565   3.161   3.555  -1.383
 8086TIP3   OH230566   2.562   3.806  -1.327
 8086TIP3    H130567   2.576   3.710  -1.320
 8086TIP3    H230568   2.552   3.816  -1.423
 8087TIP3   OH230569   1.858   3.606  -1.618
 8087TIP3    H130570   1.872   3.691  -1.664
 8087TIP3    H230571   1.823   3.553  -1.693
 8088TIP3   OH230572   2.643   3.621  -1.789
 8088TIP3    H130573   2.699   3.579  -1.720
 8088TIP3    H230574   2.709   3.672  -1.838
 8089TIP3   OH230575   1.523   3.875  -1.567
 8089TIP3    H130576   1.589   3.832  -1.510
 8089TIP3    H230577   1.537   3.828  -1.651
 8090TIP3   OH230578   2.068   4.018  -1.620
 8090TIP3    H130579   2.135   3.959  -1.580
 8090TIP3    H230580   2.013   3.954  -1.668
 8091TIP3   OH230581   3.169   3.661  -1.066
 8091TIP3    H130582   3.106   3.731  -1.091
 8091TIP3    H230583   3.158   3.659  -0.970
 8092TIP3   OH230584   1.737   3.484  -1.204
 8092TIP3    H130585   1.697   3.536  -1.275
 8092TIP3    H230586   1.672   3.498  -1.132
 8093TIP3   OH230587   2.010   4.266  -1.227
 8093TIP3    H130588   1.929   4.318  -1.215
 8093TIP3    H230589   2.075   4.338  -1.229
 8094TIP3   OH230590   2.826   3.547  -1.584
 8094TIP3    H130591   2.788   3.486  -1.520
 8094TIP3    H230592   2.876   3.607  -1.526
 8095TIP3   OH230593   1.697   3.690  -1.410
 8095TIP3    H130594   1.761   3.746  -1.361
 8095TIP3    H230595   1.756   3.653  -1.479
 8096TIP3   OH230596   2.839   3.463  -1.200
 8096TIP3    H130597   2.762   3.501  -1.245
 8096TIP3    H230598   2.911   3.481  -1.262
 8097TIP3   OH230599   2.151   3.234  -1.496
 8097TIP3    H130600   2.130   3.139  -1.499
 8097TIP3    H230601   2.069   3.271  -1.457
 8098TIP3   OH230602   2.348   4.144  -2.021
 8098TIP3    H130603   2.283   4.180  -2.083
 8098TIP3    H230604   2.425   4.134  -2.079
 8099TIP3   OH230605   2.389   3.942  -2.301
 8099TIP3    H130606   2.464   3.979  -2.249
 8099TIP3    H230607   2.437   3.892  -2.368
 8100TIP3   OH230608   3.104   4.057  -1.198
 8100TIP3    H130609   3.036   4.127  -1.184
 8100TIP3    H230610   3.152   4.096  -1.273
 8101TIP3   OH230611   2.724   4.140  -1.917
 8101TIP3    H130612   2.655   4.162  -1.851
 8101TIP3    H230613   2.786   4.087  -1.865
 8102TIP3   OH230614   2.694   3.981  -1.027
 8102TIP3    H130615   2.696   4.056  -0.966
 8102TIP3    H230616   2.637   4.018  -1.096
 8103TIP3   OH230617   1.876   4.208  -1.725
 8103TIP3    H130618   1.855   4.181  -1.816
 8103TIP3    H230619   1.954   4.153  -1.705
 8104TIP3   OH230620   1.922   4.073  -1.389
 8104TIP3    H130621   1.984   4.075  -1.464
 8104TIP3    H230622   1.958   4.143  -1.331
 8105TIP3   OH230623   2.604   4.073  -2.155
 8105TIP3    H130624   2.660   4.101  -2.079
 8105TIP3    H230625   2.649   4.122  -2.229
 8106TIP3   OH230626   1.712   4.148  -1.000
 8106TIP3    H130627   1.724   4.211  -0.925
 8106TIP3    H230628   1.615   4.139  -0.999
 8107TIP3   OH230629   2.952   3.247  -2.212
 8107TIP3    H130630   2.864   3.256  -2.171
 8107TIP3    H230631   2.986   3.338  -2.206
 8108TIP3   OH230632   1.761   4.089  -1.974
 8108TIP3    H130633   1.745   4.167  -2.031
 8108TIP3    H230634   1.699   4.024  -2.011
 8109TIP3   OH230635   1.356   4.308  -1.096
 8109TIP3    H130636   1.359   4.292  -1.191
 8109TIP3    H230637   1.391   4.224  -1.060
 8110TIP3   OH230638   2.891   3.837  -0.793
 8110TIP3    H130639   2.843   3.874  -0.868
 8110TIP3    H230640   2.899   3.743  -0.819
 8111TIP3   OH230641   1.910   3.349  -1.403
 8111TIP3    H130642   1.827   3.342  -1.454
 8111TIP3    H230643   1.887   3.421  -1.343
 8112TIP3   OH230644   2.346   3.306  -1.039
 8112TIP3    H130645   2.400   3.254  -0.976
 8112TIP3    H230646   2.256   3.271  -1.026
 8113TIP3   OH230647   2.660   3.685  -0.989
 8113TIP3    H130648   2.602   3.670  -0.913
 8113TIP3    H230649   2.655   3.782  -1.003
 8114TIP3   OH230650   2.746   4.182  -2.358
 8114TIP3    H130651   2.724   4.162  -2.451
 8114TIP3    H230652   2.842   4.199  -2.368
 8115TIP3   OH230653   2.328   3.557  -2.312
 8115TIP3    H130654   2.277   3.544  -2.230
 8115TIP3    H230655   2.286   3.490  -2.369
 8116TIP3   OH230656   1.894   3.825  -1.261
 8116TIP3    H130657   1.836   3.838  -1.184
 8116TIP3    H230658   1.902   3.916  -1.297
 8117TIP3   OH230659   1.890   3.835  -1.775
 8117TIP3    H130660   1.794   3.827  -1.791
 8117TIP3    H230661   1.924   3.815  -1.864
 8118TIP3   OH230662   2.453   3.901  -1.893
 8118TIP3    H130663   2.404   3.974  -1.934
 8118TIP3    H230664   2.516   3.878  -1.963
 8119TIP3   OH230665   2.369   3.921  -0.753
 8119TIP3    H130666   2.320   3.843  -0.721
 8119TIP3    H230667   2.458   3.905  -0.716
 8120TIP3   OH230668   2.533   3.831  -1.620
 8120TIP3    H130669   2.505   3.884  -1.697
 8120TIP3    H230670   2.557   3.748  -1.666
 8121TIP3   OH230671   1.634   3.840  -1.084
 8121TIP3    H130672   1.655   3.879  -0.998
 8121TIP3    H230673   1.598   3.753  -1.058
 8122TIP3   OH230674   1.971   3.603  -2.422
 8122TIP3    H130675   1.935   3.567  -2.339
 8122TIP3    H230676   1.892   3.616  -2.475
 8123TIP3   OH230677   1.311   3.589  -1.712
 8123TIP3    H130678   1.373   3.591  -1.637
 8123TIP3    H230679   1.366   3.555  -1.784
 8124TIP3   OH230680   1.470   3.634  -2.139
 8124TIP3    H130681   1.525   3.681  -2.206
 8124TIP3    H230682   1.399   3.699  -2.125
 8125TIP3   OH230683   2.432   3.997  -1.176
 8125TIP3    H130684   2.486   3.930  -1.224
 8125TIP3    H230685   2.405   3.945  -1.098
 8126TIP3   OH230686   2.166   3.595  -1.671
 8126TIP3    H130687   2.072   3.590  -1.648
 8126TIP3    H230688   2.209   3.575  -1.586
 8127TIP3   OH230689   1.620   3.716  -1.803
 8127TIP3    H130690   1.542   3.744  -1.853
 8127TIP3    H230691   1.653   3.638  -1.852
 8128TIP3   OH230692   1.986   3.751  -2.036
 8128TIP3    H130693   2.083   3.758  -2.031
 8128TIP3    H230694   1.962   3.810  -2.109
 8129TIP3   OH230695   2.604   3.509  -1.370
 8129TIP3    H130696   2.542   3.509  -1.295
 8129TIP3    H230697   2.546   3.474  -1.440
 8130TIP3   OH230698   1.830   3.877  -2.258
 8130TIP3    H130699   1.774   3.844  -2.330
 8130TIP3    H230700   1.912   3.897  -2.306
 8131TIP3   OH230701   1.726   4.316  -0.793
 8131TIP3    H130702   1.780   4.365  -0.728
 8131TIP3    H230703   1.644   4.304  -0.740
 8132TIP3   OH230704   2.266   3.850  -1.489
 8132TIP3    H130705   2.342   3.808  -1.533
 8132TIP3    H230706   2.251   3.791  -1.413
 8133TIP3   OH230707   1.797   3.490  -1.873
 8133TIP3    H130708   1.743   3.411  -1.857
 8133TIP3    H230709   1.878   3.453  -1.909
 8134TIP3   OH230710   2.165   3.695  -1.266
 8134TIP3    H130711   2.087   3.753  -1.262
 8134TIP3    H230712   2.216   3.720  -1.186
 8135TIP3   OH230713   2.136   4.366  -2.052
 8135TIP3    H130714   2.095   4.300  -2.112
 8135TIP3    H230715   2.185   4.313  -1.988
 8136TIP3   OH230716   2.928   4.267  -1.208
 8136TIP3    H130717   2.950   4.311  -1.292
 8136TIP3    H230718   2.832   4.255  -1.223
 8137TIP3   OH230719   2.595   3.618  -2.299
 8137TIP3    H130720   2.497   3.613  -2.302
 8137TIP3    H230721   2.612   3.689  -2.234
 8138TIP3   OH230722   2.665   3.797  -2.090
 8138TIP3    H130723   2.753   3.782  -2.050
 8138TIP3    H230724   2.675   3.883  -2.133
 8139TIP3   OH230725   1.706   4.236  -1.516
 8139TIP3    H130726   1.777   4.235  -1.584
 8139TIP3    H230727   1.733   4.162  -1.459
 8140TIP3   OH230728   1.428   4.078  -0.971
 8140TIP3    H130729   1.436   4.043  -0.880
 8140TIP3    H230730   1.350   4.030  -1.006
 8141TIP3   OH230731   2.115   4.050  -0.766
 8141TIP3    H130732   2.082   4.027  -0.855
 8141TIP3    H230733   2.209   4.027  -0.775
 8142TIP3   OH230734   3.120   3.794  -2.120
 8142TIP3    H130735   3.066   3.777  -2.200
 8142TIP3    H230736   3.136   3.889  -2.130
 8143TIP3   OH230737   2.670   4.180  -1.345
 8143TIP3    H130738   2.577   4.177  -1.374
 8143TIP3    H230739   2.716   4.130  -1.414
 8144TIP3   OH230740   1.523   4.094  -2.313
 8144TIP3    H130741   1.582   4.155  -2.267
 8144TIP3    H230742   1.438   4.112  -2.269
 8145TIP3   OH230743   1.550   3.565  -1.004
 8145TIP3    H130744   1.459   3.589  -1.030
 8145TIP3    H230745   1.536   3.478  -0.963
 8146TIP3   OH230746   1.699  -4.387  -2.130
 8146TIP3    H130747   1.609  -4.352  -2.114
 8146TIP3    H230748   1.745  -4.305  -2.154
 8147TIP3   OH230749   2.446   3.549  -1.150
 8147TIP3    H130750   2.509   3.577  -1.081
 8147TIP3    H230751   2.399   3.475  -1.107
 8148TIP3   OH230752   2.510   3.492  -2.023
 8148TIP3    H130753   2.529   3.545  -2.102
 8148TIP3    H230754   2.557   3.542  -1.954
 8149TIP3   OH230755   2.252   3.694  -1.929
 8149TIP3    H130756   2.330   3.751  -1.912
 8149TIP3    H230757   2.222   3.674  -1.838
 8150TIP3   OH230758   2.293   3.792  -1.012
 8150TIP3    H130759   2.297   3.840  -0.927
 8150TIP3    H230760   2.340   3.710  -0.990
 8151TIP3   OH230761   2.309   3.394  -1.836
 8151TIP3    H130762   2.292   3.461  -1.768
 8151TIP3    H230763   2.383   3.434  -1.885
 8152TIP3   OH230764   1.883   3.495  -2.183
 8152TIP3    H130765   1.886   3.570  -2.122
 8152TIP3    H230766   1.964   3.446  -2.156
 8153TIP3   OH230767   2.915   3.585  -0.923
 8153TIP3    H130768   2.819   3.596  -0.941
 8153TIP3    H230769   2.944   3.560  -1.012
 8154TIP3   OH230770   2.777   3.967  -1.547
 8154TIP3    H130771   2.691   3.925  -1.558
 8154TIP3    H230772   2.823   3.903  -1.488
 8155TIP3   OH230773   1.534   3.799  -2.359
 8155TIP3    H130774   1.551   3.893  -2.344
 8155TIP3    H230775   1.453   3.800  -2.410
 8156TIP3   OH230776   1.630   3.304  -1.485
 8156TIP3    H130777   1.612   3.301  -1.581
 8156TIP3    H230778   1.598   3.217  -1.454
 8157TIP3   OH230779   1.482   4.306  -0.683
 8157TIP3    H130780   1.456   4.213  -0.674
 8157TIP3    H230781   1.400   4.353  -0.700
 8158TIP3   OH230782   2.070   4.329  -0.726
 8158TIP3    H130783   2.071   4.345  -0.823
 8158TIP3    H230784   2.105   4.238  -0.722
 8159TIP3   OH230785   2.672  -4.376  -0.954
 8159TIP3    H130786   2.751  -4.329  -0.984
 8159TIP3    H230787   2.603  -4.310  -0.970
 8160TIP3   OH230788   1.537   4.022  -0.708
 8160TIP3    H130789   1.616   3.965  -0.714
 8160TIP3    H230790   1.538   4.045  -0.613
 8161TIP3   OH230791   1.998   4.160  -2.196
 8161TIP3    H130792   1.929   4.119  -2.142
 8161TIP3    H230793   2.010   4.094  -2.267
 8162TIP3   OH230794   1.910   3.932  -0.969
 8162TIP3    H130795   1.854   4.010  -0.950
 8162TIP3    H230796   1.974   3.970  -1.032
 8163TIP3   OH230797   2.078   3.957  -2.373
 8163TIP3    H130798   2.075   3.971  -2.470
 8163TIP3    H230799   2.174   3.957  -2.356
 8164TIP3   OH230800   2.438   4.216  -0.614
 8164TIP3    H130801   2.526   4.195  -0.648
 8164TIP3    H230802   2.405   4.129  -0.587
 8165TIP3   OH230803   3.000   4.191  -2.447
 8165TIP3    H130804   2.999   4.174  -2.543
 8165TIP3    H230805   3.025   4.286  -2.442
 8166TIP3   OH230806   1.967   3.663  -0.856
 8166TIP3    H130807   1.973   3.597  -0.928
 8166TIP3    H230808   1.946   3.744  -0.905
 8167TIP3   OH230809   2.000   3.510  -1.112
 8167TIP3    H130810   2.052   3.562  -1.176
 8167TIP3    H230811   1.909   3.514  -1.148
 8168TIP3   OH230812   2.149   4.065  -1.081
 8168TIP3    H130813   2.234   4.054  -1.126
 8168TIP3    H230814   2.116   4.148  -1.120
 8169TIP3   OH230815   2.615   3.849  -0.592
 8169TIP3    H130816   2.635   3.755  -0.582
 8169TIP3    H230817   2.704   3.887  -0.598
 8170TIP3   OH230818   2.708   4.136  -0.758
 8170TIP3    H130819   2.686   4.208  -0.822
 8170TIP3    H230820   2.799   4.116  -0.785
 8171TIP3   OH230821   1.781   3.851  -0.678
 8171TIP3    H130822   1.732   3.767  -0.678
 8171TIP3    H230823   1.864   3.824  -0.720
 8172TIP3   OH230824   2.071   3.243  -1.075
 8172TIP3    H130825   2.054   3.338  -1.092
 8172TIP3    H230826   2.002   3.201  -1.129
 8173TIP3   OH230827   2.199   3.701  -0.698
 8173TIP3    H130828   2.164   3.681  -0.609
 8173TIP3    H230829   2.119   3.681  -0.751
 8174TIP3   OH230830   2.451   3.607  -0.810
 8174TIP3    H130831   2.364   3.611  -0.768
 8174TIP3    H230832   2.499   3.543  -0.753
 8175TIP3   OH230833   2.634   3.455  -0.639
 8175TIP3    H130834   2.623   3.359  -0.624
 8175TIP3    H230835   2.619   3.494  -0.551
 8176TIP3   OH230836   1.654   3.594  -0.692
 8176TIP3    H130837   1.646   3.524  -0.759
 8176TIP3    H230838   1.631   3.546  -0.610
 8177TIP3   OH230839   2.056   3.191  -0.794
 8177TIP3    H130840   2.116   3.115  -0.789
 8177TIP3    H230841   2.053   3.207  -0.891
 8178TIP3   OH230842   2.149   3.378  -0.607
 8178TIP3    H130843   2.121   3.319  -0.680
 8178TIP3    H230844   2.081   3.447  -0.608
 8179TIP3   OH230845   3.138   4.131  -2.169
 8179TIP3    H130846   3.085   4.100  -2.245
 8179TIP3    H230847   3.106   4.224  -2.171
 8180TIP3   OH230848   2.977   3.846  -2.362
 8180TIP3    H130849   2.992   3.904  -2.438
 8180TIP3    H230850   2.947   3.763  -2.404
 8181TIP3   OH230851   2.948   3.987  -1.781
 8181TIP3    H130852   2.931   3.893  -1.798
 8181TIP3    H230853   2.905   3.999  -1.694
 8182TIP3   OH230854   1.387   4.187  -1.375
 8182TIP3    H130855   1.397   4.204  -1.470
 8182TIP3    H230856   1.478   4.161  -1.349
 8183TIP3   OH230857   2.987   4.160  -0.853
 8183TIP3    H130858   3.058   4.099  -0.826
 8183TIP3    H230859   3.032   4.244  -0.871
 8184TIP3   OH230860   3.128   3.964  -0.734
 8184TIP3    H130861   3.048   3.909  -0.752
 8184TIP3    H230862   3.198   3.896  -0.732
 8185TIP3   OH230863   2.914   3.582  -2.438
 8185TIP3    H130864   2.974   3.529  -2.383
 8185TIP3    H230865   2.836   3.526  -2.449
 8186TIP3   OH230866   2.903   3.721  -1.939
 8186TIP3    H130867   2.919   3.625  -1.929
 8186TIP3    H230868   2.983   3.746  -1.989
 8187TIP3   OH230869   2.920   3.772  -1.405
 8187TIP3    H130870   3.018   3.778  -1.403
 8187TIP3    H230871   2.902   3.771  -1.309
 8188TIP3   OH230872   2.937   3.838  -1.121
 8188TIP3    H130873   2.851   3.875  -1.096
 8188TIP3    H230874   2.988   3.918  -1.144
 8189TIP3   OH230875   1.385   3.716  -0.754
 8189TIP3    H130876   1.479   3.690  -0.751
 8189TIP3    H230877   1.341   3.629  -0.746
 8190TIP3   OH230878   3.191   3.250  -0.593
 8190TIP3    H130879   3.233   3.182  -0.649
 8190TIP3    H230880   3.196   3.329  -0.650
 8191TIP3   OH230881   2.942   3.435  -1.949
 8191TIP3    H130882   2.957   3.398  -1.859
 8191TIP3    H230883   2.864   3.383  -1.977
 8192TIP3   OH230884   1.463   3.547  -1.474
 8192TIP3    H130885   1.509   3.462  -1.465
 8192TIP3    H230886   1.531   3.608  -1.440
 8193TIP3   OH230887   1.316   3.815  -1.371
 8193TIP3    H130888   1.380   3.815  -1.444
 8193TIP3    H230889   1.347   3.891  -1.320
 8194TIP3   OH230890   3.130   3.457  -0.766
 8194TIP3    H130891   3.042   3.500  -0.765
 8194TIP3    H230892   3.121   3.402  -0.846
 8195TIP3   OH230893   3.142   3.477  -2.283
 8195TIP3    H130894   3.171   3.395  -2.327
 8195TIP3    H230895   3.225   3.526  -2.276
 8196TIP3   OH230896   1.349   3.447  -1.973
 8196TIP3    H130897   1.261   3.480  -1.993
 8196TIP3    H230898   1.406   3.506  -2.027
 8197TIP3   OH230899   1.372   3.338  -1.148
 8197TIP3    H130900   1.301   3.309  -1.088
 8197TIP3    H230901   1.321   3.388  -1.214
 8198TIP3   OH230902   3.016   3.279  -0.968
 8198TIP3    H130903   2.936   3.296  -1.022
 8198TIP3    H230904   3.040   3.189  -1.000
 8199TIP3   OH230905   2.359   3.431  -1.525
 8199TIP3    H130906   2.291   3.362  -1.509
 8199TIP3    H230907   2.422   3.382  -1.582
 8200TIP3   OH230908   2.854   3.235  -1.476
 8200TIP3    H130909   2.932   3.276  -1.516
 8200TIP3    H230910   2.782   3.263  -1.535
 8201TIP3   OH230911   3.060   3.345  -1.698
 8201TIP3    H130912   3.135   3.299  -1.740
 8201TIP3    H230913   3.096   3.433  -1.680
 8202TIP3   OH230914   1.593   3.301  -1.770
 8202TIP3    H130915   1.506   3.283  -1.811
 8202TIP3    H230916   1.638   3.215  -1.782
 8203TIP3   OH230917   1.476   3.250  -2.178
 8203TIP3    H130918   1.528   3.316  -2.229
 8203TIP3    H230919   1.432   3.306  -2.112
 8204TIP3   OH230920   2.041   3.285  -1.780
 8204TIP3    H130921   2.133   3.313  -1.794
 8204TIP3    H230922   2.040   3.275  -1.684
 8205TIP3   OH230923   2.599   3.289  -1.641
 8205TIP3    H130924   2.629   3.269  -1.730
 8205TIP3    H230925   2.563   3.203  -1.613
 8206TIP3   OH230926   2.713   3.288  -2.041
 8206TIP3    H130927   2.630   3.338  -2.054
 8206TIP3    H230928   2.679   3.199  -2.025
 8207TIP3   OH230929   1.647   3.432  -2.334
 8207TIP3    H130930   1.707   3.377  -2.387
 8207TIP3    H230931   1.708   3.465  -2.266
 8208TIP3   OH230932   2.157   3.451  -2.075
 8208TIP3    H130933   2.193   3.393  -2.005
 8208TIP3    H230934   2.177   3.538  -2.036
 8209TIP3   OH230935   1.574   3.324  -0.815
 8209TIP3    H130936   1.535   3.243  -0.780
 8209TIP3    H230937   1.667   3.312  -0.788
 8210TIP3   OH230938   1.814   3.264  -0.641
 8210TIP3    H130939   1.895   3.229  -0.682
 8210TIP3    H230940   1.778   3.184  -0.599
 8211TIP3   OH230941   2.626   3.175  -0.623
 8211TIP3    H130942   2.631   3.133  -0.535
 8211TIP3    H230943   2.719   3.171  -0.652
 8212TIP3   OH230944   4.194   4.105  -1.412
 8212TIP3    H130945   4.276   4.126  -1.364
 8212TIP3    H230946   4.227   4.080  -1.499
 8213TIP3   OH230947   3.509   4.085  -1.271
 8213TIP3    H130948   3.504   4.007  -1.213
 8213TIP3    H230949   3.581   4.133  -1.227
 8214TIP3   OH230950   3.252   3.917  -1.895
 8214TIP3    H130951   3.188   3.953  -1.832
 8214TIP3    H230952   3.212   3.832  -1.916
 8215TIP3   OH230953   3.339   4.152  -1.735
 8215TIP3    H130954   3.320   4.082  -1.669
 8215TIP3    H230955   3.435   4.143  -1.735
 8216TIP3   OH230956   3.744   3.607  -1.619
 8216TIP3    H130957   3.758   3.693  -1.664
 8216TIP3    H230958   3.709   3.554  -1.693
 8217TIP3   OH230959   3.406   3.882  -1.571
 8217TIP3    H130960   3.472   3.843  -1.511
 8217TIP3    H230961   3.425   3.832  -1.653
 8218TIP3   OH230962   3.953   4.015  -1.619
 8218TIP3    H130963   4.026   3.960  -1.584
 8218TIP3    H230964   3.900   3.948  -1.665
 8219TIP3   OH230965   3.628   3.485  -1.204
 8219TIP3    H130966   3.585   3.536  -1.274
 8219TIP3    H230967   3.561   3.493  -1.132
 8220TIP3   OH230968   3.890   4.266  -1.222
 8220TIP3    H130969   3.811   4.322  -1.217
 8220TIP3    H230970   3.960   4.333  -1.220
 8221TIP3   OH230971   3.582   3.693  -1.411
 8221TIP3    H130972   3.648   3.747  -1.361
 8221TIP3    H230973   3.641   3.654  -1.478
 8222TIP3   OH230974   4.043   3.231  -1.490
 8222TIP3    H130975   4.015   3.137  -1.489
 8222TIP3    H230976   3.964   3.274  -1.452
 8223TIP3   OH230977   4.265   4.126  -2.026
 8223TIP3    H130978   4.197   4.192  -2.050
 8223TIP3    H230979   4.329   4.141  -2.096
 8224TIP3   OH230980   4.285   3.957  -2.296
 8224TIP3    H130981   4.372   3.962  -2.255
 8224TIP3    H230982   4.297   3.893  -2.367
 8225TIP3   OH230983   3.765   4.212  -1.729
 8225TIP3    H130984   3.742   4.173  -1.815
 8225TIP3    H230985   3.838   4.154  -1.700
 8226TIP3   OH230986   3.803   4.082  -1.394
 8226TIP3    H130987   3.872   4.073  -1.462
 8226TIP3    H230988   3.844   4.145  -1.332
 8227TIP3   OH230989   3.597   4.152  -1.003
 8227TIP3    H130990   3.610   4.212  -0.925
 8227TIP3    H230991   3.501   4.142  -1.000
 8228TIP3   OH230992   3.646   4.090  -1.973
 8228TIP3    H130993   3.631   4.166  -2.034
 8228TIP3    H230994   3.588   4.022  -2.009
 8229TIP3   OH230995   3.262   4.312  -1.100
 8229TIP3    H130996   3.238   4.286  -1.190
 8229TIP3    H230997   3.279   4.226  -1.057
 8230TIP3   OH230998   3.798   3.351  -1.406
 8230TIP3    H130999   3.714   3.341  -1.454
 8230TIP3    H231000   3.774   3.420  -1.343
 8231TIP3   OH231001   4.234   3.284  -0.977
 8231TIP3    H131002   4.244   3.212  -0.913
 8231TIP3    H231003   4.143   3.269  -1.008
 8232TIP3   OH231004   4.232   3.564  -2.307
 8232TIP3    H131005   4.171   3.548  -2.233
 8232TIP3    H231006   4.202   3.496  -2.369
 8233TIP3   OH231007   3.777   3.828  -1.261
 8233TIP3    H131008   3.721   3.837  -1.182
 8233TIP3    H231009   3.783   3.919  -1.294
 8234TIP3   OH231010   3.773   3.835  -1.776
 8234TIP3    H131011   3.677   3.826  -1.792
 8234TIP3    H231012   3.808   3.815  -1.864
 8235TIP3   OH231013   4.275   3.878  -1.831
 8235TIP3    H131014   4.271   3.974  -1.849
 8235TIP3    H231015   4.367   3.863  -1.804
 8236TIP3   OH231016   4.263   3.923  -0.706
 8236TIP3    H131017   4.197   3.852  -0.716
 8236TIP3    H231018   4.343   3.872  -0.731
 8237TIP3   OH231019   3.519   3.843  -1.081
 8237TIP3    H131020   3.543   3.876  -0.994
 8237TIP3    H231021   3.486   3.754  -1.059
 8238TIP3   OH231022   3.861   3.609  -2.421
 8238TIP3    H131023   3.823   3.569  -2.340
 8238TIP3    H231024   3.784   3.617  -2.479
 8239TIP3   OH231025   3.213   3.610  -1.724
 8239TIP3    H131026   3.261   3.592  -1.641
 8239TIP3    H231027   3.250   3.546  -1.787
 8240TIP3   OH231028   3.360   3.634  -2.142
 8240TIP3    H131029   3.413   3.681  -2.209
 8240TIP3    H231030   3.288   3.697  -2.128
 8241TIP3   OH231031   4.346   3.973  -1.142
 8241TIP3    H131032   4.378   3.902  -1.202
 8241TIP3    H231033   4.272   3.925  -1.100
 8242TIP3   OH231034   4.049   3.579  -1.668
 8242TIP3    H131035   3.955   3.584  -1.644
 8242TIP3    H231036   4.090   3.586  -1.580
 8243TIP3   OH231037   3.506   3.725  -1.814
 8243TIP3    H131038   3.418   3.733  -1.854
 8243TIP3    H231039   3.538   3.641  -1.853
 8244TIP3   OH231040   3.873   3.747  -2.039
 8244TIP3    H131041   3.969   3.760  -2.030
 8244TIP3    H231042   3.847   3.811  -2.108
 8245TIP3   OH231043   3.718   3.882  -2.260
 8245TIP3    H131044   3.662   3.844  -2.330
 8245TIP3    H231045   3.802   3.893  -2.307
 8246TIP3   OH231046   3.611   4.319  -0.795
 8246TIP3    H131047   3.668   4.360  -0.726
 8246TIP3    H231048   3.530   4.303  -0.741
 8247TIP3   OH231049   4.145   3.829  -1.527
 8247TIP3    H131050   4.215   3.781  -1.573
 8247TIP3    H231051   4.161   3.802  -1.434
 8248TIP3   OH231052   3.679   3.493  -1.873
 8248TIP3    H131053   3.623   3.415  -1.855
 8248TIP3    H231054   3.760   3.452  -1.906
 8249TIP3   OH231055   4.051   3.686  -1.263
 8249TIP3    H131056   3.978   3.749  -1.271
 8249TIP3    H231057   4.105   3.726  -1.192
 8250TIP3   OH231058   4.067   4.334  -2.064
 8250TIP3    H131059   3.994   4.290  -2.113
 8250TIP3    H231060   4.044   4.319  -1.972
 8251TIP3   OH231061   3.572   4.224  -1.537
 8251TIP3    H131062   3.656   4.231  -1.587
 8251TIP3    H231063   3.599   4.163  -1.465
 8252TIP3   OH231064   3.306   4.082  -0.966
 8252TIP3    H131065   3.324   4.042  -0.878
 8252TIP3    H231066   3.238   4.024  -1.003
 8253TIP3   OH231067   4.002   4.068  -0.755
 8253TIP3    H131068   3.954   4.009  -0.815
 8253TIP3    H231069   4.088   4.025  -0.748
 8254TIP3   OH231070   3.401   4.092  -2.309
 8254TIP3    H131071   3.467   4.149  -2.268
 8254TIP3    H231072   3.320   4.124  -2.266
 8255TIP3   OH231073   3.439   3.563  -1.009
 8255TIP3    H131074   3.347   3.588  -1.029
 8255TIP3    H231075   3.425   3.479  -0.961
 8256TIP3   OH231076   3.586  -4.386  -2.130
 8256TIP3    H131077   3.496  -4.349  -2.117
 8256TIP3    H231078   3.634  -4.307  -2.158
 8257TIP3   OH231079   4.339   3.590  -1.100
 8257TIP3    H131080   4.375   3.516  -1.052
 8257TIP3    H231081   4.272   3.549  -1.156
 8258TIP3   OH231082   4.135   3.675  -1.931
 8258TIP3    H131083   4.197   3.747  -1.904
 8258TIP3    H231084   4.099   3.656  -1.843
 8259TIP3   OH231085   4.176   3.793  -1.019
 8259TIP3    H131086   4.172   3.828  -0.929
 8259TIP3    H231087   4.236   3.717  -1.011
 8260TIP3   OH231088   4.193   3.389  -1.812
 8260TIP3    H131089   4.166   3.467  -1.758
 8260TIP3    H231090   4.271   3.424  -1.858
 8261TIP3   OH231091   3.769   3.496  -2.185
 8261TIP3    H131092   3.770   3.570  -2.122
 8261TIP3    H231093   3.848   3.446  -2.159
 8262TIP3   OH231094   3.423   3.800  -2.360
 8262TIP3    H131095   3.434   3.895  -2.343
 8262TIP3    H231096   3.341   3.797  -2.411
 8263TIP3   OH231097   3.518   3.303  -1.485
 8263TIP3    H131098   3.496   3.298  -1.580
 8263TIP3    H231099   3.484   3.218  -1.451
 8264TIP3   OH231100   3.366   4.306  -0.684
 8264TIP3    H131101   3.346   4.213  -0.665
 8264TIP3    H231102   3.281   4.346  -0.705
 8265TIP3   OH231103   3.960   4.332  -0.723
 8265TIP3    H131104   3.958   4.339  -0.820
 8265TIP3    H231105   3.986   4.238  -0.713
 8266TIP3   OH231106   3.430   4.017  -0.709
 8266TIP3    H131107   3.499   3.950  -0.711
 8266TIP3    H231108   3.434   4.044  -0.615
 8267TIP3   OH231109   3.876   4.163  -2.193
 8267TIP3    H131110   3.814   4.113  -2.140
 8267TIP3    H231111   3.900   4.100  -2.263
 8268TIP3   OH231112   3.798   3.944  -0.962
 8268TIP3    H131113   3.741   4.021  -0.948
 8268TIP3    H231114   3.861   3.977  -1.029
 8269TIP3   OH231115   3.977   3.957  -2.369
 8269TIP3    H131116   3.971   3.967  -2.466
 8269TIP3    H231117   4.073   3.969  -2.354
 8270TIP3   OH231118   4.287   4.197  -0.602
 8270TIP3    H131119   4.351   4.161  -0.664
 8270TIP3    H231120   4.235   4.118  -0.585
 8271TIP3   OH231121   3.863   3.671  -0.844
 8271TIP3    H131122   3.848   3.611  -0.918
 8271TIP3    H231123   3.821   3.754  -0.873
 8272TIP3   OH231124   3.886   3.511  -1.104
 8272TIP3    H131125   3.934   3.571  -1.165
 8272TIP3    H231126   3.794   3.515  -1.137
 8273TIP3   OH231127   4.058   4.062  -1.089
 8273TIP3    H131128   4.134   4.060  -1.149
 8273TIP3    H231129   4.018   4.148  -1.110
 8274TIP3   OH231130   3.973   3.251  -1.078
 8274TIP3    H131131   3.946   3.345  -1.089
 8274TIP3    H231132   3.903   3.206  -1.130
 8275TIP3   OH231133   4.102   3.692  -0.711
 8275TIP3    H131134   4.069   3.668  -0.623
 8275TIP3    H231135   4.020   3.676  -0.763
 8276TIP3   OH231136   3.535   3.608  -0.705
 8276TIP3    H131137   3.532   3.529  -0.760
 8276TIP3    H231138   3.521   3.573  -0.615
 8277TIP3   OH231139   3.941   3.190  -0.793
 8277TIP3    H131140   4.006   3.118  -0.791
 8277TIP3    H231141   3.940   3.211  -0.888
 8278TIP3   OH231142   4.043   3.370  -0.602
 8278TIP3    H131143   4.004   3.319  -0.676
 8278TIP3    H231144   3.979   3.444  -0.594
 8279TIP3   OH231145   3.274   4.190  -1.379
 8279TIP3    H131146   3.291   4.190  -1.474
 8279TIP3    H231147   3.361   4.162  -1.344
 8280TIP3   OH231148   3.270   3.713  -0.767
 8280TIP3    H131149   3.365   3.698  -0.746
 8280TIP3    H231150   3.233   3.626  -0.748
 8281TIP3   OH231151   3.348   3.548  -1.478
 8281TIP3    H131152   3.391   3.462  -1.464
 8281TIP3    H231153   3.415   3.608  -1.439
 8282TIP3   OH231154   3.202   3.816  -1.371
 8282TIP3    H131155   3.264   3.812  -1.445
 8282TIP3    H231156   3.237   3.891  -1.321
 8283TIP3   OH231157   3.249   3.449  -1.963
 8283TIP3    H131158   3.155   3.454  -1.985
 8283TIP3    H231159   3.291   3.507  -2.029
 8284TIP3   OH231160   3.258   3.343  -1.146
 8284TIP3    H131161   3.189   3.305  -1.090
 8284TIP3    H231162   3.204   3.384  -1.216
 8285TIP3   OH231163   4.263   3.398  -1.521
 8285TIP3    H131164   4.181   3.348  -1.508
 8285TIP3    H231165   4.296   3.359  -1.603
 8286TIP3   OH231166   3.482   3.302  -1.772
 8286TIP3    H131167   3.394   3.285  -1.812
 8286TIP3    H231168   3.523   3.214  -1.780
 8287TIP3   OH231169   3.360   3.251  -2.181
 8287TIP3    H131170   3.412   3.316  -2.231
 8287TIP3    H231171   3.322   3.304  -2.110
 8288TIP3   OH231172   3.932   3.286  -1.779
 8288TIP3    H131173   4.025   3.314  -1.786
 8288TIP3    H231174   3.924   3.275  -1.684
 8289TIP3   OH231175   3.533   3.433  -2.336
 8289TIP3    H131176   3.592   3.377  -2.388
 8289TIP3    H231177   3.594   3.465  -2.267
 8290TIP3   OH231178   4.066   3.451  -2.080
 8290TIP3    H131179   4.066   3.390  -2.005
 8290TIP3    H231180   4.061   3.537  -2.035
 8291TIP3   OH231181   3.458   3.331  -0.810
 8291TIP3    H131182   3.422   3.247  -0.778
 8291TIP3    H231183   3.551   3.322  -0.785
 8292TIP3   OH231184   3.698   3.261  -0.642
 8292TIP3    H131185   3.781   3.227  -0.681
 8292TIP3    H231186   3.663   3.181  -0.600
 8293TIP3   OH231187  -3.161  -3.367   0.145
 8293TIP3    H131188  -3.160  -3.271   0.155
 8293TIP3    H231189  -3.237  -3.379   0.086
 8294TIP3   OH231190  -3.277  -3.422   0.451
 8294TIP3    H131191  -3.276  -3.478   0.530
 8294TIP3    H231192  -3.302  -3.485   0.382
 8295TIP3   OH231193  -4.029  -3.463   0.616
 8295TIP3    H131194  -4.032  -3.537   0.679
 8295TIP3    H231195  -3.958  -3.409   0.654
 8296TIP3   OH231196  -2.908  -3.149   0.283
 8296TIP3    H131197  -2.944  -3.220   0.338
 8296TIP3    H231198  -2.876  -3.087   0.350
 8297TIP3   OH231199  -3.960  -3.003   0.467
 8297TIP3    H131200  -3.987  -3.092   0.440
 8297TIP3    H231201  -3.866  -3.017   0.485
 8298TIP3   OH231202  -4.214  -3.612  -0.107
 8298TIP3    H131203  -4.227  -3.536  -0.048
 8298TIP3    H231204  -4.306  -3.639  -0.121
 8299TIP3   OH231205  -4.204  -3.430   0.165
 8299TIP3    H131206  -4.188  -3.488   0.241
 8299TIP3    H231207  -4.120  -3.383   0.156
 8300TIP3   OH231208  -3.203  -2.614   0.340
 8300TIP3    H131209  -3.143  -2.683   0.307
 8300TIP3    H231210  -3.227  -2.649   0.426
 8301TIP3   OH231211  -3.426  -3.172   0.508
 8301TIP3    H131212  -3.393  -3.244   0.451
 8301TIP3    H231213  -3.345  -3.155   0.559
 8302TIP3   OH231214  -2.563  -4.013   0.554
 8302TIP3    H131215  -2.532  -3.982   0.640
 8302TIP3    H231216  -2.496  -3.974   0.496
 8303TIP3   OH231217  -3.100  -3.740   0.560
 8303TIP3    H131218  -3.077  -3.835   0.561
 8303TIP3    H231219  -3.105  -3.724   0.464
 8304TIP3   OH231220  -3.802  -3.941   0.270
 8304TIP3    H131221  -3.783  -3.857   0.224
 8304TIP3    H231222  -3.832  -3.995   0.195
 8305TIP3   OH231223  -3.011  -3.922   0.102
 8305TIP3    H131224  -2.950  -3.964   0.166
 8305TIP3    H231225  -2.948  -3.877   0.044
 8306TIP3   OH231226  -4.139  -3.663   0.320
 8306TIP3    H131227  -4.080  -3.705   0.385
 8306TIP3    H231228  -4.120  -3.716   0.241
 8307TIP3   OH231229  -3.593  -3.526   0.264
 8307TIP3    H131230  -3.522  -3.580   0.301
 8307TIP3    H231231  -3.643  -3.593   0.214
 8308TIP3   OH231232  -2.472  -3.841   0.819
 8308TIP3    H131233  -2.560  -3.803   0.803
 8308TIP3    H231234  -2.486  -3.904   0.890
 8309TIP3   OH231235  -3.917  -4.051   0.689
 8309TIP3    H131236  -3.957  -4.010   0.612
 8309TIP3    H231237  -3.987  -4.034   0.756
 8310TIP3   OH231238  -3.172  -3.084   0.023
 8310TIP3    H131239  -3.200  -3.103  -0.067
 8310TIP3    H231240  -3.215  -2.998   0.041
 8311TIP3   OH231241  -3.626  -3.270   0.695
 8311TIP3    H131242  -3.698  -3.209   0.720
 8311TIP3    H231243  -3.562  -3.210   0.651
 8312TIP3   OH231244  -2.823  -4.015   0.305
 8312TIP3    H131245  -2.873  -4.058   0.376
 8312TIP3    H231246  -2.769  -3.952   0.355
 8313TIP3   OH231247  -3.958  -3.850   0.476
 8313TIP3    H131248  -3.893  -3.793   0.521
 8313TIP3    H231249  -3.902  -3.888   0.405
 8314TIP3   OH231250  -3.828  -3.083   0.768
 8314TIP3    H131251  -3.829  -2.992   0.735
 8314TIP3    H231252  -3.916  -3.088   0.809
 8315TIP3   OH231253  -4.183  -3.119  -0.142
 8315TIP3    H131254  -4.264  -3.101  -0.194
 8315TIP3    H231255  -4.192  -3.058  -0.067
 8316TIP3   OH231256  -2.852  -2.968   0.533
 8316TIP3    H131257  -2.948  -2.954   0.533
 8316TIP3    H231258  -2.821  -2.883   0.496
 8317TIP3   OH231259  -2.807  -4.111   0.702
 8317TIP3    H131260  -2.887  -4.076   0.660
 8317TIP3    H231261  -2.739  -4.096   0.634
 8318TIP3   OH231262  -3.496   4.381   0.415
 8318TIP3    H131263  -3.502   4.285   0.415
 8318TIP3    H231264  -3.586   4.412   0.437
 8319TIP3   OH231265  -3.020  -2.773   0.189
 8319TIP3    H131266  -2.972  -2.852   0.159
 8319TIP3    H231267  -2.951  -2.704   0.179
 8320TIP3   OH231268  -2.876  -2.987   0.052
 8320TIP3    H131269  -2.925  -3.034  -0.018
 8320TIP3    H231270  -2.881  -3.051   0.125
 8321TIP3   OH231271  -2.723  -3.105   0.901
 8321TIP3    H131272  -2.731  -3.169   0.827
 8321TIP3    H231273  -2.709  -3.022   0.853
 8322TIP3   OH231274  -3.297  -3.415  -0.130
 8322TIP3    H131275  -3.361  -3.353  -0.169
 8322TIP3    H231276  -3.223  -3.409  -0.194
 8323TIP3   OH231277  -3.267  -3.596  -0.425
 8323TIP3    H131278  -3.198  -3.565  -0.363
 8323TIP3    H231279  -3.214  -3.653  -0.483
 8324TIP3   OH231280  -2.546  -3.487   0.699
 8324TIP3    H131281  -2.617  -3.421   0.702
 8324TIP3    H231282  -2.496  -3.458   0.620
 8325TIP3   OH231283  -2.944  -3.416  -0.022
 8325TIP3    H131284  -3.012  -3.393   0.046
 8325TIP3    H231285  -2.882  -3.470   0.030
 8326TIP3   OH231286  -2.961  -3.562   0.861
 8326TIP3    H131287  -2.954  -3.481   0.914
 8326TIP3    H231288  -3.024  -3.531   0.794
 8327TIP3   OH231289  -3.783  -3.337   0.155
 8327TIP3    H131290  -3.815  -3.381   0.074
 8327TIP3    H231291  -3.718  -3.401   0.188
 8328TIP3   OH231292  -3.649  -2.999   0.430
 8328TIP3    H131293  -3.657  -3.035   0.341
 8328TIP3    H231294  -3.568  -3.044   0.462
 8329TIP3   OH231295  -3.728  -3.454   0.503
 8329TIP3    H131296  -3.670  -3.453   0.425
 8329TIP3    H231297  -3.686  -3.389   0.563
 8330TIP3   OH231298  -3.135  -2.904   0.562
 8330TIP3    H131299  -3.129  -2.837   0.632
 8330TIP3    H231300  -3.154  -2.986   0.610
 8331TIP3   OH231301  -3.642  -3.026   0.988
 8331TIP3    H131302  -3.694  -2.958   1.036
 8331TIP3    H231303  -3.706  -3.051   0.918
 8332TIP3   OH231304  -3.049  -3.471  -0.276
 8332TIP3    H131305  -3.001  -3.443  -0.195
 8332TIP3    H231306  -2.999  -3.420  -0.345
 8333TIP3   OH231307  -3.956  -3.390   0.904
 8333TIP3    H131308  -3.947  -3.329   0.979
 8333TIP3    H231309  -4.053  -3.393   0.893
 8334TIP3   OH231310  -3.305  -2.810   0.081
 8334TIP3    H131311  -3.254  -2.781   0.158
 8334TIP3    H231312  -3.353  -2.730   0.054
 8335TIP3   OH231313  -3.836  -2.808   1.072
 8335TIP3    H131314  -3.842  -2.803   0.975
 8335TIP3    H231315  -3.927  -2.827   1.099
 8336TIP3   OH231316  -2.728  -4.325  -0.353
 8336TIP3    H131317  -2.771  -4.322  -0.267
 8336TIP3    H231318  -2.652  -4.268  -0.336
 8337TIP3   OH231319  -3.893  -3.464  -0.092
 8337TIP3    H131320  -3.916  -3.387  -0.147
 8337TIP3    H231321  -3.962  -3.527  -0.116
 8338TIP3   OH231322  -2.566  -2.878  -0.471
 8338TIP3    H131323  -2.548  -2.785  -0.447
 8338TIP3    H231324  -2.479  -2.920  -0.452
 8339TIP3   OH231325  -4.267  -3.180   0.761
 8339TIP3    H131326  -4.287  -3.215   0.672
 8339TIP3    H231327  -4.306  -3.250   0.817
 8340TIP3   OH231328  -4.281  -2.900   0.458
 8340TIP3    H131329  -4.197  -2.944   0.476
 8340TIP3    H231330  -4.298  -2.853   0.540
 8341TIP3   OH231331  -2.441  -2.842   1.056
 8341TIP3    H131332  -2.452  -2.936   1.032
 8341TIP3    H231333  -2.533  -2.818   1.080
 8342TIP3   OH231334  -3.378  -2.920   0.932
 8342TIP3    H131335  -3.370  -2.837   0.983
 8342TIP3    H231336  -3.468  -2.949   0.955
 8343TIP3   OH231337  -3.354  -2.537  -0.072
 8343TIP3    H131338  -3.346  -2.528  -0.168
 8343TIP3    H231339  -3.343  -2.446  -0.040
 8344TIP3   OH231340  -3.979  -2.623   0.093
 8344TIP3    H131341  -3.953  -2.666   0.177
 8344TIP3    H231342  -4.055  -2.678   0.070
 8345TIP3   OH231343  -3.020  -2.596  -0.353
 8345TIP3    H131344  -2.961  -2.661  -0.397
 8345TIP3    H231345  -3.024  -2.634  -0.263
 8346TIP3   OH231346  -3.081  -2.653  -0.074
 8346TIP3    H131347  -3.175  -2.642  -0.056
 8346TIP3    H231348  -3.059  -2.723  -0.009
 8347TIP3   OH231349  -2.763  -3.708   1.092
 8347TIP3    H131350  -2.812  -3.668   1.019
 8347TIP3    H231351  -2.755  -3.800   1.063
 8348TIP3   OH231352  -4.072  -3.040   0.910
 8348TIP3    H131353  -4.042  -3.099   0.982
 8348TIP3    H231354  -4.147  -3.090   0.870
 8349TIP3   OH231355  -3.753  -4.223   0.498
 8349TIP3    H131356  -3.839  -4.230   0.454
 8349TIP3    H231357  -3.763  -4.136   0.540
 8350TIP3   OH231358  -3.290  -4.263   0.854
 8350TIP3    H131359  -3.270  -4.308   0.936
 8350TIP3    H231360  -3.385  -4.277   0.846
 8351TIP3   OH231361  -2.996  -3.864   0.894
 8351TIP3    H131362  -3.050  -3.875   0.974
 8351TIP3    H231363  -2.998  -3.768   0.878
 8352TIP3   OH231364  -2.895  -3.363  -0.476
 8352TIP3    H131365  -2.914  -3.380  -0.571
 8352TIP3    H231366  -2.801  -3.337  -0.481
 8353TIP3   OH231367  -3.329  -3.993  -0.431
 8353TIP3    H131368  -3.383  -4.004  -0.350
 8353TIP3    H231369  -3.378  -4.054  -0.490
 8354TIP3   OH231370  -3.761  -3.714   0.623
 8354TIP3    H131371  -3.821  -3.703   0.699
 8354TIP3    H231372  -3.754  -3.624   0.587
 8355TIP3   OH231373  -3.770  -3.710   0.113
 8355TIP3    H131374  -3.865  -3.716   0.094
 8355TIP3    H231375  -3.733  -3.727   0.024
 8356TIP3   OH231376  -3.206  -3.652  -0.012
 8356TIP3    H131377  -3.247  -3.569  -0.044
 8356TIP3    H231378  -3.138  -3.667  -0.079
 8357TIP3   OH231379  -3.287  -3.631   1.123
 8357TIP3    H131380  -3.338  -3.707   1.160
 8357TIP3    H231381  -3.200  -3.644   1.165
 8358TIP3   OH231382  -3.122  -3.711   0.267
 8358TIP3    H131383  -3.150  -3.653   0.194
 8358TIP3    H231384  -3.100  -3.792   0.216
 8359TIP3   OH231385  -4.026  -3.697   0.807
 8359TIP3    H131386  -3.995  -3.663   0.891
 8359TIP3    H231387  -4.052  -3.788   0.830
 8360TIP3   OH231388  -3.690  -3.940  -0.535
 8360TIP3    H131389  -3.723  -3.978  -0.451
 8360TIP3    H231390  -3.770  -3.928  -0.587
 8361TIP3   OH231391  -4.317  -3.938   0.169
 8361TIP3    H131392  -4.305  -3.970   0.261
 8361TIP3    H231393  -4.293  -4.016   0.117
 8362TIP3   OH231394  -4.207  -3.896  -0.245
 8362TIP3    H131395  -4.150  -3.865  -0.318
 8362TIP3    H231396  -4.291  -3.854  -0.266
 8363TIP3   OH231397  -3.213  -3.544   0.712
 8363TIP3    H131398  -3.168  -3.616   0.662
 8363TIP3    H231399  -3.242  -3.590   0.791
 8364TIP3   OH231400  -3.490  -3.941   0.211
 8364TIP3    H131401  -3.583  -3.961   0.231
 8364TIP3    H231402  -3.446  -3.971   0.292
 8365TIP3   OH231403  -4.039  -3.821   0.076
 8365TIP3    H131404  -4.116  -3.811   0.018
 8365TIP3    H231405  -4.002  -3.905   0.044
 8366TIP3   OH231406  -3.671  -3.791  -0.149
 8366TIP3    H131407  -3.574  -3.786  -0.144
 8366TIP3    H231408  -3.694  -3.730  -0.221
 8367TIP3   OH231409  -3.056  -4.033   0.515
 8367TIP3    H131410  -3.119  -4.035   0.590
 8367TIP3    H231411  -3.115  -4.063   0.444
 8368TIP3   OH231412  -3.825  -3.667  -0.374
 8368TIP3    H131413  -3.882  -3.698  -0.446
 8368TIP3    H231414  -3.743  -3.648  -0.422
 8369TIP3   OH231415  -2.751  -2.455   1.182
 8369TIP3    H131416  -2.728  -2.411   1.098
 8369TIP3    H231417  -2.678  -2.425   1.240
 8370TIP3   OH231418  -3.953  -3.196   1.124
 8370TIP3    H131419  -3.890  -3.192   1.199
 8370TIP3    H231420  -4.037  -3.185   1.174
 8371TIP3   OH231421  -3.389  -3.694   0.397
 8371TIP3    H131422  -3.316  -3.736   0.349
 8371TIP3    H231423  -3.404  -3.757   0.470
 8372TIP3   OH231424  -3.880  -4.060   0.021
 8372TIP3    H131425  -3.923  -4.146   0.033
 8372TIP3    H231426  -3.794  -4.085  -0.018
 8373TIP3   OH231427  -3.493  -3.851   0.623
 8373TIP3    H131428  -3.567  -3.788   0.622
 8373TIP3    H231429  -3.443  -3.823   0.702
 8374TIP3   OH231430  -3.479  -3.208  -0.190
 8374TIP3    H131431  -3.555  -3.260  -0.224
 8374TIP3    H231432  -3.497  -3.204  -0.093
 8375TIP3   OH231433  -2.756  -3.293   0.685
 8375TIP3    H131434  -2.704  -3.240   0.620
 8375TIP3    H231435  -2.841  -3.304   0.637
 8376TIP3   OH231436  -3.061  -3.932  -0.427
 8376TIP3    H131437  -3.159  -3.938  -0.425
 8376TIP3    H231438  -3.041  -3.863  -0.361
 8377TIP3   OH231439  -3.316  -3.210   0.943
 8377TIP3    H131440  -3.342  -3.240   1.031
 8377TIP3    H231441  -3.343  -3.116   0.943
 8378TIP3   OH231442  -2.996  -3.749  -0.213
 8378TIP3    H131443  -2.909  -3.763  -0.169
 8378TIP3    H231444  -2.986  -3.660  -0.250
 8379TIP3   OH231445  -3.978  -3.280   0.380
 8379TIP3    H131446  -3.909  -3.286   0.311
 8379TIP3    H231447  -3.961  -3.360   0.432
 8380TIP3   OH231448  -3.238  -3.073  -0.297
 8380TIP3    H131449  -3.263  -2.987  -0.258
 8380TIP3    H231450  -3.314  -3.128  -0.269
 8381TIP3   OH231451  -4.240  -3.425   0.948
 8381TIP3    H131452  -4.230  -3.492   1.019
 8381TIP3    H231453  -4.287  -3.476   0.878
 8382TIP3   OH231454  -3.541  -3.494   1.118
 8382TIP3    H131455  -3.574  -3.517   1.030
 8382TIP3    H231456  -3.447  -3.520   1.109
 8383TIP3   OH231457  -3.088  -2.953   0.890
 8383TIP3    H131458  -3.184  -2.941   0.884
 8383TIP3    H231459  -3.070  -2.924   0.981
 8384TIP3   OH231460  -2.535  -3.745  -0.232
 8384TIP3    H131461  -2.591  -3.764  -0.310
 8384TIP3    H231462  -2.523  -3.649  -0.246
 8385TIP3   OH231463  -2.489  -3.141   1.048
 8385TIP3    H131464  -2.583  -3.119   1.028
 8385TIP3    H231465  -2.455  -3.160   0.959
 8386TIP3   OH231466  -2.721  -2.886  -0.228
 8386TIP3    H131467  -2.733  -2.961  -0.168
 8386TIP3    H231468  -2.658  -2.919  -0.293
 8387TIP3   OH231469  -2.990  -3.350   0.516
 8387TIP3    H131470  -3.082  -3.365   0.490
 8387TIP3    H231471  -2.945  -3.422   0.466
 8388TIP3   OH231472  -3.728  -2.942   0.121
 8388TIP3    H131473  -3.685  -2.856   0.107
 8388TIP3    H231474  -3.819  -2.922   0.095
 8389TIP3   OH231475  -4.152  -3.444  -0.413
 8389TIP3    H131476  -4.080  -3.391  -0.374
 8389TIP3    H231477  -4.228  -3.388  -0.393
 8390TIP3   OH231478  -3.543  -3.173   0.080
 8390TIP3    H131479  -3.572  -3.082   0.096
 8390TIP3    H231480  -3.614  -3.223   0.123
 8391TIP3   OH231481  -3.526  -2.746   0.716
 8391TIP3    H131482  -3.470  -2.672   0.687
 8391TIP3    H231483  -3.464  -2.796   0.771
 8392TIP3   OH231484  -3.681  -2.652   0.041
 8392TIP3    H131485  -3.777  -2.637   0.048
 8392TIP3    H231486  -3.645  -2.565   0.064
 8393TIP3   OH231487  -3.186  -3.172   0.672
 8393TIP3    H131488  -3.213  -3.200   0.762
 8393TIP3    H231489  -3.111  -3.232   0.655
 8394TIP3   OH231490  -2.971  -3.043  -0.435
 8394TIP3    H131491  -2.925  -3.085  -0.361
 8394TIP3    H231492  -3.063  -3.057  -0.407
 8395TIP3   OH231493  -2.892  -2.714   0.913
 8395TIP3    H131494  -2.967  -2.758   0.869
 8395TIP3    H231495  -2.879  -2.635   0.858
 8396TIP3   OH231496  -2.490  -2.605  -0.376
 8396TIP3    H131497  -2.430  -2.545  -0.423
 8396TIP3    H231498  -2.571  -2.550  -0.376
 8397TIP3   OH231499  -4.107  -3.957   0.883
 8397TIP3    H131500  -4.196  -3.924   0.864
 8397TIP3    H231501  -4.124  -4.045   0.922
 8398TIP3   OH231502  -2.873  -3.180  -0.195
 8398TIP3    H131503  -2.898  -3.253  -0.136
 8398TIP3    H231504  -2.776  -3.182  -0.189
 8399TIP3   OH231505  -4.129  -2.799   0.726
 8399TIP3    H131506  -4.109  -2.893   0.735
 8399TIP3    H231507  -4.094  -2.766   0.809
 8400TIP3   OH231508  -3.547  -2.936  -0.578
 8400TIP3    H131509  -3.514  -3.014  -0.626
 8400TIP3    H231510  -3.586  -2.977  -0.500
 8401TIP3   OH231511  -3.664  -2.986  -0.304
 8401TIP3    H131512  -3.610  -3.039  -0.243
 8401TIP3    H231513  -3.647  -2.895  -0.273
 8402TIP3   OH231514  -3.987  -3.244  -0.272
 8402TIP3    H131515  -4.056  -3.203  -0.216
 8402TIP3    H231516  -3.936  -3.165  -0.295
 8403TIP3   OH231517  -3.217  -4.006   0.746
 8403TIP3    H131518  -3.151  -3.980   0.812
 8403TIP3    H231519  -3.249  -4.092   0.780
 8404TIP3   OH231520  -3.135  -4.057  -0.141
 8404TIP3    H131521  -3.129  -3.997  -0.216
 8404TIP3    H231522  -3.100  -4.002  -0.069
 8405TIP3   OH231523  -3.366  -2.823  -0.243
 8405TIP3    H131524  -3.447  -2.772  -0.226
 8405TIP3    H231525  -3.328  -2.776  -0.318
 8406TIP3   OH231526  -3.403  -3.852  -0.041
 8406TIP3    H131527  -3.329  -3.788  -0.028
 8406TIP3    H231528  -3.432  -3.867   0.051
 8407TIP3   OH231529  -3.372  -3.762   0.873
 8407TIP3    H131530  -3.361  -3.710   0.954
 8407TIP3    H231531  -3.312  -3.836   0.887
 8408TIP3   OH231532  -3.330  -4.174   0.059
 8408TIP3    H131533  -3.364  -4.099   0.111
 8408TIP3    H231534  -3.275  -4.128  -0.008
 8409TIP3   OH231535  -3.647  -2.715  -0.243
 8409TIP3    H131536  -3.652  -2.633  -0.297
 8409TIP3    H231537  -3.657  -2.681  -0.153
 8410TIP3   OH231538  -3.775  -4.050  -0.289
 8410TIP3    H131539  -3.772  -3.968  -0.238
 8410TIP3    H231540  -3.688  -4.088  -0.267
 8411TIP3   OH231541  -2.735  -3.963   0.956
 8411TIP3    H131542  -2.830  -3.952   0.938
 8411TIP3    H231543  -2.705  -3.987   0.867
 8412TIP3   OH231544  -2.889  -3.574   0.364
 8412TIP3    H131545  -2.970  -3.621   0.336
 8412TIP3    H231546  -2.839  -3.646   0.410
 8413TIP3   OH231547  -3.931  -2.957  -0.390
 8413TIP3    H131548  -3.855  -2.915  -0.348
 8413TIP3    H231549  -3.885  -3.013  -0.454
 8414TIP3   OH231550  -4.112  -3.746  -0.476
 8414TIP3    H131551  -4.106  -3.651  -0.454
 8414TIP3    H231552  -4.196  -3.754  -0.522
 8415TIP3   OH231553  -2.788  -2.688   0.503
 8415TIP3    H131554  -2.804  -2.607   0.451
 8415TIP3    H231555  -2.694  -2.675   0.525
 8416TIP3   OH231556  -4.076  -4.236   0.421
 8416TIP3    H131557  -4.060  -4.256   0.327
 8416TIP3    H231558  -4.110  -4.322   0.451
 8417TIP3   OH231559  -4.135  -2.877   0.029
 8417TIP3    H131560  -4.227  -2.848   0.032
 8417TIP3    H231561  -4.105  -2.841  -0.056
 8418TIP3   OH231562  -4.214  -2.605   1.148
 8418TIP3    H131563  -4.151  -2.604   1.222
 8418TIP3    H231564  -4.214  -2.701   1.133
 8419TIP3   OH231565  -3.727  -2.692   1.321
 8419TIP3    H131566  -3.657  -2.756   1.342
 8419TIP3    H231567  -3.750  -2.718   1.231
 8420TIP3   OH231568  -3.323  -2.766  -0.527
 8420TIP3    H131569  -3.397  -2.829  -0.538
 8420TIP3    H231570  -3.250  -2.818  -0.565
 8421TIP3   OH231571  -3.082  -2.863   1.181
 8421TIP3    H131572  -3.118  -2.947   1.216
 8421TIP3    H231573  -3.011  -2.842   1.243
 8422TIP3   OH231574  -2.861  -2.775  -0.517
 8422TIP3    H131575  -2.842  -2.854  -0.464
 8422TIP3    H231576  -2.782  -2.770  -0.574
 8423TIP3   OH231577  -4.200  -3.200   1.210
 8423TIP3    H131578  -4.189  -3.289   1.173
 8423TIP3    H231579  -4.287  -3.174   1.176
 8424TIP3   OH231580  -3.782  -3.195  -0.545
 8424TIP3    H131581  -3.762  -3.252  -0.468
 8424TIP3    H231582  -3.695  -3.195  -0.590
 8425TIP3   OH231583  -3.540  -3.216   1.190
 8425TIP3    H131584  -3.568  -3.183   1.103
 8425TIP3    H231585  -3.531  -3.312   1.174
 8426TIP3   OH231586  -3.261  -3.062  -0.582
 8426TIP3    H131587  -3.259  -3.065  -0.485
 8426TIP3    H231588  -3.262  -3.158  -0.602
 8427TIP3   OH231589  -3.002  -3.253   0.928
 8427TIP3    H131590  -2.922  -3.201   0.907
 8427TIP3    H231591  -3.070  -3.184   0.925
 8428TIP3   OH231592  -4.135  -3.532   1.188
 8428TIP3    H131593  -4.053  -3.584   1.175
 8428TIP3    H231594  -4.122  -3.498   1.278
 8429TIP3   OH231595  -3.675  -3.383  -0.312
 8429TIP3    H131596  -3.733  -3.436  -0.254
 8429TIP3    H231597  -3.642  -3.451  -0.374
 8430TIP3   OH231598  -3.751  -3.608   0.915
 8430TIP3    H131599  -3.805  -3.529   0.933
 8430TIP3    H231600  -3.684  -3.574   0.854
 8431TIP3   OH231601  -3.576  -3.583  -0.484
 8431TIP3    H131602  -3.579  -3.575  -0.582
 8431TIP3    H231603  -3.480  -3.588  -0.468
 8432TIP3   OH231604  -3.219  -3.337   1.271
 8432TIP3    H131605  -3.129  -3.356   1.239
 8432TIP3    H231606  -3.243  -3.422   1.311
 8433TIP3   OH231607  -2.626  -3.333  -0.552
 8433TIP3    H131608  -2.634  -3.373  -0.639
 8433TIP3    H231609  -2.633  -3.238  -0.575
 8434TIP3   OH231610  -3.694  -3.881   1.026
 8434TIP3    H131611  -3.682  -3.944   0.953
 8434TIP3    H231612  -3.711  -3.798   0.978
 8435TIP3   OH231613  -3.651  -4.038   0.768
 8435TIP3    H131614  -3.599  -3.981   0.708
 8435TIP3    H231615  -3.743  -4.026   0.735
 8436TIP3   OH231616  -3.502  -3.488   0.815
 8436TIP3    H131617  -3.418  -3.496   0.767
 8436TIP3    H231618  -3.532  -3.400   0.784
 8437TIP3   OH231619  -3.045  -3.693   1.293
 8437TIP3    H131620  -3.023  -3.787   1.307
 8437TIP3    H231621  -2.956  -3.654   1.287
 8438TIP3   OH231622  -2.948  -3.415   1.142
 8438TIP3    H131623  -2.982  -3.353   1.073
 8438TIP3    H231624  -2.858  -3.430   1.107
 8439TIP3   OH231625  -3.881  -3.691   1.207
 8439TIP3    H131626  -3.928  -3.777   1.206
 8439TIP3    H231627  -3.797  -3.716   1.164
 8440TIP3   OH231628  -3.607  -4.277   0.893
 8440TIP3    H131629  -3.591  -4.188   0.856
 8440TIP3    H231630  -3.699  -4.287   0.866
 8441TIP3   OH231631  -3.457  -3.844   1.186
 8441TIP3    H131632  -3.488  -3.871   1.274
 8441TIP3    H231633  -3.538  -3.863   1.134
 8442TIP3   OH231634  -3.197  -3.944   1.085
 8442TIP3    H131635  -3.286  -3.931   1.122
 8442TIP3    H231636  -3.159  -4.010   1.146
 8443TIP3   OH231637  -3.032  -4.135   1.251
 8443TIP3    H131638  -3.034  -4.223   1.291
 8443TIP3    H231639  -3.038  -4.076   1.328
 8444TIP3   OH231640  -4.002  -3.952   1.194
 8444TIP3    H131641  -4.023  -4.018   1.126
 8444TIP3    H231642  -4.040  -3.993   1.274
 8445TIP3   OH231643  -3.495  -4.148   1.298
 8445TIP3    H131644  -3.517  -4.229   1.249
 8445TIP3    H231645  -3.579  -4.099   1.300
 8446TIP3   OH231646  -3.600  -2.457  -0.374
 8446TIP3    H131647  -3.504  -2.450  -0.362
 8446TIP3    H231648  -3.611  -2.418  -0.461
 8447TIP3   OH231649  -4.199  -2.970  -0.466
 8447TIP3    H131650  -4.122  -2.975  -0.407
 8447TIP3    H231651  -4.217  -3.062  -0.486
 8448TIP3   OH231652  -4.275  -2.690   0.248
 8448TIP3    H131653  -4.276  -2.780   0.284
 8448TIP3    H231654  -4.241  -2.642   0.325
 8449TIP3   OH231655  -2.518  -2.575   0.553
 8449TIP3    H131656  -2.497  -2.571   0.647
 8449TIP3    H231657  -2.435  -2.541   0.515
 8450TIP3   OH231658  -2.530  -2.628   0.843
 8450TIP3    H131659  -2.575  -2.704   0.802
 8450TIP3    H231660  -2.467  -2.673   0.901
 8451TIP3   OH231661  -2.726  -3.086   1.270
 8451TIP3    H131662  -2.815  -3.077   1.309
 8451TIP3    H231663  -2.681  -3.004   1.298
 8452TIP3   OH231664  -2.587  -3.194  -0.158
 8452TIP3    H131665  -2.497  -3.160  -0.144
 8452TIP3    H231666  -2.592  -3.257  -0.084
 8453TIP3   OH231667  -2.536  -3.400   0.043
 8453TIP3    H131668  -2.605  -3.455   0.084
 8453TIP3    H231669  -2.469  -3.390   0.114
 8454TIP3   OH231670  -2.568  -3.150   0.536
 8454TIP3    H131671  -2.503  -3.199   0.483
 8454TIP3    H231672  -2.552  -3.059   0.508
 8455TIP3   OH231673  -2.696  -2.859   0.763
 8455TIP3    H131674  -2.769  -2.817   0.811
 8455TIP3    H231675  -2.741  -2.894   0.683
 8456TIP3   OH231676  -2.517  -3.456  -0.301
 8456TIP3    H131677  -2.566  -3.425  -0.380
 8456TIP3    H231678  -2.526  -3.379  -0.243
 8457TIP3   OH231679  -2.689  -3.698  -0.477
 8457TIP3    H131680  -2.660  -3.637  -0.546
 8457TIP3    H231681  -2.711  -3.778  -0.528
 8458TIP3   OH231682  -2.749  -3.583   0.120
 8458TIP3    H131683  -2.753  -3.678   0.104
 8458TIP3    H231684  -2.784  -3.575   0.211
 8459TIP3   OH231685  -4.256  -3.335   0.519
 8459TIP3    H131686  -4.222  -3.313   0.431
 8459TIP3    H231687  -4.176  -3.377   0.558
 8460TIP3   OH231688  -2.684  -3.394   1.044
 8460TIP3    H131689  -2.608  -3.455   1.047
 8460TIP3    H231690  -2.642  -3.312   1.015
 8461TIP3   OH231691  -2.522  -3.594   1.158
 8461TIP3    H131692  -2.606  -3.637   1.134
 8461TIP3    H231693  -2.460  -3.670   1.149
 8462TIP3   OH231694  -2.745  -3.970  -0.561
 8462TIP3    H131695  -2.685  -4.012  -0.496
 8462TIP3    H231696  -2.828  -4.019  -0.549
 8463TIP3   OH231697  -2.764  -3.827  -0.059
 8463TIP3    H131698  -2.746  -3.924  -0.054
 8463TIP3    H231699  -2.682  -3.796  -0.101
 8464TIP3   OH231700  -2.738  -3.774   0.480
 8464TIP3    H131701  -2.640  -3.764   0.475
 8464TIP3    H231702  -2.749  -3.776   0.577
 8465TIP3   OH231703  -2.723  -3.708   0.767
 8465TIP3    H131704  -2.806  -3.662   0.790
 8465TIP3    H231705  -2.664  -3.633   0.745
 8466TIP3   OH231706  -4.282  -3.838   1.145
 8466TIP3    H131707  -4.200  -3.880   1.116
 8466TIP3    H231708  -4.347  -3.910   1.145
 8467TIP3   OH231709  -2.462  -4.294   1.315
 8467TIP3    H131710  -2.403  -4.363   1.280
 8467TIP3    H231711  -2.476  -4.232   1.241
 8468TIP3   OH231712  -2.734  -4.098  -0.052
 8468TIP3    H131713  -2.709  -4.148   0.028
 8468TIP3    H231714  -2.796  -4.160  -0.094
 8469TIP3   OH231715  -4.194  -3.989   0.437
 8469TIP3    H131716  -4.160  -4.081   0.443
 8469TIP3    H231717  -4.114  -3.938   0.457
 8470TIP3   OH231718  -4.333  -3.727   0.527
 8470TIP3    H131719  -4.294  -3.779   0.455
 8470TIP3    H231720  -4.313  -3.637   0.498
 8471TIP3   OH231721  -2.535  -4.102   1.128
 8471TIP3    H131722  -2.623  -4.061   1.123
 8471TIP3    H231723  -2.529  -4.140   1.040
 8472TIP3   OH231724  -2.521  -4.058  -0.391
 8472TIP3    H131725  -2.501  -4.142  -0.436
 8472TIP3    H231726  -2.435  -4.014  -0.388
 8473TIP3   OH231727  -4.316  -4.108  -0.116
 8473TIP3    H131728  -4.398  -4.079  -0.157
 8473TIP3    H231729  -4.254  -4.040  -0.152
 8474TIP3   OH231730  -2.828  -2.568   0.133
 8474TIP3    H131731  -2.781  -2.592   0.051
 8474TIP3    H231732  -2.757  -2.527   0.184
 8475TIP3   OH231733  -4.292  -4.164   0.719
 8475TIP3    H131734  -4.350  -4.225   0.769
 8475TIP3    H231735  -4.328  -4.167   0.630
 8476TIP3   OH231736  -4.120  -2.861   1.182
 8476TIP3    H131737  -4.168  -2.926   1.130
 8476TIP3    H231738  -4.134  -2.896   1.273
 8477TIP3   OH231739  -3.802  -2.796   0.774
 8477TIP3    H131740  -3.832  -2.713   0.734
 8477TIP3    H231741  -3.706  -2.788   0.756
 8478TIP3   OH231742  -3.353  -2.667   1.073
 8478TIP3    H131743  -3.335  -2.684   1.167
 8478TIP3    H231744  -3.270  -2.622   1.046
 8479TIP3   OH231745  -3.125  -2.523   0.997
 8479TIP3    H131746  -3.054  -2.584   0.972
 8479TIP3    H231747  -3.092  -2.490   1.083
 8480TIP3   OH231748  -2.677  -4.282   0.919
 8480TIP3    H131749  -2.710  -4.210   0.863
 8480TIP3    H231750  -2.663  -4.351   0.852
 8481TIP3   OH231751  -4.070  -2.492   0.798
 8481TIP3    H131752  -4.137  -2.441   0.749
 8481TIP3    H231753  -4.102  -2.485   0.888
 8482TIP3   OH231754  -3.819  -2.526   0.661
 8482TIP3    H131755  -3.905  -2.506   0.702
 8482TIP3    H231756  -3.813  -2.458   0.591
 8483TIP3   OH231757  -3.343  -2.526   0.617
 8483TIP3    H131758  -3.377  -2.480   0.538
 8483TIP3    H231759  -3.331  -2.451   0.678
 8484TIP3   OH231760  -3.109  -2.655   0.709
 8484TIP3    H131761  -3.192  -2.617   0.675
 8484TIP3    H231762  -3.049  -2.578   0.705
 8485TIP3   OH231763  -2.859  -2.482   0.725
 8485TIP3    H131764  -2.859  -2.386   0.705
 8485TIP3    H231765  -2.826  -2.517   0.641
 8486TIP3   OH231766  -4.124  -2.615   0.495
 8486TIP3    H131767  -4.133  -2.662   0.581
 8486TIP3    H231768  -4.049  -2.664   0.456
 8487TIP3   OH231769  -3.911  -2.743   0.347
 8487TIP3    H131770  -3.926  -2.836   0.372
 8487TIP3    H231771  -3.819  -2.728   0.378
 8488TIP3   OH231772  -3.632  -2.702   0.432
 8488TIP3    H131773  -3.612  -2.794   0.409
 8488TIP3    H231774  -3.622  -2.705   0.528
 8489TIP3   OH231775  -3.300  -4.112   0.361
 8489TIP3    H131776  -3.362  -4.182   0.389
 8489TIP3    H231777  -3.240  -4.161   0.303
 8490TIP3   OH231778  -2.772  -4.334   0.404
 8490TIP3    H131779  -2.712  -4.288   0.342
 8490TIP3    H231780  -2.859  -4.304   0.375
 8491TIP3   OH231781  -2.575  -4.227   0.188
 8491TIP3    H131782  -2.522  -4.242   0.109
 8491TIP3    H231783  -2.556  -4.132   0.205
 8492TIP3   OH231784  -4.073  -4.281   0.095
 8492TIP3    H131785  -4.160  -4.314   0.069
 8492TIP3    H231786  -4.029  -4.361   0.125
 8493TIP3   OH231787  -4.205  -4.300  -0.300
 8493TIP3    H131788  -4.170  -4.233  -0.361
 8493TIP3    H231789  -4.259  -4.246  -0.240
 8494TIP3   OH231790  -3.614  -4.219   0.125
 8494TIP3    H131791  -3.522  -4.234   0.098
 8494TIP3    H231792  -3.635  -4.298   0.176
 8495TIP3   OH231793  -3.060  -4.265   0.256
 8495TIP3    H131794  -3.026  -4.261   0.166
 8495TIP3    H231795  -3.072  -4.359   0.271
 8496TIP3   OH231796  -2.950  -4.272  -0.148
 8496TIP3    H131797  -3.024  -4.212  -0.167
 8496TIP3    H231798  -2.991  -4.360  -0.152
 8497TIP3   OH231799  -4.189  -2.692  -0.198
 8497TIP3    H131800  -4.250  -2.711  -0.270
 8497TIP3    H231801  -4.182  -2.595  -0.202
 8498TIP3   OH231802  -4.008  -4.111  -0.444
 8498TIP3    H131803  -3.943  -4.158  -0.498
 8498TIP3    H231804  -3.951  -4.070  -0.377
 8499TIP3   OH231805  -3.492  -4.059  -0.210
 8499TIP3    H131806  -3.482  -4.143  -0.161
 8499TIP3    H231807  -3.470  -3.991  -0.143
 8500TIP3   OH231808  -3.296  -2.513  -0.366
 8500TIP3    H131809  -3.198  -2.511  -0.370
 8500TIP3    H231810  -3.314  -2.580  -0.435
 8501TIP3   OH231811  -2.648  -2.609  -0.103
 8501TIP3    H131812  -2.665  -2.692  -0.150
 8501TIP3    H231813  -2.638  -2.547  -0.177
 8502TIP3   OH231814  -4.110  -4.176   1.039
 8502TIP3    H131815  -4.159  -4.245   1.088
 8502TIP3    H231816  -4.027  -4.224   1.024
 8503TIP3   OH231817  -3.808  -4.277   1.299
 8503TIP3    H131818  -3.722  -4.303   1.259
 8503TIP3    H231819  -3.828  -4.355   1.352
 8504TIP3   OH231820  -4.012  -2.592  -0.500
 8504TIP3    H131821  -4.039  -2.576  -0.409
 8504TIP3    H231822  -3.941  -2.658  -0.488
 8505TIP3   OH231823  -2.697  -2.735   1.133
 8505TIP3    H131824  -2.768  -2.752   1.069
 8505TIP3    H231825  -2.710  -2.640   1.149
 8506TIP3   OH231826  -1.276  -3.367   0.144
 8506TIP3    H131827  -1.274  -3.270   0.154
 8506TIP3    H231828  -1.352  -3.378   0.086
 8507TIP3   OH231829  -1.383  -3.424   0.450
 8507TIP3    H131830  -1.395  -3.478   0.530
 8507TIP3    H231831  -1.417  -3.483   0.380
 8508TIP3   OH231832  -2.155  -3.474   0.643
 8508TIP3    H131833  -2.132  -3.561   0.680
 8508TIP3    H231834  -2.068  -3.432   0.642
 8509TIP3   OH231835  -1.018  -3.152   0.281
 8509TIP3    H131836  -1.059  -3.217   0.339
 8509TIP3    H231837  -0.995  -3.082   0.344
 8510TIP3   OH231838  -2.076  -3.005   0.472
 8510TIP3    H131839  -2.097  -3.097   0.449
 8510TIP3    H231840  -1.980  -3.012   0.486
 8511TIP3   OH231841  -2.382  -3.665   0.007
 8511TIP3    H131842  -2.415  -3.575   0.018
 8511TIP3    H231843  -2.456  -3.707  -0.040
 8512TIP3   OH231844  -2.290  -3.433   0.208
 8512TIP3    H131845  -2.267  -3.514   0.257
 8512TIP3    H231846  -2.209  -3.418   0.156
 8513TIP3   OH231847  -1.324  -2.624   0.336
 8513TIP3    H131848  -1.250  -2.682   0.310
 8513TIP3    H231849  -1.339  -2.650   0.428
 8514TIP3   OH231850  -1.541  -3.172   0.509
 8514TIP3    H131851  -1.508  -3.239   0.448
 8514TIP3    H231852  -1.458  -3.155   0.558
 8515TIP3   OH231853  -0.685  -4.018   0.565
 8515TIP3    H131854  -0.652  -3.972   0.643
 8515TIP3    H231855  -0.621  -3.989   0.498
 8516TIP3   OH231856  -1.214  -3.740   0.562
 8516TIP3    H131857  -1.192  -3.835   0.559
 8516TIP3    H231858  -1.219  -3.719   0.468
 8517TIP3   OH231859  -1.907  -3.944   0.286
 8517TIP3    H131860  -1.915  -3.849   0.268
 8517TIP3    H231861  -1.960  -3.982   0.214
 8518TIP3   OH231862  -1.125  -3.923   0.102
 8518TIP3    H131863  -1.063  -3.964   0.165
 8518TIP3    H231864  -1.065  -3.876   0.043
 8519TIP3   OH231865  -2.208  -3.681   0.340
 8519TIP3    H131866  -2.148  -3.731   0.397
 8519TIP3    H231867  -2.205  -3.733   0.258
 8520TIP3   OH231868  -1.711  -3.524   0.265
 8520TIP3    H131869  -1.640  -3.578   0.304
 8520TIP3    H231870  -1.760  -3.590   0.214
 8521TIP3   OH231871  -0.590  -3.847   0.831
 8521TIP3    H131872  -0.664  -3.795   0.795
 8521TIP3    H231873  -0.631  -3.890   0.907
 8522TIP3   OH231874  -1.289  -3.086   0.023
 8522TIP3    H131875  -1.310  -3.098  -0.070
 8522TIP3    H231876  -1.328  -2.999   0.042
 8523TIP3   OH231877  -1.738  -3.272   0.696
 8523TIP3    H131878  -1.813  -3.212   0.716
 8523TIP3    H231879  -1.678  -3.213   0.646
 8524TIP3   OH231880  -0.937  -4.016   0.306
 8524TIP3    H131881  -0.988  -4.057   0.377
 8524TIP3    H231882  -0.885  -3.951   0.355
 8525TIP3   OH231883  -1.943  -3.083   0.773
 8525TIP3    H131884  -1.943  -2.994   0.733
 8525TIP3    H231885  -2.030  -3.082   0.816
 8526TIP3   OH231886  -2.314  -3.111  -0.144
 8526TIP3    H131887  -2.327  -3.061  -0.226
 8526TIP3    H231888  -2.293  -3.041  -0.078
 8527TIP3   OH231889  -0.966  -2.966   0.534
 8527TIP3    H131890  -1.062  -2.953   0.533
 8527TIP3    H231891  -0.936  -2.882   0.495
 8528TIP3   OH231892  -0.923  -4.111   0.705
 8528TIP3    H131893  -1.003  -4.077   0.661
 8528TIP3    H231894  -0.855  -4.096   0.636
 8529TIP3   OH231895  -1.633   4.383   0.401
 8529TIP3    H131896  -1.627   4.291   0.429
 8529TIP3    H231897  -1.708   4.420   0.450
 8530TIP3   OH231898  -1.116  -2.772   0.204
 8530TIP3    H131899  -1.083  -2.845   0.149
 8530TIP3    H231900  -1.102  -2.695   0.148
 8531TIP3   OH231901  -0.986  -2.978   0.040
 8531TIP3    H131902  -1.030  -3.028  -0.030
 8531TIP3    H231903  -0.988  -3.041   0.114
 8532TIP3   OH231904  -0.835  -3.106   0.901
 8532TIP3    H131905  -0.846  -3.167   0.826
 8532TIP3    H231906  -0.826  -3.020   0.855
 8533TIP3   OH231907  -1.413  -3.417  -0.132
 8533TIP3    H131908  -1.477  -3.351  -0.166
 8533TIP3    H231909  -1.339  -3.406  -0.193
 8534TIP3   OH231910  -1.380  -3.598  -0.424
 8534TIP3    H131911  -1.313  -3.565  -0.362
 8534TIP3    H231912  -1.325  -3.652  -0.483
 8535TIP3   OH231913  -0.661  -3.488   0.695
 8535TIP3    H131914  -0.733  -3.422   0.701
 8535TIP3    H231915  -0.612  -3.454   0.617
 8536TIP3   OH231916  -1.060  -3.418  -0.022
 8536TIP3    H131917  -1.127  -3.391   0.045
 8536TIP3    H231918  -0.998  -3.470   0.032
 8537TIP3   OH231919  -1.078  -3.562   0.861
 8537TIP3    H131920  -1.069  -3.480   0.913
 8537TIP3    H231921  -1.140  -3.530   0.793
 8538TIP3   OH231922  -1.905  -3.340   0.160
 8538TIP3    H131923  -1.932  -3.381   0.075
 8538TIP3    H231924  -1.834  -3.400   0.189
 8539TIP3   OH231925  -1.768  -3.004   0.432
 8539TIP3    H131926  -1.773  -3.033   0.340
 8539TIP3    H231927  -1.684  -3.044   0.462
 8540TIP3   OH231928  -1.850  -3.480   0.514
 8540TIP3    H131929  -1.794  -3.474   0.435
 8540TIP3    H231930  -1.809  -3.417   0.575
 8541TIP3   OH231931  -1.247  -2.905   0.563
 8541TIP3    H131932  -1.244  -2.835   0.629
 8541TIP3    H231933  -1.267  -2.986   0.614
 8542TIP3   OH231934  -1.758  -3.028   0.994
 8542TIP3    H131935  -1.809  -2.956   1.034
 8542TIP3    H231936  -1.817  -3.054   0.920
 8543TIP3   OH231937  -1.161  -3.474  -0.276
 8543TIP3    H131938  -1.116  -3.442  -0.194
 8543TIP3    H231939  -1.113  -3.420  -0.344
 8544TIP3   OH231940  -2.040  -3.417   0.916
 8544TIP3    H131941  -2.042  -3.347   0.982
 8544TIP3    H231942  -2.130  -3.414   0.881
 8545TIP3   OH231943  -1.420  -2.814   0.088
 8545TIP3    H131944  -1.366  -2.773   0.157
 8545TIP3    H231945  -1.454  -2.737   0.041
 8546TIP3   OH231946  -1.944  -2.807   1.072
 8546TIP3    H131947  -1.952  -2.797   0.975
 8546TIP3    H231948  -2.034  -2.833   1.098
 8547TIP3   OH231949  -0.844  -4.323  -0.355
 8547TIP3    H131950  -0.885  -4.323  -0.267
 8547TIP3    H231951  -0.766  -4.268  -0.337
 8548TIP3   OH231952  -2.006  -3.463  -0.091
 8548TIP3    H131953  -2.026  -3.387  -0.148
 8548TIP3    H231954  -2.073  -3.527  -0.120
 8549TIP3   OH231955  -0.685  -2.844  -0.456
 8549TIP3    H131956  -0.663  -2.753  -0.435
 8549TIP3    H231957  -0.604  -2.892  -0.431
 8550TIP3   OH231958  -2.403  -3.195   0.783
 8550TIP3    H131959  -2.443  -3.196   0.694
 8550TIP3    H231960  -2.387  -3.290   0.798
 8551TIP3   OH231961  -2.396  -2.906   0.476
 8551TIP3    H131962  -2.303  -2.931   0.479
 8551TIP3    H231963  -2.399  -2.840   0.548
 8552TIP3   OH231964  -0.557  -2.842   1.056
 8552TIP3    H131965  -0.569  -2.935   1.033
 8552TIP3    H231966  -0.649  -2.817   1.081
 8553TIP3   OH231967  -1.491  -2.922   0.935
 8553TIP3    H131968  -1.485  -2.837   0.983
 8553TIP3    H231969  -1.583  -2.948   0.953
 8554TIP3   OH231970  -2.074  -2.631   0.088
 8554TIP3    H131971  -2.066  -2.667   0.178
 8554TIP3    H231972  -2.165  -2.654   0.065
 8555TIP3   OH231973  -0.879  -3.710   1.093
 8555TIP3    H131974  -0.927  -3.667   1.020
 8555TIP3    H231975  -0.871  -3.801   1.060
 8556TIP3   OH231976  -2.184  -3.040   0.909
 8556TIP3    H131977  -2.154  -3.092   0.986
 8556TIP3    H231978  -2.256  -3.094   0.873
 8557TIP3   OH231979  -1.876  -4.194   0.532
 8557TIP3    H131980  -1.952  -4.218   0.478
 8557TIP3    H231981  -1.896  -4.100   0.548
 8558TIP3   OH231982  -1.406  -4.264   0.854
 8558TIP3    H131983  -1.390  -4.310   0.937
 8558TIP3    H231984  -1.502  -4.275   0.844
 8559TIP3   OH231985  -1.110  -3.865   0.897
 8559TIP3    H131986  -1.166  -3.873   0.976
 8559TIP3    H231987  -1.112  -3.770   0.877
 8560TIP3   OH231988  -1.013  -3.364  -0.479
 8560TIP3    H131989  -1.026  -3.380  -0.574
 8560TIP3    H231990  -0.921  -3.331  -0.479
 8561TIP3   OH231991  -1.442  -3.995  -0.431
 8561TIP3    H131992  -1.498  -4.003  -0.350
 8561TIP3    H231993  -1.493  -4.055  -0.490
 8562TIP3   OH231994  -1.881  -3.704   0.112
 8562TIP3    H131995  -1.976  -3.718   0.099
 8562TIP3    H231996  -1.846  -3.730   0.025
 8563TIP3   OH231997  -1.323  -3.653  -0.013
 8563TIP3    H131998  -1.363  -3.569  -0.044
 8563TIP3    H231999  -1.254  -3.666  -0.080
 8564TIP3   OH232000  -1.408  -3.630   1.128
 8564TIP3    H132001  -1.456  -3.709   1.157
 8564TIP3    H232002  -1.319  -3.644   1.166
 8565TIP3   OH232003  -1.234  -3.712   0.268
 8565TIP3    H132004  -1.265  -3.652   0.197
 8565TIP3    H232005  -1.214  -3.791   0.214
 8566TIP3   OH232006  -1.804  -3.947  -0.535
 8566TIP3    H132007  -1.840  -3.980  -0.451
 8566TIP3    H232008  -1.883  -3.926  -0.586
 8567TIP3   OH232009  -2.460  -3.969   0.177
 8567TIP3    H132010  -2.398  -3.949   0.249
 8567TIP3    H232011  -2.402  -3.989   0.103
 8568TIP3   OH232012  -2.301  -3.912  -0.258
 8568TIP3    H132013  -2.246  -3.861  -0.321
 8568TIP3    H232014  -2.371  -3.846  -0.240
 8569TIP3   OH232015  -1.334  -3.543   0.714
 8569TIP3    H132016  -1.286  -3.613   0.663
 8569TIP3    H232017  -1.360  -3.591   0.794
 8570TIP3   OH232018  -1.628  -3.953   0.213
 8570TIP3    H132019  -1.722  -3.950   0.241
 8570TIP3    H232020  -1.583  -3.965   0.299
 8571TIP3   OH232021  -2.151  -3.826   0.084
 8571TIP3    H132022  -2.230  -3.794   0.037
 8571TIP3    H232023  -2.122  -3.904   0.033
 8572TIP3   OH232024  -1.785  -3.795  -0.152
 8572TIP3    H132025  -1.689  -3.782  -0.146
 8572TIP3    H232026  -1.811  -3.733  -0.222
 8573TIP3   OH232027  -1.171  -4.035   0.515
 8573TIP3    H132028  -1.235  -4.035   0.589
 8573TIP3    H232029  -1.229  -4.062   0.442
 8574TIP3   OH232030  -1.939  -3.674  -0.374
 8574TIP3    H132031  -1.996  -3.695  -0.450
 8574TIP3    H232032  -1.858  -3.647  -0.420
 8575TIP3   OH232033  -0.862  -2.460   1.181
 8575TIP3    H132034  -0.848  -2.409   1.099
 8575TIP3    H232035  -0.794  -2.422   1.239
 8576TIP3   OH232036  -2.072  -3.198   1.123
 8576TIP3    H132037  -2.006  -3.183   1.193
 8576TIP3    H232038  -2.154  -3.197   1.176
 8577TIP3   OH232039  -1.504  -3.697   0.395
 8577TIP3    H132040  -1.427  -3.740   0.355
 8577TIP3    H232041  -1.525  -3.756   0.469
 8578TIP3   OH232042  -1.988  -4.061   0.022
 8578TIP3    H132043  -2.028  -4.148   0.034
 8578TIP3    H232044  -1.902  -4.083  -0.016
 8579TIP3   OH232045  -1.641  -3.837   0.634
 8579TIP3    H132046  -1.719  -3.780   0.628
 8579TIP3    H232047  -1.591  -3.799   0.710
 8580TIP3   OH232048  -1.593  -3.209  -0.190
 8580TIP3    H132049  -1.671  -3.257  -0.225
 8580TIP3    H232050  -1.612  -3.203  -0.094
 8581TIP3   OH232051  -0.870  -3.295   0.684
 8581TIP3    H132052  -0.820  -3.239   0.621
 8581TIP3    H232053  -0.955  -3.305   0.638
 8582TIP3   OH232054  -1.174  -3.932  -0.427
 8582TIP3    H132055  -1.273  -3.937  -0.425
 8582TIP3    H232056  -1.155  -3.862  -0.361
 8583TIP3   OH232057  -1.432  -3.211   0.945
 8583TIP3    H132058  -1.457  -3.234   1.036
 8583TIP3    H232059  -1.456  -3.118   0.939
 8584TIP3   OH232060  -1.110  -3.750  -0.214
 8584TIP3    H132061  -1.023  -3.761  -0.170
 8584TIP3    H232062  -1.103  -3.658  -0.249
 8585TIP3   OH232063  -2.068  -3.287   0.403
 8585TIP3    H132064  -2.017  -3.288   0.320
 8585TIP3    H232065  -2.056  -3.378   0.433
 8586TIP3   OH232066  -1.352  -3.070  -0.293
 8586TIP3    H132067  -1.377  -2.980  -0.263
 8586TIP3    H232068  -1.431  -3.121  -0.268
 8587TIP3   OH232069  -2.363  -3.441   0.927
 8587TIP3    H132070  -2.337  -3.497   1.002
 8587TIP3    H232071  -2.411  -3.502   0.869
 8588TIP3   OH232072  -1.695  -3.541   1.086
 8588TIP3    H132073  -1.692  -3.514   0.991
 8588TIP3    H232074  -1.599  -3.536   1.103
 8589TIP3   OH232075  -1.203  -2.963   0.896
 8589TIP3    H132076  -1.297  -2.941   0.883
 8589TIP3    H232077  -1.184  -2.921   0.981
 8590TIP3   OH232078  -0.648  -3.745  -0.233
 8590TIP3    H132079  -0.705  -3.762  -0.310
 8590TIP3    H232080  -0.637  -3.648  -0.245
 8591TIP3   OH232081  -0.604  -3.144   1.048
 8591TIP3    H132082  -0.697  -3.119   1.028
 8591TIP3    H232083  -0.569  -3.158   0.957
 8592TIP3   OH232084  -1.106  -3.353   0.519
 8592TIP3    H132085  -1.198  -3.365   0.490
 8592TIP3    H232086  -1.061  -3.421   0.465
 8593TIP3   OH232087  -1.841  -2.937   0.120
 8593TIP3    H132088  -1.793  -2.854   0.104
 8593TIP3    H232089  -1.930  -2.913   0.090
 8594TIP3   OH232090  -2.241  -3.463  -0.419
 8594TIP3    H132091  -2.182  -3.395  -0.380
 8594TIP3    H232092  -2.328  -3.432  -0.389
 8595TIP3   OH232093  -1.659  -3.174   0.081
 8595TIP3    H132094  -1.681  -3.081   0.095
 8595TIP3    H232095  -1.732  -3.219   0.126
 8596TIP3   OH232096  -1.640  -2.747   0.718
 8596TIP3    H132097  -1.589  -2.671   0.683
 8596TIP3    H232098  -1.572  -2.793   0.769
 8597TIP3   OH232099  -1.793  -2.643   0.032
 8597TIP3    H132100  -1.889  -2.628   0.042
 8597TIP3    H232101  -1.755  -2.565   0.075
 8598TIP3   OH232102  -1.299  -3.173   0.673
 8598TIP3    H132103  -1.327  -3.200   0.762
 8598TIP3    H232104  -1.225  -3.233   0.654
 8599TIP3   OH232105  -1.082  -3.025  -0.440
 8599TIP3    H132106  -1.035  -3.068  -0.367
 8599TIP3    H232107  -1.173  -3.040  -0.410
 8600TIP3   OH232108  -1.006  -2.715   0.911
 8600TIP3    H132109  -1.081  -2.754   0.864
 8600TIP3    H232110  -0.991  -2.634   0.859
 8601TIP3   OH232111  -0.989  -3.179  -0.201
 8601TIP3    H132112  -1.008  -3.250  -0.138
 8601TIP3    H232113  -0.893  -3.168  -0.193
 8602TIP3   OH232114  -2.249  -2.802   0.722
 8602TIP3    H132115  -2.213  -2.891   0.736
 8602TIP3    H232116  -2.219  -2.758   0.803
 8603TIP3   OH232117  -1.655  -2.930  -0.595
 8603TIP3    H132118  -1.624  -3.017  -0.625
 8603TIP3    H232119  -1.699  -2.951  -0.511
 8604TIP3   OH232120  -1.779  -2.975  -0.295
 8604TIP3    H132121  -1.719  -3.025  -0.238
 8604TIP3    H232122  -1.753  -2.882  -0.276
 8605TIP3   OH232123  -2.092  -3.242  -0.267
 8605TIP3    H132124  -2.163  -3.201  -0.213
 8605TIP3    H232125  -2.044  -3.162  -0.296
 8606TIP3   OH232126  -1.334  -4.006   0.744
 8606TIP3    H132127  -1.266  -3.981   0.809
 8606TIP3    H232128  -1.367  -4.091   0.777
 8607TIP3   OH232129  -1.248  -4.058  -0.141
 8607TIP3    H132130  -1.245  -3.998  -0.217
 8607TIP3    H232131  -1.215  -4.001  -0.070
 8608TIP3   OH232132  -1.481  -2.813  -0.240
 8608TIP3    H132133  -1.559  -2.755  -0.234
 8608TIP3    H232134  -1.434  -2.771  -0.314
 8609TIP3   OH232135  -1.514  -3.858  -0.037
 8609TIP3    H132136  -1.445  -3.790  -0.025
 8609TIP3    H232137  -1.551  -3.865   0.053
 8610TIP3   OH232138  -1.496  -3.763   0.874
 8610TIP3    H132139  -1.472  -3.709   0.951
 8610TIP3    H232140  -1.429  -3.833   0.875
 8611TIP3   OH232141  -1.449  -4.171   0.059
 8611TIP3    H132142  -1.481  -4.095   0.110
 8611TIP3    H232143  -1.392  -4.127  -0.007
 8612TIP3   OH232144  -1.748  -2.691  -0.260
 8612TIP3    H132145  -1.747  -2.606  -0.307
 8612TIP3    H232146  -1.773  -2.663  -0.170
 8613TIP3   OH232147  -1.893  -4.050  -0.286
 8613TIP3    H132148  -1.888  -3.966  -0.237
 8613TIP3    H232149  -1.805  -4.087  -0.265
 8614TIP3   OH232150  -0.846  -3.963   0.953
 8614TIP3    H132151  -0.943  -3.952   0.943
 8614TIP3    H232152  -0.824  -3.988   0.862
 8615TIP3   OH232153  -1.004  -3.574   0.364
 8615TIP3    H132154  -1.086  -3.618   0.335
 8615TIP3    H232155  -0.955  -3.646   0.409
 8616TIP3   OH232156  -2.052  -2.967  -0.390
 8616TIP3    H132157  -1.984  -2.909  -0.350
 8616TIP3    H232158  -1.997  -3.011  -0.456
 8617TIP3   OH232159  -2.235  -3.746  -0.479
 8617TIP3    H132160  -2.219  -3.652  -0.457
 8617TIP3    H232161  -2.321  -3.741  -0.521
 8618TIP3   OH232162  -0.900  -2.685   0.506
 8618TIP3    H132163  -0.919  -2.609   0.448
 8618TIP3    H232164  -0.805  -2.669   0.523
 8619TIP3   OH232165  -2.218  -4.248   0.410
 8619TIP3    H132166  -2.177  -4.242   0.323
 8619TIP3    H232167  -2.196  -4.337   0.438
 8620TIP3   OH232168  -2.257  -2.891   0.022
 8620TIP3    H132169  -2.328  -2.833   0.050
 8620TIP3    H232170  -2.210  -2.834  -0.041
 8621TIP3   OH232171  -2.311  -2.599   1.144
 8621TIP3    H132172  -2.254  -2.627   1.218
 8621TIP3    H232173  -2.349  -2.683   1.113
 8622TIP3   OH232174  -1.814  -2.692   1.341
 8622TIP3    H132175  -1.763  -2.775   1.337
 8622TIP3    H232176  -1.855  -2.696   1.253
 8623TIP3   OH232177  -1.425  -2.776  -0.508
 8623TIP3    H132178  -1.505  -2.818  -0.546
 8623TIP3    H232179  -1.358  -2.795  -0.575
 8624TIP3   OH232180  -1.205  -2.853   1.190
 8624TIP3    H132181  -1.237  -2.940   1.219
 8624TIP3    H232182  -1.127  -2.839   1.246
 8625TIP3   OH232183  -2.316  -3.236   1.256
 8625TIP3    H132184  -2.304  -3.323   1.215
 8625TIP3    H232185  -2.392  -3.203   1.204
 8626TIP3   OH232186  -1.895  -3.195  -0.544
 8626TIP3    H132187  -1.876  -3.252  -0.467
 8626TIP3    H232188  -1.808  -3.191  -0.586
 8627TIP3   OH232189  -1.660  -3.221   1.190
 8627TIP3    H132190  -1.684  -3.180   1.105
 8627TIP3    H232191  -1.648  -3.314   1.166
 8628TIP3   OH232192  -1.369  -3.061  -0.591
 8628TIP3    H132193  -1.376  -3.052  -0.494
 8628TIP3    H232194  -1.375  -3.158  -0.601
 8629TIP3   OH232195  -1.116  -3.252   0.929
 8629TIP3    H132196  -1.037  -3.202   0.907
 8629TIP3    H232197  -1.183  -3.182   0.924
 8630TIP3   OH232198  -2.208  -3.526   1.173
 8630TIP3    H132199  -2.198  -3.621   1.181
 8630TIP3    H232200  -2.228  -3.500   1.264
 8631TIP3   OH232201  -1.788  -3.385  -0.311
 8631TIP3    H132202  -1.846  -3.437  -0.254
 8631TIP3    H232203  -1.756  -3.454  -0.374
 8632TIP3   OH232204  -1.692  -3.585  -0.485
 8632TIP3    H132205  -1.695  -3.573  -0.581
 8632TIP3    H232206  -1.595  -3.586  -0.469
 8633TIP3   OH232207  -1.334  -3.337   1.273
 8633TIP3    H132208  -1.245  -3.352   1.238
 8633TIP3    H232209  -1.354  -3.424   1.310
 8634TIP3   OH232210  -0.743  -3.328  -0.554
 8634TIP3    H132211  -0.752  -3.362  -0.644
 8634TIP3    H232212  -0.746  -3.232  -0.569
 8635TIP3   OH232213  -1.773  -4.032   0.801
 8635TIP3    H132214  -1.719  -3.977   0.741
 8635TIP3    H232215  -1.863  -4.006   0.770
 8636TIP3   OH232216  -1.620  -3.488   0.826
 8636TIP3    H132217  -1.542  -3.499   0.770
 8636TIP3    H232218  -1.661  -3.409   0.785
 8637TIP3   OH232219  -1.161  -3.693   1.295
 8637TIP3    H132220  -1.137  -3.786   1.304
 8637TIP3    H232221  -1.074  -3.651   1.286
 8638TIP3   OH232222  -1.062  -3.416   1.141
 8638TIP3    H132223  -1.096  -3.353   1.073
 8638TIP3    H232224  -0.971  -3.428   1.107
 8639TIP3   OH232225  -1.696  -4.293   0.869
 8639TIP3    H132226  -1.718  -4.198   0.853
 8639TIP3    H232227  -1.773  -4.336   0.828
 8640TIP3   OH232228  -1.593  -3.843   1.176
 8640TIP3    H132229  -1.609  -3.871   1.268
 8640TIP3    H232230  -1.651  -3.906   1.130
 8641TIP3   OH232231  -1.311  -3.940   1.091
 8641TIP3    H132232  -1.404  -3.936   1.120
 8641TIP3    H232233  -1.275  -4.009   1.149
 8642TIP3   OH232234  -1.143  -4.136   1.251
 8642TIP3    H132235  -1.154  -4.224   1.290
 8642TIP3    H232236  -1.154  -4.077   1.328
 8643TIP3   OH232237  -2.075  -3.942   1.176
 8643TIP3    H132238  -2.115  -4.008   1.116
 8643TIP3    H232239  -2.125  -3.961   1.257
 8644TIP3   OH232240  -1.614  -4.140   1.289
 8644TIP3    H132241  -1.626  -4.228   1.249
 8644TIP3    H232242  -1.705  -4.113   1.306
 8645TIP3   OH232243  -2.324  -3.020  -0.422
 8645TIP3    H132244  -2.228  -3.001  -0.406
 8645TIP3    H232245  -2.320  -3.099  -0.479
 8646TIP3   OH232246  -2.417  -2.499   0.057
 8646TIP3    H132247  -2.488  -2.536   0.002
 8646TIP3    H232248  -2.405  -2.568   0.125
 8647TIP3   OH232249  -2.386  -2.701   0.252
 8647TIP3    H132250  -2.413  -2.788   0.286
 8647TIP3    H232251  -2.347  -2.663   0.333
 8648TIP3   OH232252  -0.623  -2.592   0.553
 8648TIP3    H132253  -0.619  -2.564   0.646
 8648TIP3    H232254  -0.555  -2.534   0.516
 8649TIP3   OH232255  -0.645  -2.626   0.848
 8649TIP3    H132256  -0.689  -2.698   0.801
 8649TIP3    H232257  -0.585  -2.675   0.906
 8650TIP3   OH232258  -0.841  -3.085   1.272
 8650TIP3    H132259  -0.930  -3.074   1.310
 8650TIP3    H232260  -0.796  -3.003   1.296
 8651TIP3   OH232261  -0.697  -3.207  -0.163
 8651TIP3    H132262  -0.612  -3.162  -0.147
 8651TIP3    H232263  -0.705  -3.261  -0.083
 8652TIP3   OH232264  -0.653  -3.401   0.041
 8652TIP3    H132265  -0.721  -3.457   0.085
 8652TIP3    H232266  -0.586  -3.387   0.110
 8653TIP3   OH232267  -0.681  -3.150   0.540
 8653TIP3    H132268  -0.620  -3.195   0.480
 8653TIP3    H232269  -0.672  -3.057   0.510
 8654TIP3   OH232270  -0.811  -2.864   0.765
 8654TIP3    H132271  -0.882  -2.814   0.809
 8654TIP3    H232272  -0.855  -2.891   0.682
 8655TIP3   OH232273  -0.630  -3.454  -0.303
 8655TIP3    H132274  -0.680  -3.423  -0.381
 8655TIP3    H232275  -0.644  -3.378  -0.243
 8656TIP3   OH232276  -0.801  -3.701  -0.476
 8656TIP3    H132277  -0.776  -3.635  -0.543
 8656TIP3    H232278  -0.825  -3.778  -0.530
 8657TIP3   OH232279  -0.858  -3.585   0.123
 8657TIP3    H132280  -0.870  -3.680   0.104
 8657TIP3    H232281  -0.899  -3.576   0.211
 8658TIP3   OH232282  -2.373  -3.363   0.495
 8658TIP3    H132283  -2.345  -3.363   0.401
 8658TIP3    H232284  -2.289  -3.388   0.539
 8659TIP3   OH232285  -0.801  -3.393   1.038
 8659TIP3    H132286  -0.725  -3.452   1.052
 8659TIP3    H232287  -0.759  -3.309   1.014
 8660TIP3   OH232288  -0.645  -3.585   1.160
 8660TIP3    H132289  -0.724  -3.637   1.135
 8660TIP3    H232290  -0.575  -3.652   1.156
 8661TIP3   OH232291  -0.859  -3.972  -0.563
 8661TIP3    H132292  -0.800  -4.012  -0.496
 8661TIP3    H232293  -0.942  -4.018  -0.548
 8662TIP3   OH232294  -0.878  -3.827  -0.058
 8662TIP3    H132295  -0.860  -3.924  -0.054
 8662TIP3    H232296  -0.797  -3.795  -0.101
 8663TIP3   OH232297  -0.853  -3.776   0.479
 8663TIP3    H132298  -0.755  -3.767   0.476
 8663TIP3    H232299  -0.866  -3.774   0.576
 8664TIP3   OH232300  -0.838  -3.705   0.767
 8664TIP3    H132301  -0.922  -3.661   0.790
 8664TIP3    H232302  -0.782  -3.628   0.743
 8665TIP3   OH232303  -2.377  -3.838   1.146
 8665TIP3    H132304  -2.289  -3.869   1.122
 8665TIP3    H232305  -2.429  -3.920   1.134
 8666TIP3   OH232306  -0.621  -4.276   1.343
 8666TIP3    H132307  -0.569  -4.355   1.320
 8666TIP3    H232308  -0.619  -4.218   1.263
 8667TIP3   OH232309  -0.847  -4.099  -0.052
 8667TIP3    H132310  -0.824  -4.148   0.028
 8667TIP3    H232311  -0.910  -4.160  -0.095
 8668TIP3   OH232312  -2.280  -3.978   0.416
 8668TIP3    H132313  -2.259  -4.073   0.424
 8668TIP3    H232314  -2.220  -3.941   0.483
 8669TIP3   OH232315  -2.458  -3.718   0.499
 8669TIP3    H132316  -2.385  -3.740   0.440
 8669TIP3    H232317  -2.415  -3.657   0.559
 8670TIP3   OH232318  -0.642  -4.112   1.127
 8670TIP3    H132319  -0.728  -4.064   1.133
 8670TIP3    H232320  -0.650  -4.146   1.036
 8671TIP3   OH232321  -0.636  -4.058  -0.391
 8671TIP3    H132322  -0.615  -4.142  -0.436
 8671TIP3    H232323  -0.551  -4.013  -0.387
 8672TIP3   OH232324  -2.400  -4.106  -0.084
 8672TIP3    H132325  -2.495  -4.092  -0.098
 8672TIP3    H232326  -2.360  -4.034  -0.138
 8673TIP3   OH232327  -0.857  -2.564   0.061
 8673TIP3    H132328  -0.888  -2.654   0.059
 8673TIP3    H232329  -0.894  -2.528   0.143
 8674TIP3   OH232330  -2.459  -4.142   0.777
 8674TIP3    H132331  -2.409  -4.221   0.803
 8674TIP3    H232332  -2.434  -4.134   0.684
 8675TIP3   OH232333  -2.201  -2.903   1.208
 8675TIP3    H132334  -2.269  -2.900   1.140
 8675TIP3    H232335  -2.253  -2.896   1.289
 8676TIP3   OH232336  -1.917  -2.795   0.775
 8676TIP3    H132337  -1.947  -2.711   0.735
 8676TIP3    H232338  -1.822  -2.787   0.754
 8677TIP3   OH232339  -1.468  -2.664   1.080
 8677TIP3    H132340  -1.440  -2.687   1.170
 8677TIP3    H232341  -1.385  -2.624   1.046
 8678TIP3   OH232342  -1.237  -2.539   1.006
 8678TIP3    H132343  -1.160  -2.591   0.978
 8678TIP3    H232344  -1.202  -2.494   1.086
 8679TIP3   OH232345  -0.780  -4.278   0.917
 8679TIP3    H132346  -0.828  -4.213   0.862
 8679TIP3    H232347  -0.763  -4.346   0.850
 8680TIP3   OH232348  -2.183  -2.506   0.808
 8680TIP3    H132349  -2.238  -2.441   0.760
 8680TIP3    H232350  -2.213  -2.490   0.898
 8681TIP3   OH232351  -1.933  -2.528   0.656
 8681TIP3    H132352  -2.015  -2.502   0.701
 8681TIP3    H232353  -1.924  -2.459   0.588
 8682TIP3   OH232354  -1.466  -2.529   0.613
 8682TIP3    H132355  -1.493  -2.480   0.532
 8682TIP3    H232356  -1.452  -2.455   0.675
 8683TIP3   OH232357  -1.226  -2.654   0.708
 8683TIP3    H132358  -1.309  -2.616   0.674
 8683TIP3    H232359  -1.168  -2.577   0.705
 8684TIP3   OH232360  -0.969  -2.483   0.727
 8684TIP3    H132361  -0.977  -2.388   0.707
 8684TIP3    H232362  -0.942  -2.517   0.639
 8685TIP3   OH232363  -2.225  -2.626   0.497
 8685TIP3    H132364  -2.222  -2.671   0.584
 8685TIP3    H232365  -2.145  -2.664   0.455
 8686TIP3   OH232366  -2.022  -2.747   0.346
 8686TIP3    H132367  -2.032  -2.841   0.370
 8686TIP3    H232368  -1.929  -2.729   0.373
 8687TIP3   OH232369  -1.754  -2.706   0.431
 8687TIP3    H132370  -1.723  -2.796   0.411
 8687TIP3    H232371  -1.738  -2.702   0.526
 8688TIP3   OH232372  -1.414  -4.109   0.362
 8688TIP3    H132373  -1.480  -4.176   0.386
 8688TIP3    H232374  -1.357  -4.158   0.300
 8689TIP3   OH232375  -0.888  -4.333   0.404
 8689TIP3    H132376  -0.826  -4.289   0.343
 8689TIP3    H232377  -0.973  -4.301   0.373
 8690TIP3   OH232378  -0.691  -4.225   0.188
 8690TIP3    H132379  -0.635  -4.244   0.112
 8690TIP3    H232380  -0.672  -4.130   0.203
 8691TIP3   OH232381  -2.179  -4.284   0.093
 8691TIP3    H132382  -2.271  -4.296   0.067
 8691TIP3    H232383  -2.153  -4.372   0.120
 8692TIP3   OH232384  -2.321  -4.291  -0.283
 8692TIP3    H132385  -2.274  -4.243  -0.354
 8692TIP3    H232386  -2.356  -4.216  -0.231
 8693TIP3   OH232387  -1.735  -4.261   0.119
 8693TIP3    H132388  -1.646  -4.231   0.097
 8693TIP3    H232389  -1.726  -4.283   0.212
 8694TIP3   OH232390  -1.176  -4.265   0.255
 8694TIP3    H132391  -1.140  -4.258   0.166
 8694TIP3    H232392  -1.185  -4.360   0.269
 8695TIP3   OH232393  -1.064  -4.273  -0.146
 8695TIP3    H132394  -1.138  -4.211  -0.167
 8695TIP3    H232395  -1.106  -4.359  -0.155
 8696TIP3   OH232396  -2.276  -2.689  -0.170
 8696TIP3    H132397  -2.332  -2.691  -0.249
 8696TIP3    H232398  -2.264  -2.594  -0.158
 8697TIP3   OH232399  -2.129  -4.129  -0.438
 8697TIP3    H132400  -2.057  -4.160  -0.497
 8697TIP3    H232401  -2.077  -4.075  -0.375
 8698TIP3   OH232402  -1.606  -4.063  -0.209
 8698TIP3    H132403  -1.598  -4.142  -0.154
 8698TIP3    H232404  -1.587  -3.990  -0.147
 8699TIP3   OH232405  -2.235  -4.161   1.074
 8699TIP3    H132406  -2.288  -4.240   1.087
 8699TIP3    H232407  -2.157  -4.202   1.033
 8700TIP3   OH232408  -1.926  -4.287   1.300
 8700TIP3    H132409  -1.843  -4.320   1.260
 8700TIP3    H232410  -1.965  -4.367   1.337
 8701TIP3   OH232411  -0.814  -2.737   1.136
 8701TIP3    H132412  -0.883  -2.752   1.069
 8701TIP3    H232413  -0.824  -2.641   1.150
 8702TIP3   OH232414   0.611  -3.368   0.142
 8702TIP3    H132415   0.607  -3.272   0.152
 8702TIP3    H232416   0.536  -3.385   0.083
 8703TIP3   OH232417   0.498  -3.422   0.451
 8703TIP3    H132418   0.495  -3.480   0.528
 8703TIP3    H232419   0.472  -3.483   0.380
 8704TIP3   OH232420  -0.256  -3.464   0.618
 8704TIP3    H132421  -0.257  -3.538   0.682
 8704TIP3    H232422  -0.184  -3.410   0.653
 8705TIP3   OH232423   0.869  -3.145   0.286
 8705TIP3    H132424   0.829  -3.216   0.339
 8705TIP3    H232425   0.890  -3.079   0.352
 8706TIP3   OH232426  -0.189  -2.999   0.469
 8706TIP3    H132427  -0.215  -3.090   0.443
 8706TIP3    H232428  -0.096  -3.013   0.491
 8707TIP3   OH232429  -0.493  -3.663   0.009
 8707TIP3    H132430  -0.528  -3.573   0.016
 8707TIP3    H232431  -0.566  -3.708  -0.036
 8708TIP3   OH232432  -0.410  -3.414   0.195
 8708TIP3    H132433  -0.394  -3.498   0.242
 8708TIP3    H232434  -0.328  -3.405   0.144
 8709TIP3   OH232435   0.571  -2.616   0.337
 8709TIP3    H132436   0.631  -2.690   0.318
 8709TIP3    H232437   0.542  -2.635   0.427
 8710TIP3   OH232438   0.345  -3.171   0.508
 8710TIP3    H132439   0.376  -3.243   0.450
 8710TIP3    H232440   0.426  -3.158   0.560
 8711TIP3   OH232441   1.201  -4.018   0.566
 8711TIP3    H132442   1.235  -3.971   0.644
 8711TIP3    H232443   1.264  -3.988   0.498
 8712TIP3   OH232444   0.673  -3.740   0.557
 8712TIP3    H132445   0.690  -3.836   0.554
 8712TIP3    H232446   0.660  -3.721   0.463
 8713TIP3   OH232447  -0.012  -3.943   0.273
 8713TIP3    H132448   0.031  -3.865   0.232
 8713TIP3    H232449  -0.038  -3.991   0.192
 8714TIP3   OH232450   0.764  -3.924   0.111
 8714TIP3    H132451   0.834  -3.960   0.168
 8714TIP3    H232452   0.815  -3.881   0.041
 8715TIP3   OH232453  -0.360  -3.666   0.318
 8715TIP3    H132454  -0.294  -3.713   0.373
 8715TIP3    H232455  -0.350  -3.712   0.233
 8716TIP3   OH232456   0.177  -3.525   0.265
 8716TIP3    H132457   0.250  -3.580   0.299
 8716TIP3    H232458   0.129  -3.590   0.210
 8717TIP3   OH232459   1.294  -3.849   0.828
 8717TIP3    H132460   1.219  -3.797   0.796
 8717TIP3    H232461   1.257  -3.889   0.908
 8718TIP3   OH232462  -0.150  -4.055   0.683
 8718TIP3    H132463  -0.179  -3.999   0.609
 8718TIP3    H232464  -0.218  -4.032   0.750
 8719TIP3   OH232465   0.603  -3.081   0.024
 8719TIP3    H132466   0.571  -3.108  -0.062
 8719TIP3    H232467   0.556  -2.997   0.039
 8720TIP3   OH232468   0.146  -3.269   0.696
 8720TIP3    H132469   0.072  -3.210   0.721
 8720TIP3    H232470   0.207  -3.208   0.651
 8721TIP3   OH232471   0.952  -4.023   0.310
 8721TIP3    H132472   0.892  -4.051   0.380
 8721TIP3    H232473   1.001  -3.952   0.355
 8722TIP3   OH232474  -0.177  -3.863   0.471
 8722TIP3    H132475  -0.115  -3.800   0.514
 8722TIP3    H232476  -0.119  -3.894   0.397
 8723TIP3   OH232477  -0.056  -3.082   0.768
 8723TIP3    H132478  -0.059  -2.990   0.736
 8723TIP3    H232479  -0.143  -3.086   0.812
 8724TIP3   OH232480  -0.424  -3.110  -0.146
 8724TIP3    H132481  -0.445  -3.066  -0.230
 8724TIP3    H232482  -0.410  -3.036  -0.084
 8725TIP3   OH232483   0.928  -2.927   0.509
 8725TIP3    H132484   0.832  -2.947   0.515
 8725TIP3    H232485   0.924  -2.833   0.521
 8726TIP3   OH232486   0.961  -4.112   0.704
 8726TIP3    H132487   0.882  -4.076   0.662
 8726TIP3    H232488   1.029  -4.095   0.635
 8727TIP3   OH232489   0.272   4.358   0.399
 8727TIP3    H132490   0.249   4.275   0.443
 8727TIP3    H232491   0.201   4.417   0.433
 8728TIP3   OH232492   0.765  -2.777   0.210
 8728TIP3    H132493   0.796  -2.855   0.160
 8728TIP3    H232494   0.807  -2.705   0.161
 8729TIP3   OH232495   0.896  -2.987   0.054
 8729TIP3    H132496   0.848  -3.034  -0.016
 8729TIP3    H232497   0.889  -3.052   0.126
 8730TIP3   OH232498   1.051  -3.102   0.900
 8730TIP3    H132499   1.039  -3.168   0.829
 8730TIP3    H232500   1.067  -3.020   0.850
 8731TIP3   OH232501   0.477  -3.419  -0.123
 8731TIP3    H132502   0.412  -3.357  -0.162
 8731TIP3    H232503   0.549  -3.417  -0.187
 8732TIP3   OH232504   0.503  -3.595  -0.426
 8732TIP3    H132505   0.572  -3.564  -0.364
 8732TIP3    H232506   0.557  -3.651  -0.484
 8733TIP3   OH232507   1.225  -3.488   0.694
 8733TIP3    H132508   1.153  -3.423   0.703
 8733TIP3    H232509   1.273  -3.454   0.616
 8734TIP3   OH232510   0.829  -3.412  -0.023
 8734TIP3    H132511   0.758  -3.393   0.043
 8734TIP3    H232512   0.885  -3.472   0.030
 8735TIP3   OH232513   0.812  -3.562   0.862
 8735TIP3    H132514   0.816  -3.480   0.913
 8735TIP3    H232515   0.745  -3.534   0.796
 8736TIP3   OH232516  -0.013  -3.337   0.156
 8736TIP3    H132517  -0.045  -3.379   0.073
 8736TIP3    H232518   0.050  -3.403   0.188
 8737TIP3   OH232519   0.124  -2.996   0.428
 8737TIP3    H132520   0.111  -3.037   0.342
 8737TIP3    H232521   0.203  -3.044   0.461
 8738TIP3   OH232522   0.046  -3.460   0.507
 8738TIP3    H132523   0.100  -3.457   0.426
 8738TIP3    H232524   0.086  -3.389   0.562
 8739TIP3   OH232525   0.657  -2.908   0.564
 8739TIP3    H132526   0.639  -2.838   0.629
 8739TIP3    H232527   0.620  -2.988   0.608
 8740TIP3   OH232528   0.128  -3.027   0.990
 8740TIP3    H132529   0.078  -2.957   1.036
 8740TIP3    H232530   0.065  -3.051   0.919
 8741TIP3   OH232531   0.723  -3.470  -0.277
 8741TIP3    H132532   0.770  -3.444  -0.195
 8741TIP3    H232533   0.772  -3.419  -0.345
 8742TIP3   OH232534  -0.176  -3.388   0.903
 8742TIP3    H132535  -0.171  -3.326   0.978
 8742TIP3    H232536  -0.272  -3.396   0.891
 8743TIP3   OH232537   0.476  -2.813   0.083
 8743TIP3    H132538   0.519  -2.781   0.163
 8743TIP3    H232539   0.416  -2.742   0.059
 8744TIP3   OH232540  -0.059  -2.809   1.069
 8744TIP3    H132541  -0.071  -2.801   0.972
 8744TIP3    H232542  -0.148  -2.832   1.100
 8745TIP3   OH232543   1.048  -4.331  -0.352
 8745TIP3    H132544   0.990  -4.320  -0.275
 8745TIP3    H232545   1.119  -4.268  -0.331
 8746TIP3   OH232546  -0.123  -3.459  -0.091
 8746TIP3    H132547  -0.143  -3.382  -0.149
 8746TIP3    H232548  -0.188  -3.524  -0.122
 8747TIP3   OH232549   1.203  -2.877  -0.466
 8747TIP3    H132550   1.222  -2.782  -0.453
 8747TIP3    H232551   1.291  -2.917  -0.449
 8748TIP3   OH232552  -0.514  -3.196   0.782
 8748TIP3    H132553  -0.559  -3.193   0.695
 8748TIP3    H232554  -0.503  -3.292   0.796
 8749TIP3   OH232555  -0.510  -2.905   0.474
 8749TIP3    H132556  -0.417  -2.928   0.482
 8749TIP3    H232557  -0.520  -2.837   0.542
 8750TIP3   OH232558   1.328  -2.840   1.050
 8750TIP3    H132559   1.317  -2.935   1.033
 8750TIP3    H232560   1.237  -2.815   1.077
 8751TIP3   OH232561   0.394  -2.920   0.932
 8751TIP3    H132562   0.402  -2.837   0.984
 8751TIP3    H232563   0.304  -2.948   0.955
 8752TIP3   OH232564  -0.195  -2.622   0.094
 8752TIP3    H132565  -0.188  -2.669   0.180
 8752TIP3    H232566  -0.278  -2.659   0.061
 8753TIP3   OH232567   0.754  -2.595  -0.309
 8753TIP3    H132568   0.811  -2.640  -0.375
 8753TIP3    H232569   0.752  -2.662  -0.241
 8754TIP3   OH232570   1.008  -3.709   1.091
 8754TIP3    H132571   0.957  -3.668   1.020
 8754TIP3    H232572   1.015  -3.801   1.061
 8755TIP3   OH232573  -0.296  -3.041   0.905
 8755TIP3    H132574  -0.270  -3.088   0.987
 8755TIP3    H232575  -0.370  -3.095   0.872
 8756TIP3   OH232576   0.029  -4.220   0.494
 8756TIP3    H132577  -0.056  -4.246   0.457
 8756TIP3    H232578   0.007  -4.133   0.532
 8757TIP3   OH232579   0.479  -4.266   0.852
 8757TIP3    H132580   0.500  -4.309   0.936
 8757TIP3    H232581   0.383  -4.275   0.848
 8758TIP3   OH232582   0.779  -3.864   0.897
 8758TIP3    H132583   0.719  -3.874   0.974
 8758TIP3    H232584   0.773  -3.768   0.878
 8759TIP3   OH232585   0.879  -3.360  -0.475
 8759TIP3    H132586   0.857  -3.378  -0.568
 8759TIP3    H232587   0.973  -3.336  -0.483
 8760TIP3   OH232588   0.433  -3.998  -0.406
 8760TIP3    H132589   0.383  -4.006  -0.324
 8760TIP3    H232590   0.384  -4.059  -0.465
 8761TIP3   OH232591   0.007  -3.716   0.624
 8761TIP3    H132592  -0.057  -3.703   0.696
 8761TIP3    H232593   0.015  -3.625   0.587
 8762TIP3   OH232594   0.009  -3.703   0.111
 8762TIP3    H132595  -0.086  -3.720   0.096
 8762TIP3    H232596   0.046  -3.730   0.025
 8763TIP3   OH232597   0.544  -3.663  -0.005
 8763TIP3    H132598   0.499  -3.588  -0.047
 8763TIP3    H232599   0.599  -3.697  -0.077
 8764TIP3   OH232600   0.485  -3.632   1.123
 8764TIP3    H132601   0.433  -3.706   1.160
 8764TIP3    H232602   0.571  -3.644   1.166
 8765TIP3   OH232603   0.654  -3.703   0.254
 8765TIP3    H132604   0.613  -3.652   0.181
 8765TIP3    H232605   0.665  -3.788   0.206
 8766TIP3   OH232606  -0.252  -3.698   0.805
 8766TIP3    H132607  -0.227  -3.667   0.892
 8766TIP3    H232608  -0.293  -3.784   0.826
 8767TIP3   OH232609   0.081  -3.945  -0.537
 8767TIP3    H132610   0.050  -3.979  -0.451
 8767TIP3    H232611  -0.002  -3.930  -0.586
 8768TIP3   OH232612  -0.577  -3.965   0.173
 8768TIP3    H132613  -0.519  -3.954   0.250
 8768TIP3    H232614  -0.516  -3.989   0.102
 8769TIP3   OH232615  -0.416  -3.911  -0.258
 8769TIP3    H132616  -0.360  -3.860  -0.320
 8769TIP3    H232617  -0.486  -3.845  -0.240
 8770TIP3   OH232618   0.563  -3.544   0.714
 8770TIP3    H132619   0.604  -3.616   0.661
 8770TIP3    H232620   0.526  -3.592   0.789
 8771TIP3   OH232621  -0.266  -3.830   0.088
 8771TIP3    H132622  -0.342  -3.798   0.035
 8771TIP3    H232623  -0.234  -3.907   0.039
 8772TIP3   OH232624   0.111  -3.792  -0.155
 8772TIP3    H132625   0.206  -3.792  -0.135
 8772TIP3    H232626   0.099  -3.719  -0.218
 8773TIP3   OH232627   0.711  -4.038   0.509
 8773TIP3    H132628   0.650  -4.036   0.586
 8773TIP3    H232629   0.644  -4.060   0.440
 8774TIP3   OH232630  -0.055  -3.673  -0.372
 8774TIP3    H132631  -0.111  -3.696  -0.447
 8774TIP3    H232632   0.029  -3.652  -0.416
 8775TIP3   OH232633   1.018  -2.452   1.182
 8775TIP3    H132634   1.041  -2.412   1.096
 8775TIP3    H232635   1.092  -2.421   1.237
 8776TIP3   OH232636  -0.190  -3.198   1.124
 8776TIP3    H132637  -0.122  -3.186   1.194
 8776TIP3    H232638  -0.270  -3.192   1.180
 8777TIP3   OH232639   0.386  -3.696   0.400
 8777TIP3    H132640   0.438  -3.747   0.336
 8777TIP3    H232641   0.367  -3.764   0.468
 8778TIP3   OH232642  -0.102  -4.063   0.019
 8778TIP3    H132643  -0.144  -4.150   0.023
 8778TIP3    H232644  -0.020  -4.078  -0.030
 8779TIP3   OH232645   0.276  -3.853   0.628
 8779TIP3    H132646   0.204  -3.789   0.618
 8779TIP3    H232647   0.326  -3.819   0.705
 8780TIP3   OH232648   0.297  -3.213  -0.187
 8780TIP3    H132649   0.221  -3.262  -0.225
 8780TIP3    H232650   0.274  -3.209  -0.092
 8781TIP3   OH232651   1.015  -3.292   0.686
 8781TIP3    H132652   1.065  -3.242   0.618
 8781TIP3    H232653   0.930  -3.308   0.640
 8782TIP3   OH232654   0.701  -3.925  -0.429
 8782TIP3    H132655   0.604  -3.937  -0.417
 8782TIP3    H232656   0.724  -3.866  -0.354
 8783TIP3   OH232657   0.458  -3.208   0.943
 8783TIP3    H132658   0.428  -3.239   1.029
 8783TIP3    H232659   0.428  -3.115   0.942
 8784TIP3   OH232660   0.772  -3.749  -0.209
 8784TIP3    H132661   0.858  -3.761  -0.165
 8784TIP3    H232662   0.780  -3.658  -0.244
 8785TIP3   OH232663  -0.190  -3.270   0.394
 8785TIP3    H132664  -0.138  -3.280   0.313
 8785TIP3    H232665  -0.182  -3.358   0.435
 8786TIP3   OH232666   0.533  -3.073  -0.297
 8786TIP3    H132667   0.507  -2.989  -0.254
 8786TIP3    H232668   0.460  -3.132  -0.270
 8787TIP3   OH232669  -0.468  -3.444   0.920
 8787TIP3    H132670  -0.451  -3.490   1.005
 8787TIP3    H232671  -0.527  -3.505   0.873
 8788TIP3   OH232672   0.230  -3.495   1.119
 8788TIP3    H132673   0.194  -3.517   1.031
 8788TIP3    H232674   0.324  -3.519   1.107
 8789TIP3   OH232675   0.685  -2.951   0.891
 8789TIP3    H132676   0.589  -2.940   0.885
 8789TIP3    H232677   0.702  -2.922   0.982
 8790TIP3   OH232678   1.238  -3.746  -0.233
 8790TIP3    H132679   1.181  -3.764  -0.310
 8790TIP3    H232680   1.249  -3.650  -0.246
 8791TIP3   OH232681   1.282  -3.141   1.048
 8791TIP3    H132682   1.188  -3.118   1.030
 8791TIP3    H232683   1.315  -3.158   0.958
 8792TIP3   OH232684   1.058  -2.883  -0.219
 8792TIP3    H132685   1.038  -2.965  -0.173
 8792TIP3    H232686   1.107  -2.913  -0.297
 8793TIP3   OH232687   0.783  -3.350   0.515
 8793TIP3    H132688   0.689  -3.364   0.491
 8793TIP3    H232689   0.825  -3.423   0.465
 8794TIP3   OH232690   0.045  -2.941   0.115
 8794TIP3    H132691   0.086  -2.854   0.105
 8794TIP3    H232692  -0.047  -2.923   0.094
 8795TIP3   OH232693  -0.356  -3.463  -0.418
 8795TIP3    H132694  -0.299  -3.394  -0.381
 8795TIP3    H232695  -0.443  -3.434  -0.388
 8796TIP3   OH232696   0.228  -3.171   0.083
 8796TIP3    H132697   0.193  -3.081   0.095
 8796TIP3    H232698   0.158  -3.224   0.124
 8797TIP3   OH232699   0.248  -2.746   0.713
 8797TIP3    H132700   0.301  -2.667   0.692
 8797TIP3    H232701   0.307  -2.791   0.775
 8798TIP3   OH232702   0.096  -2.632   0.040
 8798TIP3    H132703  -0.001  -2.636   0.048
 8798TIP3    H232704   0.119  -2.562   0.101
 8799TIP3   OH232705   0.586  -3.172   0.674
 8799TIP3    H132706   0.555  -3.198   0.762
 8799TIP3    H232707   0.658  -3.235   0.658
 8800TIP3   OH232708   0.805  -3.036  -0.434
 8800TIP3    H132709   0.845  -3.086  -0.360
 8800TIP3    H232710   0.711  -3.054  -0.414
 8801TIP3   OH232711   0.883  -2.714   0.909
 8801TIP3    H132712   0.799  -2.750   0.878
 8801TIP3    H232713   0.891  -2.632   0.857
 8802TIP3   OH232714   1.278  -2.600  -0.390
 8802TIP3    H132715   1.349  -2.534  -0.398
 8802TIP3    H232716   1.201  -2.540  -0.384
 8803TIP3   OH232717  -0.334  -3.961   0.879
 8803TIP3    H132718  -0.426  -3.941   0.848
 8803TIP3    H232719  -0.351  -4.048   0.922
 8804TIP3   OH232720   0.900  -3.177  -0.194
 8804TIP3    H132721   0.871  -3.252  -0.139
 8804TIP3    H232722   0.997  -3.184  -0.188
 8805TIP3   OH232723  -0.357  -2.802   0.720
 8805TIP3    H132724  -0.329  -2.893   0.738
 8805TIP3    H232725  -0.338  -2.760   0.804
 8806TIP3   OH232726   0.230  -2.936  -0.576
 8806TIP3    H132727   0.256  -3.016  -0.627
 8806TIP3    H232728   0.184  -2.976  -0.500
 8807TIP3   OH232729   0.121  -2.985  -0.311
 8807TIP3    H132730   0.160  -3.039  -0.241
 8807TIP3    H232731   0.125  -2.895  -0.275
 8808TIP3   OH232732  -0.203  -3.240  -0.264
 8808TIP3    H132733  -0.280  -3.203  -0.216
 8808TIP3    H232734  -0.164  -3.158  -0.300
 8809TIP3   OH232735   0.557  -4.007   0.744
 8809TIP3    H132736   0.621  -3.981   0.812
 8809TIP3    H232737   0.521  -4.091   0.778
 8810TIP3   OH232738   0.664  -4.071  -0.146
 8810TIP3    H132739   0.630  -4.009  -0.211
 8810TIP3    H232740   0.641  -4.026  -0.063
 8811TIP3   OH232741   0.408  -2.803  -0.234
 8811TIP3    H132742   0.315  -2.774  -0.233
 8811TIP3    H232743   0.435  -2.781  -0.324
 8812TIP3   OH232744   0.400  -3.761   0.873
 8812TIP3    H132745   0.411  -3.709   0.954
 8812TIP3    H232746   0.460  -3.835   0.888
 8813TIP3   OH232747   0.134  -2.716  -0.241
 8813TIP3    H132748   0.110  -2.644  -0.303
 8813TIP3    H232749   0.109  -2.676  -0.156
 8814TIP3   OH232750   0.021  -4.053  -0.282
 8814TIP3    H132751   0.023  -3.968  -0.234
 8814TIP3    H232752   0.107  -4.090  -0.255
 8815TIP3   OH232753   1.040  -3.963   0.953
 8815TIP3    H132754   0.943  -3.952   0.943
 8815TIP3    H232755   1.061  -3.987   0.862
 8816TIP3   OH232756   0.880  -3.573   0.364
 8816TIP3    H132757   0.799  -3.616   0.330
 8816TIP3    H232758   0.927  -3.648   0.408
 8817TIP3   OH232759  -0.162  -2.972  -0.386
 8817TIP3    H132760  -0.100  -2.903  -0.358
 8817TIP3    H232761  -0.109  -3.016  -0.454
 8818TIP3   OH232762  -0.348  -3.745  -0.480
 8818TIP3    H132763  -0.333  -3.651  -0.457
 8818TIP3    H232764  -0.436  -3.741  -0.520
 8819TIP3   OH232765  -0.338  -4.244   0.417
 8819TIP3    H132766  -0.297  -4.241   0.329
 8819TIP3    H232767  -0.311  -4.333   0.444
 8820TIP3   OH232768  -0.363  -2.875   0.022
 8820TIP3    H132769  -0.445  -2.829   0.040
 8820TIP3    H232770  -0.333  -2.831  -0.059
 8821TIP3   OH232771  -0.421  -2.599   1.140
 8821TIP3    H132772  -0.370  -2.625   1.219
 8821TIP3    H232773  -0.465  -2.682   1.115
 8822TIP3   OH232774   0.048  -2.692   1.324
 8822TIP3    H132775   0.115  -2.760   1.340
 8822TIP3    H232776   0.023  -2.714   1.232
 8823TIP3   OH232777   0.450  -2.769  -0.515
 8823TIP3    H132778   0.371  -2.824  -0.536
 8823TIP3    H232779   0.519  -2.818  -0.563
 8824TIP3   OH232780   0.694  -2.870   1.178
 8824TIP3    H132781   0.652  -2.948   1.218
 8824TIP3    H232782   0.759  -2.843   1.244
 8825TIP3   OH232783   0.906  -2.764  -0.507
 8825TIP3    H132784   0.919  -2.851  -0.464
 8825TIP3    H232785   0.983  -2.761  -0.568
 8826TIP3   OH232786  -0.432  -3.238   1.256
 8826TIP3    H132787  -0.421  -3.326   1.216
 8826TIP3    H232788  -0.507  -3.203   1.204
 8827TIP3   OH232789  -0.008  -3.194  -0.544
 8827TIP3    H132790   0.009  -3.251  -0.467
 8827TIP3    H232791   0.079  -3.197  -0.589
 8828TIP3   OH232792   0.233  -3.216   1.189
 8828TIP3    H132793   0.202  -3.181   1.104
 8828TIP3    H232794   0.239  -3.313   1.172
 8829TIP3   OH232795   0.518  -3.060  -0.583
 8829TIP3    H132796   0.509  -3.065  -0.486
 8829TIP3    H232797   0.512  -3.156  -0.605
 8830TIP3   OH232798   0.770  -3.254   0.928
 8830TIP3    H132799   0.847  -3.198   0.910
 8830TIP3    H232800   0.699  -3.188   0.927
 8831TIP3   OH232801  -0.345  -3.526   1.171
 8831TIP3    H132802  -0.268  -3.585   1.174
 8831TIP3    H232803  -0.349  -3.498   1.264
 8832TIP3   OH232804   0.103  -3.386  -0.308
 8832TIP3    H132805   0.038  -3.434  -0.255
 8832TIP3    H232806   0.130  -3.454  -0.373
 8833TIP3   OH232807   0.021  -3.608   0.918
 8833TIP3    H132808  -0.034  -3.529   0.933
 8833TIP3    H232809   0.084  -3.575   0.852
 8834TIP3   OH232810   0.195  -3.585  -0.484
 8834TIP3    H132811   0.191  -3.573  -0.581
 8834TIP3    H232812   0.291  -3.587  -0.470
 8835TIP3   OH232813   0.553  -3.338   1.272
 8835TIP3    H132814   0.642  -3.356   1.240
 8835TIP3    H232815   0.528  -3.423   1.310
 8836TIP3   OH232816   1.147  -3.331  -0.552
 8836TIP3    H132817   1.135  -3.373  -0.639
 8836TIP3    H232818   1.136  -3.237  -0.576
 8837TIP3   OH232819   0.080  -3.879   1.026
 8837TIP3    H132820   0.089  -3.943   0.953
 8837TIP3    H232821   0.061  -3.797   0.977
 8838TIP3   OH232822   0.119  -4.039   0.767
 8838TIP3    H132823   0.172  -3.981   0.709
 8838TIP3    H232824   0.028  -4.025   0.732
 8839TIP3   OH232825   0.271  -3.487   0.816
 8839TIP3    H132826   0.353  -3.494   0.765
 8839TIP3    H232827   0.237  -3.400   0.785
 8840TIP3   OH232828   0.726  -3.693   1.293
 8840TIP3    H132829   0.749  -3.787   1.307
 8840TIP3    H232830   0.814  -3.653   1.288
 8841TIP3   OH232831   0.824  -3.415   1.142
 8841TIP3    H132832   0.789  -3.354   1.074
 8841TIP3    H232833   0.914  -3.430   1.105
 8842TIP3   OH232834  -0.097  -3.698   1.214
 8842TIP3    H132835  -0.149  -3.780   1.208
 8842TIP3    H232836  -0.018  -3.721   1.163
 8843TIP3   OH232837   0.167  -4.278   0.885
 8843TIP3    H132838   0.180  -4.186   0.854
 8843TIP3    H232839   0.072  -4.285   0.868
 8844TIP3   OH232840   0.315  -3.846   1.186
 8844TIP3    H132841   0.281  -3.870   1.274
 8844TIP3    H232842   0.235  -3.862   1.133
 8845TIP3   OH232843   0.574  -3.945   1.084
 8845TIP3    H132844   0.485  -3.930   1.121
 8845TIP3    H232845   0.610  -4.010   1.147
 8846TIP3   OH232846   0.745  -4.137   1.252
 8846TIP3    H132847   0.732  -4.224   1.291
 8846TIP3    H232848   0.732  -4.077   1.328
 8847TIP3   OH232849  -0.216  -3.961   1.197
 8847TIP3    H132850  -0.245  -4.019   1.124
 8847TIP3    H232851  -0.266  -3.997   1.272
 8848TIP3   OH232852   0.276  -4.148   1.299
 8848TIP3    H132853   0.254  -4.228   1.250
 8848TIP3    H232854   0.192  -4.098   1.300
 8849TIP3   OH232855   0.167  -2.443  -0.366
 8849TIP3    H132856   0.263  -2.445  -0.369
 8849TIP3    H232857   0.146  -2.420  -0.458
 8850TIP3   OH232858  -0.447  -3.023  -0.412
 8850TIP3    H132859  -0.356  -2.986  -0.414
 8850TIP3    H232860  -0.443  -3.087  -0.485
 8851TIP3   OH232861  -0.560  -2.513   0.025
 8851TIP3    H132862  -0.652  -2.531  -0.000
 8851TIP3    H232863  -0.550  -2.572   0.101
 8852TIP3   OH232864  -0.497  -2.693   0.249
 8852TIP3    H132865  -0.528  -2.780   0.277
 8852TIP3    H232866  -0.474  -2.655   0.335
 8853TIP3   OH232867   1.244  -2.617   0.837
 8853TIP3    H132868   1.194  -2.688   0.795
 8853TIP3    H232869   1.303  -2.667   0.895
 8854TIP3   OH232870   1.046  -3.086   1.270
 8854TIP3    H132871   0.956  -3.077   1.307
 8854TIP3    H232872   1.090  -3.004   1.298
 8855TIP3   OH232873   1.184  -3.194  -0.157
 8855TIP3    H132874   1.275  -3.162  -0.143
 8855TIP3    H232875   1.177  -3.259  -0.084
 8856TIP3   OH232876   1.230  -3.397   0.040
 8856TIP3    H132877   1.164  -3.455   0.082
 8856TIP3    H232878   1.299  -3.388   0.109
 8857TIP3   OH232879   1.199  -3.147   0.537
 8857TIP3    H132880   1.259  -3.200   0.482
 8857TIP3    H232881   1.221  -3.057   0.510
 8858TIP3   OH232882   1.071  -2.845   0.747
 8858TIP3    H132883   1.003  -2.810   0.808
 8858TIP3    H232884   1.019  -2.901   0.687
 8859TIP3   OH232885   1.257  -3.454  -0.302
 8859TIP3    H132886   1.206  -3.426  -0.381
 8859TIP3    H232887   1.243  -3.378  -0.244
 8860TIP3   OH232888   1.087  -3.700  -0.477
 8860TIP3    H132889   1.110  -3.638  -0.548
 8860TIP3    H232890   1.059  -3.779  -0.526
 8861TIP3   OH232891   1.029  -3.585   0.123
 8861TIP3    H132892   1.016  -3.679   0.101
 8861TIP3    H232893   0.985  -3.578   0.210
 8862TIP3   OH232894  -0.491  -3.368   0.491
 8862TIP3    H132895  -0.467  -3.359   0.397
 8862TIP3    H232896  -0.403  -3.386   0.530
 8863TIP3   OH232897   1.086  -3.392   1.035
 8863TIP3    H132898   1.159  -3.455   1.052
 8863TIP3    H232899   1.133  -3.309   1.019
 8864TIP3   OH232900   1.240  -3.583   1.158
 8864TIP3    H132901   1.161  -3.637   1.134
 8864TIP3    H232902   1.310  -3.651   1.156
 8865TIP3   OH232903   1.026  -3.970  -0.561
 8865TIP3    H132904   1.084  -4.012  -0.495
 8865TIP3    H232905   0.943  -4.019  -0.551
 8866TIP3   OH232906   1.011  -3.826  -0.058
 8866TIP3    H132907   1.025  -3.923  -0.054
 8866TIP3    H232908   1.092  -3.798  -0.103
 8867TIP3   OH232909   1.033  -3.776   0.479
 8867TIP3    H132910   1.131  -3.767   0.477
 8867TIP3    H232911   1.019  -3.775   0.575
 8868TIP3   OH232912   1.048  -3.707   0.766
 8868TIP3    H132913   0.964  -3.664   0.791
 8868TIP3    H232914   1.104  -3.629   0.743
 8869TIP3   OH232915  -0.505  -3.837   1.148
 8869TIP3    H132916  -0.414  -3.858   1.123
 8869TIP3    H232917  -0.549  -3.923   1.140
 8870TIP3   OH232918   1.263  -4.278   1.342
 8870TIP3    H132919   1.318  -4.354   1.320
 8870TIP3    H232920   1.267  -4.218   1.264
 8871TIP3   OH232921   1.038  -4.098  -0.052
 8871TIP3    H132922   1.060  -4.150   0.026
 8871TIP3    H232923   0.978  -4.158  -0.100
 8872TIP3   OH232924  -0.429  -3.989   0.414
 8872TIP3    H132925  -0.399  -4.082   0.424
 8872TIP3    H232926  -0.350  -3.940   0.443
 8873TIP3   OH232927  -0.569  -3.728   0.515
 8873TIP3    H132928  -0.510  -3.733   0.439
 8873TIP3    H232929  -0.533  -3.651   0.562
 8874TIP3   OH232930   1.244  -4.111   1.127
 8874TIP3    H132931   1.159  -4.064   1.134
 8874TIP3    H232932   1.235  -4.147   1.036
 8875TIP3   OH232933   1.251  -4.059  -0.389
 8875TIP3    H132934   1.270  -4.143  -0.436
 8875TIP3    H232935   1.337  -4.014  -0.390
 8876TIP3   OH232936  -0.515  -4.107  -0.085
 8876TIP3    H132937  -0.610  -4.091  -0.098
 8876TIP3    H232938  -0.474  -4.035  -0.138
 8877TIP3   OH232939   0.929  -2.562   0.105
 8877TIP3    H132940   0.993  -2.593   0.038
 8877TIP3    H232941   0.985  -2.510   0.164
 8878TIP3   OH232942  -0.542  -4.127   0.776
 8878TIP3    H132943  -0.535  -4.221   0.799
 8878TIP3    H232944  -0.557  -4.131   0.681
 8879TIP3   OH232945  -0.317  -2.907   1.205
 8879TIP3    H132946  -0.388  -2.896   1.141
 8879TIP3    H232947  -0.361  -2.893   1.290
 8880TIP3   OH232948  -0.031  -2.796   0.769
 8880TIP3    H132949  -0.062  -2.709   0.740
 8880TIP3    H232950   0.064  -2.786   0.751
 8881TIP3   OH232951   0.407  -2.676   1.076
 8881TIP3    H132952   0.437  -2.685   1.168
 8881TIP3    H232953   0.481  -2.622   1.039
 8882TIP3   OH232954   0.621  -2.537   0.995
 8882TIP3    H132955   0.704  -2.567   0.958
 8882TIP3    H232956   0.649  -2.464   1.051
 8883TIP3   OH232957   1.106  -4.276   0.918
 8883TIP3    H132958   1.056  -4.215   0.861
 8883TIP3    H232959   1.130  -4.343   0.851
 8884TIP3   OH232960  -0.289  -2.500   0.806
 8884TIP3    H132961  -0.354  -2.445   0.757
 8884TIP3    H232962  -0.327  -2.496   0.895
 8885TIP3   OH232963  -0.029  -2.513   0.678
 8885TIP3    H132964  -0.113  -2.501   0.725
 8885TIP3    H232965  -0.041  -2.454   0.602
 8886TIP3   OH232966   0.427  -2.513   0.627
 8886TIP3    H132967   0.392  -2.462   0.552
 8886TIP3    H232968   0.442  -2.443   0.692
 8887TIP3   OH232969   0.667  -2.643   0.698
 8887TIP3    H132970   0.576  -2.610   0.682
 8887TIP3    H232971   0.712  -2.558   0.710
 8888TIP3   OH232972   0.934  -2.501   0.703
 8888TIP3    H132973   0.904  -2.408   0.714
 8888TIP3    H232974   0.951  -2.499   0.608
 8889TIP3   OH232975  -0.326  -2.618   0.501
 8889TIP3    H132976  -0.336  -2.669   0.584
 8889TIP3    H232977  -0.257  -2.670   0.455
 8890TIP3   OH232978  -0.132  -2.750   0.342
 8890TIP3    H132979  -0.151  -2.842   0.370
 8890TIP3    H232980  -0.042  -2.736   0.378
 8891TIP3   OH232981   0.140  -2.704   0.433
 8891TIP3    H132982   0.158  -2.798   0.414
 8891TIP3    H232983   0.152  -2.703   0.529
 8892TIP3   OH232984   0.492  -4.115   0.367
 8892TIP3    H132985   0.402  -4.149   0.369
 8892TIP3    H232986   0.521  -4.131   0.276
 8893TIP3   OH232987   1.002  -4.337   0.402
 8893TIP3    H132988   1.064  -4.290   0.343
 8893TIP3    H232989   0.918  -4.296   0.380
 8894TIP3   OH232990   1.198  -4.226   0.191
 8894TIP3    H132991   1.247  -4.245   0.110
 8894TIP3    H232992   1.213  -4.130   0.201
 8895TIP3   OH232993  -0.292  -4.285   0.091
 8895TIP3    H132994  -0.384  -4.302   0.072
 8895TIP3    H232995  -0.262  -4.369   0.129
 8896TIP3   OH232996  -0.433  -4.290  -0.284
 8896TIP3    H132997  -0.385  -4.240  -0.353
 8896TIP3    H232998  -0.470  -4.217  -0.231
 8897TIP3   OH232999   0.204  -4.294   0.122
 8897TIP3    H133000   0.228  -4.205   0.085
 8897TIP3    H233001   0.133  -4.267   0.182
 8898TIP3   OH233002   0.664  -4.304   0.221
 8898TIP3    H133003   0.730  -4.259   0.165
 8898TIP3    H233004   0.719  -4.357   0.279
 8899TIP3   OH233005   0.834  -4.282  -0.164
 8899TIP3    H133006   0.766  -4.210  -0.167
 8899TIP3    H233007   0.781  -4.360  -0.145
 8900TIP3   OH233008  -0.426  -2.698  -0.198
 8900TIP3    H133009  -0.469  -2.703  -0.284
 8900TIP3    H233010  -0.414  -2.602  -0.193
 8901TIP3   OH233011  -0.231  -4.129  -0.429
 8901TIP3    H133012  -0.163  -4.157  -0.492
 8901TIP3    H233013  -0.180  -4.071  -0.370
 8902TIP3   OH233014   0.492  -2.499  -0.339
 8902TIP3    H133015   0.581  -2.519  -0.373
 8902TIP3    H233016   0.441  -2.562  -0.392
 8903TIP3   OH233017   1.130  -2.613  -0.106
 8903TIP3    H133018   1.113  -2.696  -0.154
 8903TIP3    H233019   1.127  -2.548  -0.178
 8904TIP3   OH233020  -0.331  -4.178   1.041
 8904TIP3    H133021  -0.375  -4.259   1.070
 8904TIP3    H233022  -0.243  -4.214   1.026
 8905TIP3   OH233023  -0.037  -4.279   1.304
 8905TIP3    H133024   0.050  -4.305   1.266
 8905TIP3    H233025  -0.061  -4.358   1.353
 8906TIP3   OH233026   1.074  -2.735   1.130
 8906TIP3    H133027   0.999  -2.751   1.069
 8906TIP3    H233028   1.060  -2.640   1.150
 8907TIP3   OH233029   2.497  -3.366   0.144
 8907TIP3    H133030   2.496  -3.270   0.154
 8907TIP3    H233031   2.420  -3.380   0.087
 8908TIP3   OH233032   2.383  -3.422   0.451
 8908TIP3    H133033   2.380  -3.479   0.530
 8908TIP3    H233034   2.354  -3.484   0.382
 8909TIP3   OH233035   1.628  -3.464   0.618
 8909TIP3    H133036   1.628  -3.539   0.681
 8909TIP3    H233037   1.700  -3.410   0.655
 8910TIP3   OH233038   2.751  -3.150   0.283
 8910TIP3    H133039   2.712  -3.220   0.338
 8910TIP3    H233040   2.777  -3.085   0.350
 8911TIP3   OH233041   1.692  -3.002   0.468
 8911TIP3    H133042   1.673  -3.095   0.443
 8911TIP3    H233043   1.787  -3.010   0.489
 8912TIP3   OH233044   1.394  -3.661   0.007
 8912TIP3    H133045   1.355  -3.573   0.015
 8912TIP3    H233046   1.321  -3.711  -0.033
 8913TIP3   OH233047   1.475  -3.413   0.194
 8913TIP3    H133048   1.490  -3.498   0.241
 8913TIP3    H233049   1.558  -3.404   0.145
 8914TIP3   OH233050   2.457  -2.614   0.338
 8914TIP3    H133051   2.516  -2.685   0.308
 8914TIP3    H233052   2.428  -2.646   0.425
 8915TIP3   OH233053   2.230  -3.172   0.508
 8915TIP3    H133054   2.263  -3.243   0.450
 8915TIP3    H233055   2.312  -3.156   0.559
 8916TIP3   OH233056   3.086  -4.017   0.564
 8916TIP3    H133057   3.120  -3.972   0.643
 8916TIP3    H233058   3.151  -3.988   0.498
 8917TIP3   OH233059   2.559  -3.740   0.560
 8917TIP3    H133060   2.579  -3.836   0.561
 8917TIP3    H233061   2.550  -3.724   0.465
 8918TIP3   OH233062   1.854  -3.941   0.269
 8918TIP3    H133063   1.872  -3.856   0.224
 8918TIP3    H233064   1.823  -3.994   0.194
 8919TIP3   OH233065   2.646  -3.922   0.102
 8919TIP3    H133066   2.707  -3.964   0.166
 8919TIP3    H233067   2.708  -3.877   0.043
 8920TIP3   OH233068   1.526  -3.662   0.317
 8920TIP3    H133069   1.587  -3.711   0.374
 8920TIP3    H233070   1.534  -3.712   0.233
 8921TIP3   OH233071   2.065  -3.525   0.263
 8921TIP3    H133072   2.135  -3.580   0.302
 8921TIP3    H233073   2.014  -3.592   0.213
 8922TIP3   OH233074   3.181  -3.847   0.831
 8922TIP3    H133075   3.105  -3.797   0.796
 8922TIP3    H233076   3.141  -3.891   0.907
 8923TIP3   OH233077   1.736  -4.056   0.684
 8923TIP3    H133078   1.703  -4.001   0.612
 8923TIP3    H233079   1.669  -4.036   0.753
 8924TIP3   OH233080   2.487  -3.082   0.022
 8924TIP3    H133081   2.456  -3.102  -0.066
 8924TIP3    H233082   2.442  -2.997   0.041
 8925TIP3   OH233083   2.031  -3.269   0.695
 8925TIP3    H133084   1.957  -3.210   0.720
 8925TIP3    H233085   2.093  -3.209   0.650
 8926TIP3   OH233086   2.834  -4.014   0.305
 8926TIP3    H133087   2.785  -4.060   0.373
 8926TIP3    H233088   2.885  -3.950   0.357
 8927TIP3   OH233089   1.698  -3.856   0.479
 8927TIP3    H133090   1.761  -3.795   0.522
 8927TIP3    H233091   1.754  -3.890   0.405
 8928TIP3   OH233092   1.829  -3.083   0.767
 8928TIP3    H133093   1.827  -2.991   0.736
 8928TIP3    H233094   1.743  -3.088   0.813
 8929TIP3   OH233095   1.460  -3.111  -0.144
 8929TIP3    H133096   1.442  -3.063  -0.228
 8929TIP3    H233097   1.477  -3.039  -0.080
 8930TIP3   OH233098   2.806  -2.967   0.534
 8930TIP3    H133099   2.709  -2.956   0.535
 8930TIP3    H233100   2.833  -2.881   0.496
 8931TIP3   OH233101   2.849  -4.110   0.706
 8931TIP3    H133102   2.768  -4.078   0.662
 8931TIP3    H233103   2.915  -4.097   0.635
 8932TIP3   OH233104   2.159   4.381   0.409
 8932TIP3    H133105   2.155   4.285   0.417
 8932TIP3    H233106   2.072   4.412   0.439
 8933TIP3   OH233107   2.639  -2.776   0.194
 8933TIP3    H133108   2.688  -2.852   0.157
 8933TIP3    H233109   2.702  -2.703   0.177
 8934TIP3   OH233110   2.784  -2.990   0.051
 8934TIP3    H133111   2.728  -3.032  -0.016
 8934TIP3    H233112   2.775  -3.053   0.125
 8935TIP3   OH233113   2.938  -3.105   0.900
 8935TIP3    H133114   2.924  -3.169   0.828
 8935TIP3    H233115   2.946  -3.021   0.851
 8936TIP3   OH233116   2.361  -3.416  -0.130
 8936TIP3    H133117   2.295  -3.354  -0.166
 8936TIP3    H233118   2.432  -3.409  -0.195
 8937TIP3   OH233119   2.390  -3.596  -0.424
 8937TIP3    H133120   2.459  -3.565  -0.363
 8937TIP3    H233121   2.443  -3.653  -0.483
 8938TIP3   OH233122   3.111  -3.487   0.695
 8938TIP3    H133123   3.038  -3.423   0.702
 8938TIP3    H233124   3.158  -3.453   0.616
 8939TIP3   OH233125   2.713  -3.415  -0.022
 8939TIP3    H133126   2.644  -3.392   0.045
 8939TIP3    H233127   2.773  -3.470   0.031
 8940TIP3   OH233128   2.697  -3.562   0.861
 8940TIP3    H133129   2.702  -3.480   0.914
 8940TIP3    H233130   2.632  -3.533   0.795
 8941TIP3   OH233131   1.870  -3.338   0.156
 8941TIP3    H133132   1.840  -3.380   0.073
 8941TIP3    H233133   1.937  -3.401   0.188
 8942TIP3   OH233134   2.006  -2.999   0.431
 8942TIP3    H133135   1.997  -3.033   0.341
 8942TIP3    H233136   2.087  -3.044   0.462
 8943TIP3   OH233137   1.932  -3.458   0.506
 8943TIP3    H133138   1.988  -3.453   0.425
 8943TIP3    H233139   1.971  -3.389   0.563
 8944TIP3   OH233140   2.528  -2.906   0.562
 8944TIP3    H133141   2.527  -2.838   0.632
 8944TIP3    H233142   2.503  -2.987   0.610
 8945TIP3   OH233143   2.015  -3.025   0.989
 8945TIP3    H133144   1.964  -2.957   1.036
 8945TIP3    H233145   1.951  -3.051   0.919
 8946TIP3   OH233146   2.609  -3.473  -0.276
 8946TIP3    H133147   2.655  -3.443  -0.195
 8946TIP3    H233148   2.658  -3.420  -0.345
 8947TIP3   OH233149   1.709  -3.385   0.900
 8947TIP3    H133150   1.714  -3.327   0.978
 8947TIP3    H233151   1.613  -3.398   0.892
 8948TIP3   OH233152   2.355  -2.810   0.081
 8948TIP3    H133153   2.398  -2.777   0.160
 8948TIP3    H233154   2.306  -2.732   0.049
 8949TIP3   OH233155   1.826  -2.808   1.070
 8949TIP3    H133156   1.815  -2.801   0.973
 8949TIP3    H233157   1.737  -2.833   1.101
 8950TIP3   OH233158   2.927  -4.321  -0.354
 8950TIP3    H133159   2.885  -4.324  -0.268
 8950TIP3    H233160   3.006  -4.269  -0.333
 8951TIP3   OH233161   1.763  -3.463  -0.090
 8951TIP3    H133162   1.745  -3.387  -0.148
 8951TIP3    H233163   1.698  -3.527  -0.120
 8952TIP3   OH233164   3.089  -2.884  -0.471
 8952TIP3    H133165   3.104  -2.789  -0.450
 8952TIP3    H233166   3.177  -2.922  -0.452
 8953TIP3   OH233167   1.368  -3.197   0.781
 8953TIP3    H133168   1.328  -3.201   0.693
 8953TIP3    H233169   1.384  -3.291   0.800
 8954TIP3   OH233170   1.369  -2.896   0.488
 8954TIP3    H133171   1.455  -2.938   0.471
 8954TIP3    H233172   1.391  -2.846   0.568
 8955TIP3   OH233173   3.214  -2.841   1.052
 8955TIP3    H133174   3.203  -2.936   1.032
 8955TIP3    H233175   3.123  -2.818   1.080
 8956TIP3   OH233176   2.280  -2.920   0.933
 8956TIP3    H133177   2.287  -2.837   0.983
 8956TIP3    H233178   2.189  -2.949   0.954
 8957TIP3   OH233179   2.317  -2.540  -0.073
 8957TIP3    H133180   2.309  -2.525  -0.169
 8957TIP3    H233181   2.308  -2.451  -0.037
 8958TIP3   OH233182   1.697  -2.638   0.084
 8958TIP3    H133183   1.705  -2.665   0.177
 8958TIP3    H233184   1.605  -2.661   0.064
 8959TIP3   OH233185   2.640  -2.595  -0.353
 8959TIP3    H133186   2.695  -2.662  -0.398
 8959TIP3    H233187   2.632  -2.633  -0.263
 8960TIP3   OH233188   2.578  -2.655  -0.073
 8960TIP3    H133189   2.484  -2.633  -0.062
 8960TIP3    H233190   2.587  -2.727  -0.008
 8961TIP3   OH233191   2.895  -3.708   1.092
 8961TIP3    H133192   2.843  -3.668   1.020
 8961TIP3    H233193   2.901  -3.801   1.062
 8962TIP3   OH233194   1.590  -3.042   0.908
 8962TIP3    H133195   1.617  -3.090   0.989
 8962TIP3    H233196   1.517  -3.097   0.873
 8963TIP3   OH233197   1.911  -4.220   0.498
 8963TIP3    H133198   1.829  -4.242   0.452
 8963TIP3    H233199   1.887  -4.136   0.539
 8964TIP3   OH233200   2.367  -4.262   0.855
 8964TIP3    H133201   2.385  -4.309   0.937
 8964TIP3    H233202   2.272  -4.278   0.845
 8965TIP3   OH233203   2.664  -3.863   0.898
 8965TIP3    H133204   2.604  -3.875   0.974
 8965TIP3    H233205   2.657  -3.768   0.879
 8966TIP3   OH233206   2.763  -3.365  -0.477
 8966TIP3    H133207   2.743  -3.380  -0.571
 8966TIP3    H233208   2.856  -3.336  -0.481
 8967TIP3   OH233209   2.329  -3.994  -0.430
 8967TIP3    H133210   2.274  -4.004  -0.350
 8967TIP3    H233211   2.279  -4.054  -0.490
 8968TIP3   OH233212   1.895  -3.716   0.624
 8968TIP3    H133213   1.836  -3.703   0.700
 8968TIP3    H233214   1.903  -3.625   0.588
 8969TIP3   OH233215   1.889  -3.709   0.113
 8969TIP3    H133216   1.794  -3.717   0.096
 8969TIP3    H233217   1.925  -3.727   0.023
 8970TIP3   OH233218   2.451  -3.652  -0.011
 8970TIP3    H133219   2.410  -3.569  -0.044
 8970TIP3    H233220   2.518  -3.667  -0.080
 8971TIP3   OH233221   2.370  -3.632   1.123
 8971TIP3    H133222   2.318  -3.706   1.160
 8971TIP3    H233223   2.456  -3.644   1.166
 8972TIP3   OH233224   2.536  -3.711   0.267
 8972TIP3    H133225   2.507  -3.653   0.194
 8972TIP3    H233226   2.557  -3.792   0.216
 8973TIP3   OH233227   1.631  -3.696   0.806
 8973TIP3    H133228   1.659  -3.669   0.894
 8973TIP3    H233229   1.592  -3.784   0.825
 8974TIP3   OH233230   1.968  -3.944  -0.536
 8974TIP3    H133231   1.933  -3.979  -0.452
 8974TIP3    H233232   1.888  -3.926  -0.587
 8975TIP3   OH233233   1.311  -3.956   0.171
 8975TIP3    H133234   1.369  -3.956   0.249
 8975TIP3    H233235   1.367  -3.993   0.101
 8976TIP3   OH233236   1.472  -3.911  -0.258
 8976TIP3    H133237   1.525  -3.860  -0.322
 8976TIP3    H233238   1.400  -3.847  -0.240
 8977TIP3   OH233239   2.446  -3.543   0.713
 8977TIP3    H133240   2.489  -3.616   0.663
 8977TIP3    H233241   2.412  -3.591   0.790
 8978TIP3   OH233242   2.167  -3.943   0.211
 8978TIP3    H133243   2.073  -3.958   0.232
 8978TIP3    H233244   2.209  -3.972   0.293
 8979TIP3   OH233245   1.622  -3.827   0.082
 8979TIP3    H133246   1.542  -3.798   0.036
 8979TIP3    H233247   1.649  -3.908   0.035
 8980TIP3   OH233248   1.986  -3.790  -0.148
 8980TIP3    H133249   2.083  -3.783  -0.146
 8980TIP3    H233250   1.960  -3.733  -0.223
 8981TIP3   OH233251   2.601  -4.033   0.516
 8981TIP3    H133252   2.537  -4.035   0.590
 8981TIP3    H233253   2.543  -4.063   0.444
 8982TIP3   OH233254   1.834  -3.673  -0.373
 8982TIP3    H133255   1.774  -3.695  -0.446
 8982TIP3    H233256   1.914  -3.648  -0.421
 8983TIP3   OH233257   2.906  -2.458   1.182
 8983TIP3    H133258   2.925  -2.412   1.099
 8983TIP3    H233259   2.976  -2.425   1.241
 8984TIP3   OH233260   1.697  -3.196   1.125
 8984TIP3    H133261   1.765  -3.187   1.195
 8984TIP3    H233262   1.616  -3.195   1.180
 8985TIP3   OH233263   2.268  -3.694   0.398
 8985TIP3    H133264   2.340  -3.738   0.349
 8985TIP3    H233265   2.252  -3.757   0.471
 8986TIP3   OH233266   1.781  -4.066   0.019
 8986TIP3    H133267   1.736  -4.152   0.032
 8986TIP3    H233268   1.866  -4.093  -0.018
 8987TIP3   OH233269   2.164  -3.849   0.623
 8987TIP3    H133270   2.089  -3.788   0.622
 8987TIP3    H233271   2.214  -3.822   0.703
 8988TIP3   OH233272   2.179  -3.210  -0.189
 8988TIP3    H133273   2.103  -3.260  -0.225
 8988TIP3    H233274   2.159  -3.205  -0.093
 8989TIP3   OH233275   2.901  -3.294   0.685
 8989TIP3    H133276   2.951  -3.239   0.620
 8989TIP3    H233277   2.816  -3.305   0.639
 8990TIP3   OH233278   2.596  -3.930  -0.428
 8990TIP3    H133279   2.498  -3.938  -0.425
 8990TIP3    H233280   2.615  -3.863  -0.360
 8991TIP3   OH233281   2.344  -3.208   0.943
 8991TIP3    H133282   2.313  -3.240   1.029
 8991TIP3    H233283   2.313  -3.116   0.943
 8992TIP3   OH233284   2.661  -3.750  -0.213
 8992TIP3    H133285   2.748  -3.762  -0.170
 8992TIP3    H233286   2.670  -3.659  -0.250
 8993TIP3   OH233287   1.694  -3.270   0.393
 8993TIP3    H133288   1.749  -3.281   0.313
 8993TIP3    H233289   1.703  -3.357   0.436
 8994TIP3   OH233290   2.419  -3.074  -0.295
 8994TIP3    H133291   2.392  -2.987  -0.260
 8994TIP3    H233292   2.342  -3.128  -0.269
 8995TIP3   OH233293   1.417  -3.442   0.920
 8995TIP3    H133294   1.435  -3.487   1.005
 8995TIP3    H233295   1.359  -3.505   0.874
 8996TIP3   OH233296   2.116  -3.493   1.118
 8996TIP3    H133297   2.082  -3.517   1.030
 8996TIP3    H233298   2.209  -3.520   1.108
 8997TIP3   OH233299   2.570  -2.950   0.891
 8997TIP3    H133300   2.474  -2.942   0.883
 8997TIP3    H233301   2.585  -2.924   0.983
 8998TIP3   OH233302   3.123  -3.746  -0.233
 8998TIP3    H133303   3.066  -3.765  -0.310
 8998TIP3    H233304   3.134  -3.649  -0.246
 8999TIP3   OH233305   3.169  -3.139   1.047
 8999TIP3    H133306   3.075  -3.119   1.028
 8999TIP3    H233307   3.201  -3.159   0.957
 9000TIP3   OH233308   2.943  -2.883  -0.222
 9000TIP3    H133309   2.922  -2.962  -0.170
 9000TIP3    H233310   2.995  -2.920  -0.296
 9001TIP3   OH233311   2.667  -3.351   0.516
 9001TIP3    H133312   2.574  -3.365   0.491
 9001TIP3    H233313   2.711  -3.422   0.465
 9002TIP3   OH233314   1.928  -2.940   0.122
 9002TIP3    H133315   1.972  -2.854   0.108
 9002TIP3    H233316   1.839  -2.919   0.094
 9003TIP3   OH233317   1.531  -3.463  -0.419
 9003TIP3    H133318   1.587  -3.394  -0.381
 9003TIP3    H233319   1.442  -3.434  -0.388
 9004TIP3   OH233320   2.114  -3.174   0.081
 9004TIP3    H133321   2.086  -3.082   0.095
 9004TIP3    H233322   2.041  -3.222   0.124
 9005TIP3   OH233323   2.130  -2.747   0.717
 9005TIP3    H133324   2.184  -2.672   0.686
 9005TIP3    H233325   2.194  -2.795   0.773
 9006TIP3   OH233326   1.974  -2.655   0.042
 9006TIP3    H133327   1.879  -2.635   0.047
 9006TIP3    H233328   2.013  -2.567   0.064
 9007TIP3   OH233329   2.471  -3.172   0.673
 9007TIP3    H133330   2.442  -3.200   0.762
 9007TIP3    H233331   2.545  -3.233   0.656
 9008TIP3   OH233332   2.688  -3.043  -0.435
 9008TIP3    H133333   2.730  -3.087  -0.359
 9008TIP3    H233334   2.595  -3.055  -0.410
 9009TIP3   OH233335   2.767  -2.715   0.912
 9009TIP3    H133336   2.690  -2.761   0.871
 9009TIP3    H233337   2.774  -2.635   0.856
 9010TIP3   OH233338   3.164  -2.615  -0.382
 9010TIP3    H133339   3.230  -2.550  -0.408
 9010TIP3    H233340   3.085  -2.558  -0.379
 9011TIP3   OH233341   1.552  -3.961   0.878
 9011TIP3    H133342   1.461  -3.943   0.847
 9011TIP3    H233343   1.536  -4.047   0.922
 9012TIP3   OH233344   2.784  -3.181  -0.197
 9012TIP3    H133345   2.758  -3.252  -0.136
 9012TIP3    H233346   2.881  -3.182  -0.187
 9013TIP3   OH233347   1.521  -2.808   0.722
 9013TIP3    H133348   1.563  -2.894   0.738
 9013TIP3    H233349   1.547  -2.761   0.803
 9014TIP3   OH233350   2.113  -2.936  -0.578
 9014TIP3    H133351   2.141  -3.016  -0.626
 9014TIP3    H233352   2.070  -2.975  -0.500
 9015TIP3   OH233353   1.997  -2.985  -0.306
 9015TIP3    H133354   2.049  -3.036  -0.242
 9015TIP3    H233355   2.011  -2.893  -0.275
 9016TIP3   OH233356   1.681  -3.241  -0.265
 9016TIP3    H133357   1.608  -3.202  -0.214
 9016TIP3    H233358   1.727  -3.161  -0.296
 9017TIP3   OH233359   2.442  -4.007   0.745
 9017TIP3    H133360   2.505  -3.981   0.813
 9017TIP3    H233361   2.406  -4.092   0.779
 9018TIP3   OH233362   2.522  -4.058  -0.141
 9018TIP3    H133363   2.526  -3.997  -0.216
 9018TIP3    H233364   2.556  -4.002  -0.069
 9019TIP3   OH233365   2.290  -2.826  -0.244
 9019TIP3    H133366   2.211  -2.773  -0.223
 9019TIP3    H233367   2.328  -2.774  -0.317
 9020TIP3   OH233368   2.256  -3.853  -0.041
 9020TIP3    H133369   2.328  -3.788  -0.027
 9020TIP3    H233370   2.225  -3.867   0.051
 9021TIP3   OH233371   2.288  -3.761   0.871
 9021TIP3    H133372   2.296  -3.710   0.953
 9021TIP3    H233373   2.344  -3.837   0.889
 9022TIP3   OH233374   2.327  -4.173   0.060
 9022TIP3    H133375   2.292  -4.097   0.110
 9022TIP3    H233376   2.381  -4.128  -0.008
 9023TIP3   OH233377   2.011  -2.715  -0.243
 9023TIP3    H133378   2.006  -2.634  -0.299
 9023TIP3    H233379   1.996  -2.679  -0.154
 9024TIP3   OH233380   1.880  -4.051  -0.291
 9024TIP3    H133381   1.882  -3.969  -0.238
 9024TIP3    H233382   1.968  -4.087  -0.269
 9025TIP3   OH233383   2.926  -3.963   0.953
 9025TIP3    H133384   2.829  -3.952   0.944
 9025TIP3    H233385   2.945  -3.989   0.862
 9026TIP3   OH233386   2.767  -3.574   0.363
 9026TIP3    H133387   2.685  -3.619   0.336
 9026TIP3    H233388   2.816  -3.646   0.409
 9027TIP3   OH233389   1.723  -2.963  -0.389
 9027TIP3    H133390   1.795  -2.909  -0.351
 9027TIP3    H233391   1.773  -3.010  -0.457
 9028TIP3   OH233392   1.538  -3.745  -0.479
 9028TIP3    H133393   1.550  -3.651  -0.456
 9028TIP3    H233394   1.451  -3.743  -0.522
 9029TIP3   OH233395   2.870  -2.689   0.503
 9029TIP3    H133396   2.849  -2.609   0.451
 9029TIP3    H233397   2.963  -2.672   0.525
 9030TIP3   OH233398   1.551  -4.242   0.418
 9030TIP3    H133399   1.590  -4.241   0.330
 9030TIP3    H233400   1.574  -4.333   0.444
 9031TIP3   OH233401   1.513  -2.879   0.037
 9031TIP3    H133402   1.432  -2.830   0.023
 9031TIP3    H233403   1.569  -2.842  -0.032
 9032TIP3   OH233404   1.459  -2.596   1.143
 9032TIP3    H133405   1.515  -2.624   1.218
 9032TIP3    H233406   1.419  -2.681   1.115
 9033TIP3   OH233407   1.928  -2.694   1.323
 9033TIP3    H133408   1.998  -2.757   1.342
 9033TIP3    H233409   1.906  -2.717   1.231
 9034TIP3   OH233410   2.335  -2.766  -0.528
 9034TIP3    H133411   2.259  -2.827  -0.537
 9034TIP3    H233412   2.405  -2.821  -0.567
 9035TIP3   OH233413   2.578  -2.866   1.178
 9035TIP3    H133414   2.537  -2.946   1.215
 9035TIP3    H233415   2.645  -2.844   1.245
 9036TIP3   OH233416   2.797  -2.775  -0.515
 9036TIP3    H133417   2.814  -2.857  -0.467
 9036TIP3    H233418   2.873  -2.770  -0.576
 9037TIP3   OH233419   1.455  -3.236   1.255
 9037TIP3    H133420   1.464  -3.326   1.220
 9037TIP3    H233421   1.378  -3.204   1.203
 9038TIP3   OH233422   1.876  -3.194  -0.544
 9038TIP3    H133423   1.894  -3.252  -0.468
 9038TIP3    H233424   1.963  -3.196  -0.589
 9039TIP3   OH233425   2.119  -3.216   1.189
 9039TIP3    H133426   2.088  -3.182   1.103
 9039TIP3    H233427   2.125  -3.312   1.173
 9040TIP3   OH233428   2.401  -3.061  -0.582
 9040TIP3    H133429   2.395  -3.064  -0.485
 9040TIP3    H233430   2.395  -3.157  -0.603
 9041TIP3   OH233431   2.655  -3.254   0.929
 9041TIP3    H133432   2.733  -3.200   0.907
 9041TIP3    H233433   2.585  -3.188   0.926
 9042TIP3   OH233434   1.541  -3.523   1.171
 9042TIP3    H133435   1.616  -3.585   1.173
 9042TIP3    H233436   1.537  -3.499   1.265
 9043TIP3   OH233437   1.986  -3.385  -0.310
 9043TIP3    H133438   1.925  -3.437  -0.255
 9043TIP3    H233439   2.016  -3.453  -0.373
 9044TIP3   OH233440   1.906  -3.609   0.915
 9044TIP3    H133441   1.853  -3.530   0.935
 9044TIP3    H233442   1.972  -3.573   0.852
 9045TIP3   OH233443   2.080  -3.584  -0.484
 9045TIP3    H133444   2.076  -3.575  -0.581
 9045TIP3    H233445   2.176  -3.587  -0.469
 9046TIP3   OH233446   2.438  -3.338   1.272
 9046TIP3    H133447   2.528  -3.357   1.240
 9046TIP3    H233448   2.412  -3.422   1.311
 9047TIP3   OH233449   3.034  -3.332  -0.552
 9047TIP3    H133450   3.021  -3.372  -0.639
 9047TIP3    H233451   3.021  -3.237  -0.574
 9048TIP3   OH233452   1.966  -3.879   1.026
 9048TIP3    H133453   1.974  -3.944   0.954
 9048TIP3    H233454   1.946  -3.797   0.977
 9049TIP3   OH233455   2.004  -4.037   0.768
 9049TIP3    H133456   2.057  -3.982   0.707
 9049TIP3    H233457   1.913  -4.026   0.734
 9050TIP3   OH233458   2.155  -3.487   0.815
 9050TIP3    H133459   2.239  -3.495   0.766
 9050TIP3    H233460   2.123  -3.400   0.784
 9051TIP3   OH233461   2.612  -3.693   1.292
 9051TIP3    H133462   2.632  -3.786   1.309
 9051TIP3    H233463   2.701  -3.654   1.288
 9052TIP3   OH233464   2.710  -3.415   1.142
 9052TIP3    H133465   2.675  -3.354   1.074
 9052TIP3    H233466   2.799  -3.430   1.105
 9053TIP3   OH233467   1.787  -3.696   1.209
 9053TIP3    H133468   1.736  -3.778   1.210
 9053TIP3    H233469   1.868  -3.725   1.164
 9054TIP3   OH233470   2.051  -4.277   0.890
 9054TIP3    H133471   2.066  -4.187   0.855
 9054TIP3    H233472   1.957  -4.287   0.868
 9055TIP3   OH233473   2.200  -3.844   1.186
 9055TIP3    H133474   2.169  -3.871   1.274
 9055TIP3    H233475   2.119  -3.863   1.134
 9056TIP3   OH233476   2.459  -3.944   1.084
 9056TIP3    H133477   2.370  -3.930   1.121
 9056TIP3    H233478   2.495  -4.010   1.147
 9057TIP3   OH233479   2.635  -4.137   1.254
 9057TIP3    H133480   2.616  -4.224   1.291
 9057TIP3    H233481   2.617  -4.077   1.328
 9058TIP3   OH233482   1.667  -3.960   1.196
 9058TIP3    H133483   1.640  -4.020   1.125
 9058TIP3    H233484   1.622  -3.998   1.274
 9059TIP3   OH233485   2.163  -4.145   1.294
 9059TIP3    H133486   2.140  -4.228   1.249
 9059TIP3    H233487   2.078  -4.099   1.302
 9060TIP3   OH233488   2.059  -2.466  -0.378
 9060TIP3    H133489   2.152  -2.444  -0.360
 9060TIP3    H233490   2.044  -2.410  -0.456
 9061TIP3   OH233491   1.448  -3.022  -0.418
 9061TIP3    H133492   1.544  -3.001  -0.408
 9061TIP3    H233493   1.450  -3.097  -0.479
 9062TIP3   OH233494   1.357  -2.496   0.052
 9062TIP3    H133495   1.286  -2.527  -0.006
 9062TIP3    H233496   1.360  -2.562   0.123
 9063TIP3   OH233497   1.351  -2.701   0.277
 9063TIP3    H133498   1.379  -2.794   0.273
 9063TIP3    H233499   1.424  -2.664   0.331
 9064TIP3   OH233500   3.142  -2.573   0.552
 9064TIP3    H133501   3.158  -2.576   0.648
 9064TIP3    H233502   3.227  -2.543   0.518
 9065TIP3   OH233503   3.134  -2.628   0.840
 9065TIP3    H133504   3.079  -2.700   0.803
 9065TIP3    H233505   3.186  -2.677   0.905
 9066TIP3   OH233506   2.931  -3.086   1.269
 9066TIP3    H133507   2.842  -3.077   1.308
 9066TIP3    H233508   2.976  -3.004   1.299
 9067TIP3   OH233509   3.071  -3.195  -0.158
 9067TIP3    H133510   3.161  -3.162  -0.142
 9067TIP3    H233511   3.062  -3.258  -0.085
 9068TIP3   OH233512   3.117  -3.398   0.039
 9068TIP3    H133513   3.050  -3.455   0.082
 9068TIP3    H233514   3.185  -3.387   0.108
 9069TIP3   OH233515   3.091  -3.149   0.540
 9069TIP3    H133516   3.150  -3.198   0.481
 9069TIP3    H233517   3.100  -3.058   0.507
 9070TIP3   OH233518   2.961  -2.857   0.762
 9070TIP3    H133519   2.887  -2.816   0.811
 9070TIP3    H233520   2.916  -2.892   0.683
 9071TIP3   OH233521   3.143  -3.454  -0.303
 9071TIP3    H133522   3.091  -3.425  -0.381
 9071TIP3    H233523   3.129  -3.379  -0.243
 9072TIP3   OH233524   2.971  -3.699  -0.477
 9072TIP3    H133525   2.996  -3.638  -0.547
 9072TIP3    H233526   2.945  -3.779  -0.527
 9073TIP3   OH233527   2.912  -3.584   0.122
 9073TIP3    H133528   2.903  -3.679   0.103
 9073TIP3    H233529   2.872  -3.576   0.211
 9074TIP3   OH233530   1.394  -3.361   0.492
 9074TIP3    H133531   1.418  -3.359   0.398
 9074TIP3    H233532   1.480  -3.384   0.532
 9075TIP3   OH233533   2.971  -3.393   1.037
 9075TIP3    H133534   3.045  -3.454   1.052
 9075TIP3    H233535   3.016  -3.310   1.015
 9076TIP3   OH233536   3.127  -3.584   1.158
 9076TIP3    H133537   3.047  -3.636   1.134
 9076TIP3    H233538   3.196  -3.653   1.155
 9077TIP3   OH233539   2.912  -3.969  -0.561
 9077TIP3    H133540   2.971  -4.012  -0.496
 9077TIP3    H233541   2.829  -4.018  -0.550
 9078TIP3   OH233542   2.894  -3.827  -0.059
 9078TIP3    H133543   2.911  -3.924  -0.054
 9078TIP3    H233544   2.976  -3.797  -0.102
 9079TIP3   OH233545   2.919  -3.774   0.479
 9079TIP3    H133546   3.017  -3.768   0.477
 9079TIP3    H233547   2.905  -3.776   0.575
 9080TIP3   OH233548   2.934  -3.706   0.766
 9080TIP3    H133549   2.850  -3.665   0.791
 9080TIP3    H233550   2.989  -3.629   0.743
 9081TIP3   OH233551   1.380  -3.836   1.144
 9081TIP3    H133552   1.472  -3.858   1.127
 9081TIP3    H233553   1.337  -3.923   1.141
 9082TIP3   OH233554   3.152  -4.275   1.343
 9082TIP3    H133555   3.198  -4.356   1.319
 9082TIP3    H233556   3.152  -4.218   1.263
 9083TIP3   OH233557   2.923  -4.099  -0.051
 9083TIP3    H133558   2.947  -4.150   0.027
 9083TIP3    H233559   2.861  -4.160  -0.095
 9084TIP3   OH233560   1.456  -3.990   0.412
 9084TIP3    H133561   1.487  -4.083   0.423
 9084TIP3    H233562   1.531  -3.940   0.449
 9085TIP3   OH233563   1.316  -3.728   0.514
 9085TIP3    H133564   1.375  -3.734   0.437
 9085TIP3    H233565   1.355  -3.654   0.562
 9086TIP3   OH233566   3.129  -4.111   1.127
 9086TIP3    H133567   3.044  -4.064   1.133
 9086TIP3    H233568   3.120  -4.147   1.036
 9087TIP3   OH233569   3.137  -4.057  -0.392
 9087TIP3    H133570   3.155  -4.143  -0.436
 9087TIP3    H233571   3.224  -4.015  -0.390
 9088TIP3   OH233572   1.371  -4.102  -0.080
 9088TIP3    H133573   1.276  -4.094  -0.099
 9088TIP3    H233574   1.410  -4.033  -0.138
 9089TIP3   OH233575   2.831  -2.570   0.132
 9089TIP3    H133576   2.878  -2.593   0.050
 9089TIP3    H233577   2.901  -2.532   0.186
 9090TIP3   OH233578   1.349  -4.128   0.773
 9090TIP3    H133579   1.347  -4.222   0.799
 9090TIP3    H233580   1.327  -4.133   0.679
 9091TIP3   OH233581   1.570  -2.900   1.205
 9091TIP3    H133582   1.498  -2.897   1.140
 9091TIP3    H233583   1.522  -2.897   1.289
 9092TIP3   OH233584   1.853  -2.797   0.772
 9092TIP3    H133585   1.823  -2.712   0.736
 9092TIP3    H233586   1.949  -2.789   0.754
 9093TIP3   OH233587   2.306  -2.669   1.073
 9093TIP3    H133588   2.320  -2.684   1.168
 9093TIP3    H233589   2.388  -2.622   1.047
 9094TIP3   OH233590   2.534  -2.521   0.997
 9094TIP3    H133591   2.602  -2.587   0.974
 9094TIP3    H233592   2.564  -2.492   1.085
 9095TIP3   OH233593   2.993  -4.276   0.917
 9095TIP3    H133594   2.942  -4.214   0.862
 9095TIP3    H233595   3.013  -4.344   0.851
 9096TIP3   OH233596   1.588  -2.506   0.802
 9096TIP3    H133597   1.531  -2.442   0.757
 9096TIP3    H233598   1.559  -2.495   0.893
 9097TIP3   OH233599   1.840  -2.525   0.657
 9097TIP3    H133600   1.756  -2.503   0.703
 9097TIP3    H233601   1.843  -2.457   0.588
 9098TIP3   OH233602   2.316  -2.526   0.616
 9098TIP3    H133603   2.277  -2.484   0.536
 9098TIP3    H233604   2.323  -2.449   0.675
 9099TIP3   OH233605   2.548  -2.654   0.709
 9099TIP3    H133606   2.464  -2.619   0.675
 9099TIP3    H233607   2.603  -2.574   0.704
 9100TIP3   OH233608   2.806  -2.481   0.728
 9100TIP3    H133609   2.796  -2.386   0.704
 9100TIP3    H233610   2.829  -2.518   0.641
 9101TIP3   OH233611   1.521  -2.628   0.494
 9101TIP3    H133612   1.525  -2.658   0.587
 9101TIP3    H233613   1.610  -2.653   0.463
 9102TIP3   OH233614   1.742  -2.742   0.350
 9102TIP3    H133615   1.733  -2.836   0.375
 9102TIP3    H233616   1.834  -2.723   0.374
 9103TIP3   OH233617   2.023  -2.702   0.431
 9103TIP3    H133618   2.044  -2.794   0.409
 9103TIP3    H233619   2.032  -2.704   0.527
 9104TIP3   OH233620   2.357  -4.112   0.362
 9104TIP3    H133621   2.294  -4.182   0.389
 9104TIP3    H233622   2.416  -4.161   0.302
 9105TIP3   OH233623   2.885  -4.330   0.407
 9105TIP3    H133624   2.945  -4.289   0.342
 9105TIP3    H233625   2.798  -4.305   0.373
 9106TIP3   OH233626   3.080  -4.225   0.189
 9106TIP3    H133627   3.136  -4.246   0.113
 9106TIP3    H233628   3.099  -4.130   0.201
 9107TIP3   OH233629   1.593  -4.284   0.091
 9107TIP3    H133630   1.501  -4.304   0.073
 9107TIP3    H233631   1.626  -4.365   0.130
 9108TIP3   OH233632   1.450  -4.291  -0.282
 9108TIP3    H133633   1.496  -4.244  -0.354
 9108TIP3    H233634   1.414  -4.217  -0.231
 9109TIP3   OH233635   2.041  -4.227   0.121
 9109TIP3    H133636   2.135  -4.235   0.098
 9109TIP3    H233637   2.029  -4.293   0.189
 9110TIP3   OH233638   2.599  -4.265   0.257
 9110TIP3    H133639   2.631  -4.262   0.165
 9110TIP3    H233640   2.583  -4.359   0.271
 9111TIP3   OH233641   2.708  -4.272  -0.147
 9111TIP3    H133642   2.632  -4.213  -0.168
 9111TIP3    H233643   2.668  -4.360  -0.151
 9112TIP3   OH233644   1.478  -2.697  -0.180
 9112TIP3    H133645   1.421  -2.700  -0.258
 9112TIP3    H233646   1.493  -2.601  -0.173
 9113TIP3   OH233647   1.642  -4.128  -0.439
 9113TIP3    H133648   1.713  -4.160  -0.497
 9113TIP3    H233649   1.694  -4.074  -0.376
 9114TIP3   OH233650   2.166  -4.061  -0.211
 9114TIP3    H133651   2.173  -4.143  -0.159
 9114TIP3    H233652   2.185  -3.991  -0.144
 9115TIP3   OH233653   2.362  -2.515  -0.365
 9115TIP3    H133654   2.459  -2.511  -0.371
 9115TIP3    H233655   2.342  -2.578  -0.435
 9116TIP3   OH233656   3.015  -2.610  -0.108
 9116TIP3    H133657   2.989  -2.694  -0.151
 9116TIP3    H233658   3.004  -2.548  -0.182
 9117TIP3   OH233659   1.555  -4.179   1.039
 9117TIP3    H133660   1.510  -4.258   1.072
 9117TIP3    H233661   1.644  -4.215   1.027
 9118TIP3   OH233662   1.848  -4.278   1.304
 9118TIP3    H133663   1.935  -4.305   1.266
 9118TIP3    H233664   1.825  -4.356   1.355
 9119TIP3   OH233665   1.635  -2.608  -0.497
 9119TIP3    H133666   1.617  -2.569  -0.410
 9119TIP3    H233667   1.718  -2.655  -0.484
 9120TIP3   OH233668   2.963  -2.734   1.130
 9120TIP3    H133669   2.889  -2.754   1.069
 9120TIP3    H233670   2.943  -2.640   1.151
 9121TIP3   OH233671   4.211  -3.455   0.459
 9121TIP3    H133672   4.292  -3.430   0.509
 9121TIP3    H233673   4.245  -3.462   0.369
 9122TIP3   OH233674   3.514  -3.464   0.618
 9122TIP3    H133675   3.513  -3.539   0.681
 9122TIP3    H233676   3.587  -3.410   0.654
 9123TIP3   OH233677   3.581  -3.000   0.469
 9123TIP3    H133678   3.556  -3.091   0.443
 9123TIP3    H233679   3.674  -3.014   0.491
 9124TIP3   OH233680   3.280  -3.661   0.007
 9124TIP3    H133681   3.240  -3.573   0.015
 9124TIP3    H233682   3.207  -3.710  -0.033
 9125TIP3   OH233683   3.361  -3.413   0.193
 9125TIP3    H133684   3.375  -3.497   0.241
 9125TIP3    H233685   3.444  -3.405   0.145
 9126TIP3   OH233686   4.120  -3.171   0.518
 9126TIP3    H133687   4.144  -3.246   0.462
 9126TIP3    H233688   4.203  -3.151   0.562
 9127TIP3   OH233689   3.742  -3.941   0.269
 9127TIP3    H133690   3.759  -3.856   0.225
 9127TIP3    H233691   3.708  -3.993   0.194
 9128TIP3   OH233692   3.412  -3.662   0.316
 9128TIP3    H133693   3.473  -3.711   0.374
 9128TIP3    H233694   3.420  -3.712   0.233
 9129TIP3   OH233695   3.951  -3.528   0.265
 9129TIP3    H133696   4.027  -3.581   0.299
 9129TIP3    H233697   3.902  -3.598   0.217
 9130TIP3   OH233698   3.622  -4.056   0.685
 9130TIP3    H133699   3.589  -4.001   0.612
 9130TIP3    H233700   3.555  -4.036   0.753
 9131TIP3   OH233701   3.916  -3.276   0.697
 9131TIP3    H133702   3.843  -3.215   0.722
 9131TIP3    H233703   3.981  -3.215   0.658
 9132TIP3   OH233704   3.584  -3.856   0.478
 9132TIP3    H133705   3.647  -3.795   0.521
 9132TIP3    H233706   3.640  -3.890   0.405
 9133TIP3   OH233707   3.715  -3.083   0.769
 9133TIP3    H133708   3.712  -2.991   0.736
 9133TIP3    H233709   3.628  -3.089   0.812
 9134TIP3   OH233710   3.348  -3.112  -0.144
 9134TIP3    H133711   3.327  -3.063  -0.226
 9134TIP3    H233712   3.363  -3.041  -0.078
 9135TIP3   OH233713   4.048   4.380   0.411
 9135TIP3    H133714   4.042   4.283   0.418
 9135TIP3    H233715   3.960   4.411   0.439
 9136TIP3   OH233716   4.267  -3.428  -0.143
 9136TIP3    H133717   4.198  -3.360  -0.152
 9136TIP3    H233718   4.330  -3.400  -0.208
 9137TIP3   OH233719   4.291  -3.579  -0.424
 9137TIP3    H133720   4.367  -3.584  -0.364
 9137TIP3    H233721   4.293  -3.662  -0.472
 9138TIP3   OH233722   3.759  -3.339   0.156
 9138TIP3    H133723   3.728  -3.382   0.074
 9138TIP3    H233724   3.823  -3.404   0.190
 9139TIP3   OH233725   3.898  -2.998   0.431
 9139TIP3    H133726   3.888  -3.039   0.344
 9139TIP3    H233727   3.977  -3.045   0.465
 9140TIP3   OH233728   3.816  -3.457   0.504
 9140TIP3    H133729   3.875  -3.459   0.427
 9140TIP3    H233730   3.858  -3.391   0.562
 9141TIP3   OH233731   3.904  -3.021   0.986
 9141TIP3    H133732   3.851  -2.957   1.036
 9141TIP3    H233733   3.840  -3.050   0.918
 9142TIP3   OH233734   3.595  -3.386   0.901
 9142TIP3    H133735   3.599  -3.328   0.978
 9142TIP3    H233736   3.499  -3.398   0.891
 9143TIP3   OH233737   4.250  -2.815   0.075
 9143TIP3    H133738   4.299  -2.765   0.143
 9143TIP3    H233739   4.199  -2.745   0.032
 9144TIP3   OH233740   3.710  -2.802   1.071
 9144TIP3    H133741   3.700  -2.803   0.974
 9144TIP3    H233742   3.622  -2.833   1.102
 9145TIP3   OH233743   3.650  -3.463  -0.091
 9145TIP3    H133744   3.630  -3.387  -0.148
 9145TIP3    H233745   3.583  -3.527  -0.119
 9146TIP3   OH233746   3.257  -3.196   0.781
 9146TIP3    H133747   3.212  -3.196   0.695
 9146TIP3    H233748   3.269  -3.291   0.798
 9147TIP3   OH233749   3.262  -2.901   0.473
 9147TIP3    H133750   3.354  -2.933   0.480
 9147TIP3    H233751   3.256  -2.844   0.551
 9148TIP3   OH233752   4.172  -2.920   0.936
 9148TIP3    H133753   4.179  -2.832   0.976
 9148TIP3    H233754   4.082  -2.949   0.959
 9149TIP3   OH233755   4.178  -2.534  -0.073
 9149TIP3    H133756   4.204  -2.538  -0.166
 9149TIP3    H233757   4.211  -2.449  -0.043
 9150TIP3   OH233758   3.574  -2.622   0.092
 9150TIP3    H133759   3.587  -2.670   0.177
 9150TIP3    H233760   3.493  -2.664   0.060
 9151TIP3   OH233761   3.474  -3.040   0.907
 9151TIP3    H133762   3.502  -3.089   0.987
 9151TIP3    H233763   3.401  -3.095   0.872
 9152TIP3   OH233764   3.798  -4.221   0.499
 9152TIP3    H133765   3.716  -4.247   0.454
 9152TIP3    H233766   3.771  -4.137   0.539
 9153TIP3   OH233767   4.226  -4.306   0.859
 9153TIP3    H133768   4.256  -4.315   0.950
 9153TIP3    H233769   4.133  -4.280   0.870
 9154TIP3   OH233770   4.225  -3.988  -0.428
 9154TIP3    H133771   4.164  -4.000  -0.353
 9154TIP3    H233772   4.186  -4.052  -0.490
 9155TIP3   OH233773   3.779  -3.714   0.624
 9155TIP3    H133774   3.717  -3.703   0.698
 9155TIP3    H233775   3.787  -3.624   0.587
 9156TIP3   OH233776   3.774  -3.710   0.113
 9156TIP3    H133777   3.679  -3.718   0.096
 9156TIP3    H233778   3.810  -3.726   0.023
 9157TIP3   OH233779   4.278  -3.671   0.062
 9157TIP3    H133780   4.280  -3.575   0.045
 9157TIP3    H233781   4.371  -3.695   0.072
 9158TIP3   OH233782   4.250  -3.626   1.144
 9158TIP3    H133783   4.193  -3.705   1.156
 9158TIP3    H233784   4.337  -3.670   1.147
 9159TIP3   OH233785   3.520  -3.697   0.806
 9159TIP3    H133786   3.542  -3.668   0.895
 9159TIP3    H233787   3.478  -3.784   0.823
 9160TIP3   OH233788   3.859  -3.936  -0.534
 9160TIP3    H133789   3.822  -3.977  -0.454
 9160TIP3    H233790   3.782  -3.926  -0.591
 9161TIP3   OH233791   3.197  -3.955   0.170
 9161TIP3    H133792   3.254  -3.956   0.249
 9161TIP3    H233793   3.253  -3.994   0.101
 9162TIP3   OH233794   3.357  -3.911  -0.257
 9162TIP3    H133795   3.411  -3.860  -0.322
 9162TIP3    H233796   3.286  -3.847  -0.240
 9163TIP3   OH233797   4.351  -3.572   0.748
 9163TIP3    H133798   4.380  -3.638   0.682
 9163TIP3    H233799   4.272  -3.616   0.783
 9164TIP3   OH233800   4.050  -3.970   0.209
 9164TIP3    H133801   3.957  -3.963   0.236
 9164TIP3    H233802   4.095  -3.955   0.294
 9165TIP3   OH233803   3.509  -3.826   0.082
 9165TIP3    H133804   3.427  -3.799   0.036
 9165TIP3    H233805   3.535  -3.908   0.035
 9166TIP3   OH233806   3.869  -3.791  -0.149
 9166TIP3    H133807   3.966  -3.784  -0.145
 9166TIP3    H233808   3.844  -3.732  -0.222
 9167TIP3   OH233809   3.722  -3.670  -0.374
 9167TIP3    H133810   3.662  -3.694  -0.446
 9167TIP3    H233811   3.804  -3.654  -0.424
 9168TIP3   OH233812   3.582  -3.193   1.124
 9168TIP3    H133813   3.650  -3.186   1.195
 9168TIP3    H233814   3.502  -3.197   1.180
 9169TIP3   OH233815   4.139  -3.734   0.356
 9169TIP3    H133816   4.216  -3.765   0.309
 9169TIP3    H233817   4.165  -3.746   0.449
 9170TIP3   OH233818   3.667  -4.066   0.020
 9170TIP3    H133819   3.621  -4.151   0.031
 9170TIP3    H233820   3.751  -4.094  -0.020
 9171TIP3   OH233821   4.049  -3.859   0.628
 9171TIP3    H133822   3.980  -3.793   0.609
 9171TIP3    H233823   4.100  -3.815   0.698
 9172TIP3   OH233824   4.073  -3.225  -0.185
 9172TIP3    H133825   3.994  -3.270  -0.222
 9172TIP3    H233826   4.049  -3.214  -0.090
 9173TIP3   OH233827   4.205  -3.224   0.938
 9173TIP3    H133828   4.184  -3.234   1.031
 9173TIP3    H233829   4.214  -3.128   0.927
 9174TIP3   OH233830   3.580  -3.270   0.393
 9174TIP3    H133831   3.635  -3.281   0.314
 9174TIP3    H233832   3.589  -3.356   0.437
 9175TIP3   OH233833   4.286  -3.082  -0.289
 9175TIP3    H133834   4.260  -2.993  -0.259
 9175TIP3    H233835   4.211  -3.135  -0.256
 9176TIP3   OH233836   3.303  -3.443   0.920
 9176TIP3    H133837   3.319  -3.489   1.005
 9176TIP3    H233838   3.244  -3.504   0.873
 9177TIP3   OH233839   4.002  -3.492   1.122
 9177TIP3    H133840   3.966  -3.523   1.037
 9177TIP3    H233841   4.095  -3.518   1.112
 9178TIP3   OH233842   3.815  -2.942   0.119
 9178TIP3    H133843   3.858  -2.856   0.106
 9178TIP3    H233844   3.723  -2.923   0.094
 9179TIP3   OH233845   3.415  -3.463  -0.420
 9179TIP3    H133846   3.473  -3.394  -0.381
 9179TIP3    H233847   3.328  -3.435  -0.388
 9180TIP3   OH233848   3.995  -3.174   0.079
 9180TIP3    H133849   3.968  -3.082   0.095
 9180TIP3    H233850   3.924  -3.223   0.122
 9181TIP3   OH233851   4.020  -2.743   0.721
 9181TIP3    H133852   4.079  -2.673   0.686
 9181TIP3    H233853   4.083  -2.798   0.769
 9182TIP3   OH233854   3.859  -2.652   0.041
 9182TIP3    H133855   3.763  -2.637   0.049
 9182TIP3    H233856   3.895  -2.564   0.063
 9183TIP3   OH233857   3.437  -3.961   0.879
 9183TIP3    H133858   3.346  -3.943   0.847
 9183TIP3    H233859   3.422  -4.047   0.922
 9184TIP3   OH233860   3.414  -2.802   0.721
 9184TIP3    H133861   3.440  -2.894   0.735
 9184TIP3    H233862   3.435  -2.765   0.808
 9185TIP3   OH233863   3.994  -2.933  -0.577
 9185TIP3    H133864   4.030  -3.010  -0.626
 9185TIP3    H233865   3.957  -2.977  -0.499
 9186TIP3   OH233866   3.887  -2.990  -0.303
 9186TIP3    H133867   3.934  -3.040  -0.235
 9186TIP3    H233868   3.899  -2.898  -0.272
 9187TIP3   OH233869   3.567  -3.241  -0.266
 9187TIP3    H133870   3.493  -3.203  -0.214
 9187TIP3    H233871   3.612  -3.160  -0.295
 9188TIP3   OH233872   4.330  -3.929   0.794
 9188TIP3    H133873   4.391  -4.003   0.782
 9188TIP3    H233874   4.269  -3.954   0.722
 9189TIP3   OH233875   4.169  -2.822  -0.249
 9189TIP3    H133876   4.088  -2.773  -0.229
 9189TIP3    H233877   4.209  -2.769  -0.318
 9190TIP3   OH233878   4.133  -3.868  -0.042
 9190TIP3    H133879   4.195  -3.796  -0.014
 9190TIP3    H233880   4.097  -3.889   0.046
 9191TIP3   OH233881   4.147  -3.763   0.891
 9191TIP3    H133882   4.184  -3.702   0.956
 9191TIP3    H233883   4.221  -3.826   0.876
 9192TIP3   OH233884   4.203  -4.171   0.088
 9192TIP3    H133885   4.170  -4.084   0.121
 9192TIP3    H233886   4.269  -4.146   0.021
 9193TIP3   OH233887   3.895  -2.717  -0.244
 9193TIP3    H133888   3.889  -2.636  -0.298
 9193TIP3    H233889   3.882  -2.682  -0.154
 9194TIP3   OH233890   3.766  -4.050  -0.292
 9194TIP3    H133891   3.767  -3.968  -0.240
 9194TIP3    H233892   3.855  -4.084  -0.272
 9195TIP3   OH233893   3.611  -2.961  -0.389
 9195TIP3    H133894   3.685  -2.911  -0.349
 9195TIP3    H233895   3.659  -3.010  -0.456
 9196TIP3   OH233896   3.424  -3.743  -0.479
 9196TIP3    H133897   3.436  -3.649  -0.456
 9196TIP3    H233898   3.337  -3.743  -0.520
 9197TIP3   OH233899   3.435  -4.242   0.417
 9197TIP3    H133900   3.476  -4.243   0.330
 9197TIP3    H233901   3.457  -4.332   0.446
 9198TIP3   OH233902   3.407  -2.888   0.029
 9198TIP3    H133903   3.327  -2.838   0.052
 9198TIP3    H233904   3.441  -2.836  -0.045
 9199TIP3   OH233905   3.346  -2.597   1.140
 9199TIP3    H133906   3.404  -2.625   1.213
 9199TIP3    H233907   3.307  -2.682   1.112
 9200TIP3   OH233908   3.818  -2.689   1.319
 9200TIP3    H133909   3.882  -2.758   1.342
 9200TIP3    H233910   3.790  -2.718   1.231
 9201TIP3   OH233911   4.230  -2.768  -0.544
 9201TIP3    H133912   4.147  -2.820  -0.545
 9201TIP3    H233913   4.294  -2.841  -0.559
 9202TIP3   OH233914   3.341  -3.235   1.254
 9202TIP3    H133915   3.350  -3.326   1.221
 9202TIP3    H233916   3.264  -3.204   1.203
 9203TIP3   OH233917   3.763  -3.192  -0.543
 9203TIP3    H133918   3.779  -3.251  -0.468
 9203TIP3    H233919   3.848  -3.196  -0.589
 9204TIP3   OH233920   4.007  -3.214   1.187
 9204TIP3    H133921   3.979  -3.182   1.099
 9204TIP3    H233922   4.015  -3.310   1.173
 9205TIP3   OH233923   4.261  -3.060  -0.589
 9205TIP3    H133924   4.278  -3.050  -0.494
 9205TIP3    H233925   4.242  -3.155  -0.595
 9206TIP3   OH233926   3.428  -3.522   1.172
 9206TIP3    H133927   3.502  -3.585   1.173
 9206TIP3    H233928   3.422  -3.500   1.266
 9207TIP3   OH233929   3.871  -3.386  -0.312
 9207TIP3    H133930   3.809  -3.436  -0.257
 9207TIP3    H233931   3.902  -3.457  -0.373
 9208TIP3   OH233932   3.797  -3.604   0.920
 9208TIP3    H133933   3.739  -3.527   0.934
 9208TIP3    H233934   3.852  -3.574   0.846
 9209TIP3   OH233935   3.979  -3.585  -0.481
 9209TIP3    H133936   3.969  -3.579  -0.578
 9209TIP3    H233937   4.074  -3.572  -0.471
 9210TIP3   OH233938   4.283  -3.359   1.287
 9210TIP3    H133939   4.353  -3.389   1.228
 9210TIP3    H233940   4.266  -3.440   1.337
 9211TIP3   OH233941   3.853  -3.879   1.029
 9211TIP3    H133942   3.863  -3.942   0.957
 9211TIP3    H233943   3.840  -3.796   0.980
 9212TIP3   OH233944   3.891  -4.037   0.767
 9212TIP3    H133945   3.942  -3.978   0.708
 9212TIP3    H233946   3.800  -4.025   0.734
 9213TIP3   OH233947   4.068  -3.493   0.804
 9213TIP3    H133948   4.136  -3.491   0.736
 9213TIP3    H233949   4.029  -3.405   0.793
 9214TIP3   OH233950   3.675  -3.698   1.212
 9214TIP3    H133951   3.622  -3.780   1.209
 9214TIP3    H233952   3.754  -3.725   1.162
 9215TIP3   OH233953   3.934  -4.272   0.893
 9215TIP3    H133954   3.944  -4.183   0.852
 9215TIP3    H233955   3.844  -4.291   0.865
 9216TIP3   OH233956   4.106  -3.856   1.184
 9216TIP3    H133957   4.069  -3.887   1.268
 9216TIP3    H233958   4.031  -3.875   1.124
 9217TIP3   OH233959   3.552  -3.959   1.196
 9217TIP3    H133960   3.526  -4.020   1.124
 9217TIP3    H233961   3.507  -3.998   1.273
 9218TIP3   OH233962   4.054  -4.146   1.300
 9218TIP3    H133963   4.028  -4.228   1.255
 9218TIP3    H233964   3.970  -4.096   1.303
 9219TIP3   OH233965   3.956  -2.458  -0.369
 9219TIP3    H133966   4.053  -2.456  -0.369
 9219TIP3    H233967   3.937  -2.417  -0.454
 9220TIP3   OH233968   3.335  -3.021  -0.419
 9220TIP3    H133969   3.430  -3.002  -0.408
 9220TIP3    H233970   3.335  -3.098  -0.479
 9221TIP3   OH233971   3.234  -2.500   0.051
 9221TIP3    H133972   3.163  -2.537  -0.004
 9221TIP3    H233973   3.242  -2.569   0.121
 9222TIP3   OH233974   3.273  -2.698   0.251
 9222TIP3    H133975   3.243  -2.786   0.281
 9222TIP3    H233976   3.305  -2.663   0.335
 9223TIP3   OH233977   3.280  -3.364   0.491
 9223TIP3    H133978   3.305  -3.359   0.397
 9223TIP3    H233979   3.367  -3.386   0.531
 9224TIP3   OH233980   3.267  -3.836   1.147
 9224TIP3    H133981   3.358  -3.859   1.125
 9224TIP3    H233982   3.222  -3.921   1.140
 9225TIP3   OH233983   3.341  -3.990   0.412
 9225TIP3    H133984   3.372  -4.082   0.421
 9225TIP3    H233985   3.417  -3.940   0.448
 9226TIP3   OH233986   3.202  -3.728   0.515
 9226TIP3    H133987   3.261  -3.733   0.438
 9226TIP3    H233988   3.240  -3.652   0.562
 9227TIP3   OH233989   3.256  -4.103  -0.080
 9227TIP3    H133990   3.161  -4.094  -0.099
 9227TIP3    H233991   3.295  -4.034  -0.137
 9228TIP3   OH233992   3.233  -4.126   0.773
 9228TIP3    H133993   3.233  -4.221   0.799
 9228TIP3    H233994   3.213  -4.134   0.678
 9229TIP3   OH233995   3.456  -2.892   1.205
 9229TIP3    H133996   3.384  -2.900   1.140
 9229TIP3    H233997   3.408  -2.903   1.289
 9230TIP3   OH233998   3.740  -2.797   0.772
 9230TIP3    H133999   3.710  -2.713   0.736
 9230TIP3    H234000   3.836  -2.789   0.755
 9231TIP3   OH234001   4.219  -2.633   1.062
 9231TIP3    H134002   4.205  -2.672   1.150
 9231TIP3    H234003   4.314  -2.614   1.067
 9232TIP3   OH234004   3.480  -2.498   0.806
 9232TIP3    H134005   3.417  -2.440   0.760
 9232TIP3    H234006   3.439  -2.504   0.893
 9233TIP3   OH234007   3.730  -2.522   0.665
 9233TIP3    H134008   3.643  -2.507   0.707
 9233TIP3    H234009   3.730  -2.457   0.592
 9234TIP3   OH234010   4.195  -2.548   0.618
 9234TIP3    H134011   4.178  -2.500   0.535
 9234TIP3    H234012   4.258  -2.490   0.663
 9235TIP3   OH234013   3.438  -2.621   0.502
 9235TIP3    H134014   3.434  -2.673   0.585
 9235TIP3    H234015   3.510  -2.668   0.455
 9236TIP3   OH234016   3.636  -2.747   0.345
 9236TIP3    H134017   3.621  -2.841   0.369
 9236TIP3    H234018   3.728  -2.734   0.375
 9237TIP3   OH234019   3.913  -2.698   0.432
 9237TIP3    H134020   3.935  -2.790   0.408
 9237TIP3    H234021   3.921  -2.703   0.529
 9238TIP3   OH234022   4.258  -4.142   0.369
 9238TIP3    H134023   4.180  -4.198   0.385
 9238TIP3    H234024   4.288  -4.176   0.284
 9239TIP3   OH234025   3.478  -4.282   0.093
 9239TIP3    H134026   3.387  -4.306   0.072
 9239TIP3    H234027   3.513  -4.365   0.127
 9240TIP3   OH234028   3.337  -4.291  -0.282
 9240TIP3    H134029   3.383  -4.245  -0.354
 9240TIP3    H234030   3.302  -4.216  -0.230
 9241TIP3   OH234031   3.934  -4.248   0.100
 9241TIP3    H134032   4.029  -4.225   0.105
 9241TIP3    H234033   3.919  -4.288   0.186
 9242TIP3   OH234034   3.381  -2.696  -0.177
 9242TIP3    H134035   3.316  -2.710  -0.248
 9242TIP3    H234036   3.378  -2.599  -0.170
 9243TIP3   OH234037   3.529  -4.124  -0.442
 9243TIP3    H134038   3.599  -4.163  -0.497
 9243TIP3    H234039   3.582  -4.074  -0.378
 9244TIP3   OH234040   4.053  -4.063  -0.217
 9244TIP3    H134041   4.065  -4.149  -0.172
 9244TIP3    H234042   4.064  -3.998  -0.145
 9245TIP3   OH234043   4.263  -2.532  -0.369
 9245TIP3    H134044   4.352  -2.495  -0.387
 9245TIP3    H234045   4.249  -2.591  -0.445
 9246TIP3   OH234046   3.441  -4.178   1.041
 9246TIP3    H134047   3.395  -4.258   1.071
 9246TIP3    H234048   3.529  -4.216   1.026
 9247TIP3   OH234049   3.733  -4.278   1.305
 9247TIP3    H134050   3.820  -4.304   1.267
 9247TIP3    H234051   3.708  -4.359   1.351
 9248TIP3   OH234052   3.524  -2.602  -0.497
 9248TIP3    H134053   3.498  -2.574  -0.408
 9248TIP3    H234054   3.600  -2.659  -0.481
 9249TIP3   OH234055  -3.162  -1.481   0.142
 9249TIP3    H134056  -3.157  -1.385   0.157
 9249TIP3    H234057  -3.242  -1.487   0.090
 9250TIP3   OH234058  -3.266  -1.533   0.451
 9250TIP3    H134059  -3.265  -1.585   0.534
 9250TIP3    H234060  -3.288  -1.599   0.384
 9251TIP3   OH234061  -4.031  -1.577   0.619
 9251TIP3    H134062  -4.030  -1.651   0.682
 9251TIP3    H234063  -3.956  -1.524   0.650
 9252TIP3   OH234064  -2.904  -1.249   0.301
 9252TIP3    H134065  -2.936  -1.315   0.363
 9252TIP3    H234066  -2.893  -1.172   0.357
 9253TIP3   OH234067  -3.958  -1.116   0.470
 9253TIP3    H134068  -3.982  -1.205   0.439
 9253TIP3    H234069  -3.861  -1.126   0.480
 9254TIP3   OH234070  -4.297  -1.737   0.068
 9254TIP3    H134071  -4.300  -1.653   0.117
 9254TIP3    H234072  -4.389  -1.762   0.059
 9255TIP3   OH234073  -4.211  -1.517   0.202
 9255TIP3    H134074  -4.176  -1.590   0.258
 9255TIP3    H234075  -4.129  -1.480   0.167
 9256TIP3   OH234076  -3.419  -1.290   0.514
 9256TIP3    H134077  -3.380  -1.361   0.460
 9256TIP3    H234078  -3.338  -1.267   0.565
 9257TIP3   OH234079  -2.558  -2.131   0.565
 9257TIP3    H134080  -2.533  -2.078   0.643
 9257TIP3    H234081  -2.487  -2.108   0.502
 9258TIP3   OH234082  -3.099  -1.854   0.559
 9258TIP3    H134083  -3.082  -1.949   0.562
 9258TIP3    H234084  -3.104  -1.838   0.463
 9259TIP3   OH234085  -3.803  -2.052   0.267
 9259TIP3    H134086  -3.784  -1.966   0.222
 9259TIP3    H234087  -3.834  -2.105   0.191
 9260TIP3   OH234088  -3.013  -2.034   0.098
 9260TIP3    H134089  -2.958  -2.075   0.168
 9260TIP3    H234090  -2.944  -1.992   0.044
 9261TIP3   OH234091  -4.140  -1.775   0.328
 9261TIP3    H134092  -4.074  -1.821   0.382
 9261TIP3    H234093  -4.128  -1.819   0.242
 9262TIP3   OH234094  -3.592  -1.638   0.261
 9262TIP3    H134095  -3.521  -1.691   0.302
 9262TIP3    H234096  -3.644  -1.707   0.216
 9263TIP3   OH234097  -2.504  -2.005   0.811
 9263TIP3    H134098  -2.526  -1.914   0.787
 9263TIP3    H234099  -2.488  -1.994   0.905
 9264TIP3   OH234100  -3.920  -2.171   0.683
 9264TIP3    H134101  -3.962  -2.125   0.610
 9264TIP3    H234102  -3.981  -2.152   0.757
 9265TIP3   OH234103  -3.173  -1.204   0.025
 9265TIP3    H134104  -3.211  -1.214  -0.061
 9265TIP3    H234105  -3.202  -1.114   0.050
 9266TIP3   OH234106  -3.628  -1.385   0.694
 9266TIP3    H134107  -3.698  -1.320   0.716
 9266TIP3    H234108  -3.561  -1.329   0.650
 9267TIP3   OH234109  -2.832  -2.104   0.307
 9267TIP3    H134110  -2.864  -2.164   0.375
 9267TIP3    H234111  -2.768  -2.050   0.357
 9268TIP3   OH234112  -3.959  -1.965   0.475
 9268TIP3    H134113  -3.894  -1.909   0.522
 9268TIP3    H234114  -3.901  -2.002   0.405
 9269TIP3   OH234115  -3.829  -1.197   0.769
 9269TIP3    H134116  -3.827  -1.109   0.727
 9269TIP3    H234117  -3.918  -1.196   0.809
 9270TIP3   OH234118  -4.185  -1.237  -0.147
 9270TIP3    H134119  -4.268  -1.217  -0.195
 9270TIP3    H234120  -4.186  -1.171  -0.075
 9271TIP3   OH234121  -2.815  -2.198   0.683
 9271TIP3    H134122  -2.891  -2.156   0.639
 9271TIP3    H234123  -2.741  -2.174   0.624
 9272TIP3   OH234124  -3.506  -2.423   0.389
 9272TIP3    H134125  -3.527  -2.519   0.386
 9272TIP3    H234126  -3.588  -2.386   0.428
 9273TIP3   OH234127  -2.865  -1.087   0.029
 9273TIP3    H134128  -2.936  -1.139  -0.008
 9273TIP3    H234129  -2.879  -1.102   0.124
 9274TIP3   OH234130  -3.320  -1.481  -0.153
 9274TIP3    H134131  -3.369  -1.507  -0.231
 9274TIP3    H234132  -3.228  -1.501  -0.181
 9275TIP3   OH234133  -3.277  -1.708  -0.422
 9275TIP3    H134134  -3.203  -1.680  -0.365
 9275TIP3    H234135  -3.230  -1.769  -0.481
 9276TIP3   OH234136  -2.948  -1.534  -0.024
 9276TIP3    H134137  -3.009  -1.508   0.049
 9276TIP3    H234138  -2.880  -1.583   0.027
 9277TIP3   OH234139  -2.958  -1.680   0.863
 9277TIP3    H134140  -2.964  -1.610   0.930
 9277TIP3    H234141  -3.010  -1.641   0.791
 9278TIP3   OH234142  -3.791  -1.458   0.154
 9278TIP3    H134143  -3.810  -1.502   0.069
 9278TIP3    H234144  -3.719  -1.512   0.190
 9279TIP3   OH234145  -3.668  -1.130   0.439
 9279TIP3    H134146  -3.654  -1.132   0.343
 9279TIP3    H234147  -3.576  -1.137   0.471
 9280TIP3   OH234148  -3.729  -1.568   0.504
 9280TIP3    H134149  -3.670  -1.565   0.426
 9280TIP3    H234150  -3.688  -1.502   0.563
 9281TIP3   OH234151  -3.647  -1.144   0.993
 9281TIP3    H134152  -3.695  -1.069   1.033
 9281TIP3    H234153  -3.704  -1.165   0.916
 9282TIP3   OH234154  -3.065  -1.575  -0.273
 9282TIP3    H134155  -3.011  -1.556  -0.193
 9282TIP3    H234156  -3.009  -1.531  -0.342
 9283TIP3   OH234157  -3.957  -1.506   0.906
 9283TIP3    H134158  -3.946  -1.443   0.979
 9283TIP3    H234159  -4.053  -1.506   0.893
 9284TIP3   OH234160  -3.283  -0.916   0.082
 9284TIP3    H134161  -3.227  -0.893   0.158
 9284TIP3    H234162  -3.344  -0.841   0.079
 9285TIP3   OH234163  -3.836  -0.919   1.073
 9285TIP3    H134164  -3.838  -0.912   0.976
 9285TIP3    H234165  -3.927  -0.942   1.096
 9286TIP3   OH234166  -2.706  -2.408  -0.331
 9286TIP3    H134167  -2.790  -2.400  -0.282
 9286TIP3    H234168  -2.668  -2.319  -0.321
 9287TIP3   OH234169  -3.871  -1.571  -0.096
 9287TIP3    H134170  -3.905  -1.497  -0.148
 9287TIP3    H234171  -3.934  -1.641  -0.119
 9288TIP3   OH234172  -4.273  -1.296   0.762
 9288TIP3    H134173  -4.288  -1.328   0.671
 9288TIP3    H234174  -4.301  -1.374   0.813
 9289TIP3   OH234175  -4.285  -1.023   0.462
 9289TIP3    H134176  -4.195  -1.056   0.474
 9289TIP3    H234177  -4.296  -0.965   0.538
 9290TIP3   OH234178  -3.375  -1.040   0.938
 9290TIP3    H134179  -3.372  -0.950   0.972
 9290TIP3    H234180  -3.469  -1.064   0.951
 9291TIP3   OH234181  -3.359  -0.650  -0.082
 9291TIP3    H134182  -3.339  -0.632  -0.175
 9291TIP3    H234183  -3.343  -0.565  -0.038
 9292TIP3   OH234184  -3.979  -0.742   0.097
 9292TIP3    H134185  -3.945  -0.777   0.182
 9292TIP3    H234186  -4.059  -0.795   0.086
 9293TIP3   OH234187  -3.015  -0.713  -0.356
 9293TIP3    H134188  -2.970  -0.790  -0.395
 9293TIP3    H234189  -3.013  -0.736  -0.260
 9294TIP3   OH234190  -3.066  -0.759  -0.070
 9294TIP3    H134191  -3.159  -0.757  -0.043
 9294TIP3    H234192  -3.029  -0.810   0.004
 9295TIP3   OH234193  -2.798  -1.833   1.098
 9295TIP3    H134194  -2.817  -1.787   1.016
 9295TIP3    H234195  -2.770  -1.921   1.066
 9296TIP3   OH234196  -4.076  -1.154   0.917
 9296TIP3    H134197  -4.040  -1.217   0.981
 9296TIP3    H234198  -4.147  -1.204   0.872
 9297TIP3   OH234199  -3.749  -2.310   0.483
 9297TIP3    H134200  -3.831  -2.317   0.432
 9297TIP3    H234201  -3.770  -2.235   0.541
 9298TIP3   OH234202  -3.311  -2.351   0.849
 9298TIP3    H134203  -3.257  -2.404   0.911
 9298TIP3    H234204  -3.401  -2.387   0.860
 9299TIP3   OH234205  -2.999  -1.975   0.889
 9299TIP3    H134206  -3.048  -1.986   0.972
 9299TIP3    H234207  -2.994  -1.878   0.879
 9300TIP3   OH234208  -2.900  -1.479  -0.476
 9300TIP3    H134209  -2.914  -1.502  -0.569
 9300TIP3    H234210  -2.805  -1.458  -0.477
 9301TIP3   OH234211  -3.335  -2.095  -0.427
 9301TIP3    H134212  -3.377  -2.115  -0.342
 9301TIP3    H234213  -3.369  -2.167  -0.482
 9302TIP3   OH234214  -3.766  -1.829   0.620
 9302TIP3    H134215  -3.815  -1.814   0.702
 9302TIP3    H234216  -3.752  -1.738   0.587
 9303TIP3   OH234217  -3.773  -1.822   0.110
 9303TIP3    H134218  -3.868  -1.835   0.092
 9303TIP3    H234219  -3.735  -1.840   0.022
 9304TIP3   OH234220  -3.214  -1.758  -0.019
 9304TIP3    H134221  -3.254  -1.677  -0.052
 9304TIP3    H234222  -3.138  -1.770  -0.078
 9305TIP3   OH234223  -3.288  -1.743   1.130
 9305TIP3    H134224  -3.339  -1.821   1.159
 9305TIP3    H234225  -3.200  -1.762   1.166
 9306TIP3   OH234226  -3.127  -1.827   0.266
 9306TIP3    H134227  -3.149  -1.766   0.193
 9306TIP3    H234228  -3.099  -1.905   0.213
 9307TIP3   OH234229  -4.036  -1.811   0.811
 9307TIP3    H134230  -3.990  -1.777   0.888
 9307TIP3    H234231  -4.050  -1.904   0.835
 9308TIP3   OH234232  -3.690  -2.041  -0.529
 9308TIP3    H134233  -3.724  -2.088  -0.451
 9308TIP3    H234234  -3.765  -2.041  -0.589
 9309TIP3   OH234235  -4.327  -2.051   0.167
 9309TIP3    H134236  -4.308  -2.072   0.260
 9309TIP3    H234237  -4.280  -2.122   0.122
 9310TIP3   OH234238  -4.199  -2.018  -0.242
 9310TIP3    H134239  -4.146  -1.990  -0.320
 9310TIP3    H234240  -4.283  -1.974  -0.261
 9311TIP3   OH234241  -3.220  -1.662   0.712
 9311TIP3    H134242  -3.168  -1.727   0.662
 9311TIP3    H234243  -3.240  -1.711   0.793
 9312TIP3   OH234244  -3.492  -2.063   0.213
 9312TIP3    H134245  -3.585  -2.069   0.241
 9312TIP3    H234246  -3.445  -2.079   0.297
 9313TIP3   OH234247  -4.036  -1.934   0.072
 9313TIP3    H134248  -4.127  -1.932   0.040
 9313TIP3    H234249  -4.003  -2.019   0.038
 9314TIP3   OH234250  -3.672  -1.908  -0.151
 9314TIP3    H134251  -3.576  -1.903  -0.140
 9314TIP3    H234252  -3.693  -1.840  -0.217
 9315TIP3   OH234253  -3.052  -2.149   0.518
 9315TIP3    H134254  -3.117  -2.148   0.591
 9315TIP3    H234255  -3.108  -2.181   0.446
 9316TIP3   OH234256  -3.835  -1.772  -0.374
 9316TIP3    H134257  -3.882  -1.815  -0.447
 9316TIP3    H234258  -3.749  -1.754  -0.414
 9317TIP3   OH234259  -2.752  -0.555   1.165
 9317TIP3    H134260  -2.722  -0.521   1.080
 9317TIP3    H234261  -2.672  -0.547   1.219
 9318TIP3   OH234262  -3.956  -1.314   1.125
 9318TIP3    H134263  -3.889  -1.308   1.197
 9318TIP3    H234264  -4.037  -1.297   1.178
 9319TIP3   OH234265  -3.392  -1.810   0.393
 9319TIP3    H134266  -3.312  -1.843   0.351
 9319TIP3    H234267  -3.401  -1.869   0.471
 9320TIP3   OH234268  -3.873  -2.172   0.021
 9320TIP3    H134269  -3.914  -2.259   0.026
 9320TIP3    H234270  -3.790  -2.192  -0.025
 9321TIP3   OH234271  -3.495  -1.968   0.623
 9321TIP3    H134272  -3.567  -1.902   0.622
 9321TIP3    H234273  -3.442  -1.941   0.700
 9322TIP3   OH234274  -3.062  -2.042  -0.410
 9322TIP3    H134275  -3.160  -2.040  -0.414
 9322TIP3    H234276  -3.040  -1.968  -0.349
 9323TIP3   OH234277  -3.321  -1.332   0.939
 9323TIP3    H134278  -3.341  -1.350   1.031
 9323TIP3    H234279  -3.328  -1.235   0.934
 9324TIP3   OH234280  -2.996  -1.855  -0.208
 9324TIP3    H134281  -2.912  -1.876  -0.162
 9324TIP3    H234282  -2.975  -1.770  -0.251
 9325TIP3   OH234283  -3.979  -1.396   0.380
 9325TIP3    H134284  -3.909  -1.397   0.312
 9325TIP3    H234285  -3.956  -1.474   0.433
 9326TIP3   OH234286  -3.267  -1.202  -0.305
 9326TIP3    H134287  -3.281  -1.111  -0.269
 9326TIP3    H234288  -3.301  -1.258  -0.234
 9327TIP3   OH234289  -4.245  -1.539   0.949
 9327TIP3    H134290  -4.228  -1.606   1.017
 9327TIP3    H234291  -4.289  -1.592   0.878
 9328TIP3   OH234292  -3.542  -1.610   1.118
 9328TIP3    H134293  -3.571  -1.629   1.027
 9328TIP3    H234294  -3.448  -1.635   1.111
 9329TIP3   OH234295  -3.072  -1.090   0.922
 9329TIP3    H134296  -3.145  -1.057   0.869
 9329TIP3    H234297  -3.066  -1.027   0.994
 9330TIP3   OH234298  -2.559  -1.842  -0.214
 9330TIP3    H134299  -2.597  -1.868  -0.299
 9330TIP3    H234300  -2.543  -1.747  -0.231
 9331TIP3   OH234301  -2.720  -1.009  -0.265
 9331TIP3    H134302  -2.738  -1.043  -0.175
 9331TIP3    H234303  -2.626  -1.027  -0.275
 9332TIP3   OH234304  -2.981  -1.474   0.554
 9332TIP3    H134305  -3.068  -1.481   0.511
 9332TIP3    H234306  -2.924  -1.527   0.496
 9333TIP3   OH234307  -3.728  -1.057   0.117
 9333TIP3    H134308  -3.679  -0.974   0.118
 9333TIP3    H234309  -3.817  -1.027   0.097
 9334TIP3   OH234310  -4.154  -1.562  -0.408
 9334TIP3    H134311  -4.086  -1.503  -0.370
 9334TIP3    H234312  -4.235  -1.513  -0.389
 9335TIP3   OH234313  -3.555  -1.288   0.028
 9335TIP3    H134314  -3.562  -1.198   0.065
 9335TIP3    H234315  -3.598  -1.339   0.098
 9336TIP3   OH234316  -3.527  -0.858   0.730
 9336TIP3    H134317  -3.496  -0.804   0.656
 9336TIP3    H234318  -3.448  -0.908   0.753
 9337TIP3   OH234319  -3.685  -0.768   0.016
 9337TIP3    H134320  -3.774  -0.749   0.048
 9337TIP3    H234321  -3.631  -0.717   0.079
 9338TIP3   OH234322  -3.184  -1.285   0.662
 9338TIP3    H134323  -3.191  -1.283   0.758
 9338TIP3    H234324  -3.096  -1.322   0.648
 9339TIP3   OH234325  -2.970  -1.160  -0.426
 9339TIP3    H134326  -2.923  -1.199  -0.350
 9339TIP3    H234327  -3.061  -1.182  -0.402
 9340TIP3   OH234328  -4.101  -2.084   0.884
 9340TIP3    H134329  -4.188  -2.045   0.864
 9340TIP3    H234330  -4.122  -2.170   0.926
 9341TIP3   OH234331  -2.861  -1.295  -0.198
 9341TIP3    H134332  -2.887  -1.360  -0.131
 9341TIP3    H234333  -2.768  -1.280  -0.175
 9342TIP3   OH234334  -4.134  -0.913   0.728
 9342TIP3    H134335  -4.105  -1.005   0.732
 9342TIP3    H234336  -4.090  -0.877   0.807
 9343TIP3   OH234337  -3.558  -1.053  -0.563
 9343TIP3    H134338  -3.518  -1.125  -0.615
 9343TIP3    H234339  -3.558  -1.089  -0.474
 9344TIP3   OH234340  -3.978  -1.348  -0.273
 9344TIP3    H134341  -4.054  -1.321  -0.216
 9344TIP3    H234342  -3.945  -1.258  -0.296
 9345TIP3   OH234343  -3.213  -2.108   0.736
 9345TIP3    H134344  -3.147  -2.079   0.801
 9345TIP3    H234345  -3.257  -2.182   0.781
 9346TIP3   OH234346  -3.149  -2.160  -0.139
 9346TIP3    H134347  -3.123  -2.110  -0.218
 9346TIP3    H234348  -3.099  -2.115  -0.069
 9347TIP3   OH234349  -3.371  -0.949  -0.260
 9347TIP3    H134350  -3.438  -0.897  -0.213
 9347TIP3    H234351  -3.315  -0.878  -0.296
 9348TIP3   OH234352  -3.408  -1.960  -0.044
 9348TIP3    H134353  -3.329  -1.904  -0.031
 9348TIP3    H234354  -3.432  -1.982   0.049
 9349TIP3   OH234355  -3.375  -1.879   0.876
 9349TIP3    H134356  -3.362  -1.822   0.953
 9349TIP3    H234357  -3.313  -1.951   0.892
 9350TIP3   OH234358  -3.348  -2.263   0.048
 9350TIP3    H134359  -3.364  -2.197   0.118
 9350TIP3    H234360  -3.272  -2.223   0.001
 9351TIP3   OH234361  -3.669  -0.855  -0.259
 9351TIP3    H134362  -3.657  -0.770  -0.305
 9351TIP3    H234363  -3.669  -0.826  -0.165
 9352TIP3   OH234364  -3.774  -2.163  -0.292
 9352TIP3    H134365  -3.764  -2.082  -0.237
 9352TIP3    H234366  -3.692  -2.212  -0.267
 9353TIP3   OH234367  -2.745  -2.072   0.965
 9353TIP3    H134368  -2.838  -2.064   0.936
 9353TIP3    H234369  -2.702  -2.087   0.878
 9354TIP3   OH234370  -2.886  -1.691   0.363
 9354TIP3    H134371  -2.968  -1.738   0.340
 9354TIP3    H234372  -2.833  -1.761   0.409
 9355TIP3   OH234373  -3.905  -1.084  -0.369
 9355TIP3    H134374  -3.853  -1.005  -0.343
 9355TIP3    H234375  -3.862  -1.108  -0.451
 9356TIP3   OH234376  -4.114  -1.859  -0.474
 9356TIP3    H134377  -4.112  -1.765  -0.451
 9356TIP3    H234378  -4.196  -1.870  -0.522
 9357TIP3   OH234379  -4.030  -2.359   0.398
 9357TIP3    H134380  -4.058  -2.364   0.305
 9357TIP3    H234381  -4.068  -2.442   0.435
 9358TIP3   OH234382  -4.141  -1.004   0.022
 9358TIP3    H134383  -4.227  -0.959   0.030
 9358TIP3    H234384  -4.099  -0.954  -0.049
 9359TIP3   OH234385  -4.215  -0.719   1.148
 9359TIP3    H134386  -4.151  -0.720   1.222
 9359TIP3    H234387  -4.214  -0.814   1.130
 9360TIP3   OH234388  -3.722  -0.806   1.325
 9360TIP3    H134389  -3.655  -0.875   1.339
 9360TIP3    H234390  -3.749  -0.827   1.234
 9361TIP3   OH234391  -3.309  -0.883  -0.550
 9361TIP3    H134392  -3.390  -0.934  -0.533
 9361TIP3    H234393  -3.248  -0.956  -0.569
 9362TIP3   OH234394  -3.073  -0.957   1.214
 9362TIP3    H134395  -3.108  -1.048   1.217
 9362TIP3    H234396  -2.982  -0.971   1.242
 9363TIP3   OH234397  -2.877  -0.910  -0.566
 9363TIP3    H134398  -2.864  -0.964  -0.487
 9363TIP3    H234399  -2.790  -0.867  -0.578
 9364TIP3   OH234400  -4.203  -1.316   1.217
 9364TIP3    H134401  -4.185  -1.401   1.174
 9364TIP3    H234402  -4.283  -1.286   1.171
 9365TIP3   OH234403  -3.738  -1.327  -0.493
 9365TIP3    H134404  -3.792  -1.406  -0.510
 9365TIP3    H234405  -3.690  -1.316  -0.578
 9366TIP3   OH234406  -3.542  -1.331   1.191
 9366TIP3    H134407  -3.564  -1.294   1.104
 9366TIP3    H234408  -3.530  -1.426   1.172
 9367TIP3   OH234409  -3.265  -1.170  -0.585
 9367TIP3    H134410  -3.254  -1.176  -0.489
 9367TIP3    H234411  -3.253  -1.265  -0.609
 9368TIP3   OH234412  -4.136  -1.647   1.187
 9368TIP3    H134413  -4.055  -1.699   1.173
 9368TIP3    H234414  -4.121  -1.614   1.276
 9369TIP3   OH234415  -3.755  -1.724   0.909
 9369TIP3    H134416  -3.803  -1.642   0.932
 9369TIP3    H234417  -3.682  -1.689   0.855
 9370TIP3   OH234418  -3.563  -1.639  -0.461
 9370TIP3    H134419  -3.582  -1.660  -0.554
 9370TIP3    H234420  -3.473  -1.674  -0.452
 9371TIP3   OH234421  -3.214  -1.450   1.276
 9371TIP3    H134422  -3.129  -1.466   1.234
 9371TIP3    H234423  -3.240  -1.538   1.306
 9372TIP3   OH234424  -2.638  -1.443  -0.557
 9372TIP3    H134425  -2.638  -1.482  -0.646
 9372TIP3    H234426  -2.599  -1.357  -0.574
 9373TIP3   OH234427  -3.695  -1.995   1.031
 9373TIP3    H134428  -3.682  -2.060   0.959
 9373TIP3    H234429  -3.709  -1.913   0.980
 9374TIP3   OH234430  -3.657  -2.146   0.776
 9374TIP3    H134431  -3.602  -2.094   0.713
 9374TIP3    H234432  -3.747  -2.142   0.736
 9375TIP3   OH234433  -3.504  -1.604   0.815
 9375TIP3    H134434  -3.417  -1.612   0.771
 9375TIP3    H234435  -3.531  -1.515   0.784
 9376TIP3   OH234436  -3.040  -1.804   1.299
 9376TIP3    H134437  -3.022  -1.899   1.296
 9376TIP3    H234438  -2.951  -1.770   1.284
 9377TIP3   OH234439  -2.918  -1.494   1.107
 9377TIP3    H134440  -2.937  -1.422   1.045
 9377TIP3    H234441  -2.827  -1.517   1.083
 9378TIP3   OH234442  -3.883  -1.803   1.205
 9378TIP3    H134443  -3.930  -1.888   1.206
 9378TIP3    H234444  -3.798  -1.827   1.164
 9379TIP3   OH234445  -3.587  -2.414   0.812
 9379TIP3    H134446  -3.602  -2.319   0.794
 9379TIP3    H234447  -3.656  -2.455   0.756
 9380TIP3   OH234448  -3.459  -1.956   1.190
 9380TIP3    H134449  -3.494  -1.979   1.278
 9380TIP3    H234450  -3.538  -1.976   1.135
 9381TIP3   OH234451  -3.204  -2.050   1.079
 9381TIP3    H134452  -3.293  -2.050   1.118
 9381TIP3    H234453  -3.157  -2.115   1.133
 9382TIP3   OH234454  -3.026  -2.203   1.247
 9382TIP3    H134455  -3.035  -2.299   1.264
 9382TIP3    H234456  -3.037  -2.164   1.336
 9383TIP3   OH234457  -4.019  -2.059   1.191
 9383TIP3    H134458  -4.014  -2.132   1.128
 9383TIP3    H234459  -4.032  -2.106   1.276
 9384TIP3   OH234460  -3.601  -2.464   1.091
 9384TIP3    H134461  -3.541  -2.541   1.097
 9384TIP3    H234462  -3.603  -2.450   0.994
 9385TIP3   OH234463  -3.508  -2.280   1.279
 9385TIP3    H134464  -3.533  -2.339   1.205
 9385TIP3    H234465  -3.576  -2.212   1.276
 9386TIP3   OH234466  -3.601  -0.585  -0.377
 9386TIP3    H134467  -3.509  -0.568  -0.352
 9386TIP3    H234468  -3.609  -0.529  -0.455
 9387TIP3   OH234469  -4.199  -1.094  -0.451
 9387TIP3    H134470  -4.121  -1.100  -0.393
 9387TIP3    H234471  -4.211  -1.184  -0.484
 9388TIP3   OH234472  -4.274  -0.809   0.244
 9388TIP3    H134473  -4.276  -0.896   0.287
 9388TIP3    H234474  -4.240  -0.755   0.317
 9389TIP3   OH234475  -2.549  -1.304  -0.160
 9389TIP3    H134476  -2.470  -1.257  -0.129
 9389TIP3    H234477  -2.567  -1.361  -0.084
 9390TIP3   OH234478  -2.516  -1.523   0.048
 9390TIP3    H134479  -2.591  -1.572   0.086
 9390TIP3    H234480  -2.460  -1.507   0.127
 9391TIP3   OH234481  -2.514  -1.559  -0.306
 9391TIP3    H134482  -2.559  -1.525  -0.386
 9391TIP3    H234483  -2.517  -1.480  -0.249
 9392TIP3   OH234484  -2.709  -1.803  -0.486
 9392TIP3    H134485  -2.657  -1.752  -0.549
 9392TIP3    H234486  -2.712  -1.891  -0.526
 9393TIP3   OH234487  -2.755  -1.696   0.117
 9393TIP3    H134488  -2.751  -1.793   0.109
 9393TIP3    H234489  -2.783  -1.684   0.210
 9394TIP3   OH234490  -4.255  -1.451   0.518
 9394TIP3    H134491  -4.220  -1.426   0.431
 9394TIP3    H234492  -4.175  -1.490   0.558
 9395TIP3   OH234493  -2.578  -1.665   1.145
 9395TIP3    H134494  -2.616  -1.743   1.103
 9395TIP3    H234495  -2.483  -1.671   1.121
 9396TIP3   OH234496  -2.740  -2.078  -0.556
 9396TIP3    H134497  -2.675  -2.124  -0.498
 9396TIP3    H234498  -2.817  -2.136  -0.555
 9397TIP3   OH234499  -2.771  -1.955  -0.052
 9397TIP3    H134500  -2.738  -2.047  -0.050
 9397TIP3    H234501  -2.693  -1.909  -0.090
 9398TIP3   OH234502  -2.713  -1.875   0.478
 9398TIP3    H134503  -2.618  -1.855   0.466
 9398TIP3    H234504  -2.720  -1.871   0.575
 9399TIP3   OH234505  -2.707  -1.789   0.760
 9399TIP3    H134506  -2.795  -1.755   0.784
 9399TIP3    H234507  -2.657  -1.708   0.744
 9400TIP3   OH234508  -4.286  -1.955   1.126
 9400TIP3    H134509  -4.195  -1.990   1.127
 9400TIP3    H234510  -4.340  -2.033   1.145
 9401TIP3   OH234511  -2.466  -2.405   1.293
 9401TIP3    H134512  -2.423  -2.472   1.236
 9401TIP3    H234513  -2.461  -2.326   1.235
 9402TIP3   OH234514  -2.712  -2.229  -0.065
 9402TIP3    H134515  -2.691  -2.263   0.025
 9402TIP3    H234516  -2.791  -2.280  -0.088
 9403TIP3   OH234517  -4.195  -2.099   0.438
 9403TIP3    H134518  -4.160  -2.190   0.440
 9403TIP3    H234519  -4.115  -2.047   0.458
 9404TIP3   OH234520  -4.334  -1.838   0.527
 9404TIP3    H134521  -4.288  -1.892   0.461
 9404TIP3    H234522  -4.305  -1.750   0.501
 9405TIP3   OH234523  -2.527  -2.198   1.121
 9405TIP3    H134524  -2.614  -2.155   1.117
 9405TIP3    H234525  -2.531  -2.251   1.039
 9406TIP3   OH234526  -2.520  -2.173  -0.406
 9406TIP3    H134527  -2.479  -2.254  -0.440
 9406TIP3    H234528  -2.442  -2.120  -0.378
 9407TIP3   OH234529  -4.316  -2.226  -0.118
 9407TIP3    H134530  -4.398  -2.202  -0.164
 9407TIP3    H234531  -4.254  -2.160  -0.156
 9408TIP3   OH234532  -4.291  -2.326   0.715
 9408TIP3    H134533  -4.359  -2.338   0.786
 9408TIP3    H234534  -4.339  -2.284   0.642
 9409TIP3   OH234535  -4.120  -0.975   1.184
 9409TIP3    H134536  -4.164  -1.039   1.127
 9409TIP3    H234537  -4.137  -1.012   1.273
 9410TIP3   OH234538  -3.802  -0.907   0.774
 9410TIP3    H134539  -3.829  -0.824   0.732
 9410TIP3    H234540  -3.706  -0.902   0.753
 9411TIP3   OH234541  -3.361  -0.770   1.080
 9411TIP3    H134542  -3.331  -0.803   1.166
 9411TIP3    H234543  -3.276  -0.739   1.041
 9412TIP3   OH234544  -3.119  -0.674   0.996
 9412TIP3    H134545  -3.047  -0.730   0.964
 9412TIP3    H234546  -3.076  -0.623   1.066
 9413TIP3   OH234547  -2.643  -2.378   0.919
 9413TIP3    H134548  -2.719  -2.354   0.864
 9413TIP3    H234549  -2.618  -2.466   0.884
 9414TIP3   OH234550  -4.073  -0.606   0.799
 9414TIP3    H134551  -4.139  -0.555   0.748
 9414TIP3    H234552  -4.106  -0.598   0.888
 9415TIP3   OH234553  -3.821  -0.637   0.666
 9415TIP3    H134554  -3.907  -0.612   0.704
 9415TIP3    H234555  -3.818  -0.588   0.583
 9416TIP3   OH234556  -3.278  -0.608   0.608
 9416TIP3    H134557  -3.345  -0.639   0.545
 9416TIP3    H234558  -3.326  -0.587   0.687
 9417TIP3   OH234559  -4.119  -0.738   0.490
 9417TIP3    H134560  -4.127  -0.779   0.578
 9417TIP3    H234561  -4.037  -0.778   0.457
 9418TIP3   OH234562  -3.890  -0.851   0.357
 9418TIP3    H134563  -3.896  -0.944   0.385
 9418TIP3    H234564  -3.797  -0.829   0.378
 9419TIP3   OH234565  -3.299  -2.227   0.360
 9419TIP3    H134566  -3.366  -2.296   0.374
 9419TIP3    H234567  -3.234  -2.273   0.305
 9420TIP3   OH234568  -2.802  -2.424   0.408
 9420TIP3    H134569  -2.724  -2.381   0.369
 9420TIP3    H234570  -2.874  -2.392   0.352
 9421TIP3   OH234571  -2.597  -2.315   0.190
 9421TIP3    H134572  -2.521  -2.359   0.147
 9421TIP3    H234573  -2.560  -2.225   0.203
 9422TIP3   OH234574  -4.108  -2.369   0.116
 9422TIP3    H134575  -4.180  -2.399   0.059
 9422TIP3    H234576  -4.045  -2.443   0.106
 9423TIP3   OH234577  -4.182  -2.408  -0.303
 9423TIP3    H134578  -4.130  -2.342  -0.353
 9423TIP3    H234579  -4.233  -2.351  -0.243
 9424TIP3   OH234580  -3.618  -2.372   0.108
 9424TIP3    H134581  -3.527  -2.341   0.089
 9424TIP3    H234582  -3.613  -2.383   0.204
 9425TIP3   OH234583  -3.061  -2.367   0.244
 9425TIP3    H134584  -3.026  -2.384   0.155
 9425TIP3    H234585  -3.092  -2.455   0.270
 9426TIP3   OH234586  -2.946  -2.369  -0.151
 9426TIP3    H134587  -3.028  -2.320  -0.170
 9426TIP3    H234588  -2.979  -2.460  -0.141
 9427TIP3   OH234589  -4.192  -0.807  -0.199
 9427TIP3    H134590  -4.253  -0.819  -0.272
 9427TIP3    H234591  -4.179  -0.711  -0.199
 9428TIP3   OH234592  -4.006  -2.220  -0.449
 9428TIP3    H134593  -3.948  -2.279  -0.501
 9428TIP3    H234594  -3.944  -2.191  -0.379
 9429TIP3   OH234595  -3.501  -2.204  -0.188
 9429TIP3    H134596  -3.463  -2.264  -0.121
 9429TIP3    H234597  -3.477  -2.118  -0.149
 9430TIP3   OH234598  -3.289  -0.632  -0.368
 9430TIP3    H134599  -3.192  -0.628  -0.371
 9430TIP3    H234600  -3.307  -0.695  -0.440
 9431TIP3   OH234601  -2.648  -0.727  -0.063
 9431TIP3    H134602  -2.648  -0.804  -0.120
 9431TIP3    H234603  -2.606  -0.658  -0.115
 9432TIP3   OH234604  -4.080  -2.329   1.069
 9432TIP3    H134605  -4.124  -2.406   1.109
 9432TIP3    H234606  -3.988  -2.345   1.096
 9433TIP3   OH234607  -3.844  -2.392   1.245
 9433TIP3    H134608  -3.762  -2.427   1.204
 9433TIP3    H234609  -3.877  -2.472   1.289
 9434TIP3   OH234610  -4.016  -0.713  -0.500
 9434TIP3    H134611  -4.040  -0.688  -0.410
 9434TIP3    H234612  -3.935  -0.765  -0.486
 9435TIP3   OH234613  -3.030  -2.482   1.263
 9435TIP3    H134614  -3.025  -2.524   1.350
 9435TIP3    H234615  -2.937  -2.486   1.234
 9436TIP3   OH234616  -2.349  -1.776   0.028
 9436TIP3    H134617  -2.398  -1.692   0.028
 9436TIP3    H234618  -2.412  -1.836  -0.012
 9437TIP3   OH234619  -2.306  -1.532   0.233
 9437TIP3    H134620  -2.294  -1.598   0.303
 9437TIP3    H234621  -2.224  -1.537   0.183
 9438TIP3   OH234622  -0.661  -2.148   0.573
 9438TIP3    H134623  -0.666  -2.080   0.641
 9438TIP3    H234624  -0.622  -2.100   0.498
 9439TIP3   OH234625  -1.166  -2.035   0.129
 9439TIP3    H134626  -1.101  -2.091   0.175
 9439TIP3    H234627  -1.124  -2.021   0.044
 9440TIP3   OH234628  -2.288  -1.817   0.341
 9440TIP3    H134629  -2.214  -1.803   0.401
 9440TIP3    H234630  -2.252  -1.822   0.252
 9441TIP3   OH234631  -0.642  -2.007   0.832
 9441TIP3    H134632  -0.684  -1.924   0.805
 9441TIP3    H234633  -0.625  -1.989   0.926
 9442TIP3   OH234634  -2.045  -2.143   0.660
 9442TIP3    H134635  -2.054  -2.064   0.607
 9442TIP3    H234636  -2.092  -2.119   0.741
 9443TIP3   OH234637  -0.924  -2.114   0.311
 9443TIP3    H134638  -0.995  -2.148   0.367
 9443TIP3    H234639  -0.890  -2.040   0.364
 9444TIP3   OH234640  -0.939  -2.192   0.682
 9444TIP3    H134641  -1.017  -2.155   0.636
 9444TIP3    H234642  -0.868  -2.175   0.617
 9445TIP3   OH234643  -1.616  -2.422   0.382
 9445TIP3    H134644  -1.642  -2.515   0.373
 9445TIP3    H234645  -1.700  -2.380   0.409
 9446TIP3   OH234646  -1.870  -2.306   0.481
 9446TIP3    H134647  -1.953  -2.313   0.432
 9446TIP3    H234648  -1.888  -2.230   0.539
 9447TIP3   OH234649  -1.437  -2.377   0.851
 9447TIP3    H134650  -1.392  -2.424   0.923
 9447TIP3    H234651  -1.531  -2.394   0.865
 9448TIP3   OH234652  -1.250  -1.802   0.258
 9448TIP3    H134653  -1.282  -1.766   0.175
 9448TIP3    H234654  -1.252  -1.898   0.240
 9449TIP3   OH234655  -2.451  -2.082   0.166
 9449TIP3    H134656  -2.396  -2.057   0.242
 9449TIP3    H234657  -2.385  -2.109   0.101
 9450TIP3   OH234658  -2.329  -1.982  -0.278
 9450TIP3    H134659  -2.263  -1.922  -0.315
 9450TIP3    H234660  -2.392  -1.920  -0.237
 9451TIP3   OH234661  -1.161  -2.145   0.494
 9451TIP3    H134662  -1.218  -2.128   0.571
 9451TIP3    H234663  -1.230  -2.158   0.426
 9452TIP3   OH234664  -1.209  -1.068   0.948
 9452TIP3    H134665  -1.273  -1.031   0.885
 9452TIP3    H234666  -1.235  -1.034   1.033
 9453TIP3   OH234667  -1.115  -1.480   0.499
 9453TIP3    H134668  -1.184  -1.541   0.526
 9453TIP3    H234669  -1.044  -1.538   0.468
 9454TIP3   OH234670  -2.237  -1.573  -0.432
 9454TIP3    H134671  -2.178  -1.516  -0.380
 9454TIP3    H234672  -2.321  -1.560  -0.385
 9455TIP3   OH234673  -1.225  -1.274   0.683
 9455TIP3    H134674  -1.306  -1.301   0.725
 9455TIP3    H234675  -1.179  -1.354   0.658
 9456TIP3   OH234676  -2.216  -2.077   0.918
 9456TIP3    H134677  -2.277  -2.033   0.857
 9456TIP3    H234678  -2.238  -2.171   0.911
 9457TIP3   OH234679  -2.109  -1.356  -0.269
 9457TIP3    H134680  -2.160  -1.316  -0.198
 9457TIP3    H234681  -2.039  -1.290  -0.282
 9458TIP3   OH234682  -1.289  -2.152   0.758
 9458TIP3    H134683  -1.280  -2.108   0.844
 9458TIP3    H234684  -1.354  -2.221   0.781
 9459TIP3   OH234685  -0.895  -2.071   0.972
 9459TIP3    H134686  -0.984  -2.047   0.947
 9459TIP3    H234687  -0.851  -2.076   0.885
 9460TIP3   OH234688  -1.004  -1.697   0.324
 9460TIP3    H134689  -1.091  -1.743   0.322
 9460TIP3    H234690  -0.947  -1.758   0.371
 9461TIP3   OH234691  -2.143  -2.352   0.398
 9461TIP3    H134692  -2.160  -2.351   0.300
 9461TIP3    H234693  -2.179  -2.438   0.423
 9462TIP3   OH234694  -1.891  -1.331  -0.544
 9462TIP3    H134695  -1.872  -1.380  -0.464
 9462TIP3    H234696  -1.803  -1.302  -0.572
 9463TIP3   OH234697  -1.033  -1.342   0.936
 9463TIP3    H134698  -0.982  -1.270   0.897
 9463TIP3    H234699  -1.122  -1.308   0.919
 9464TIP3   OH234700  -2.296  -1.609   1.173
 9464TIP3    H134701  -2.228  -1.647   1.115
 9464TIP3    H234702  -2.252  -1.592   1.257
 9465TIP3   OH234703  -1.756  -2.132   0.759
 9465TIP3    H134704  -1.707  -2.057   0.722
 9465TIP3    H234705  -1.846  -2.098   0.760
 9466TIP3   OH234706  -1.718  -2.395   0.820
 9466TIP3    H134707  -1.720  -2.299   0.797
 9466TIP3    H234708  -1.779  -2.430   0.753
 9467TIP3   OH234709  -1.562  -1.987   1.167
 9467TIP3    H134710  -1.594  -1.958   1.253
 9467TIP3    H234711  -1.633  -1.955   1.109
 9468TIP3   OH234712  -1.305  -2.055   1.046
 9468TIP3    H134713  -1.389  -2.026   1.088
 9468TIP3    H234714  -1.255  -2.090   1.121
 9469TIP3   OH234715  -1.121  -2.196   1.253
 9469TIP3    H134716  -1.147  -2.288   1.270
 9469TIP3    H234717  -1.146  -2.149   1.334
 9470TIP3   OH234718  -2.067  -2.083   1.199
 9470TIP3    H134719  -2.104  -2.085   1.109
 9470TIP3    H234720  -2.145  -2.066   1.253
 9471TIP3   OH234721  -1.710  -2.469   1.094
 9471TIP3    H134722  -1.646  -2.541   1.081
 9471TIP3    H234723  -1.724  -2.441   1.001
 9472TIP3   OH234724  -1.633  -2.315   1.322
 9472TIP3    H134725  -1.648  -2.349   1.231
 9472TIP3    H234726  -1.682  -2.231   1.315
 9473TIP3   OH234727  -0.664  -1.683   1.147
 9473TIP3    H134728  -0.735  -1.736   1.112
 9473TIP3    H234729  -0.586  -1.727   1.111
 9474TIP3   OH234730  -0.817  -1.885   0.488
 9474TIP3    H134731  -0.736  -1.834   0.474
 9474TIP3    H234732  -0.843  -1.856   0.577
 9475TIP3   OH234733  -0.839  -1.779   0.762
 9475TIP3    H134734  -0.926  -1.746   0.788
 9475TIP3    H234735  -0.793  -1.695   0.745
 9476TIP3   OH234736  -2.379  -1.947   1.169
 9476TIP3    H134737  -2.308  -1.940   1.103
 9476TIP3    H234738  -2.425  -2.029   1.142
 9477TIP3   OH234739  -0.580  -2.400   1.289
 9477TIP3    H134740  -0.541  -2.466   1.229
 9477TIP3    H234741  -0.584  -2.321   1.232
 9478TIP3   OH234742  -2.298  -2.111   0.430
 9478TIP3    H134743  -2.239  -2.188   0.431
 9478TIP3    H234744  -2.239  -2.037   0.449
 9479TIP3   OH234745  -0.661  -2.197   1.120
 9479TIP3    H134746  -0.744  -2.145   1.119
 9479TIP3    H234747  -0.673  -2.246   1.036
 9480TIP3   OH234748  -2.397  -2.228  -0.102
 9480TIP3    H134749  -2.489  -2.200  -0.107
 9480TIP3    H234750  -2.348  -2.155  -0.143
 9481TIP3   OH234751  -2.399  -2.326   0.737
 9481TIP3    H134752  -2.471  -2.343   0.799
 9481TIP3    H234753  -2.441  -2.269   0.671
 9482TIP3   OH234754  -0.759  -2.370   0.918
 9482TIP3    H134755  -0.836  -2.342   0.865
 9482TIP3    H234756  -0.739  -2.457   0.880
 9483TIP3   OH234757  -1.403  -2.227   0.347
 9483TIP3    H134758  -1.482  -2.283   0.347
 9483TIP3    H234759  -1.356  -2.255   0.268
 9484TIP3   OH234760  -0.905  -2.430   0.388
 9484TIP3    H134761  -0.838  -2.376   0.342
 9484TIP3    H234762  -0.988  -2.394   0.350
 9485TIP3   OH234763  -0.708  -2.318   0.192
 9485TIP3    H134764  -0.648  -2.350   0.123
 9485TIP3    H234765  -0.704  -2.222   0.186
 9486TIP3   OH234766  -2.177  -2.347   0.129
 9486TIP3    H134767  -2.247  -2.348   0.062
 9486TIP3    H234768  -2.111  -2.406   0.090
 9487TIP3   OH234769  -1.144  -2.388   0.242
 9487TIP3    H134770  -1.160  -2.375   0.146
 9487TIP3    H234771  -1.215  -2.450   0.265
 9488TIP3   OH234772  -2.207  -2.337   1.063
 9488TIP3    H134773  -2.231  -2.417   1.111
 9488TIP3    H234774  -2.118  -2.317   1.096
 9489TIP3   OH234775  -1.951  -2.395   1.257
 9489TIP3    H134776  -1.876  -2.426   1.202
 9489TIP3    H234777  -2.002  -2.476   1.272
 9490TIP3   OH234778  -1.144  -2.478   1.263
 9490TIP3    H134779  -1.140  -2.517   1.352
 9490TIP3    H234780  -1.050  -2.477   1.236
 9491TIP3   OH234781   1.215  -2.110   0.589
 9491TIP3    H134782   1.211  -2.030   0.644
 9491TIP3    H234783   1.274  -2.082   0.516
 9492TIP3   OH234784   0.755  -2.079   0.062
 9492TIP3    H134785   0.798  -2.082   0.148
 9492TIP3    H234786   0.785  -1.993   0.028
 9493TIP3   OH234787  -0.408  -1.803   0.337
 9493TIP3    H134788  -0.329  -1.812   0.389
 9493TIP3    H234789  -0.379  -1.806   0.246
 9494TIP3   OH234790   0.137  -1.661   0.320
 9494TIP3    H134791   0.233  -1.664   0.336
 9494TIP3    H234792   0.129  -1.683   0.227
 9495TIP3   OH234793  -0.112  -2.164   0.682
 9495TIP3    H134794  -0.143  -2.095   0.622
 9495TIP3    H234795  -0.175  -2.155   0.756
 9496TIP3   OH234796   0.947  -2.127   0.319
 9496TIP3    H134797   0.899  -2.161   0.395
 9496TIP3    H234798   0.981  -2.042   0.353
 9497TIP3   OH234799  -0.136  -1.956   0.473
 9497TIP3    H134800  -0.089  -1.875   0.498
 9497TIP3    H234801  -0.093  -1.980   0.391
 9498TIP3   OH234802   0.964  -2.219   0.668
 9498TIP3    H134803   0.896  -2.158   0.700
 9498TIP3    H234804   1.033  -2.158   0.634
 9499TIP3   OH234805   0.272  -2.428   0.385
 9499TIP3    H134806   0.242  -2.520   0.387
 9499TIP3    H234807   0.192  -2.379   0.411
 9500TIP3   OH234808   0.539  -1.786  -0.387
 9500TIP3    H134809   0.555  -1.696  -0.357
 9500TIP3    H234810   0.515  -1.773  -0.479
 9501TIP3   OH234811   0.113  -1.136   1.013
 9501TIP3    H134812   0.092  -1.045   1.036
 9501TIP3    H234813   0.079  -1.141   0.924
 9502TIP3   OH234814   1.052  -2.415  -0.318
 9502TIP3    H134815   0.971  -2.386  -0.277
 9502TIP3    H234816   1.098  -2.330  -0.331
 9503TIP3   OH234817  -0.105  -1.564  -0.026
 9503TIP3    H134818  -0.105  -1.475  -0.063
 9503TIP3    H234819  -0.189  -1.600  -0.057
 9504TIP3   OH234820   0.017  -2.281   0.447
 9504TIP3    H134821  -0.075  -2.312   0.436
 9504TIP3    H234822   0.010  -2.231   0.530
 9505TIP3   OH234823   0.447  -2.116  -0.430
 9505TIP3    H134824   0.386  -2.092  -0.359
 9505TIP3    H234825   0.392  -2.170  -0.489
 9506TIP3   OH234826   0.004  -1.873   0.110
 9506TIP3    H134827  -0.086  -1.837   0.106
 9506TIP3    H234828   0.039  -1.840   0.025
 9507TIP3   OH234829   0.544  -1.761  -0.010
 9507TIP3    H134830   0.518  -1.668  -0.016
 9507TIP3    H234831   0.627  -1.764  -0.062
 9508TIP3   OH234832   0.699  -1.821   0.243
 9508TIP3    H134833   0.637  -1.760   0.201
 9508TIP3    H234834   0.658  -1.906   0.228
 9509TIP3   OH234835   0.086  -2.059  -0.516
 9509TIP3    H134836   0.027  -2.118  -0.470
 9509TIP3    H234837   0.022  -2.000  -0.561
 9510TIP3   OH234838  -0.556  -2.042   0.158
 9510TIP3    H134839  -0.516  -2.053   0.246
 9510TIP3    H234840  -0.519  -2.114   0.106
 9511TIP3   OH234841  -0.450  -2.033  -0.276
 9511TIP3    H134842  -0.397  -1.995  -0.348
 9511TIP3    H234843  -0.507  -1.959  -0.253
 9512TIP3   OH234844   0.194  -2.093   0.223
 9512TIP3    H134845   0.166  -2.021   0.281
 9512TIP3    H234846   0.285  -2.107   0.256
 9513TIP3   OH234847  -0.272  -1.945   0.069
 9513TIP3    H134848  -0.360  -1.906   0.054
 9513TIP3    H234849  -0.274  -2.016   0.005
 9514TIP3   OH234850   0.097  -1.885  -0.177
 9514TIP3    H134851   0.191  -1.882  -0.155
 9514TIP3    H234852   0.091  -1.816  -0.246
 9515TIP3   OH234853   0.706  -2.065  -0.356
 9515TIP3    H134854   0.611  -2.060  -0.380
 9515TIP3    H234855   0.718  -1.979  -0.313
 9516TIP3   OH234856   0.780  -1.809  -0.200
 9516TIP3    H134857   0.865  -1.840  -0.163
 9516TIP3    H234858   0.807  -1.759  -0.278
 9517TIP3   OH234859   1.213  -1.819  -0.248
 9517TIP3    H134860   1.220  -1.872  -0.329
 9517TIP3    H234861   1.276  -1.747  -0.264
 9518TIP3   OH234862  -0.342  -2.127   0.874
 9518TIP3    H134863  -0.422  -2.072   0.877
 9518TIP3    H234864  -0.363  -2.199   0.935
 9519TIP3   OH234865   0.356  -0.975  -0.319
 9519TIP3    H134866   0.396  -1.007  -0.238
 9519TIP3    H234867   0.410  -0.900  -0.345
 9520TIP3   OH234868   0.365  -1.970  -0.042
 9520TIP3    H134869   0.439  -1.905  -0.039
 9520TIP3    H234870   0.343  -1.976   0.051
 9521TIP3   OH234871  -0.015  -2.170  -0.219
 9521TIP3    H134872   0.003  -2.075  -0.233
 9521TIP3    H234873   0.061  -2.214  -0.257
 9522TIP3   OH234874  -0.248  -2.361   0.391
 9522TIP3    H134875  -0.284  -2.359   0.301
 9522TIP3    H234876  -0.292  -2.439   0.430
 9523TIP3   OH234877   0.201  -2.365   0.815
 9523TIP3    H134878   0.183  -2.272   0.795
 9523TIP3    H234879   0.134  -2.412   0.762
 9524TIP3   OH234880   0.682  -2.210   1.282
 9524TIP3    H134881   0.733  -2.272   1.227
 9524TIP3    H234882   0.727  -2.126   1.265
 9525TIP3   OH234883  -0.223  -2.049   1.176
 9525TIP3    H134884  -0.240  -2.125   1.118
 9525TIP3    H234885  -0.248  -2.082   1.263
 9526TIP3   OH234886   0.182  -2.457   1.088
 9526TIP3    H134887   0.237  -2.536   1.083
 9526TIP3    H234888   0.185  -2.428   0.994
 9527TIP3   OH234889   0.287  -2.290   1.307
 9527TIP3    H134890   0.267  -2.345   1.229
 9527TIP3    H234891   0.214  -2.227   1.301
 9528TIP3   OH234892   1.004  -1.915  -0.061
 9528TIP3    H134893   1.031  -2.005  -0.038
 9528TIP3    H234894   1.089  -1.875  -0.088
 9529TIP3   OH234895   1.035  -1.876   0.477
 9529TIP3    H134896   1.128  -1.857   0.492
 9529TIP3    H234897   0.995  -1.868   0.566
 9530TIP3   OH234898  -0.504  -1.949   1.106
 9530TIP3    H134899  -0.412  -1.957   1.137
 9530TIP3    H234900  -0.547  -2.027   1.144
 9531TIP3   OH234901   1.302  -2.390   1.284
 9531TIP3    H134902   1.344  -2.459   1.230
 9531TIP3    H234903   1.301  -2.314   1.222
 9532TIP3   OH234904   1.041  -2.237  -0.070
 9532TIP3    H134905   1.062  -2.243   0.024
 9532TIP3    H234906   0.957  -2.283  -0.076
 9533TIP3   OH234907  -0.403  -2.104   0.410
 9533TIP3    H134908  -0.361  -2.186   0.439
 9533TIP3    H234909  -0.347  -2.036   0.448
 9534TIP3   OH234910   1.228  -2.194   1.105
 9534TIP3    H134911   1.143  -2.150   1.121
 9534TIP3    H234912   1.209  -2.244   1.024
 9535TIP3   OH234913   1.244  -2.207  -0.371
 9535TIP3    H134914   1.264  -2.255  -0.453
 9535TIP3    H234915   1.298  -2.127  -0.381
 9536TIP3   OH234916  -0.496  -2.210  -0.066
 9536TIP3    H134917  -0.591  -2.224  -0.080
 9536TIP3    H234918  -0.471  -2.158  -0.145
 9537TIP3   OH234919  -0.526  -2.347   0.719
 9537TIP3    H134920  -0.587  -2.343   0.794
 9537TIP3    H234921  -0.564  -2.277   0.662
 9538TIP3   OH234922   1.115  -2.371   0.918
 9538TIP3    H134923   1.047  -2.336   0.857
 9538TIP3    H234924   1.138  -2.455   0.875
 9539TIP3   OH234925   0.463  -2.226   0.292
 9539TIP3    H134926   0.411  -2.289   0.345
 9539TIP3    H234927   0.552  -2.264   0.296
 9540TIP3   OH234928   1.005  -2.474   0.393
 9540TIP3    H134929   1.057  -2.396   0.365
 9540TIP3    H234930   0.915  -2.436   0.384
 9541TIP3   OH234931   1.172  -2.320   0.193
 9541TIP3    H134932   1.248  -2.345   0.138
 9541TIP3    H234933   1.192  -2.226   0.209
 9542TIP3   OH234934  -0.266  -2.342   0.105
 9542TIP3    H134935  -0.349  -2.332   0.054
 9542TIP3    H234936  -0.248  -2.437   0.091
 9543TIP3   OH234937  -0.407  -2.407  -0.292
 9543TIP3    H134938  -0.379  -2.348  -0.363
 9543TIP3    H234939  -0.474  -2.356  -0.247
 9544TIP3   OH234940   0.720  -2.376   0.265
 9544TIP3    H134941   0.756  -2.383   0.176
 9544TIP3    H234942   0.677  -2.462   0.280
 9545TIP3   OH234943  -0.221  -2.204  -0.457
 9545TIP3    H134944  -0.177  -2.280  -0.501
 9545TIP3    H234945  -0.177  -2.202  -0.370
 9546TIP3   OH234946   0.330  -2.228  -0.167
 9546TIP3    H134947   0.288  -2.259  -0.086
 9546TIP3    H234948   0.310  -2.133  -0.161
 9547TIP3   OH234949  -0.316  -2.329   1.079
 9547TIP3    H134950  -0.349  -2.414   1.114
 9547TIP3    H234951  -0.222  -2.334   1.102
 9548TIP3   OH234952  -0.061  -2.393   1.251
 9548TIP3    H134953   0.014  -2.429   1.201
 9548TIP3    H234954  -0.106  -2.473   1.283
 9549TIP3   OH234955   0.738  -2.487   1.262
 9549TIP3    H134956   0.751  -2.522   1.352
 9549TIP3    H234957   0.828  -2.489   1.227
 9550TIP3   OH234958   2.500  -1.500   0.162
 9550TIP3    H134959   2.503  -1.403   0.158
 9550TIP3    H234960   2.425  -1.517   0.105
 9551TIP3   OH234961   2.376  -1.517   0.462
 9551TIP3    H134962   2.367  -1.578   0.536
 9551TIP3    H234963   2.343  -1.569   0.387
 9552TIP3   OH234964   2.767  -1.264   0.308
 9552TIP3    H134965   2.709  -1.322   0.360
 9552TIP3    H234966   2.739  -1.176   0.335
 9553TIP3   OH234967   3.101  -2.137   0.574
 9553TIP3    H134968   3.120  -2.070   0.641
 9553TIP3    H234969   3.157  -2.107   0.500
 9554TIP3   OH234970   2.562  -1.849   0.561
 9554TIP3    H134971   2.567  -1.946   0.565
 9554TIP3    H234972   2.545  -1.834   0.467
 9555TIP3   OH234973   2.642  -2.033   0.100
 9555TIP3    H134974   2.702  -2.076   0.164
 9555TIP3    H234975   2.705  -1.986   0.043
 9556TIP3   OH234976   3.176  -1.987   0.824
 9556TIP3    H134977   3.112  -1.921   0.792
 9556TIP3    H234978   3.137  -2.008   0.910
 9557TIP3   OH234979   1.734  -2.157   0.677
 9557TIP3    H134980   1.705  -2.108   0.598
 9557TIP3    H234981   1.663  -2.136   0.740
 9558TIP3   OH234982   2.509  -1.257   0.025
 9558TIP3    H134983   2.482  -1.259  -0.068
 9558TIP3    H234984   2.513  -1.163   0.044
 9559TIP3   OH234985   2.833  -2.115   0.302
 9559TIP3    H134986   2.781  -2.169   0.363
 9559TIP3    H234987   2.872  -2.049   0.362
 9560TIP3   OH234988   1.704  -1.994   0.452
 9560TIP3    H134989   1.735  -1.908   0.483
 9560TIP3    H234990   1.746  -1.995   0.363
 9561TIP3   OH234991   2.839  -2.190   0.688
 9561TIP3    H134992   2.760  -2.157   0.642
 9561TIP3    H234993   2.908  -2.178   0.620
 9562TIP3   OH234994   2.154  -2.424   0.402
 9562TIP3    H134995   2.127  -2.516   0.384
 9562TIP3    H234996   2.069  -2.382   0.427
 9563TIP3   OH234997   2.954  -1.216   0.900
 9563TIP3    H134998   2.921  -1.276   0.831
 9563TIP3    H234999   2.916  -1.131   0.874
 9564TIP3   OH235000   2.336  -1.471  -0.145
 9564TIP3    H135001   2.263  -1.471  -0.208
 9564TIP3    H235002   2.410  -1.504  -0.197
 9565TIP3   OH235003   2.358  -1.706  -0.410
 9565TIP3    H135004   2.441  -1.675  -0.372
 9565TIP3    H235005   2.387  -1.755  -0.487
 9566TIP3   OH235006   3.144  -1.585   0.733
 9566TIP3    H135007   3.059  -1.537   0.735
 9566TIP3    H235008   3.172  -1.571   0.641
 9567TIP3   OH235009   2.718  -1.519  -0.041
 9567TIP3    H135010   2.658  -1.478   0.023
 9567TIP3    H235011   2.774  -1.572   0.018
 9568TIP3   OH235012   2.694  -1.671   0.856
 9568TIP3    H135013   2.688  -1.596   0.917
 9568TIP3    H235014   2.626  -1.643   0.791
 9569TIP3   OH235015   2.593  -1.583  -0.279
 9569TIP3    H135016   2.642  -1.553  -0.199
 9569TIP3    H235017   2.642  -1.534  -0.349
 9570TIP3   OH235018   2.954  -2.412  -0.323
 9570TIP3    H135019   2.863  -2.403  -0.288
 9570TIP3    H235020   2.985  -2.320  -0.321
 9571TIP3   OH235021   3.073  -0.943  -0.418
 9571TIP3    H135022   3.119  -0.861  -0.439
 9571TIP3    H235023   3.148  -1.006  -0.411
 9572TIP3   OH235024   3.186  -0.942   1.073
 9572TIP3    H135025   3.177  -1.032   1.038
 9572TIP3    H235026   3.094  -0.909   1.051
 9573TIP3   OH235027   2.910  -1.811   1.093
 9573TIP3    H135028   2.845  -1.774   1.031
 9573TIP3    H235029   2.904  -1.906   1.069
 9574TIP3   OH235030   1.906  -2.303   0.480
 9574TIP3    H135031   1.826  -2.313   0.425
 9574TIP3    H235032   1.879  -2.228   0.535
 9575TIP3   OH235033   2.346  -2.349   0.848
 9575TIP3    H135034   2.398  -2.404   0.910
 9575TIP3    H235035   2.255  -2.383   0.858
 9576TIP3   OH235036   2.671  -1.967   0.909
 9576TIP3    H135037   2.600  -1.985   0.973
 9576TIP3    H235038   2.652  -1.876   0.879
 9577TIP3   OH235039   2.764  -1.470  -0.472
 9577TIP3    H135040   2.742  -1.492  -0.564
 9577TIP3    H235041   2.860  -1.453  -0.480
 9578TIP3   OH235042   2.332  -2.102  -0.425
 9578TIP3    H135043   2.278  -2.110  -0.344
 9578TIP3    H235044   2.286  -2.167  -0.482
 9579TIP3   OH235045   1.896  -1.862   0.657
 9579TIP3    H135046   1.812  -1.847   0.705
 9579TIP3    H235047   1.889  -1.800   0.584
 9580TIP3   OH235048   2.444  -1.752  -0.015
 9580TIP3    H135049   2.394  -1.681  -0.056
 9580TIP3    H235050   2.510  -1.773  -0.083
 9581TIP3   OH235051   2.369  -1.734   1.138
 9581TIP3    H135052   2.316  -1.811   1.167
 9581TIP3    H235053   2.458  -1.755   1.174
 9582TIP3   OH235054   2.532  -1.822   0.268
 9582TIP3    H135055   2.503  -1.761   0.198
 9582TIP3    H235056   2.548  -1.903   0.215
 9583TIP3   OH235057   1.654  -1.802   0.796
 9583TIP3    H135058   1.640  -1.752   0.877
 9583TIP3    H235059   1.597  -1.879   0.809
 9584TIP3   OH235060   1.974  -2.070  -0.527
 9584TIP3    H135061   1.940  -2.091  -0.437
 9584TIP3    H235062   1.900  -2.019  -0.563
 9585TIP3   OH235063   1.314  -2.072   0.171
 9585TIP3    H135064   1.376  -2.072   0.246
 9585TIP3    H235065   1.371  -2.093   0.096
 9586TIP3   OH235066   1.451  -1.996  -0.309
 9586TIP3    H135067   1.518  -1.935  -0.344
 9586TIP3    H235068   1.420  -1.946  -0.233
 9587TIP3   OH235069   2.437  -1.652   0.723
 9587TIP3    H135070   2.477  -1.723   0.668
 9587TIP3    H235071   2.384  -1.703   0.786
 9588TIP3   OH235072   2.137  -2.076   0.215
 9588TIP3    H135073   2.044  -2.045   0.215
 9588TIP3    H235074   2.160  -2.069   0.308
 9589TIP3   OH235075   2.011  -1.925  -0.185
 9589TIP3    H135076   2.074  -1.901  -0.116
 9589TIP3    H235077   1.965  -1.843  -0.203
 9590TIP3   OH235078   2.605  -2.152   0.518
 9590TIP3    H135079   2.539  -2.147   0.590
 9590TIP3    H235080   2.547  -2.184   0.446
 9591TIP3   OH235081   1.684  -1.352   1.166
 9591TIP3    H135082   1.737  -1.277   1.196
 9591TIP3    H235083   1.596  -1.313   1.167
 9592TIP3   OH235084   2.257  -1.788   0.389
 9592TIP3    H135085   2.322  -1.834   0.334
 9592TIP3    H235086   2.237  -1.854   0.458
 9593TIP3   OH235087   2.171  -1.954   0.613
 9593TIP3    H135088   2.084  -1.912   0.622
 9593TIP3    H235089   2.216  -1.928   0.696
 9594TIP3   OH235090   2.918  -1.404   0.672
 9594TIP3    H135091   2.951  -1.359   0.594
 9594TIP3    H235092   2.824  -1.415   0.646
 9595TIP3   OH235093   2.597  -2.037  -0.415
 9595TIP3    H135094   2.498  -2.045  -0.416
 9595TIP3    H235095   2.611  -1.966  -0.349
 9596TIP3   OH235096   2.662  -1.857  -0.204
 9596TIP3    H135097   2.751  -1.870  -0.168
 9596TIP3    H235098   2.668  -1.770  -0.247
 9597TIP3   OH235099   2.104  -1.593   1.130
 9597TIP3    H135100   2.064  -1.615   1.044
 9597TIP3    H235101   2.198  -1.587   1.109
 9598TIP3   OH235102   3.123  -1.855  -0.234
 9598TIP3    H135103   3.067  -1.873  -0.313
 9598TIP3    H235104   3.134  -1.759  -0.245
 9599TIP3   OH235105   3.175  -1.254   1.049
 9599TIP3    H135106   3.082  -1.228   1.034
 9599TIP3    H235107   3.203  -1.265   0.957
 9600TIP3   OH235108   2.669  -1.462   0.517
 9600TIP3    H135109   2.572  -1.469   0.506
 9600TIP3    H235110   2.700  -1.536   0.463
 9601TIP3   OH235111   1.535  -2.074   0.880
 9601TIP3    H135112   1.443  -2.060   0.857
 9601TIP3    H235113   1.533  -2.164   0.916
 9602TIP3   OH235114   2.446  -2.103   0.740
 9602TIP3    H135115   2.506  -2.084   0.813
 9602TIP3    H235116   2.394  -2.178   0.774
 9603TIP3   OH235117   2.521  -2.171  -0.139
 9603TIP3    H135118   2.521  -2.112  -0.216
 9603TIP3    H235119   2.550  -2.111  -0.068
 9604TIP3   OH235120   2.266  -1.973  -0.031
 9604TIP3    H135121   2.328  -1.900  -0.014
 9604TIP3    H235122   2.214  -1.977   0.052
 9605TIP3   OH235123   2.287  -1.850   0.876
 9605TIP3    H135124   2.297  -1.809   0.963
 9605TIP3    H235125   2.331  -1.935   0.889
 9606TIP3   OH235126   2.316  -2.262   0.063
 9606TIP3    H135127   2.280  -2.187   0.114
 9606TIP3    H235128   2.376  -2.217   0.001
 9607TIP3   OH235129   1.867  -2.159  -0.280
 9607TIP3    H135130   1.861  -2.087  -0.214
 9607TIP3    H235131   1.944  -2.207  -0.246
 9608TIP3   OH235132   2.921  -2.072   0.958
 9608TIP3    H135133   2.825  -2.054   0.951
 9608TIP3    H235134   2.935  -2.100   0.866
 9609TIP3   OH235135   2.769  -1.689   0.358
 9609TIP3    H135136   2.682  -1.727   0.334
 9609TIP3    H235137   2.810  -1.763   0.407
 9610TIP3   OH235138   1.636  -2.366   0.397
 9610TIP3    H135139   1.619  -2.355   0.300
 9610TIP3    H235140   1.577  -2.440   0.420
 9611TIP3   OH235141   2.768  -0.891  -0.531
 9611TIP3    H135142   2.813  -0.954  -0.475
 9611TIP3    H235143   2.839  -0.858  -0.589
 9612TIP3   OH235144   2.645  -1.346   0.936
 9612TIP3    H135145   2.709  -1.293   0.886
 9612TIP3    H235146   2.567  -1.288   0.932
 9613TIP3   OH235147   1.505  -1.648   1.171
 9613TIP3    H135148   1.595  -1.683   1.166
 9613TIP3    H235149   1.515  -1.579   1.238
 9614TIP3   OH235150   1.931  -1.692   0.924
 9614TIP3    H135151   1.861  -1.632   0.952
 9614TIP3    H235152   1.949  -1.664   0.833
 9615TIP3   OH235153   2.469  -1.483   1.324
 9615TIP3    H135154   2.509  -1.439   1.248
 9615TIP3    H235155   2.398  -1.533   1.283
 9616TIP3   OH235156   3.032  -1.442  -0.551
 9616TIP3    H135157   3.021  -1.485  -0.637
 9616TIP3    H235158   3.022  -1.347  -0.576
 9617TIP3   OH235159   1.969  -1.988   1.026
 9617TIP3    H135160   1.970  -2.056   0.956
 9617TIP3    H235161   1.949  -1.908   0.975
 9618TIP3   OH235162   1.999  -2.148   0.771
 9618TIP3    H135163   2.050  -2.094   0.708
 9618TIP3    H235164   1.908  -2.139   0.737
 9619TIP3   OH235165   2.613  -1.812   1.285
 9619TIP3    H135166   2.637  -1.904   1.305
 9619TIP3    H235167   2.698  -1.767   1.289
 9620TIP3   OH235168   2.712  -1.524   1.131
 9620TIP3    H135169   2.671  -1.457   1.071
 9620TIP3    H235170   2.799  -1.534   1.089
 9621TIP3   OH235171   1.782  -1.804   1.208
 9621TIP3    H135172   1.725  -1.883   1.207
 9621TIP3    H235173   1.862  -1.836   1.163
 9622TIP3   OH235174   2.071  -2.414   0.811
 9622TIP3    H135175   2.055  -2.319   0.792
 9622TIP3    H235176   2.003  -2.455   0.754
 9623TIP3   OH235177   2.200  -1.960   1.186
 9623TIP3    H135178   2.161  -1.975   1.274
 9623TIP3    H235179   2.119  -1.974   1.131
 9624TIP3   OH235180   2.453  -2.050   1.073
 9624TIP3    H135181   2.364  -2.042   1.113
 9624TIP3    H235182   2.496  -2.113   1.133
 9625TIP3   OH235183   2.646  -2.204   1.252
 9625TIP3    H135184   2.621  -2.298   1.264
 9625TIP3    H235185   2.617  -2.163   1.335
 9626TIP3   OH235186   1.661  -2.063   1.194
 9626TIP3    H135187   1.633  -2.126   1.125
 9626TIP3    H235188   1.618  -2.101   1.273
 9627TIP3   OH235189   2.056  -2.465   1.091
 9627TIP3    H135190   2.116  -2.541   1.094
 9627TIP3    H235191   2.051  -2.449   0.995
 9628TIP3   OH235192   2.150  -2.280   1.279
 9628TIP3    H135193   2.120  -2.337   1.205
 9628TIP3    H235194   2.083  -2.210   1.278
 9629TIP3   OH235195   2.940  -1.202   1.279
 9629TIP3    H135196   2.845  -1.192   1.299
 9629TIP3    H235197   2.974  -1.115   1.304
 9630TIP3   OH235198   3.132  -1.518   0.014
 9630TIP3    H135199   3.052  -1.560   0.052
 9630TIP3    H235200   3.184  -1.495   0.093
 9631TIP3   OH235201   3.148  -1.548  -0.304
 9631TIP3    H135202   3.090  -1.520  -0.377
 9631TIP3    H235203   3.126  -1.485  -0.235
 9632TIP3   OH235204   2.977  -1.814  -0.475
 9632TIP3    H135205   2.993  -1.754  -0.549
 9632TIP3    H235206   2.946  -1.895  -0.521
 9633TIP3   OH235207   2.915  -1.686   0.116
 9633TIP3    H135208   2.903  -1.780   0.096
 9633TIP3    H235209   2.870  -1.677   0.203
 9634TIP3   OH235210   2.974  -1.503   1.030
 9634TIP3    H135211   3.051  -1.560   1.042
 9634TIP3    H235212   3.012  -1.416   1.016
 9635TIP3   OH235213   3.158  -1.691   1.138
 9635TIP3    H135214   3.068  -1.728   1.128
 9635TIP3    H235215   3.208  -1.774   1.146
 9636TIP3   OH235216   2.916  -2.078  -0.555
 9636TIP3    H135217   2.970  -2.131  -0.494
 9636TIP3    H235218   2.834  -2.128  -0.566
 9637TIP3   OH235219   2.902  -1.946  -0.056
 9637TIP3    H135220   2.922  -2.041  -0.054
 9637TIP3    H235221   2.981  -1.912  -0.103
 9638TIP3   OH235222   2.919  -1.894   0.481
 9638TIP3    H135223   3.014  -1.877   0.481
 9638TIP3    H235224   2.899  -1.886   0.576
 9639TIP3   OH235225   2.938  -1.815   0.761
 9639TIP3    H135226   2.850  -1.783   0.789
 9639TIP3    H235227   2.986  -1.731   0.751
 9640TIP3   OH235228   1.364  -1.925   1.170
 9640TIP3    H135229   1.442  -1.918   1.115
 9640TIP3    H235230   1.306  -1.982   1.118
 9641TIP3   OH235231   3.197  -2.402   1.296
 9641TIP3    H135232   3.233  -2.473   1.240
 9641TIP3    H235233   3.194  -2.327   1.234
 9642TIP3   OH235234   2.945  -2.229  -0.063
 9642TIP3    H135235   2.947  -2.261   0.029
 9642TIP3    H235236   2.866  -2.276  -0.097
 9643TIP3   OH235237   1.457  -2.121   0.420
 9643TIP3    H135238   1.510  -2.203   0.420
 9643TIP3    H235239   1.526  -2.056   0.437
 9644TIP3   OH235240   1.349  -1.821   0.508
 9644TIP3    H135241   1.377  -1.843   0.419
 9644TIP3    H235242   1.382  -1.731   0.518
 9645TIP3   OH235243   3.130  -2.200   1.118
 9645TIP3    H135244   3.042  -2.158   1.123
 9645TIP3    H235245   3.117  -2.255   1.038
 9646TIP3   OH235246   3.144  -2.185  -0.391
 9646TIP3    H135247   3.170  -2.262  -0.444
 9646TIP3    H235248   3.222  -2.128  -0.396
 9647TIP3   OH235249   1.353  -2.211  -0.088
 9647TIP3    H135250   1.262  -2.192  -0.115
 9647TIP3    H235251   1.405  -2.150  -0.141
 9648TIP3   OH235252   1.368  -2.313   0.734
 9648TIP3    H135253   1.298  -2.351   0.788
 9648TIP3    H235254   1.318  -2.258   0.670
 9649TIP3   OH235255   3.018  -2.376   0.916
 9649TIP3    H135256   2.937  -2.356   0.866
 9649TIP3    H235257   3.038  -2.466   0.882
 9650TIP3   OH235258   2.368  -2.230   0.373
 9650TIP3    H135259   2.290  -2.287   0.380
 9650TIP3    H235260   2.408  -2.263   0.291
 9651TIP3   OH235261   2.855  -2.424   0.410
 9651TIP3    H135262   2.929  -2.379   0.366
 9651TIP3    H235263   2.779  -2.399   0.355
 9652TIP3   OH235264   3.069  -2.316   0.203
 9652TIP3    H135265   3.134  -2.355   0.142
 9652TIP3    H235266   3.092  -2.222   0.203
 9653TIP3   OH235267   1.593  -2.349   0.132
 9653TIP3    H135268   1.524  -2.346   0.063
 9653TIP3    H235269   1.667  -2.386   0.084
 9654TIP3   OH235270   1.478  -2.405  -0.298
 9654TIP3    H135271   1.527  -2.336  -0.347
 9654TIP3    H235272   1.428  -2.350  -0.235
 9655TIP3   OH235273   2.055  -2.396   0.106
 9655TIP3    H135274   2.132  -2.339   0.096
 9655TIP3    H235275   2.029  -2.376   0.197
 9656TIP3   OH235276   2.615  -2.373   0.251
 9656TIP3    H135277   2.622  -2.380   0.155
 9656TIP3    H235278   2.560  -2.450   0.273
 9657TIP3   OH235279   2.716  -2.369  -0.156
 9657TIP3    H135280   2.636  -2.313  -0.164
 9657TIP3    H235281   2.676  -2.457  -0.144
 9658TIP3   OH235282   1.657  -2.220  -0.458
 9658TIP3    H135283   1.725  -2.274  -0.502
 9658TIP3    H235284   1.709  -2.186  -0.382
 9659TIP3   OH235285   2.170  -2.214  -0.196
 9659TIP3    H135286   2.182  -2.264  -0.114
 9659TIP3    H235287   2.161  -2.123  -0.163
 9660TIP3   OH235288   1.575  -2.330   1.067
 9660TIP3    H135289   1.536  -2.411   1.105
 9660TIP3    H235290   1.667  -2.338   1.096
 9661TIP3   OH235291   1.816  -2.392   1.247
 9661TIP3    H135292   1.896  -2.427   1.204
 9661TIP3    H235293   1.778  -2.473   1.286
 9662TIP3   OH235294   2.625  -2.484   1.262
 9662TIP3    H135295   2.630  -2.524   1.350
 9662TIP3    H235296   2.719  -2.486   1.235
 9663TIP3   OH235297   4.209  -1.566   0.453
 9663TIP3    H135298   4.283  -1.547   0.514
 9663TIP3    H235299   4.257  -1.573   0.370
 9664TIP3   OH235300   3.519  -1.590   0.668
 9664TIP3    H135301   3.570  -1.648   0.724
 9664TIP3    H235302   3.583  -1.520   0.647
 9665TIP3   OH235303   3.593  -1.109   0.459
 9665TIP3    H135304   3.560  -1.200   0.446
 9665TIP3    H235305   3.687  -1.124   0.477
 9666TIP3   OH235306   3.279  -1.768   0.012
 9666TIP3    H135307   3.233  -1.683   0.011
 9666TIP3    H235308   3.213  -1.825  -0.029
 9667TIP3   OH235309   3.356  -1.519   0.201
 9667TIP3    H135310   3.360  -1.605   0.246
 9667TIP3    H235311   3.432  -1.523   0.143
 9668TIP3   OH235312   4.122  -1.288   0.518
 9668TIP3    H135313   4.153  -1.365   0.467
 9668TIP3    H235314   4.204  -1.259   0.560
 9669TIP3   OH235315   3.743  -2.049   0.267
 9669TIP3    H135316   3.755  -1.965   0.218
 9669TIP3    H235317   3.711  -2.106   0.194
 9670TIP3   OH235318   3.420  -1.772   0.317
 9670TIP3    H135319   3.470  -1.834   0.371
 9670TIP3    H235320   3.412  -1.821   0.233
 9671TIP3   OH235321   3.952  -1.643   0.255
 9671TIP3    H135322   4.026  -1.692   0.298
 9671TIP3    H235323   3.900  -1.717   0.219
 9672TIP3   OH235324   3.628  -2.171   0.682
 9672TIP3    H135325   3.582  -2.132   0.606
 9672TIP3    H235326   3.561  -2.158   0.752
 9673TIP3   OH235327   3.910  -1.389   0.693
 9673TIP3    H135328   3.842  -1.323   0.720
 9673TIP3    H235329   3.981  -1.331   0.659
 9674TIP3   OH235330   3.586  -1.966   0.476
 9674TIP3    H135331   3.656  -1.911   0.513
 9674TIP3    H235332   3.636  -2.009   0.403
 9675TIP3   OH235333   3.710  -1.201   0.768
 9675TIP3    H135334   3.714  -1.112   0.729
 9675TIP3    H235335   3.623  -1.195   0.812
 9676TIP3   OH235336   4.044  -2.426   0.398
 9676TIP3    H135337   4.017  -2.520   0.395
 9676TIP3    H235338   3.964  -2.384   0.434
 9677TIP3   OH235339   4.278  -1.690  -0.436
 9677TIP3    H135340   4.332  -1.715  -0.358
 9677TIP3    H235341   4.285  -1.770  -0.489
 9678TIP3   OH235342   3.768  -1.453   0.145
 9678TIP3    H135343   3.718  -1.500   0.076
 9678TIP3    H235344   3.815  -1.525   0.192
 9679TIP3   OH235345   3.896  -1.120   0.435
 9679TIP3    H135346   3.890  -1.151   0.344
 9679TIP3    H235347   3.979  -1.160   0.466
 9680TIP3   OH235348   3.810  -1.576   0.507
 9680TIP3    H135349   3.871  -1.574   0.432
 9680TIP3    H235350   3.850  -1.508   0.566
 9681TIP3   OH235351   3.899  -1.139   0.989
 9681TIP3    H135352   3.851  -1.069   1.036
 9681TIP3    H235353   3.837  -1.160   0.917
 9682TIP3   OH235354   4.239  -0.929   0.079
 9682TIP3    H135355   4.297  -0.883   0.143
 9682TIP3    H235356   4.202  -0.855   0.030
 9683TIP3   OH235357   3.710  -0.921   1.071
 9683TIP3    H135358   3.704  -0.914   0.974
 9683TIP3    H235359   3.619  -0.946   1.097
 9684TIP3   OH235360   3.683  -1.561  -0.103
 9684TIP3    H135361   3.636  -1.492  -0.154
 9684TIP3    H235362   3.626  -1.638  -0.121
 9685TIP3   OH235363   3.261  -1.328   0.784
 9685TIP3    H135364   3.229  -1.314   0.693
 9685TIP3    H235365   3.245  -1.423   0.791
 9686TIP3   OH235366   4.174  -1.037   0.941
 9686TIP3    H135367   4.182  -0.946   0.973
 9686TIP3    H235368   4.082  -1.061   0.959
 9687TIP3   OH235369   4.183  -0.655  -0.074
 9687TIP3    H135370   4.205  -0.648  -0.168
 9687TIP3    H235371   4.205  -0.568  -0.038
 9688TIP3   OH235372   3.470  -1.150   0.900
 9688TIP3    H135373   3.496  -1.198   0.981
 9688TIP3    H235374   3.396  -1.204   0.867
 9689TIP3   OH235375   3.798  -2.306   0.480
 9689TIP3    H135376   3.717  -2.318   0.428
 9689TIP3    H235377   3.769  -2.237   0.541
 9690TIP3   OH235378   4.232  -2.373   0.908
 9690TIP3    H135379   4.246  -2.445   0.972
 9690TIP3    H235380   4.142  -2.393   0.877
 9691TIP3   OH235381   4.233  -2.095  -0.417
 9691TIP3    H135382   4.170  -2.115  -0.346
 9691TIP3    H235383   4.205  -2.157  -0.485
 9692TIP3   OH235384   3.784  -1.829   0.634
 9692TIP3    H135385   3.706  -1.828   0.690
 9692TIP3    H235386   3.787  -1.739   0.595
 9693TIP3   OH235387   3.771  -1.813   0.105
 9693TIP3    H135388   3.676  -1.833   0.094
 9693TIP3    H235389   3.806  -1.847   0.020
 9694TIP3   OH235390  -4.346  -1.780  -0.191
 9694TIP3    H135391  -4.395  -1.709  -0.147
 9694TIP3    H235392  -4.271  -1.789  -0.129
 9695TIP3   OH235393   4.247  -1.740   1.145
 9695TIP3    H135394   4.195  -1.822   1.159
 9695TIP3    H235395   4.337  -1.779   1.143
 9696TIP3   OH235396   3.866  -2.047  -0.532
 9696TIP3    H135397   3.821  -2.089  -0.456
 9696TIP3    H235398   3.791  -2.030  -0.592
 9697TIP3   OH235399   3.208  -2.054   0.169
 9697TIP3    H135400   3.263  -2.076   0.247
 9697TIP3    H235401   3.246  -2.107   0.097
 9698TIP3   OH235402   3.364  -2.019  -0.254
 9698TIP3    H135403   3.412  -1.973  -0.325
 9698TIP3    H235404   3.289  -1.959  -0.240
 9699TIP3   OH235405   4.340  -1.684   0.749
 9699TIP3    H135406   4.378  -1.745   0.683
 9699TIP3    H235407   4.274  -1.743   0.788
 9700TIP3   OH235408   4.050  -2.077   0.212
 9700TIP3    H135409   3.956  -2.078   0.235
 9700TIP3    H235410   4.091  -2.071   0.300
 9701TIP3   OH235411   3.513  -1.935   0.076
 9701TIP3    H135412   3.426  -1.913   0.039
 9701TIP3    H235413   3.534  -2.019   0.032
 9702TIP3   OH235414   3.873  -1.896  -0.144
 9702TIP3    H135415   3.970  -1.899  -0.151
 9702TIP3    H235416   3.843  -1.857  -0.229
 9703TIP3   OH235417   3.724  -1.784  -0.368
 9703TIP3    H135418   3.662  -1.810  -0.438
 9703TIP3    H235419   3.799  -1.752  -0.422
 9704TIP3   OH235420   3.582  -1.345   1.102
 9704TIP3    H135421   3.651  -1.327   1.168
 9704TIP3    H235422   3.502  -1.335   1.157
 9705TIP3   OH235423   4.146  -1.842   0.349
 9705TIP3    H135424   4.225  -1.888   0.318
 9705TIP3    H235425   4.158  -1.850   0.446
 9706TIP3   OH235426   3.686  -2.168   0.016
 9706TIP3    H135427   3.624  -2.241   0.029
 9706TIP3    H235428   3.762  -2.213  -0.024
 9707TIP3   OH235429   4.045  -1.970   0.623
 9707TIP3    H135430   3.974  -1.905   0.618
 9707TIP3    H235431   4.102  -1.933   0.693
 9708TIP3   OH235432   4.187  -1.340   0.937
 9708TIP3    H135433   4.195  -1.348   1.032
 9708TIP3    H235434   4.214  -1.249   0.920
 9709TIP3   OH235435   3.578  -1.396   0.407
 9709TIP3    H135436   3.624  -1.388   0.322
 9709TIP3    H235437   3.595  -1.488   0.430
 9710TIP3   OH235438   4.266  -1.211  -0.278
 9710TIP3    H135439   4.254  -1.116  -0.256
 9710TIP3    H235440   4.174  -1.240  -0.277
 9711TIP3   OH235441   3.992  -1.622   1.100
 9711TIP3    H135442   3.995  -1.627   1.002
 9711TIP3    H235443   4.086  -1.638   1.119
 9712TIP3   OH235444   3.817  -1.061   0.113
 9712TIP3    H135445   3.859  -0.974   0.114
 9712TIP3    H235446   3.724  -1.036   0.108
 9713TIP3   OH235447   3.408  -1.578  -0.416
 9713TIP3    H135448   3.460  -1.505  -0.380
 9713TIP3    H235449   3.318  -1.554  -0.386
 9714TIP3   OH235450   3.981  -1.313   0.033
 9714TIP3    H135451   3.998  -1.220   0.057
 9714TIP3    H235452   3.918  -1.335   0.105
 9715TIP3   OH235453   4.021  -0.857   0.719
 9715TIP3    H135454   4.077  -0.785   0.683
 9715TIP3    H235455   4.087  -0.909   0.766
 9716TIP3   OH235456   3.827  -0.759   0.036
 9716TIP3    H135457   3.738  -0.743   0.068
 9716TIP3    H235458   3.873  -0.676   0.063
 9717TIP3   OH235459   3.446  -2.072   0.881
 9717TIP3    H135460   3.356  -2.044   0.853
 9717TIP3    H235461   3.428  -2.159   0.919
 9718TIP3   OH235462   3.427  -0.900   0.709
 9718TIP3    H135463   3.443  -0.995   0.705
 9718TIP3    H235464   3.438  -0.881   0.802
 9719TIP3   OH235465   3.994  -1.048  -0.575
 9719TIP3    H135466   4.025  -1.120  -0.634
 9719TIP3    H235467   3.965  -1.100  -0.498
 9720TIP3   OH235468   3.925  -1.136  -0.277
 9720TIP3    H135469   3.925  -1.151  -0.182
 9720TIP3    H235470   3.916  -1.039  -0.279
 9721TIP3   OH235471   3.554  -1.337  -0.244
 9721TIP3    H135472   3.471  -1.301  -0.211
 9721TIP3    H235473   3.591  -1.258  -0.288
 9722TIP3   OH235474   4.332  -2.066   0.792
 9722TIP3    H135475   4.394  -2.139   0.805
 9722TIP3    H235476   4.273  -2.105   0.726
 9723TIP3   OH235477   4.169  -0.943  -0.252
 9723TIP3    H135478   4.091  -0.890  -0.228
 9723TIP3    H235479   4.215  -0.882  -0.310
 9724TIP3   OH235480   4.137  -1.947  -0.032
 9724TIP3    H135481   4.232  -1.939  -0.023
 9724TIP3    H235482   4.111  -1.983   0.055
 9725TIP3   OH235483   4.164  -1.874   0.877
 9725TIP3    H135484   4.189  -1.831   0.960
 9725TIP3    H235485   4.230  -1.947   0.871
 9726TIP3   OH235486   4.193  -2.269   0.074
 9726TIP3    H135487   4.168  -2.191   0.128
 9726TIP3    H235488   4.272  -2.238   0.027
 9727TIP3   OH235489   3.889  -0.841  -0.243
 9727TIP3    H135490   3.891  -0.760  -0.299
 9727TIP3    H235491   3.873  -0.803  -0.155
 9728TIP3   OH235492   3.768  -2.162  -0.300
 9728TIP3    H135493   3.766  -2.090  -0.236
 9728TIP3    H235494   3.847  -2.213  -0.274
 9729TIP3   OH235495   3.622  -1.085  -0.374
 9729TIP3    H135496   3.684  -1.012  -0.357
 9729TIP3    H235497   3.664  -1.126  -0.451
 9730TIP3   OH235498   3.424  -1.855  -0.475
 9730TIP3    H135499   3.429  -1.760  -0.454
 9730TIP3    H235500   3.341  -1.861  -0.525
 9731TIP3   OH235501   3.517  -2.352   0.401
 9731TIP3    H135502   3.498  -2.355   0.305
 9731TIP3    H235503   3.483  -2.438   0.431
 9732TIP3   OH235504   3.350  -0.709   1.137
 9732TIP3    H135505   3.397  -0.743   1.215
 9732TIP3    H235506   3.296  -0.787   1.110
 9733TIP3   OH235507   3.811  -0.809   1.323
 9733TIP3    H135508   3.882  -0.872   1.341
 9733TIP3    H235509   3.789  -0.832   1.231
 9734TIP3   OH235510   4.230  -0.883  -0.548
 9734TIP3    H135511   4.145  -0.931  -0.544
 9734TIP3    H235512   4.290  -0.958  -0.564
 9735TIP3   OH235513   3.345  -1.351   1.247
 9735TIP3    H135514   3.328  -1.446   1.237
 9735TIP3    H235515   3.270  -1.314   1.195
 9736TIP3   OH235516   3.766  -1.309  -0.534
 9736TIP3    H135517   3.773  -1.395  -0.490
 9736TIP3    H235518   3.846  -1.310  -0.590
 9737TIP3   OH235519   3.999  -1.332   1.190
 9737TIP3    H135520   3.982  -1.293   1.102
 9737TIP3    H235521   4.016  -1.425   1.170
 9738TIP3   OH235522   4.265  -1.173  -0.586
 9738TIP3    H135523   4.283  -1.165  -0.491
 9738TIP3    H235524   4.246  -1.269  -0.594
 9739TIP3   OH235525   3.721  -1.668   0.900
 9739TIP3    H135526   3.753  -1.605   0.967
 9739TIP3    H235527   3.804  -1.682   0.851
 9740TIP3   OH235528   3.983  -1.668  -0.458
 9740TIP3    H135529   3.960  -1.670  -0.552
 9740TIP3    H235530   4.080  -1.668  -0.463
 9741TIP3   OH235531   4.278  -1.476   1.285
 9741TIP3    H135532   4.353  -1.501   1.230
 9741TIP3    H235533   4.270  -1.556   1.339
 9742TIP3   OH235534   3.856  -1.994   1.031
 9742TIP3    H135535   3.862  -2.064   0.963
 9742TIP3    H235536   3.849  -1.916   0.976
 9743TIP3   OH235537   3.885  -2.143   0.777
 9743TIP3    H135538   3.936  -2.093   0.710
 9743TIP3    H235539   3.795  -2.147   0.739
 9744TIP3   OH235540   4.050  -1.607   0.813
 9744TIP3    H135541   4.130  -1.617   0.758
 9744TIP3    H235542   4.025  -1.516   0.790
 9745TIP3   OH235543   3.655  -1.799   1.170
 9745TIP3    H135544   3.609  -1.870   1.219
 9745TIP3    H235545   3.746  -1.834   1.168
 9746TIP3   OH235546   3.971  -2.409   0.810
 9746TIP3    H135547   3.946  -2.316   0.793
 9746TIP3    H235548   3.905  -2.457   0.755
 9747TIP3   OH235549   4.101  -1.962   1.185
 9747TIP3    H135550   4.068  -1.994   1.271
 9747TIP3    H235551   4.028  -1.989   1.127
 9748TIP3   OH235552   3.536  -2.065   1.193
 9748TIP3    H135553   3.530  -2.139   1.129
 9748TIP3    H235554   3.519  -2.112   1.277
 9749TIP3   OH235555   3.947  -2.462   1.093
 9749TIP3    H135556   4.004  -2.540   1.098
 9749TIP3    H235557   3.943  -2.449   0.996
 9750TIP3   OH235558   4.037  -2.280   1.285
 9750TIP3    H135559   4.011  -2.339   1.211
 9750TIP3    H235560   3.968  -2.213   1.281
 9751TIP3   OH235561   3.957  -0.584  -0.373
 9751TIP3    H135562   4.052  -0.568  -0.366
 9751TIP3    H235563   3.936  -0.531  -0.452
 9752TIP3   OH235564   3.322  -1.131  -0.420
 9752TIP3    H135565   3.415  -1.115  -0.399
 9752TIP3    H235566   3.325  -1.210  -0.477
 9753TIP3   OH235567   3.270  -1.479   0.499
 9753TIP3    H135568   3.281  -1.459   0.405
 9753TIP3    H235569   3.362  -1.474   0.530
 9754TIP3   OH235570   3.283  -1.942   1.134
 9754TIP3    H135571   3.370  -1.985   1.142
 9754TIP3    H235572   3.224  -2.020   1.135
 9755TIP3   OH235573   3.349  -2.108   0.411
 9755TIP3    H135574   3.390  -2.196   0.419
 9755TIP3    H235575   3.419  -2.051   0.449
 9756TIP3   OH235576   3.208  -1.833   0.525
 9756TIP3    H135577   3.251  -1.851   0.440
 9756TIP3    H235578   3.247  -1.747   0.547
 9757TIP3   OH235579   3.250  -2.203  -0.072
 9757TIP3    H135580   3.156  -2.206  -0.098
 9757TIP3    H235581   3.290  -2.149  -0.143
 9758TIP3   OH235582   3.258  -2.317   0.737
 9758TIP3    H135583   3.187  -2.348   0.796
 9758TIP3    H235584   3.206  -2.268   0.671
 9759TIP3   OH235585   3.446  -1.016   1.201
 9759TIP3    H135586   3.372  -1.008   1.138
 9759TIP3    H235587   3.401  -1.010   1.285
 9760TIP3   OH235588   3.748  -0.914   0.779
 9760TIP3    H135589   3.706  -0.836   0.736
 9760TIP3    H235590   3.842  -0.897   0.756
 9761TIP3   OH235591   4.219  -0.749   1.062
 9761TIP3    H135592   4.206  -0.786   1.150
 9761TIP3    H235593   4.314  -0.728   1.066
 9762TIP3   OH235594   3.459  -0.581   0.798
 9762TIP3    H135595   3.385  -0.552   0.744
 9762TIP3    H235596   3.416  -0.608   0.880
 9763TIP3   OH235597   3.725  -0.637   0.670
 9763TIP3    H135598   3.636  -0.616   0.705
 9763TIP3    H235599   3.731  -0.574   0.596
 9764TIP3   OH235600   4.194  -0.660   0.618
 9764TIP3    H135601   4.178  -0.612   0.535
 9764TIP3    H235602   4.261  -0.605   0.660
 9765TIP3   OH235603   3.624  -0.854   0.312
 9765TIP3    H135604   3.591  -0.930   0.364
 9765TIP3    H235605   3.698  -0.824   0.368
 9766TIP3   OH235606   3.908  -0.811   0.430
 9766TIP3    H135607   3.921  -0.904   0.408
 9766TIP3    H235608   3.913  -0.813   0.527
 9767TIP3   OH235609   4.259  -2.254   0.364
 9767TIP3    H135610   4.180  -2.310   0.377
 9767TIP3    H235611   4.300  -2.297   0.289
 9768TIP3   OH235612   3.482  -2.355   0.117
 9768TIP3    H135613   3.395  -2.366   0.074
 9768TIP3    H235614   3.521  -2.443   0.103
 9769TIP3   OH235615   3.369  -2.409  -0.290
 9769TIP3    H135616   3.412  -2.342  -0.347
 9769TIP3    H235617   3.317  -2.354  -0.230
 9770TIP3   OH235618   3.932  -2.368   0.106
 9770TIP3    H135619   4.027  -2.345   0.098
 9770TIP3    H235620   3.926  -2.385   0.201
 9771TIP3   OH235621   3.531  -2.225  -0.449
 9771TIP3    H135622   3.590  -2.279  -0.504
 9771TIP3    H235623   3.593  -2.192  -0.382
 9772TIP3   OH235624   4.079  -2.199  -0.191
 9772TIP3    H135625   4.067  -2.268  -0.123
 9772TIP3    H235626   4.049  -2.119  -0.145
 9773TIP3   OH235627   4.264  -0.650  -0.366
 9773TIP3    H135628   4.350  -0.608  -0.384
 9773TIP3    H235629   4.249  -0.704  -0.446
 9774TIP3   OH235630   3.464  -2.323   1.074
 9774TIP3    H135631   3.418  -2.404   1.102
 9774TIP3    H235632   3.555  -2.347   1.094
 9775TIP3   OH235633   3.702  -2.392   1.247
 9775TIP3    H135634   3.782  -2.430   1.206
 9775TIP3    H235635   3.662  -2.472   1.287
 9776TIP3   OH235636   3.520  -0.725  -0.493
 9776TIP3    H135637   3.502  -0.680  -0.409
 9776TIP3    H235638   3.606  -0.766  -0.479
 9777TIP3   OH235639  -3.161   0.406   0.146
 9777TIP3    H135640  -3.163   0.503   0.151
 9777TIP3    H235641  -3.236   0.388   0.088
 9778TIP3   OH235642  -3.267   0.351   0.456
 9778TIP3    H135643  -3.272   0.287   0.528
 9778TIP3    H235644  -3.293   0.295   0.381
 9779TIP3   OH235645  -4.031   0.308   0.617
 9779TIP3    H135646  -4.032   0.233   0.680
 9779TIP3    H235647  -3.957   0.360   0.650
 9780TIP3   OH235648  -2.903   0.625   0.283
 9780TIP3    H135649  -2.941   0.551   0.333
 9780TIP3    H235650  -2.876   0.684   0.354
 9781TIP3   OH235651  -3.960   0.768   0.471
 9781TIP3    H135652  -3.988   0.679   0.440
 9781TIP3    H235653  -3.865   0.753   0.482
 9782TIP3   OH235654  -4.182   0.190  -0.072
 9782TIP3    H135655  -4.218   0.267  -0.025
 9782TIP3    H235656  -4.221   0.119  -0.020
 9783TIP3   OH235657  -4.211   0.349   0.181
 9783TIP3    H135658  -4.182   0.281   0.244
 9783TIP3    H235659  -4.128   0.387   0.150
 9784TIP3   OH235660  -3.197   1.161   0.340
 9784TIP3    H135661  -3.141   1.088   0.307
 9784TIP3    H235662  -3.230   1.125   0.424
 9785TIP3   OH235663  -3.425   0.599   0.510
 9785TIP3    H135664  -3.395   0.529   0.449
 9785TIP3    H235665  -3.342   0.613   0.559
 9786TIP3   OH235666  -3.092   0.027   0.560
 9786TIP3    H135667  -3.088  -0.071   0.562
 9786TIP3    H235668  -3.108   0.041   0.465
 9787TIP3   OH235669  -3.809  -0.157   0.263
 9787TIP3    H135670  -3.785  -0.076   0.214
 9787TIP3    H235671  -3.833  -0.217   0.191
 9788TIP3   OH235672  -3.020  -0.150   0.104
 9788TIP3    H135673  -2.970  -0.199   0.171
 9788TIP3    H235674  -2.951  -0.103   0.055
 9789TIP3   OH235675  -4.137   0.108   0.322
 9789TIP3    H135676  -4.076   0.064   0.383
 9789TIP3    H235677  -4.121   0.056   0.241
 9790TIP3   OH235678  -3.593   0.244   0.266
 9790TIP3    H135679  -3.521   0.189   0.303
 9790TIP3    H235680  -3.642   0.179   0.213
 9791TIP3   OH235681  -3.921  -0.288   0.690
 9791TIP3    H135682  -3.956  -0.251   0.607
 9791TIP3    H235683  -3.985  -0.256   0.755
 9792TIP3   OH235684  -3.161   0.697   0.017
 9792TIP3    H135685  -3.206   0.660  -0.060
 9792TIP3    H235686  -3.216   0.775   0.038
 9793TIP3   OH235687  -3.622   0.502   0.697
 9793TIP3    H135688  -3.697   0.560   0.721
 9793TIP3    H235689  -3.563   0.562   0.648
 9794TIP3   OH235690  -3.957  -0.078   0.477
 9794TIP3    H135691  -3.888  -0.023   0.518
 9794TIP3    H235692  -3.903  -0.120   0.406
 9795TIP3   OH235693  -3.827   0.688   0.772
 9795TIP3    H135694  -3.830   0.777   0.732
 9795TIP3    H235695  -3.917   0.682   0.809
 9796TIP3   OH235696  -2.842   0.802   0.534
 9796TIP3    H135697  -2.939   0.812   0.534
 9796TIP3    H235698  -2.815   0.890   0.503
 9797TIP3   OH235699  -3.017   0.997   0.196
 9797TIP3    H135700  -2.973   0.917   0.160
 9797TIP3    H235701  -2.952   1.066   0.174
 9798TIP3   OH235702  -2.871   0.781   0.042
 9798TIP3    H135703  -2.934   0.738  -0.017
 9798TIP3    H235704  -2.875   0.723   0.120
 9799TIP3   OH235705  -3.295   0.362  -0.129
 9799TIP3    H135706  -3.366   0.416  -0.170
 9799TIP3    H235707  -3.227   0.363  -0.198
 9800TIP3   OH235708  -3.266   0.177  -0.424
 9800TIP3    H135709  -3.194   0.207  -0.366
 9800TIP3    H235710  -3.218   0.116  -0.482
 9801TIP3   OH235711  -2.946   0.366  -0.027
 9801TIP3    H135712  -3.014   0.378   0.043
 9801TIP3    H235713  -2.883   0.306   0.018
 9802TIP3   OH235714  -2.941   0.194   0.856
 9802TIP3    H135715  -2.945   0.268   0.918
 9802TIP3    H235716  -3.010   0.221   0.792
 9803TIP3   OH235717  -3.784   0.435   0.156
 9803TIP3    H135718  -3.818   0.400   0.071
 9803TIP3    H235719  -3.721   0.365   0.182
 9804TIP3   OH235720  -3.648   0.774   0.432
 9804TIP3    H135721  -3.662   0.741   0.342
 9804TIP3    H235722  -3.568   0.725   0.459
 9805TIP3   OH235723  -3.730   0.317   0.505
 9805TIP3    H135724  -3.674   0.315   0.424
 9805TIP3    H235725  -3.684   0.382   0.561
 9806TIP3   OH235726  -3.131   0.867   0.561
 9806TIP3    H135727  -3.129   0.933   0.632
 9806TIP3    H235728  -3.151   0.784   0.607
 9807TIP3   OH235729  -3.642   0.747   0.988
 9807TIP3    H135730  -3.695   0.813   1.035
 9807TIP3    H235731  -3.705   0.719   0.918
 9808TIP3   OH235732  -3.046   0.308  -0.284
 9808TIP3    H135733  -3.002   0.332  -0.200
 9808TIP3    H235734  -2.991   0.356  -0.350
 9809TIP3   OH235735  -3.954   0.380   0.905
 9809TIP3    H135736  -3.948   0.441   0.981
 9809TIP3    H235737  -4.050   0.378   0.890
 9810TIP3   OH235738  -3.297   0.963   0.078
 9810TIP3    H135739  -3.258   0.993   0.161
 9810TIP3    H235740  -3.354   1.037   0.052
 9811TIP3   OH235741  -3.835   0.963   1.072
 9811TIP3    H135742  -3.841   0.968   0.975
 9811TIP3    H235743  -3.927   0.944   1.098
 9812TIP3   OH235744  -2.696  -0.522  -0.349
 9812TIP3    H135745  -2.764  -0.532  -0.279
 9812TIP3    H235746  -2.642  -0.451  -0.314
 9813TIP3   OH235747  -3.895   0.313  -0.095
 9813TIP3    H135748  -3.922   0.397  -0.139
 9813TIP3    H235749  -3.973   0.258  -0.115
 9814TIP3   OH235750  -4.267   0.591   0.762
 9814TIP3    H135751  -4.286   0.558   0.672
 9814TIP3    H235752  -4.306   0.520   0.815
 9815TIP3   OH235753  -4.284   0.866   0.463
 9815TIP3    H135754  -4.197   0.826   0.476
 9815TIP3    H235755  -4.296   0.920   0.541
 9816TIP3   OH235756  -2.450   0.924   1.041
 9816TIP3    H135757  -2.466   0.829   1.027
 9816TIP3    H235758  -2.533   0.952   1.083
 9817TIP3   OH235759  -3.379   0.852   0.931
 9817TIP3    H135760  -3.372   0.934   0.983
 9817TIP3    H235761  -3.469   0.821   0.953
 9818TIP3   OH235762  -3.359   1.243  -0.063
 9818TIP3    H135763  -3.354   1.232  -0.160
 9818TIP3    H235764  -3.333   1.335  -0.049
 9819TIP3   OH235765  -3.984   1.145   0.092
 9819TIP3    H135766  -3.962   1.100   0.175
 9819TIP3    H235767  -4.052   1.083   0.058
 9820TIP3   OH235768  -3.014   1.172  -0.363
 9820TIP3    H135769  -2.957   1.108  -0.410
 9820TIP3    H235770  -3.020   1.131  -0.275
 9821TIP3   OH235771  -3.079   1.126  -0.072
 9821TIP3    H135772  -3.176   1.127  -0.063
 9821TIP3    H235773  -3.060   1.047  -0.019
 9822TIP3   OH235774  -2.767   0.062   1.085
 9822TIP3    H135775  -2.814   0.102   1.010
 9822TIP3    H235776  -2.770  -0.031   1.059
 9823TIP3   OH235777  -4.074   0.732   0.912
 9823TIP3    H135778  -4.042   0.671   0.981
 9823TIP3    H235779  -4.148   0.682   0.870
 9824TIP3   OH235780  -3.730  -0.373   0.482
 9824TIP3    H135781  -3.779  -0.437   0.429
 9824TIP3    H235782  -3.784  -0.362   0.561
 9825TIP3   OH235783  -3.309  -0.458   0.894
 9825TIP3    H135784  -3.255  -0.535   0.918
 9825TIP3    H235785  -3.394  -0.498   0.867
 9826TIP3   OH235786  -2.945  -0.105   0.916
 9826TIP3    H135787  -3.021  -0.127   0.973
 9826TIP3    H235788  -2.973  -0.024   0.871
 9827TIP3   OH235789  -2.873   0.414  -0.481
 9827TIP3    H135790  -2.893   0.391  -0.574
 9827TIP3    H235791  -2.783   0.446  -0.489
 9828TIP3   OH235792  -3.331  -0.213  -0.425
 9828TIP3    H135793  -3.379  -0.228  -0.343
 9828TIP3    H235794  -3.369  -0.282  -0.481
 9829TIP3   OH235795  -3.757   0.059   0.627
 9829TIP3    H135796  -3.825   0.067   0.695
 9829TIP3    H235797  -3.755   0.148   0.586
 9830TIP3   OH235798  -3.769   0.068   0.108
 9830TIP3    H135799  -3.864   0.062   0.091
 9830TIP3    H235800  -3.733   0.048   0.019
 9831TIP3   OH235801  -3.207   0.123  -0.008
 9831TIP3    H135802  -3.251   0.203  -0.045
 9831TIP3    H235803  -3.140   0.105  -0.076
 9832TIP3   OH235804  -3.284   0.141   1.134
 9832TIP3    H135805  -3.335   0.063   1.162
 9832TIP3    H235806  -3.195   0.120   1.168
 9833TIP3   OH235807  -3.109   0.066   0.267
 9833TIP3    H135808  -3.145   0.120   0.195
 9833TIP3    H235809  -3.098  -0.019   0.220
 9834TIP3   OH235810  -4.025   0.074   0.809
 9834TIP3    H135811  -3.993   0.109   0.893
 9834TIP3    H235812  -4.055  -0.015   0.835
 9835TIP3   OH235813  -3.686  -0.169  -0.536
 9835TIP3    H135814  -3.721  -0.203  -0.451
 9835TIP3    H235815  -3.766  -0.155  -0.588
 9836TIP3   OH235816  -4.327  -0.176   0.173
 9836TIP3    H135817  -4.302  -0.193   0.266
 9836TIP3    H235818  -4.272  -0.239   0.126
 9837TIP3   OH235819  -4.212  -0.115  -0.239
 9837TIP3    H135820  -4.149  -0.094  -0.310
 9837TIP3    H235821  -4.295  -0.085  -0.279
 9838TIP3   OH235822  -3.198   0.226   0.720
 9838TIP3    H135823  -3.161   0.154   0.664
 9838TIP3    H235824  -3.241   0.176   0.790
 9839TIP3   OH235825  -3.487  -0.167   0.222
 9839TIP3    H135826  -3.581  -0.189   0.238
 9839TIP3    H235827  -3.446  -0.214   0.297
 9840TIP3   OH235828  -4.043  -0.055   0.080
 9840TIP3    H135829  -4.114  -0.044   0.017
 9840TIP3    H235830  -3.998  -0.135   0.045
 9841TIP3   OH235831  -3.672  -0.022  -0.150
 9841TIP3    H135832  -3.575  -0.014  -0.144
 9841TIP3    H235833  -3.697   0.041  -0.220
 9842TIP3   OH235834  -3.085  -0.249   0.518
 9842TIP3    H135835  -3.129  -0.278   0.599
 9842TIP3    H235836  -3.113  -0.319   0.457
 9843TIP3   OH235837  -3.824   0.100  -0.375
 9843TIP3    H135838  -3.882   0.072  -0.447
 9843TIP3    H235839  -3.743   0.123  -0.422
 9844TIP3   OH235840  -2.750   1.314   1.182
 9844TIP3    H135841  -2.727   1.360   1.099
 9844TIP3    H235842  -2.679   1.345   1.242
 9845TIP3   OH235843  -3.952   0.576   1.125
 9845TIP3    H135844  -3.890   0.580   1.200
 9845TIP3    H235845  -4.037   0.586   1.173
 9846TIP3   OH235846  -3.381   0.082   0.403
 9846TIP3    H135847  -3.323   0.029   0.347
 9846TIP3    H235848  -3.406   0.016   0.471
 9847TIP3   OH235849  -3.875  -0.285   0.014
 9847TIP3    H135850  -3.913  -0.372   0.028
 9847TIP3    H235851  -3.786  -0.309  -0.014
 9848TIP3   OH235852  -3.483  -0.071   0.618
 9848TIP3    H135853  -3.568  -0.025   0.621
 9848TIP3    H235854  -3.444  -0.054   0.706
 9849TIP3   OH235855  -3.477   0.566  -0.191
 9849TIP3    H135856  -3.554   0.518  -0.231
 9849TIP3    H235857  -3.501   0.567  -0.096
 9850TIP3   OH235858  -2.749   0.491   0.713
 9850TIP3    H135859  -2.682   0.516   0.647
 9850TIP3    H235860  -2.820   0.458   0.656
 9851TIP3   OH235861  -3.062  -0.151  -0.412
 9851TIP3    H135862  -3.161  -0.157  -0.414
 9851TIP3    H235863  -3.046  -0.079  -0.348
 9852TIP3   OH235864  -3.299   0.565   0.944
 9852TIP3    H135865  -3.337   0.527   1.024
 9852TIP3    H235866  -3.340   0.653   0.942
 9853TIP3   OH235867  -2.996   0.031  -0.204
 9853TIP3    H135868  -2.908   0.011  -0.168
 9853TIP3    H235869  -2.980   0.115  -0.252
 9854TIP3   OH235870  -3.972   0.496   0.384
 9854TIP3    H135871  -3.912   0.487   0.307
 9854TIP3    H235872  -3.959   0.411   0.429
 9855TIP3   OH235873  -3.237   0.697  -0.295
 9855TIP3    H135874  -3.263   0.782  -0.254
 9855TIP3    H235875  -3.314   0.641  -0.271
 9856TIP3   OH235876  -4.242   0.347   0.950
 9856TIP3    H135877  -4.230   0.279   1.018
 9856TIP3    H235878  -4.287   0.296   0.879
 9857TIP3   OH235879  -3.540   0.279   1.120
 9857TIP3    H135880  -3.578   0.252   1.034
 9857TIP3    H235881  -3.448   0.250   1.108
 9858TIP3   OH235882  -3.079   0.829   0.900
 9858TIP3    H135883  -3.173   0.823   0.874
 9858TIP3    H235884  -3.088   0.853   0.994
 9859TIP3   OH235885  -2.532   0.643   1.015
 9859TIP3    H135886  -2.594   0.623   0.944
 9859TIP3    H235887  -2.450   0.621   0.965
 9860TIP3   OH235888  -2.704   0.891  -0.235
 9860TIP3    H135889  -2.741   0.812  -0.193
 9860TIP3    H235890  -2.648   0.856  -0.305
 9861TIP3   OH235891  -2.978   0.414   0.524
 9861TIP3    H135892  -3.070   0.398   0.495
 9861TIP3    H235893  -2.933   0.340   0.478
 9862TIP3   OH235894  -3.730   0.833   0.132
 9862TIP3    H135895  -3.690   0.916   0.101
 9862TIP3    H235896  -3.816   0.835   0.088
 9863TIP3   OH235897  -4.150   0.334  -0.407
 9863TIP3    H135898  -4.078   0.386  -0.364
 9863TIP3    H235899  -4.222   0.394  -0.384
 9864TIP3   OH235900  -3.541   0.601   0.088
 9864TIP3    H135901  -3.578   0.690   0.096
 9864TIP3    H235902  -3.614   0.546   0.122
 9865TIP3   OH235903  -3.527   1.025   0.718
 9865TIP3    H135904  -3.471   1.098   0.687
 9865TIP3    H235905  -3.464   0.975   0.773
 9866TIP3   OH235906  -3.681   1.120   0.041
 9866TIP3    H135907  -3.777   1.127   0.047
 9866TIP3    H235908  -3.652   1.210   0.063
 9867TIP3   OH235909  -3.170   0.601   0.685
 9867TIP3    H135910  -3.211   0.564   0.765
 9867TIP3    H235911  -3.110   0.530   0.657
 9868TIP3   OH235912  -2.964   0.738  -0.426
 9868TIP3    H135913  -2.922   0.689  -0.354
 9868TIP3    H235914  -3.058   0.720  -0.407
 9869TIP3   OH235915  -2.890   1.056   0.913
 9869TIP3    H135916  -2.966   1.013   0.868
 9869TIP3    H235917  -2.877   1.136   0.859
 9870TIP3   OH235918  -4.110  -0.188   0.900
 9870TIP3    H135919  -4.185  -0.166   0.841
 9870TIP3    H235920  -4.122  -0.283   0.920
 9871TIP3   OH235921  -2.818   0.589  -0.196
 9871TIP3    H135922  -2.875   0.522  -0.155
 9871TIP3    H235923  -2.740   0.580  -0.142
 9872TIP3   OH235924  -4.129   0.974   0.726
 9872TIP3    H135925  -4.111   0.879   0.731
 9872TIP3    H235926  -4.093   1.003   0.811
 9873TIP3   OH235927  -3.542   0.834  -0.576
 9873TIP3    H135928  -3.518   0.752  -0.621
 9873TIP3    H235929  -3.591   0.799  -0.498
 9874TIP3   OH235930  -3.648   0.788  -0.325
 9874TIP3    H135931  -3.645   0.727  -0.250
 9874TIP3    H235932  -3.667   0.874  -0.283
 9875TIP3   OH235933  -3.218  -0.192   0.779
 9875TIP3    H135934  -3.131  -0.211   0.818
 9875TIP3    H235935  -3.261  -0.280   0.785
 9876TIP3   OH235936  -3.136  -0.279  -0.134
 9876TIP3    H135937  -3.121  -0.224  -0.213
 9876TIP3    H235938  -3.095  -0.227  -0.063
 9877TIP3   OH235939  -3.356   0.970  -0.237
 9877TIP3    H135940  -3.451   0.990  -0.232
 9877TIP3    H235941  -3.336   0.990  -0.330
 9878TIP3   OH235942  -3.405  -0.079  -0.043
 9878TIP3    H135943  -3.329  -0.019  -0.028
 9878TIP3    H235944  -3.434  -0.098   0.048
 9879TIP3   OH235945  -3.386   0.007   0.887
 9879TIP3    H135946  -3.350   0.063   0.957
 9879TIP3    H235947  -3.318  -0.063   0.875
 9880TIP3   OH235948  -3.341  -0.379   0.047
 9880TIP3    H135949  -3.358  -0.318   0.121
 9880TIP3    H235950  -3.269  -0.335  -0.001
 9881TIP3   OH235951  -3.638   1.061  -0.243
 9881TIP3    H135952  -3.652   1.142  -0.296
 9881TIP3    H235953  -3.657   1.091  -0.153
 9882TIP3   OH235954  -3.773  -0.275  -0.295
 9882TIP3    H135955  -3.768  -0.198  -0.236
 9882TIP3    H235956  -3.694  -0.325  -0.266
 9883TIP3   OH235957  -2.874   0.188   0.380
 9883TIP3    H135958  -2.954   0.147   0.340
 9883TIP3    H235959  -2.824   0.109   0.405
 9884TIP3   OH235960  -4.114   0.025  -0.472
 9884TIP3    H135961  -4.103   0.120  -0.452
 9884TIP3    H235962  -4.195   0.021  -0.523
 9885TIP3   OH235963  -2.777   1.086   0.519
 9885TIP3    H135964  -2.804   1.158   0.459
 9885TIP3    H235965  -2.681   1.103   0.523
 9886TIP3   OH235966  -4.041  -0.472   0.405
 9886TIP3    H135967  -4.054  -0.477   0.308
 9886TIP3    H235968  -4.071  -0.561   0.434
 9887TIP3   OH235969  -4.130   0.914   0.035
 9887TIP3    H135970  -4.226   0.905   0.024
 9887TIP3    H235971  -4.098   0.881  -0.050
 9888TIP3   OH235972  -4.215   1.166   1.148
 9888TIP3    H135973  -4.151   1.166   1.222
 9888TIP3    H235974  -4.214   1.071   1.131
 9889TIP3   OH235975  -3.727   1.079   1.321
 9889TIP3    H135976  -3.657   1.014   1.341
 9889TIP3    H235977  -3.750   1.053   1.231
 9890TIP3   OH235978  -3.323   1.002  -0.521
 9890TIP3    H135979  -3.400   0.942  -0.536
 9890TIP3    H235980  -3.253   0.951  -0.564
 9891TIP3   OH235981  -3.061   0.892   1.173
 9891TIP3    H135982  -3.116   0.824   1.216
 9891TIP3    H235983  -3.009   0.926   1.248
 9892TIP3   OH235984  -2.825   1.006  -0.536
 9892TIP3    H135985  -2.823   0.916  -0.501
 9892TIP3    H235986  -2.760   1.001  -0.607
 9893TIP3   OH235987  -4.199   0.572   1.211
 9893TIP3    H135988  -4.189   0.482   1.176
 9893TIP3    H235989  -4.285   0.598   1.174
 9894TIP3   OH235990  -3.777   0.571  -0.562
 9894TIP3    H135991  -3.776   0.548  -0.468
 9894TIP3    H235992  -3.684   0.567  -0.586
 9895TIP3   OH235993  -3.539   0.556   1.188
 9895TIP3    H135994  -3.569   0.588   1.102
 9895TIP3    H235995  -3.530   0.460   1.173
 9896TIP3   OH235996  -3.252   0.710  -0.582
 9896TIP3    H135997  -3.264   0.704  -0.485
 9896TIP3    H235998  -3.260   0.615  -0.605
 9897TIP3   OH235999  -2.952   0.568   0.943
 9897TIP3    H136000  -2.906   0.565   0.857
 9897TIP3    H236001  -3.041   0.600   0.917
 9898TIP3   OH236002  -4.135   0.241   1.188
 9898TIP3    H136003  -4.054   0.187   1.175
 9898TIP3    H236004  -4.122   0.271   1.279
 9899TIP3   OH236005  -3.662   0.386  -0.307
 9899TIP3    H136006  -3.738   0.349  -0.259
 9899TIP3    H236007  -3.645   0.317  -0.373
 9900TIP3   OH236008  -3.751   0.166   0.922
 9900TIP3    H136009  -3.806   0.246   0.931
 9900TIP3    H236010  -3.689   0.192   0.851
 9901TIP3   OH236011  -3.577   0.184  -0.487
 9901TIP3    H136012  -3.579   0.197  -0.583
 9901TIP3    H236013  -3.481   0.184  -0.469
 9902TIP3   OH236014  -3.218   0.435   1.272
 9902TIP3    H136015  -3.129   0.414   1.239
 9902TIP3    H236016  -3.246   0.349   1.305
 9903TIP3   OH236017  -3.688  -0.107   1.033
 9903TIP3    H136018  -3.680  -0.174   0.962
 9903TIP3    H236019  -3.704  -0.027   0.980
 9904TIP3   OH236020  -3.658  -0.254   0.778
 9904TIP3    H136021  -3.605  -0.217   0.706
 9904TIP3    H236022  -3.747  -0.259   0.737
 9905TIP3   OH236023  -3.494   0.289   0.819
 9905TIP3    H136024  -3.417   0.275   0.761
 9905TIP3    H236025  -3.532   0.371   0.783
 9906TIP3   OH236026  -3.040   0.061   1.305
 9906TIP3    H136027  -3.015  -0.030   1.285
 9906TIP3    H236028  -2.954   0.105   1.300
 9907TIP3   OH236029  -2.954   0.350   1.130
 9907TIP3    H136030  -2.970   0.424   1.068
 9907TIP3    H236031  -2.860   0.330   1.110
 9908TIP3   OH236032  -3.878   0.080   1.210
 9908TIP3    H136033  -3.928  -0.004   1.207
 9908TIP3    H236034  -3.799   0.056   1.159
 9909TIP3   OH236035  -3.578  -0.529   0.812
 9909TIP3    H136036  -3.598  -0.435   0.790
 9909TIP3    H236037  -3.640  -0.575   0.752
 9910TIP3   OH236038  -3.454  -0.075   1.203
 9910TIP3    H136039  -3.512  -0.089   1.280
 9910TIP3    H236040  -3.520  -0.089   1.131
 9911TIP3   OH236041  -3.184  -0.162   1.086
 9911TIP3    H136042  -3.280  -0.166   1.096
 9911TIP3    H236043  -3.155  -0.227   1.152
 9912TIP3   OH236044  -3.079  -0.295   1.342
 9912TIP3    H136045  -3.044  -0.374   1.294
 9912TIP3    H236046  -3.007  -0.275   1.402
 9913TIP3   OH236047  -4.004  -0.174   1.195
 9913TIP3    H136048  -4.016  -0.243   1.127
 9913TIP3    H236049  -4.033  -0.220   1.276
 9914TIP3   OH236050  -3.590  -0.572   1.100
 9914TIP3    H136051  -3.531  -0.650   1.098
 9914TIP3    H236052  -3.599  -0.557   1.003
 9915TIP3   OH236053  -3.480  -0.384   1.302
 9915TIP3    H136054  -3.497  -0.442   1.224
 9915TIP3    H236055  -3.554  -0.321   1.292
 9916TIP3   OH236056  -3.601   1.327  -0.369
 9916TIP3    H136057  -3.504   1.321  -0.369
 9916TIP3    H236058  -3.619   1.347  -0.462
 9917TIP3   OH236059  -4.184   0.807  -0.463
 9917TIP3    H136060  -4.141   0.783  -0.379
 9917TIP3    H236061  -4.219   0.720  -0.488
 9918TIP3   OH236062  -4.281   1.086   0.249
 9918TIP3    H136063  -4.274   0.992   0.274
 9918TIP3    H236064  -4.242   1.128   0.326
 9919TIP3   OH236065  -2.507   1.190   0.549
 9919TIP3    H136066  -2.491   1.202   0.643
 9919TIP3    H236067  -2.428   1.232   0.511
 9920TIP3   OH236068  -2.542   1.135   0.840
 9920TIP3    H136069  -2.574   1.055   0.797
 9920TIP3    H236070  -2.474   1.096   0.899
 9921TIP3   OH236071  -2.751   0.722   1.247
 9921TIP3    H136072  -2.815   0.689   1.314
 9921TIP3    H236073  -2.681   0.758   1.304
 9922TIP3   OH236074  -2.539   0.601   0.537
 9922TIP3    H136075  -2.468   0.575   0.478
 9922TIP3    H236076  -2.549   0.695   0.512
 9923TIP3   OH236077  -2.726   0.852   0.811
 9923TIP3    H136078  -2.770   0.938   0.810
 9923TIP3    H236079  -2.736   0.825   0.718
 9924TIP3   OH236080  -2.677   0.070  -0.465
 9924TIP3    H136081  -2.658   0.120  -0.545
 9924TIP3    H236082  -2.687  -0.020  -0.500
 9925TIP3   OH236083  -2.749   0.198   0.091
 9925TIP3    H136084  -2.734   0.103   0.091
 9925TIP3    H236085  -2.760   0.217   0.185
 9926TIP3   OH236086  -4.256   0.437   0.519
 9926TIP3    H136087  -4.226   0.458   0.430
 9926TIP3    H236088  -4.176   0.394   0.556
 9927TIP3   OH236089  -2.673   0.370   1.057
 9927TIP3    H136090  -2.612   0.294   1.058
 9927TIP3    H236091  -2.615   0.441   1.027
 9928TIP3   OH236092  -2.513   0.153   1.163
 9928TIP3    H136093  -2.573   0.098   1.111
 9928TIP3    H236094  -2.424   0.118   1.143
 9929TIP3   OH236095  -2.724  -0.200  -0.536
 9929TIP3    H136096  -2.690  -0.271  -0.481
 9929TIP3    H236097  -2.803  -0.241  -0.575
 9930TIP3   OH236098  -2.757  -0.071  -0.073
 9930TIP3    H136099  -2.738  -0.165  -0.088
 9930TIP3    H236100  -2.683  -0.025  -0.115
 9931TIP3   OH236101  -2.680   0.067   0.746
 9931TIP3    H136102  -2.772   0.086   0.771
 9931TIP3    H236103  -2.645   0.153   0.720
 9932TIP3   OH236104  -4.282  -0.067   1.148
 9932TIP3    H136105  -4.201  -0.105   1.112
 9932TIP3    H236106  -4.345  -0.141   1.144
 9933TIP3   OH236107  -4.194  -0.215   0.444
 9933TIP3    H136108  -4.159  -0.305   0.439
 9933TIP3    H236109  -4.113  -0.162   0.457
 9934TIP3   OH236110  -4.335   0.049   0.526
 9934TIP3    H136111  -4.295  -0.009   0.460
 9934TIP3    H236112  -4.309   0.136   0.494
 9935TIP3   OH236113  -2.539  -0.312   1.121
 9935TIP3    H136114  -2.628  -0.277   1.117
 9935TIP3    H236115  -2.527  -0.350   1.033
 9936TIP3   OH236116  -4.314  -0.343  -0.124
 9936TIP3    H136117  -4.399  -0.311  -0.159
 9936TIP3    H236118  -4.255  -0.271  -0.154
 9937TIP3   OH236119  -2.827   1.210   0.128
 9937TIP3    H136120  -2.779   1.178   0.050
 9937TIP3    H236121  -2.753   1.243   0.182
 9938TIP3   OH236122  -4.292  -0.442   0.716
 9938TIP3    H136123  -4.363  -0.451   0.785
 9938TIP3    H236124  -4.336  -0.399   0.641
 9939TIP3   OH236125  -4.120   0.910   1.183
 9939TIP3    H136126  -4.165   0.845   1.128
 9939TIP3    H236127  -4.136   0.874   1.273
 9940TIP3   OH236128  -3.802   0.977   0.777
 9940TIP3    H136129  -3.833   1.059   0.735
 9940TIP3    H236130  -3.707   0.983   0.756
 9941TIP3   OH236131  -3.351   1.103   1.073
 9941TIP3    H136132  -3.339   1.089   1.168
 9941TIP3    H236133  -3.269   1.150   1.049
 9942TIP3   OH236134  -3.123   1.249   0.997
 9942TIP3    H136135  -3.055   1.185   0.973
 9942TIP3    H236136  -3.091   1.280   1.084
 9943TIP3   OH236137  -4.068   1.282   0.798
 9943TIP3    H136138  -4.137   1.329   0.748
 9943TIP3    H236139  -4.103   1.286   0.887
 9944TIP3   OH236140  -3.816   1.248   0.664
 9944TIP3    H136141  -3.904   1.264   0.703
 9944TIP3    H236142  -3.816   1.312   0.590
 9945TIP3   OH236143  -3.340   1.245   0.616
 9945TIP3    H136144  -3.381   1.289   0.539
 9945TIP3    H236145  -3.333   1.320   0.679
 9946TIP3   OH236146  -3.108   1.116   0.711
 9946TIP3    H136147  -3.192   1.151   0.676
 9946TIP3    H236148  -3.051   1.195   0.706
 9947TIP3   OH236149  -2.857   1.291   0.728
 9947TIP3    H136150  -2.859   1.385   0.704
 9947TIP3    H236151  -2.826   1.251   0.645
 9948TIP3   OH236152  -4.123   1.156   0.496
 9948TIP3    H136153  -4.132   1.108   0.581
 9948TIP3    H236154  -4.050   1.106   0.454
 9949TIP3   OH236155  -3.912   1.031   0.352
 9949TIP3    H136156  -3.927   0.936   0.369
 9949TIP3    H236157  -3.819   1.041   0.378
 9950TIP3   OH236158  -3.625   1.072   0.431
 9950TIP3    H136159  -3.612   0.979   0.405
 9950TIP3    H236160  -3.625   1.064   0.527
 9951TIP3   OH236161  -3.324  -0.364   0.354
 9951TIP3    H136162  -3.381  -0.437   0.383
 9951TIP3    H236163  -3.250  -0.412   0.313
 9952TIP3   OH236164  -4.108  -0.484   0.116
 9952TIP3    H136165  -4.179  -0.516   0.058
 9952TIP3    H236166  -4.042  -0.555   0.106
 9953TIP3   OH236167  -4.183  -0.522  -0.306
 9953TIP3    H136168  -4.129  -0.456  -0.353
 9953TIP3    H236169  -4.232  -0.466  -0.243
 9954TIP3   OH236170  -3.624  -0.449   0.091
 9954TIP3    H136171  -3.527  -0.452   0.083
 9954TIP3    H236172  -3.635  -0.504   0.171
 9955TIP3   OH236173  -3.051  -0.494   0.260
 9955TIP3    H136174  -3.035  -0.514   0.168
 9955TIP3    H236175  -3.052  -0.585   0.296
 9956TIP3   OH236176  -2.908  -0.465  -0.152
 9956TIP3    H136177  -2.995  -0.424  -0.164
 9956TIP3    H236178  -2.932  -0.553  -0.118
 9957TIP3   OH236179  -4.184   1.085  -0.210
 9957TIP3    H136180  -4.254   1.063  -0.272
 9957TIP3    H236181  -4.188   1.181  -0.205
 9958TIP3   OH236182  -4.006  -0.336  -0.448
 9958TIP3    H136183  -3.947  -0.391  -0.501
 9958TIP3    H236184  -3.944  -0.304  -0.379
 9959TIP3   OH236185  -3.496  -0.321  -0.195
 9959TIP3    H136186  -3.470  -0.383  -0.125
 9959TIP3    H236187  -3.479  -0.237  -0.149
 9960TIP3   OH236188  -3.285   1.264  -0.370
 9960TIP3    H136189  -3.189   1.250  -0.376
 9960TIP3    H236190  -3.316   1.193  -0.428
 9961TIP3   OH236191  -2.645   1.158  -0.116
 9961TIP3    H136192  -2.666   1.071  -0.155
 9961TIP3    H236193  -2.634   1.213  -0.195
 9962TIP3   OH236194  -4.080  -0.443   1.071
 9962TIP3    H136195  -4.123  -0.521   1.109
 9962TIP3    H236196  -3.987  -0.459   1.094
 9963TIP3   OH236197  -3.839  -0.504   1.252
 9963TIP3    H136198  -3.759  -0.536   1.206
 9963TIP3    H236199  -3.877  -0.587   1.286
 9964TIP3   OH236200  -4.007   1.183  -0.498
 9964TIP3    H136201  -4.044   1.191  -0.408
 9964TIP3    H236202  -3.941   1.113  -0.486
 9965TIP3   OH236203  -3.013  -0.562   1.268
 9965TIP3    H136204  -3.008  -0.629   1.339
 9965TIP3    H236205  -2.925  -0.574   1.225
 9966TIP3   OH236206  -2.707   1.032   1.125
 9966TIP3    H136207  -2.778   1.044   1.060
 9966TIP3    H236208  -2.699   1.124   1.158
 9967TIP3   OH236209  -1.963   0.965   1.033
 9967TIP3    H136210  -1.948   0.906   0.958
 9967TIP3    H236211  -2.033   0.918   1.082
 9968TIP3   OH236212  -2.397   0.567   0.793
 9968TIP3    H136213  -2.440   0.563   0.706
 9968TIP3    H236214  -2.356   0.480   0.801
 9969TIP3   OH236215  -2.413   0.869   0.491
 9969TIP3    H136216  -2.322   0.846   0.471
 9969TIP3    H236217  -2.402   0.941   0.555
 9970TIP3   OH236218  -2.245   0.961   0.731
 9970TIP3    H136219  -2.203   0.875   0.739
 9970TIP3    H236220  -2.207   1.010   0.805
 9971TIP3   OH236221  -2.317   1.175   1.148
 9971TIP3    H136222  -2.252   1.146   1.215
 9971TIP3    H236223  -2.341   1.087   1.112
 9972TIP3   OH236224  -1.885   1.100   1.311
 9972TIP3    H136225  -1.814   1.056   1.360
 9972TIP3    H236226  -1.892   1.048   1.230
 9973TIP3   OH236227  -2.330   0.522   1.250
 9973TIP3    H136228  -2.274   0.451   1.213
 9973TIP3    H236229  -2.374   0.553   1.171
 9974TIP3   OH236230  -2.436   1.273   0.068
 9974TIP3    H136231  -2.494   1.232   0.002
 9974TIP3    H236232  -2.412   1.196   0.123
 9975TIP3   OH236233  -2.383   1.065   0.241
 9975TIP3    H136234  -2.404   0.973   0.262
 9975TIP3    H236235  -2.340   1.095   0.322
 9976TIP3   OH236236  -2.201   0.900   1.174
 9976TIP3    H136237  -2.283   0.875   1.128
 9976TIP3    H236238  -2.195   0.835   1.246
 9977TIP3   OH236239  -2.166   1.259   0.780
 9977TIP3    H136240  -2.216   1.333   0.743
 9977TIP3    H236241  -2.177   1.273   0.874
 9978TIP3   OH236242  -2.196   1.132   0.486
 9978TIP3    H136243  -2.201   1.104   0.580
 9978TIP3    H236244  -2.116   1.086   0.457
 9979TIP3   OH236245   1.218  -0.073   0.814
 9979TIP3    H136246   1.133  -0.028   0.804
 9979TIP3    H236247   1.219  -0.100   0.905
 9980TIP3   OH236248   1.053   0.388   1.071
 9980TIP3    H136249   1.115   0.318   1.084
 9980TIP3    H236250   1.102   0.467   1.093
 9981TIP3   OH236251   1.283   0.107   1.082
 9981TIP3    H136252   1.190   0.122   1.103
 9981TIP3    H236253   1.312   0.055   1.157
 9982TIP3   OH236254  -0.225   1.197  -0.545
 9982TIP3    H136255  -0.273   1.210  -0.464
 9982TIP3    H236256  -0.165   1.125  -0.525
 9983TIP3   OH236257   2.810   0.810   0.535
 9983TIP3    H136258   2.717   0.832   0.526
 9983TIP3    H236259   2.849   0.887   0.490
 9984TIP3   OH236260   2.935   0.643   0.865
 9984TIP3    H136261   2.944   0.591   0.784
 9984TIP3    H236262   2.950   0.734   0.831
 9985TIP3   OH236263   1.972   0.314   0.530
 9985TIP3    H136264   1.946   0.317   0.437
 9985TIP3    H236265   1.914   0.377   0.572
 9986TIP3   OH236266   3.214   0.932   1.054
 9986TIP3    H136267   3.205   0.838   1.031
 9986TIP3    H236268   3.122   0.954   1.079
 9987TIP3   OH236269   1.631   0.106   0.785
 9987TIP3    H136270   1.633   0.131   0.876
 9987TIP3    H236271   1.596   0.016   0.782
 9988TIP3   OH236272   2.027  -0.161  -0.484
 9988TIP3    H136273   1.999  -0.248  -0.460
 9988TIP3    H236274   1.972  -0.140  -0.561
 9989TIP3   OH236275   1.616  -0.064   0.104
 9989TIP3    H136276   1.532  -0.034   0.068
 9989TIP3    H236277   1.641  -0.133   0.044
 9990TIP3   OH236278   2.910   1.311   1.181
 9990TIP3    H136279   2.927   1.360   1.099
 9990TIP3    H236280   2.978   1.347   1.240
 9991TIP3   OH236281   3.163   0.630   1.044
 9991TIP3    H136282   3.071   0.651   1.020
 9991TIP3    H236283   3.201   0.613   0.955
 9992TIP3   OH236284   2.946   0.881  -0.225
 9992TIP3    H136285   2.928   0.798  -0.179
 9992TIP3    H236286   2.997   0.853  -0.301
 9993TIP3   OH236287   2.756   1.044   0.901
 9993TIP3    H136288   2.673   1.021   0.856
 9993TIP3    H236289   2.773   1.133   0.865
 9994TIP3   OH236290   3.153   1.129  -0.378
 9994TIP3    H136291   3.216   1.190  -0.418
 9994TIP3    H236292   3.069   1.174  -0.392
 9995TIP3   OH236293   2.872   1.085   0.509
 9995TIP3    H136294   2.848   1.160   0.451
 9995TIP3    H236295   2.966   1.106   0.524
 9996TIP3   OH236296   2.602   0.896   1.206
 9996TIP3    H136297   2.564   0.811   1.227
 9996TIP3    H236298   2.661   0.912   1.282
 9997TIP3   OH236299   2.618   0.554   0.900
 9997TIP3    H136300   2.708   0.588   0.892
 9997TIP3    H236301   2.569   0.627   0.939
 9998TIP3   OH236302   2.710   0.363   1.108
 9998TIP3    H136303   2.661   0.410   1.038
 9998TIP3    H236304   2.799   0.358   1.069
 9999TIP3   OH236305   3.144   1.198   0.552
 9999TIP3    H136306   3.158   1.197   0.647
 9999TIP3    H236307   3.230   1.226   0.519
 1000TIP3   OH236308   3.129   1.142   0.839
 1000TIP3    H136309   3.078   1.067   0.803
 1000TIP3    H236310   3.186   1.095   0.902
 1000TIP3   OH236311   2.930   0.684   1.271
 1000TIP3    H136312   2.842   0.696   1.309
 1000TIP3    H236313   2.976   0.766   1.298
 1000TIP3   OH236314   3.108   0.612   0.554
 1000TIP3    H136315   3.171   0.579   0.489
 1000TIP3    H236316   3.091   0.701   0.521
 1000TIP3   OH236317   2.957   0.904   0.766
 1000TIP3    H136318   2.884   0.950   0.813
 1000TIP3    H236319   2.914   0.880   0.682
 1000TIP3   OH236320   2.977   0.380   1.044
 1000TIP3    H136321   3.058   0.328   1.031
 1000TIP3    H236322   3.007   0.467   1.012
 1000TIP3   OH236323   3.175   0.211   1.134
 1000TIP3    H136324   3.086   0.179   1.148
 1000TIP3    H236325   3.228   0.128   1.138
 1000TIP3   OH236326   3.188  -0.516   1.293
 1000TIP3    H136327   3.206  -0.594   1.237
 1000TIP3    H236328   3.186  -0.447   1.225
 1000TIP3   OH236329   1.322   0.090   0.474
 1000TIP3    H136330   1.343   0.013   0.419
 1000TIP3    H236331   1.393   0.088   0.538
 1000TIP3   OH236332   3.136  -0.327   1.078
 1000TIP3    H136333   3.044  -0.322   1.106
 1000TIP3    H236334   3.131  -0.405   1.019
 1000TIP3   OH236335   2.812   1.172   0.119
 1000TIP3    H136336   2.872   1.142   0.050
 1000TIP3    H236337   2.867   1.224   0.177
 1001TIP3   OH236338   2.496   1.224   0.995
 1001TIP3    H136339   2.562   1.156   0.976
 1001TIP3    H236340   2.521   1.252   1.084
 1001TIP3   OH236341   1.564   1.273   0.786
 1001TIP3    H136342   1.481   1.315   0.759
 1001TIP3    H236343   1.555   1.278   0.883
 1001TIP3   OH236344   1.856   1.239   0.690
 1001TIP3    H136345   1.763   1.223   0.716
 1001TIP3    H236346   1.848   1.267   0.598
 1001TIP3   OH236347   2.328   1.242   0.601
 1001TIP3    H136348   2.291   1.297   0.531
 1001TIP3    H236349   2.319   1.301   0.678
 1001TIP3   OH236350   2.546   1.089   0.705
 1001TIP3    H136351   2.462   1.120   0.666
 1001TIP3    H236352   2.600   1.168   0.689
 1001TIP3   OH236353   2.801   1.286   0.731
 1001TIP3    H136354   2.787   1.379   0.706
 1001TIP3    H236355   2.826   1.249   0.644
 1001TIP3   OH236356   3.011   1.161  -0.105
 1001TIP3    H136357   2.994   1.073  -0.145
 1001TIP3    H236358   3.013   1.217  -0.184
 1001TIP3   OH236359   2.955   1.034   1.130
 1001TIP3    H136360   2.880   1.015   1.072
 1001TIP3    H236361   2.941   1.129   1.148
 1001TIP3   OH236362   4.212   0.315   0.456
 1001TIP3    H136363   4.291   0.341   0.508
 1001TIP3    H236364   4.248   0.311   0.367
 1001TIP3   OH236365   3.495   0.327   0.613
 1001TIP3    H136366   3.492   0.244   0.662
 1001TIP3    H236367   3.578   0.366   0.640
 1002TIP3   OH236368   3.579   0.763   0.467
 1002TIP3    H136369   3.554   0.675   0.433
 1002TIP3    H236370   3.673   0.748   0.485
 1002TIP3   OH236371   4.120   0.600   0.520
 1002TIP3    H136372   4.145   0.527   0.461
 1002TIP3    H236373   4.205   0.621   0.560
 1002TIP3   OH236374   3.740  -0.175   0.273
 1002TIP3    H136375   3.761  -0.090   0.230
 1002TIP3    H236376   3.708  -0.226   0.196
 1002TIP3   OH236377   3.385   0.126   0.324
 1002TIP3    H136378   3.408   0.071   0.399
 1002TIP3    H236379   3.379   0.064   0.251
 1002TIP3   OH236380   3.944   0.241   0.268
 1002TIP3    H136381   4.023   0.195   0.303
 1002TIP3    H236382   3.903   0.168   0.218
 1002TIP3   OH236383   3.625  -0.280   0.681
 1002TIP3    H136384   3.582  -0.235   0.605
 1002TIP3    H236385   3.559  -0.266   0.750
 1002TIP3   OH236386   3.917   0.495   0.699
 1002TIP3    H136387   3.844   0.556   0.722
 1002TIP3    H236388   3.981   0.555   0.657
 1002TIP3   OH236389   3.560  -0.094   0.481
 1002TIP3    H136390   3.623  -0.029   0.515
 1002TIP3    H236391   3.609  -0.128   0.403
 1002TIP3   OH236392   3.717   0.689   0.769
 1002TIP3    H136393   3.712   0.780   0.735
 1002TIP3    H236394   3.629   0.681   0.810
 1002TIP3   OH236395   4.036  -0.539   0.398
 1002TIP3    H136396   4.012  -0.634   0.397
 1002TIP3    H236397   3.953  -0.500   0.432
 1003TIP3   OH236398   4.265   0.340  -0.143
 1003TIP3    H136399   4.200   0.412  -0.159
 1003TIP3    H236400   4.341   0.373  -0.192
 1003TIP3   OH236401   4.290   0.192  -0.425
 1003TIP3    H136402   4.367   0.195  -0.366
 1003TIP3    H236403   4.303   0.112  -0.476
 1003TIP3   OH236404   3.782   0.449   0.154
 1003TIP3    H136405   3.744   0.409   0.075
 1003TIP3    H236406   3.840   0.379   0.189
 1003TIP3   OH236407   3.896   0.769   0.432
 1003TIP3    H136408   3.888   0.734   0.342
 1003TIP3    H236409   3.977   0.725   0.464
 1003TIP3   OH236410   3.803   0.317   0.506
 1003TIP3    H136411   3.864   0.312   0.430
 1003TIP3    H236412   3.850   0.379   0.566
 1003TIP3   OH236413   3.904   0.751   0.987
 1003TIP3    H136414   3.849   0.816   1.034
 1003TIP3    H236415   3.842   0.721   0.918
 1003TIP3   OH236416   3.601   0.384   0.899
 1003TIP3    H136417   3.596   0.438   0.979
 1003TIP3    H236418   3.507   0.374   0.876
 1003TIP3   OH236419   4.240   0.957   0.082
 1003TIP3    H136420   4.299   1.006   0.141
 1003TIP3    H236421   4.198   1.028   0.032
 1003TIP3   OH236422   3.711   0.968   1.070
 1003TIP3    H136423   3.702   0.970   0.973
 1003TIP3    H236424   3.623   0.937   1.100
 1003TIP3   OH236425   3.261   0.579   0.788
 1003TIP3    H136426   3.211   0.583   0.704
 1003TIP3    H236427   3.279   0.482   0.794
 1004TIP3   OH236428   3.257   0.865   0.473
 1004TIP3    H136429   3.349   0.835   0.475
 1004TIP3    H236430   3.254   0.926   0.548
 1004TIP3   OH236431   4.175   0.849   0.942
 1004TIP3    H136432   4.178   0.940   0.974
 1004TIP3    H236433   4.082   0.822   0.958
 1004TIP3   OH236434   4.172   1.241  -0.075
 1004TIP3    H136435   4.206   1.232  -0.165
 1004TIP3    H236436   4.214   1.321  -0.041
 1004TIP3   OH236437   3.562   1.143   0.092
 1004TIP3    H136438   3.581   1.094   0.175
 1004TIP3    H236439   3.487   1.090   0.059
 1004TIP3   OH236440   3.471   0.735   0.911
 1004TIP3    H136441   3.504   0.683   0.987
 1004TIP3    H236442   3.403   0.677   0.872
 1004TIP3   OH236443   3.774  -0.438   0.474
 1004TIP3    H136444   3.684  -0.445   0.436
 1004TIP3    H236445   3.764  -0.356   0.524
 1004TIP3   OH236446   4.231  -0.486   0.910
 1004TIP3    H136447   4.246  -0.560   0.970
 1004TIP3    H236448   4.141  -0.506   0.877
 1004TIP3   OH236449   4.233  -0.208  -0.417
 1004TIP3    H136450   4.168  -0.226  -0.347
 1004TIP3    H236451   4.204  -0.271  -0.484
 1004TIP3   OH236452   3.769   0.051   0.620
 1004TIP3    H136453   3.704   0.061   0.692
 1004TIP3    H236454   3.774   0.141   0.583
 1004TIP3   OH236455   3.784   0.044   0.101
 1004TIP3    H136456   3.689   0.034   0.086
 1004TIP3    H236457   3.819   0.021   0.012
 1005TIP3   OH236458   4.280   0.097   0.025
 1005TIP3    H136459   4.264   0.192   0.012
 1005TIP3    H236460   4.319   0.073  -0.059
 1005TIP3   OH236461   4.252   0.146   1.147
 1005TIP3    H136462   4.194   0.068   1.158
 1005TIP3    H236463   4.338   0.100   1.148
 1005TIP3   OH236464   3.518   0.075   0.800
 1005TIP3    H136465   3.547   0.105   0.887
 1005TIP3    H236466   3.486  -0.015   0.818
 1005TIP3   OH236467   3.860  -0.162  -0.532
 1005TIP3    H136468   3.817  -0.206  -0.456
 1005TIP3    H236469   3.786  -0.151  -0.594
 1005TIP3   OH236470   3.368  -0.112  -0.237
 1005TIP3    H136471   3.395  -0.091  -0.327
 1005TIP3    H236472   3.274  -0.096  -0.240
 1005TIP3   OH236473   4.352   0.197   0.752
 1005TIP3    H136474   4.379   0.135   0.681
 1005TIP3    H236475   4.271   0.153   0.783
 1005TIP3   OH236476   4.046  -0.201   0.216
 1005TIP3    H136477   3.953  -0.191   0.242
 1005TIP3    H236478   4.090  -0.174   0.298
 1005TIP3   OH236479   3.489  -0.047   0.073
 1005TIP3    H136480   3.415  -0.034   0.012
 1005TIP3    H236481   3.524  -0.133   0.042
 1005TIP3   OH236482   3.871  -0.020  -0.156
 1005TIP3    H136483   3.968  -0.015  -0.150
 1005TIP3    H236484   3.849   0.037  -0.231
 1005TIP3   OH236485   3.715   0.105  -0.374
 1005TIP3    H136486   3.657   0.077  -0.447
 1005TIP3    H236487   3.797   0.121  -0.423
 1006TIP3   OH236488   3.582   0.580   1.125
 1006TIP3    H136489   3.651   0.586   1.194
 1006TIP3    H236490   3.502   0.576   1.181
 1006TIP3   OH236491   4.138   0.036   0.354
 1006TIP3    H136492   4.219   0.009   0.309
 1006TIP3    H236493   4.164   0.031   0.447
 1006TIP3   OH236494   3.666  -0.288   0.028
 1006TIP3    H136495   3.612  -0.369   0.029
 1006TIP3    H236496   3.741  -0.314  -0.027
 1006TIP3   OH236497   4.047  -0.089   0.626
 1006TIP3    H136498   3.977  -0.024   0.610
 1006TIP3    H236499   4.098  -0.046   0.698
 1006TIP3   OH236500   4.072   0.544  -0.188
 1006TIP3    H136501   3.989   0.501  -0.219
 1006TIP3    H236502   4.054   0.561  -0.093
 1006TIP3   OH236503   4.203   0.547   0.939
 1006TIP3    H136504   4.185   0.538   1.032
 1006TIP3    H236505   4.214   0.643   0.926
 1006TIP3   OH236506   3.565   0.499   0.366
 1006TIP3    H136507   3.645   0.481   0.314
 1006TIP3    H236508   3.552   0.417   0.416
 1006TIP3   OH236509   4.295   0.687  -0.300
 1006TIP3    H136510   4.298   0.765  -0.243
 1006TIP3    H236511   4.228   0.634  -0.255
 1006TIP3   OH236512   3.289   0.324   0.890
 1006TIP3    H136513   3.307   0.286   0.978
 1006TIP3    H236514   3.241   0.252   0.846
 1006TIP3   OH236515   4.001   0.278   1.120
 1006TIP3    H136516   3.966   0.249   1.034
 1006TIP3    H236517   4.095   0.253   1.110
 1007TIP3   OH236518   3.811   0.831   0.123
 1007TIP3    H136519   3.856   0.915   0.106
 1007TIP3    H236520   3.722   0.849   0.091
 1007TIP3   OH236521   4.013   0.609   0.077
 1007TIP3    H136522   3.986   0.701   0.093
 1007TIP3    H236523   3.943   0.560   0.122
 1007TIP3   OH236524   4.019   1.029   0.722
 1007TIP3    H136525   4.077   1.099   0.686
 1007TIP3    H236526   4.085   0.974   0.767
 1007TIP3   OH236527   3.858   1.118   0.041
 1007TIP3    H136528   3.762   1.134   0.048
 1007TIP3    H236529   3.895   1.206   0.063
 1007TIP3   OH236530   3.426  -0.203   0.881
 1007TIP3    H136531   3.335  -0.187   0.851
 1007TIP3    H236532   3.419  -0.289   0.926
 1007TIP3   OH236533   3.411   0.969   0.721
 1007TIP3    H136534   3.441   0.878   0.734
 1007TIP3    H236535   3.437   1.008   0.806
 1007TIP3   OH236536   3.990   0.836  -0.581
 1007TIP3    H136537   4.029   0.759  -0.625
 1007TIP3    H236538   3.957   0.796  -0.498
 1007TIP3   OH236539   3.883   0.781  -0.308
 1007TIP3    H136540   3.933   0.730  -0.243
 1007TIP3    H236541   3.895   0.873  -0.277
 1007TIP3   OH236542   4.337  -0.177   0.789
 1007TIP3    H136543   4.377  -0.256   0.827
 1007TIP3    H236544   4.278  -0.215   0.722
 1007TIP3   OH236545   4.168   0.955  -0.243
 1007TIP3    H136546   4.085   1.003  -0.232
 1007TIP3    H236547   4.210   1.001  -0.316
 1008TIP3   OH236548   4.120  -0.105  -0.045
 1008TIP3    H136549   4.184  -0.036  -0.018
 1008TIP3    H236550   4.086  -0.127   0.045
 1008TIP3   OH236551   4.160   0.004   0.879
 1008TIP3    H136552   4.188   0.061   0.952
 1008TIP3    H236553   4.234  -0.059   0.870
 1008TIP3   OH236554   4.192  -0.385   0.072
 1008TIP3    H136555   4.165  -0.308   0.127
 1008TIP3    H236556   4.273  -0.352   0.030
 1008TIP3   OH236557   3.893   1.055  -0.245
 1008TIP3    H136558   3.890   1.138  -0.297
 1008TIP3    H236559   3.882   1.087  -0.154
 1008TIP3   OH236560   3.767  -0.279  -0.294
 1008TIP3    H136561   3.770  -0.198  -0.241
 1008TIP3    H236562   3.850  -0.324  -0.269
 1008TIP3   OH236563   3.600   0.819  -0.398
 1008TIP3    H136564   3.672   0.851  -0.343
 1008TIP3    H236565   3.636   0.734  -0.426
 1008TIP3   OH236566   3.491  -0.490   0.420
 1008TIP3    H136567   3.465  -0.468   0.330
 1008TIP3    H236568   3.450  -0.576   0.433
 1008TIP3   OH236569   3.417   0.883   0.033
 1008TIP3    H136570   3.322   0.895   0.033
 1008TIP3    H236571   3.441   0.910  -0.057
 1008TIP3   OH236572   3.346   1.173   1.142
 1008TIP3    H136573   3.403   1.145   1.216
 1008TIP3    H236574   3.307   1.089   1.113
 1008TIP3   OH236575   3.814   1.077   1.324
 1008TIP3    H136576   3.883   1.011   1.340
 1008TIP3    H236577   3.789   1.055   1.232
 1009TIP3   OH236578   4.230   1.005  -0.547
 1009TIP3    H136579   4.149   0.949  -0.545
 1009TIP3    H236580   4.296   0.934  -0.558
 1009TIP3   OH236581   3.335   0.535   1.255
 1009TIP3    H136582   3.351   0.448   1.214
 1009TIP3    H236583   3.263   0.568   1.199
 1009TIP3   OH236584   3.748   0.565  -0.564
 1009TIP3    H136585   3.765   0.517  -0.481
 1009TIP3    H236586   3.839   0.572  -0.598
 1009TIP3   OH236587   4.005   0.557   1.188
 1009TIP3    H136588   3.980   0.589   1.100
 1009TIP3    H236589   4.014   0.460   1.173
 1009TIP3   OH236590   4.262   0.715  -0.581
 1009TIP3    H136591   4.280   0.721  -0.484
 1009TIP3    H236592   4.250   0.619  -0.590
 1009TIP3   OH236593   3.453   0.268   1.157
 1009TIP3    H136594   3.519   0.198   1.160
 1009TIP3    H236595   3.431   0.277   1.251
 1009TIP3   OH236596   3.855   0.388  -0.301
 1009TIP3    H136597   3.798   0.328  -0.252
 1009TIP3    H236598   3.892   0.327  -0.368
 1009TIP3   OH236599   3.798   0.166   0.916
 1009TIP3    H136600   3.741   0.243   0.929
 1009TIP3    H236601   3.853   0.196   0.842
 1009TIP3   OH236602   3.977   0.191  -0.477
 1009TIP3    H136603   3.968   0.193  -0.573
 1009TIP3    H236604   4.073   0.201  -0.467
 1009TIP3   OH236605   4.285   0.412   1.289
 1009TIP3    H136606   4.349   0.381   1.224
 1009TIP3    H236607   4.267   0.329   1.336
 1010TIP3   OH236608   3.855  -0.105   1.031
 1010TIP3    H136609   3.862  -0.172   0.960
 1010TIP3    H236610   3.841  -0.025   0.979
 1010TIP3   OH236611   3.886  -0.262   0.774
 1010TIP3    H136612   3.937  -0.205   0.712
 1010TIP3    H236613   3.796  -0.259   0.736
 1010TIP3   OH236614   4.067   0.278   0.806
 1010TIP3    H136615   4.136   0.278   0.738
 1010TIP3    H236616   4.029   0.366   0.792
 1010TIP3   OH236617   3.681   0.073   1.212
 1010TIP3    H136618   3.625  -0.006   1.207
 1010TIP3    H236619   3.759   0.045   1.161
 1010TIP3   OH236620   3.969  -0.525   0.811
 1010TIP3    H136621   3.947  -0.431   0.792
 1010TIP3    H236622   3.902  -0.571   0.756
 1010TIP3   OH236623   4.102  -0.079   1.186
 1010TIP3    H136624   4.062  -0.104   1.270
 1010TIP3    H236625   4.030  -0.100   1.123
 1010TIP3   OH236626   3.542  -0.180   1.191
 1010TIP3    H136627   3.535  -0.253   1.127
 1010TIP3    H236628   3.520  -0.226   1.274
 1010TIP3   OH236629   3.945  -0.578   1.093
 1010TIP3    H136630   4.007  -0.652   1.095
 1010TIP3    H236631   3.940  -0.562   0.996
 1010TIP3   OH236632   4.034  -0.399   1.288
 1010TIP3    H136633   4.010  -0.453   1.211
 1010TIP3    H236634   3.972  -0.324   1.281
 1010TIP3   OH236635   3.954   1.312  -0.373
 1010TIP3    H136636   4.050   1.314  -0.363
 1010TIP3    H236637   3.945   1.358  -0.458
 1011TIP3   OH236638   3.316   0.756  -0.500
 1011TIP3    H136639   3.379   0.789  -0.433
 1011TIP3    H236640   3.306   0.665  -0.472
 1011TIP3   OH236641   3.229   1.278   0.050
 1011TIP3    H136642   3.157   1.237  -0.001
 1011TIP3    H236643   3.248   1.207   0.114
 1011TIP3   OH236644   3.273   1.075   0.248
 1011TIP3    H136645   3.247   0.984   0.270
 1011TIP3    H236646   3.308   1.104   0.333
 1011TIP3   OH236647   3.281  -0.054   1.138
 1011TIP3    H136648   3.375  -0.080   1.135
 1011TIP3    H236649   3.239  -0.138   1.112
 1011TIP3   OH236650   3.456   0.873   1.208
 1011TIP3    H136651   3.387   0.871   1.140
 1011TIP3    H236652   3.404   0.876   1.289
 1011TIP3   OH236653   3.740   0.976   0.774
 1011TIP3    H136654   3.710   1.060   0.735
 1011TIP3    H236655   3.836   0.982   0.755
 1011TIP3   OH236656   4.218   1.138   1.062
 1011TIP3    H136657   4.205   1.099   1.149
 1011TIP3    H236658   4.314   1.158   1.066
 1011TIP3   OH236659   3.478   1.270   0.806
 1011TIP3    H136660   3.418   1.331   0.760
 1011TIP3    H236661   3.441   1.272   0.895
 1011TIP3   OH236662   3.729   1.247   0.664
 1011TIP3    H136663   3.643   1.266   0.706
 1011TIP3    H236664   3.732   1.315   0.594
 1011TIP3   OH236665   4.195   1.224   0.619
 1011TIP3    H136666   4.179   1.269   0.535
 1011TIP3    H236667   4.258   1.282   0.663
 1012TIP3   OH236668   3.436   1.149   0.501
 1012TIP3    H136669   3.434   1.098   0.585
 1012TIP3    H236670   3.510   1.104   0.454
 1012TIP3   OH236671   3.635   1.023   0.348
 1012TIP3    H136672   3.622   0.928   0.367
 1012TIP3    H236673   3.728   1.037   0.375
 1012TIP3   OH236674   3.911   1.073   0.432
 1012TIP3    H136675   3.936   0.982   0.406
 1012TIP3    H236676   3.921   1.067   0.528
 1012TIP3   OH236677   4.264  -0.379   0.373
 1012TIP3    H136678   4.178  -0.424   0.376
 1012TIP3    H236679   4.298  -0.407   0.287
 1012TIP3   OH236680   3.479  -0.515   0.093
 1012TIP3    H136681   3.387  -0.531   0.067
 1012TIP3    H236682   3.504  -0.598   0.134
 1012TIP3   OH236683   3.367  -0.517  -0.281
 1012TIP3    H136684   3.408  -0.453  -0.343
 1012TIP3    H236685   3.294  -0.465  -0.246
 1012TIP3   OH236686   3.931  -0.495   0.108
 1012TIP3    H136687   4.022  -0.461   0.097
 1012TIP3    H236688   3.927  -0.498   0.204
 1012TIP3   OH236689   3.376   1.077  -0.188
 1012TIP3    H136690   3.305   1.058  -0.251
 1012TIP3    H236691   3.369   1.173  -0.181
 1012TIP3   OH236692   3.526  -0.345  -0.440
 1012TIP3    H136693   3.585  -0.383  -0.506
 1012TIP3    H236694   3.590  -0.308  -0.376
 1012TIP3   OH236695   4.062  -0.323  -0.196
 1012TIP3    H136696   4.065  -0.385  -0.122
 1012TIP3    H236697   4.063  -0.237  -0.149
 1013TIP3   OH236698   4.263   1.240  -0.370
 1013TIP3    H136699   4.352   1.276  -0.386
 1013TIP3    H236700   4.250   1.180  -0.445
 1013TIP3   OH236701   3.460  -0.440   1.077
 1013TIP3    H136702   3.418  -0.525   1.102
 1013TIP3    H236703   3.553  -0.462   1.091
 1013TIP3   OH236704   3.702  -0.506   1.249
 1013TIP3    H136705   3.784  -0.540   1.206
 1013TIP3    H236706   3.663  -0.589   1.282
 1013TIP3   OH236707   3.527   1.175  -0.499
 1013TIP3    H136708   3.496   1.189  -0.408
 1013TIP3    H236709   3.601   1.113  -0.484
 1013TIP3   OH236710  -3.164   2.284   0.140
 1013TIP3    H136711  -3.159   2.379   0.161
 1013TIP3    H236712  -3.239   2.284   0.078
 1013TIP3   OH236713  -3.273   2.233   0.450
 1013TIP3    H136714  -3.275   2.181   0.532
 1013TIP3    H236715  -3.305   2.169   0.385
 1013TIP3   OH236716  -4.027   2.193   0.614
 1013TIP3    H136717  -4.033   2.119   0.678
 1013TIP3    H236718  -3.960   2.249   0.657
 1013TIP3   OH236719  -2.909   2.507   0.283
 1013TIP3    H136720  -2.944   2.437   0.340
 1013TIP3    H236721  -2.878   2.571   0.350
 1013TIP3   OH236722  -3.959   2.655   0.467
 1013TIP3    H136723  -3.988   2.566   0.440
 1013TIP3    H236724  -3.865   2.639   0.485
 1013TIP3   OH236725  -4.214   2.025  -0.111
 1013TIP3    H136726  -4.252   2.107  -0.077
 1013TIP3    H236727  -4.292   1.967  -0.114
 1014TIP3   OH236728  -4.207   2.230   0.172
 1014TIP3    H136729  -4.186   2.168   0.244
 1014TIP3    H236730  -4.122   2.272   0.155
 1014TIP3   OH236731  -3.201   3.044   0.339
 1014TIP3    H136732  -3.142   2.973   0.308
 1014TIP3    H236733  -3.229   3.010   0.425
 1014TIP3   OH236734  -3.426   2.485   0.507
 1014TIP3    H136735  -3.392   2.413   0.450
 1014TIP3    H236736  -3.345   2.501   0.560
 1014TIP3   OH236737  -2.551   1.639   0.564
 1014TIP3    H136738  -2.529   1.695   0.641
 1014TIP3    H236739  -2.487   1.672   0.499
 1014TIP3   OH236740  -3.096   1.919   0.556
 1014TIP3    H136741  -3.081   1.824   0.565
 1014TIP3    H236742  -3.106   1.928   0.460
 1014TIP3   OH236743  -3.797   1.720   0.266
 1014TIP3    H136744  -3.786   1.805   0.220
 1014TIP3    H236745  -3.834   1.666   0.193
 1014TIP3   OH236746  -3.032   1.730   0.063
 1014TIP3    H136747  -2.993   1.676   0.134
 1014TIP3    H236748  -2.951   1.776   0.032
 1014TIP3   OH236749  -4.138   1.994   0.319
 1014TIP3    H136750  -4.080   1.952   0.385
 1014TIP3    H236751  -4.120   1.939   0.241
 1014TIP3   OH236752  -3.590   2.130   0.261
 1014TIP3    H136753  -3.522   2.074   0.303
 1014TIP3    H236754  -3.644   2.064   0.215
 1014TIP3   OH236755  -2.487   1.770   0.814
 1014TIP3    H136756  -2.545   1.845   0.791
 1014TIP3    H236757  -2.493   1.772   0.911
 1015TIP3   OH236758  -3.917   1.603   0.683
 1015TIP3    H136759  -3.964   1.644   0.610
 1015TIP3    H236760  -3.981   1.617   0.756
 1015TIP3   OH236761  -3.171   2.574   0.022
 1015TIP3    H136762  -3.201   2.554  -0.067
 1015TIP3    H236763  -3.215   2.659   0.041
 1015TIP3   OH236764  -3.626   2.387   0.694
 1015TIP3    H136765  -3.699   2.447   0.721
 1015TIP3    H236766  -3.564   2.448   0.651
 1015TIP3   OH236767  -2.844   1.669   0.295
 1015TIP3    H136768  -2.872   1.601   0.357
 1015TIP3    H236769  -2.783   1.721   0.350
 1015TIP3   OH236770  -3.958   1.807   0.473
 1015TIP3    H136771  -3.893   1.863   0.521
 1015TIP3    H236772  -3.899   1.768   0.405
 1015TIP3   OH236773  -3.827   2.573   0.769
 1015TIP3    H136774  -3.830   2.665   0.735
 1015TIP3    H236775  -3.916   2.567   0.809
 1015TIP3   OH236776  -4.182   2.537  -0.142
 1015TIP3    H136777  -4.264   2.555  -0.193
 1015TIP3    H236778  -4.191   2.599  -0.067
 1015TIP3   OH236779  -2.851   2.689   0.532
 1015TIP3    H136780  -2.948   2.701   0.534
 1015TIP3    H236781  -2.822   2.774   0.496
 1015TIP3   OH236782  -2.815   1.579   0.683
 1015TIP3    H136783  -2.892   1.617   0.639
 1015TIP3    H236784  -2.744   1.595   0.618
 1015TIP3   OH236785  -3.504   1.347   0.392
 1015TIP3    H136786  -3.528   1.253   0.387
 1015TIP3    H236787  -3.587   1.386   0.428
 1016TIP3   OH236788  -3.019   2.882   0.191
 1016TIP3    H136789  -2.971   2.804   0.158
 1016TIP3    H236790  -2.953   2.953   0.178
 1016TIP3   OH236791  -2.875   2.669   0.051
 1016TIP3    H136792  -2.927   2.624  -0.017
 1016TIP3    H236793  -2.881   2.606   0.125
 1016TIP3   OH236794  -2.724   2.553   0.900
 1016TIP3    H136795  -2.731   2.487   0.829
 1016TIP3    H236796  -2.707   2.635   0.851
 1016TIP3   OH236797  -3.283   2.241  -0.134
 1016TIP3    H136798  -3.353   2.303  -0.164
 1016TIP3    H236799  -3.219   2.248  -0.206
 1016TIP3   OH236800  -3.264   2.063  -0.419
 1016TIP3    H136801  -3.188   2.086  -0.363
 1016TIP3    H236802  -3.222   2.005  -0.484
 1016TIP3   OH236803  -2.547   2.168   0.694
 1016TIP3    H136804  -2.616   2.235   0.703
 1016TIP3    H236805  -2.495   2.202   0.619
 1016TIP3   OH236806  -2.944   2.238  -0.022
 1016TIP3    H136807  -3.010   2.265   0.046
 1016TIP3    H236808  -2.882   2.185   0.032
 1016TIP3   OH236809  -2.961   2.096   0.862
 1016TIP3    H136810  -2.954   2.178   0.913
 1016TIP3    H236811  -3.025   2.125   0.795
 1016TIP3   OH236812  -3.782   2.321   0.154
 1016TIP3    H136813  -3.816   2.278   0.074
 1016TIP3    H236814  -3.718   2.254   0.187
 1016TIP3   OH236815  -3.648   2.659   0.430
 1016TIP3    H136816  -3.659   2.623   0.341
 1016TIP3    H236817  -3.568   2.613   0.461
 1017TIP3   OH236818  -3.726   2.203   0.502
 1017TIP3    H136819  -3.667   2.207   0.425
 1017TIP3    H236820  -3.688   2.268   0.563
 1017TIP3   OH236821  -3.131   2.752   0.562
 1017TIP3    H136822  -3.129   2.819   0.633
 1017TIP3    H236823  -3.153   2.670   0.610
 1017TIP3   OH236824  -3.642   2.633   0.988
 1017TIP3    H136825  -3.695   2.699   1.036
 1017TIP3    H236826  -3.706   2.605   0.919
 1017TIP3   OH236827  -3.036   2.137  -0.261
 1017TIP3    H136828  -2.988   2.178  -0.186
 1017TIP3    H236829  -2.991   2.184  -0.336
 1017TIP3   OH236830  -3.956   2.267   0.903
 1017TIP3    H136831  -3.948   2.327   0.979
 1017TIP3    H236832  -4.053   2.263   0.893
 1017TIP3   OH236833  -3.303   2.846   0.080
 1017TIP3    H136834  -3.257   2.877   0.159
 1017TIP3    H236835  -3.352   2.925   0.052
 1017TIP3   OH236836  -3.835   2.848   1.072
 1017TIP3    H136837  -3.842   2.853   0.975
 1017TIP3    H236838  -3.927   2.830   1.099
 1017TIP3   OH236839  -2.689   1.344  -0.344
 1017TIP3    H136840  -2.772   1.348  -0.296
 1017TIP3    H236841  -2.651   1.433  -0.331
 1017TIP3   OH236842  -3.892   2.193  -0.093
 1017TIP3    H136843  -3.917   2.270  -0.146
 1017TIP3    H236844  -3.961   2.129  -0.117
 1017TIP3   OH236845  -2.564   2.773  -0.474
 1017TIP3    H136846  -2.551   2.867  -0.450
 1017TIP3    H236847  -2.477   2.735  -0.453
 1018TIP3   OH236848  -4.266   2.476   0.761
 1018TIP3    H136849  -4.288   2.443   0.673
 1018TIP3    H236850  -4.307   2.407   0.817
 1018TIP3   OH236851  -4.282   2.754   0.459
 1018TIP3    H136852  -4.196   2.714   0.478
 1018TIP3    H236853  -4.300   2.805   0.539
 1018TIP3   OH236854  -2.441   2.813   1.053
 1018TIP3    H136855  -2.451   2.717   1.035
 1018TIP3    H236856  -2.533   2.836   1.079
 1018TIP3   OH236857  -3.378   2.737   0.932
 1018TIP3    H136858  -3.371   2.820   0.983
 1018TIP3    H236859  -3.469   2.707   0.954
 1018TIP3   OH236860  -3.347   3.119  -0.071
 1018TIP3    H136861  -3.349   3.129  -0.168
 1018TIP3    H236862  -3.344   3.211  -0.040
 1018TIP3   OH236863  -3.976   3.031   0.092
 1018TIP3    H136864  -3.954   2.990   0.178
 1018TIP3    H236865  -4.055   2.980   0.069
 1018TIP3   OH236866  -3.019   3.061  -0.353
 1018TIP3    H136867  -2.961   2.995  -0.397
 1018TIP3    H236868  -3.025   3.024  -0.263
 1018TIP3   OH236869  -3.080   3.003  -0.073
 1018TIP3    H136870  -3.175   3.018  -0.059
 1018TIP3    H236871  -3.064   2.933  -0.008
 1018TIP3   OH236872  -2.765   1.951   1.093
 1018TIP3    H136873  -2.814   1.990   1.019
 1018TIP3    H236874  -2.759   1.857   1.065
 1018TIP3   OH236875  -4.071   2.616   0.909
 1018TIP3    H136876  -4.042   2.559   0.982
 1018TIP3    H236877  -4.147   2.567   0.870
 1019TIP3   OH236878  -3.748   1.465   0.481
 1019TIP3    H136879  -3.830   1.454   0.431
 1019TIP3    H236880  -3.774   1.535   0.543
 1019TIP3   OH236881  -3.311   1.421   0.847
 1019TIP3    H136882  -3.258   1.368   0.910
 1019TIP3    H236883  -3.401   1.387   0.860
 1019TIP3   OH236884  -2.996   1.800   0.896
 1019TIP3    H136885  -3.054   1.784   0.973
 1019TIP3    H236886  -3.001   1.896   0.885
 1019TIP3   OH236887  -2.905   2.278  -0.466
 1019TIP3    H136888  -2.921   2.270  -0.562
 1019TIP3    H236889  -2.816   2.317  -0.466
 1019TIP3   OH236890  -3.289   1.662  -0.403
 1019TIP3    H136891  -3.366   1.656  -0.343
 1019TIP3    H236892  -3.327   1.614  -0.479
 1019TIP3   OH236893  -3.760   1.942   0.623
 1019TIP3    H136894  -3.820   1.952   0.699
 1019TIP3    H236895  -3.756   2.034   0.587
 1019TIP3   OH236896  -3.770   1.949   0.110
 1019TIP3    H136897  -3.866   1.943   0.095
 1019TIP3    H236898  -3.737   1.930   0.020
 1019TIP3   OH236899  -3.172   1.992  -0.063
 1019TIP3    H136900  -3.230   2.071  -0.050
 1019TIP3    H236901  -3.105   2.038  -0.116
 1019TIP3   OH236902  -3.288   2.027   1.126
 1019TIP3    H136903  -3.338   1.950   1.160
 1019TIP3    H236904  -3.200   2.012   1.165
 1019TIP3   OH236905  -3.120   1.936   0.261
 1019TIP3    H136906  -3.140   2.001   0.192
 1019TIP3    H236907  -3.101   1.857   0.208
 1020TIP3   OH236908  -4.024   1.958   0.806
 1020TIP3    H136909  -3.998   1.995   0.892
 1020TIP3    H236910  -4.052   1.869   0.830
 1020TIP3   OH236911  -3.684   1.720  -0.530
 1020TIP3    H136912  -3.726   1.678  -0.453
 1020TIP3    H236913  -3.759   1.735  -0.589
 1020TIP3   OH236914  -4.317   1.722   0.174
 1020TIP3    H136915  -4.307   1.690   0.265
 1020TIP3    H236916  -4.284   1.647   0.123
 1020TIP3   OH236917  -4.208   1.758  -0.247
 1020TIP3    H136918  -4.148   1.787  -0.319
 1020TIP3    H236919  -4.291   1.796  -0.276
 1020TIP3   OH236920  -3.212   2.113   0.711
 1020TIP3    H136921  -3.167   2.041   0.662
 1020TIP3    H236922  -3.244   2.066   0.789
 1020TIP3   OH236923  -3.490   1.712   0.209
 1020TIP3    H136924  -3.584   1.703   0.232
 1020TIP3    H236925  -3.448   1.687   0.293
 1020TIP3   OH236926  -4.038   1.836   0.076
 1020TIP3    H136927  -4.115   1.849   0.019
 1020TIP3    H236928  -4.004   1.751   0.043
 1020TIP3   OH236929  -3.665   1.861  -0.153
 1020TIP3    H136930  -3.572   1.886  -0.151
 1020TIP3    H236931  -3.703   1.920  -0.222
 1020TIP3   OH236932  -3.054   1.622   0.516
 1020TIP3    H136933  -3.117   1.622   0.592
 1020TIP3    H236934  -3.112   1.588   0.446
 1020TIP3   OH236935  -3.821   1.988  -0.370
 1020TIP3    H136936  -3.885   1.960  -0.437
 1020TIP3    H236937  -3.743   2.007  -0.425
 1021TIP3   OH236938  -2.753   3.203   1.182
 1021TIP3    H136939  -2.729   3.245   1.097
 1021TIP3    H236940  -2.681   3.232   1.240
 1021TIP3   OH236941  -3.951   2.462   1.125
 1021TIP3    H136942  -3.890   2.466   1.201
 1021TIP3    H236943  -4.037   2.471   1.172
 1021TIP3   OH236944  -3.386   1.962   0.394
 1021TIP3    H136945  -3.313   1.914   0.353
 1021TIP3    H236946  -3.406   1.904   0.471
 1021TIP3   OH236947  -3.873   1.599   0.023
 1021TIP3    H136948  -3.923   1.516   0.027
 1021TIP3    H236949  -3.795   1.571  -0.027
 1021TIP3   OH236950  -3.489   1.812   0.617
 1021TIP3    H136951  -3.569   1.866   0.623
 1021TIP3    H236952  -3.442   1.834   0.701
 1021TIP3   OH236953  -3.471   2.440  -0.187
 1021TIP3    H136954  -3.550   2.394  -0.224
 1021TIP3    H236955  -3.496   2.449  -0.092
 1021TIP3   OH236956  -2.756   2.364   0.685
 1021TIP3    H136957  -2.704   2.417   0.620
 1021TIP3    H236958  -2.840   2.353   0.638
 1021TIP3   OH236959  -3.313   2.449   0.943
 1021TIP3    H136960  -3.344   2.416   1.028
 1021TIP3    H236961  -3.344   2.541   0.943
 1021TIP3   OH236962  -3.977   2.378   0.381
 1021TIP3    H136963  -3.909   2.371   0.312
 1021TIP3    H236964  -3.962   2.297   0.433
 1021TIP3   OH236965  -3.238   2.583  -0.296
 1021TIP3    H136966  -3.264   2.670  -0.259
 1021TIP3    H236967  -3.314   2.528  -0.268
 1022TIP3   OH236968  -4.238   2.231   0.947
 1022TIP3    H136969  -4.231   2.167   1.019
 1022TIP3    H236970  -4.287   2.181   0.878
 1022TIP3   OH236971  -3.540   2.166   1.118
 1022TIP3    H136972  -3.577   2.138   1.032
 1022TIP3    H236973  -3.447   2.136   1.108
 1022TIP3   OH236974  -3.088   2.707   0.889
 1022TIP3    H136975  -3.184   2.715   0.884
 1022TIP3    H236976  -3.070   2.732   0.981
 1022TIP3   OH236977  -2.532   1.914  -0.230
 1022TIP3    H136978  -2.589   1.892  -0.306
 1022TIP3    H236979  -2.522   2.010  -0.245
 1022TIP3   OH236980  -2.489   2.518   1.048
 1022TIP3    H136981  -2.582   2.538   1.027
 1022TIP3    H236982  -2.453   2.499   0.959
 1022TIP3   OH236983  -2.719   2.771  -0.227
 1022TIP3    H136984  -2.736   2.696  -0.168
 1022TIP3    H236985  -2.657   2.735  -0.292
 1022TIP3   OH236986  -2.988   2.306   0.513
 1022TIP3    H136987  -3.082   2.289   0.491
 1022TIP3    H236988  -2.944   2.234   0.465
 1022TIP3   OH236989  -3.727   2.715   0.120
 1022TIP3    H136990  -3.686   2.803   0.107
 1022TIP3    H236991  -3.819   2.733   0.097
 1022TIP3   OH236992  -4.153   2.211  -0.410
 1022TIP3    H136993  -4.082   2.267  -0.373
 1022TIP3    H236994  -4.229   2.268  -0.396
 1022TIP3   OH236995  -3.544   2.483   0.079
 1022TIP3    H136996  -3.572   2.575   0.095
 1022TIP3    H236997  -3.615   2.434   0.121
 1023TIP3   OH236998  -3.526   2.910   0.717
 1023TIP3    H136999  -3.471   2.984   0.687
 1023TIP3    H237000  -3.464   2.861   0.772
 1023TIP3   OH237001  -3.681   3.004   0.041
 1023TIP3    H137002  -3.777   3.019   0.048
 1023TIP3    H237003  -3.647   3.093   0.064
 1023TIP3   OH237004  -3.186   2.484   0.673
 1023TIP3    H137005  -3.214   2.457   0.762
 1023TIP3    H237006  -3.111   2.424   0.656
 1023TIP3   OH237007  -2.968   2.613  -0.436
 1023TIP3    H137008  -2.927   2.572  -0.358
 1023TIP3    H237009  -3.061   2.601  -0.412
 1023TIP3   OH237010  -2.893   2.943   0.914
 1023TIP3    H137011  -2.967   2.897   0.871
 1023TIP3    H237012  -2.881   3.021   0.857
 1023TIP3   OH237013  -2.496   3.041  -0.382
 1023TIP3    H137014  -2.425   3.105  -0.403
 1023TIP3    H237015  -2.572   3.101  -0.381
 1023TIP3   OH237016  -4.101   1.687   0.885
 1023TIP3    H137017  -4.188   1.725   0.861
 1023TIP3    H237018  -4.122   1.602   0.925
 1023TIP3   OH237019  -2.872   2.477  -0.196
 1023TIP3    H137020  -2.899   2.403  -0.140
 1023TIP3    H237021  -2.775   2.475  -0.186
 1023TIP3   OH237022  -4.128   2.857   0.725
 1023TIP3    H137023  -4.109   2.763   0.736
 1023TIP3    H237024  -4.096   2.891   0.810
 1023TIP3   OH237025  -3.544   2.720  -0.577
 1023TIP3    H137026  -3.516   2.641  -0.627
 1023TIP3    H237027  -3.587   2.680  -0.500
 1024TIP3   OH237028  -3.658   2.670  -0.306
 1024TIP3    H137029  -3.612   2.620  -0.237
 1024TIP3    H237030  -3.646   2.763  -0.275
 1024TIP3   OH237031  -3.985   2.413  -0.271
 1024TIP3    H137032  -4.056   2.454  -0.215
 1024TIP3    H237033  -3.938   2.494  -0.296
 1024TIP3   OH237034  -3.210   1.662   0.735
 1024TIP3    H137035  -3.148   1.690   0.804
 1024TIP3    H237036  -3.259   1.589   0.778
 1024TIP3   OH237037  -3.365   2.834  -0.243
 1024TIP3    H137038  -3.447   2.883  -0.225
 1024TIP3    H237039  -3.330   2.882  -0.319
 1024TIP3   OH237040  -3.377   1.802  -0.043
 1024TIP3    H137041  -3.322   1.879  -0.020
 1024TIP3    H237042  -3.426   1.787   0.041
 1024TIP3   OH237043  -3.368   1.897   0.872
 1024TIP3    H137044  -3.364   1.949   0.953
 1024TIP3    H237045  -3.314   1.820   0.895
 1024TIP3   OH237046  -3.318   1.519   0.042
 1024TIP3    H137047  -3.355   1.570   0.116
 1024TIP3    H237048  -3.247   1.577   0.014
 1024TIP3   OH237049  -3.644   2.941  -0.244
 1024TIP3    H137050  -3.652   3.021  -0.299
 1024TIP3    H237051  -3.659   2.976  -0.154
 1024TIP3   OH237052  -3.777   1.609  -0.291
 1024TIP3    H137053  -3.764   1.688  -0.237
 1024TIP3    H237054  -3.697   1.556  -0.273
 1024TIP3   OH237055  -2.742   1.699   0.962
 1024TIP3    H137056  -2.838   1.710   0.943
 1024TIP3    H237057  -2.712   1.678   0.872
 1025TIP3   OH237058  -2.887   2.080   0.357
 1025TIP3    H137059  -2.969   2.032   0.335
 1025TIP3    H237060  -2.837   2.011   0.407
 1025TIP3   OH237061  -3.930   2.697  -0.388
 1025TIP3    H137062  -3.854   2.743  -0.349
 1025TIP3    H237063  -3.884   2.643  -0.454
 1025TIP3   OH237064  -4.113   1.913  -0.471
 1025TIP3    H137065  -4.113   2.009  -0.452
 1025TIP3    H237066  -4.188   1.900  -0.530
 1025TIP3   OH237067  -2.788   2.968   0.502
 1025TIP3    H137068  -2.805   3.050   0.451
 1025TIP3    H237069  -2.695   2.982   0.526
 1025TIP3   OH237070  -4.027   1.411   0.397
 1025TIP3    H137071  -4.056   1.406   0.305
 1025TIP3    H237072  -4.067   1.330   0.435
 1025TIP3   OH237073  -4.135   2.778   0.027
 1025TIP3    H137074  -4.227   2.808   0.034
 1025TIP3    H237075  -4.107   2.817  -0.056
 1025TIP3   OH237076  -4.214   3.053   1.148
 1025TIP3    H137077  -4.151   3.052   1.222
 1025TIP3    H237078  -4.216   2.957   1.133
 1025TIP3   OH237079  -3.719   2.966   1.323
 1025TIP3    H137080  -3.656   2.894   1.339
 1025TIP3    H237081  -3.750   2.943   1.234
 1025TIP3   OH237082  -3.322   2.890  -0.527
 1025TIP3    H137083  -3.399   2.830  -0.537
 1025TIP3    H237084  -3.253   2.835  -0.565
 1025TIP3   OH237085  -3.085   2.797   1.184
 1025TIP3    H137086  -3.121   2.712   1.216
 1025TIP3    H237087  -3.011   2.812   1.245
 1026TIP3   OH237088  -2.860   2.881  -0.517
 1026TIP3    H137089  -2.843   2.801  -0.464
 1026TIP3    H237090  -2.780   2.885  -0.572
 1026TIP3   OH237091  -4.199   2.456   1.209
 1026TIP3    H137092  -4.190   2.366   1.173
 1026TIP3    H237093  -4.287   2.482   1.178
 1026TIP3   OH237094  -3.781   2.464  -0.543
 1026TIP3    H137095  -3.763   2.405  -0.468
 1026TIP3    H237096  -3.696   2.461  -0.590
 1026TIP3   OH237097  -3.539   2.442   1.189
 1026TIP3    H137098  -3.569   2.474   1.102
 1026TIP3    H237099  -3.531   2.345   1.174
 1026TIP3   OH237100  -3.255   2.597  -0.582
 1026TIP3    H137101  -3.261   2.593  -0.485
 1026TIP3    H237102  -3.261   2.502  -0.604
 1026TIP3   OH237103  -3.001   2.403   0.928
 1026TIP3    H137104  -2.923   2.456   0.908
 1026TIP3    H237105  -3.071   2.470   0.926
 1026TIP3   OH237106  -4.134   2.129   1.186
 1026TIP3    H137107  -4.056   2.072   1.176
 1026TIP3    H237108  -4.125   2.156   1.279
 1026TIP3   OH237109  -3.672   2.272  -0.309
 1026TIP3    H137110  -3.736   2.223  -0.255
 1026TIP3    H237111  -3.644   2.204  -0.373
 1026TIP3   OH237112  -3.750   2.049   0.917
 1026TIP3    H137113  -3.806   2.127   0.933
 1026TIP3    H237114  -3.685   2.084   0.853
 1026TIP3   OH237115  -3.576   2.073  -0.484
 1026TIP3    H137116  -3.582   2.080  -0.581
 1026TIP3    H237117  -3.479   2.076  -0.471
 1027TIP3   OH237118  -3.218   2.320   1.273
 1027TIP3    H137119  -3.129   2.299   1.239
 1027TIP3    H237120  -3.245   2.234   1.309
 1027TIP3   OH237121  -2.628   2.321  -0.554
 1027TIP3    H137122  -2.648   2.284  -0.641
 1027TIP3    H237123  -2.637   2.417  -0.573
 1027TIP3   OH237124  -3.691   1.778   1.030
 1027TIP3    H137125  -3.684   1.712   0.959
 1027TIP3    H237126  -3.711   1.859   0.979
 1027TIP3   OH237127  -3.657   1.626   0.775
 1027TIP3    H137128  -3.606   1.676   0.709
 1027TIP3    H237129  -3.748   1.627   0.739
 1027TIP3   OH237130  -3.501   2.170   0.815
 1027TIP3    H137131  -3.417   2.161   0.766
 1027TIP3    H237132  -3.532   2.257   0.784
 1027TIP3   OH237133  -3.044   1.963   1.294
 1027TIP3    H137134  -3.021   1.869   1.305
 1027TIP3    H237135  -2.955   2.002   1.286
 1027TIP3   OH237136  -2.948   2.242   1.143
 1027TIP3    H137137  -2.981   2.303   1.073
 1027TIP3    H237138  -2.858   2.226   1.108
 1027TIP3   OH237139  -3.876   1.968   1.207
 1027TIP3    H137140  -3.930   1.886   1.210
 1027TIP3    H237141  -3.796   1.938   1.162
 1027TIP3   OH237142  -3.585   1.358   0.810
 1027TIP3    H137143  -3.604   1.452   0.794
 1027TIP3    H237144  -3.655   1.315   0.756
 1027TIP3   OH237145  -3.459   1.815   1.189
 1027TIP3    H137146  -3.493   1.792   1.277
 1027TIP3    H237147  -3.538   1.795   1.135
 1028TIP3   OH237148  -3.204   1.720   1.075
 1028TIP3    H137149  -3.293   1.723   1.116
 1028TIP3    H237150  -3.158   1.656   1.133
 1028TIP3   OH237151  -3.022   1.568   1.248
 1028TIP3    H137152  -3.036   1.473   1.265
 1028TIP3    H237153  -3.038   1.609   1.335
 1028TIP3   OH237154  -4.014   1.712   1.192
 1028TIP3    H137155  -4.016   1.638   1.128
 1028TIP3    H237156  -4.032   1.665   1.276
 1028TIP3   OH237157  -3.601   1.307   1.091
 1028TIP3    H137158  -3.542   1.230   1.096
 1028TIP3    H237159  -3.605   1.321   0.994
 1028TIP3   OH237160  -3.506   1.493   1.277
 1028TIP3    H137161  -3.536   1.434   1.204
 1028TIP3    H237162  -3.575   1.560   1.279
 1028TIP3   OH237163  -3.599   3.197  -0.374
 1028TIP3    H137164  -3.504   3.209  -0.364
 1028TIP3    H237165  -3.614   3.241  -0.458
 1028TIP3   OH237166  -4.198   2.687  -0.467
 1028TIP3    H137167  -4.123   2.680  -0.406
 1028TIP3    H237168  -4.219   2.595  -0.487
 1028TIP3   OH237169  -4.273   2.965   0.246
 1028TIP3    H137170  -4.277   2.876   0.285
 1028TIP3    H237171  -4.244   3.016   0.323
 1028TIP3   OH237172  -2.516   3.086   0.552
 1028TIP3    H137173  -2.498   3.082   0.647
 1028TIP3    H237174  -2.430   3.113   0.517
 1028TIP3   OH237175  -2.528   3.030   0.841
 1028TIP3    H137176  -2.576   2.954   0.803
 1028TIP3    H237177  -2.467   2.983   0.900
 1029TIP3   OH237178  -2.726   2.575   1.267
 1029TIP3    H137179  -2.813   2.580   1.310
 1029TIP3    H237180  -2.680   2.653   1.300
 1029TIP3   OH237181  -2.586   2.461  -0.158
 1029TIP3    H137182  -2.495   2.495  -0.142
 1029TIP3    H237183  -2.593   2.399  -0.083
 1029TIP3   OH237184  -2.540   2.259   0.045
 1029TIP3    H137185  -2.602   2.193   0.082
 1029TIP3    H237186  -2.470   2.264   0.113
 1029TIP3   OH237187  -2.566   2.506   0.537
 1029TIP3    H137188  -2.501   2.458   0.483
 1029TIP3    H237189  -2.553   2.598   0.508
 1029TIP3   OH237190  -2.696   2.801   0.761
 1029TIP3    H137191  -2.770   2.839   0.812
 1029TIP3    H237192  -2.741   2.763   0.683
 1029TIP3   OH237193  -2.514   2.203  -0.302
 1029TIP3    H137194  -2.565   2.231  -0.380
 1029TIP3    H237195  -2.525   2.279  -0.243
 1029TIP3   OH237196  -2.686   1.954  -0.478
 1029TIP3    H137197  -2.661   2.014  -0.549
 1029TIP3    H237198  -2.705   1.871  -0.527
 1029TIP3   OH237199  -2.754   2.055   0.111
 1029TIP3    H137200  -2.759   1.959   0.110
 1029TIP3    H237201  -2.781   2.075   0.203
 1029TIP3   OH237202  -4.256   2.321   0.518
 1029TIP3    H137203  -4.223   2.344   0.430
 1029TIP3    H237204  -4.176   2.280   0.558
 1029TIP3   OH237205  -2.685   2.264   1.038
 1029TIP3    H137206  -2.612   2.201   1.051
 1029TIP3    H237207  -2.639   2.346   1.016
 1030TIP3   OH237208  -2.530   2.071   1.161
 1030TIP3    H137209  -2.608   2.018   1.135
 1030TIP3    H237210  -2.458   2.005   1.152
 1030TIP3   OH237211  -2.735   1.692  -0.560
 1030TIP3    H137212  -2.674   1.636  -0.511
 1030TIP3    H237213  -2.816   1.639  -0.567
 1030TIP3   OH237214  -2.817   1.824  -0.085
 1030TIP3    H137215  -2.766   1.741  -0.076
 1030TIP3    H237216  -2.747   1.884  -0.116
 1030TIP3   OH237217  -2.735   1.883   0.482
 1030TIP3    H137218  -2.638   1.892   0.478
 1030TIP3    H237219  -2.748   1.883   0.578
 1030TIP3   OH237220  -2.720   1.951   0.765
 1030TIP3    H137221  -2.805   1.991   0.791
 1030TIP3    H237222  -2.666   2.030   0.743
 1030TIP3   OH237223  -4.285   1.816   1.125
 1030TIP3    H137224  -4.196   1.777   1.127
 1030TIP3    H237225  -4.343   1.742   1.145
 1030TIP3   OH237226  -2.468   1.366   1.293
 1030TIP3    H137227  -2.419   1.297   1.243
 1030TIP3    H237228  -2.461   1.443   1.234
 1030TIP3   OH237229  -2.717   1.559  -0.062
 1030TIP3    H137230  -2.693   1.523   0.025
 1030TIP3    H237231  -2.791   1.501  -0.088
 1030TIP3   OH237232  -4.195   1.670   0.446
 1030TIP3    H137233  -4.160   1.580   0.440
 1030TIP3    H237234  -4.115   1.723   0.459
 1030TIP3   OH237235  -4.332   1.933   0.527
 1030TIP3    H137236  -4.295   1.880   0.455
 1030TIP3    H237237  -4.313   2.023   0.497
 1031TIP3   OH237238  -2.527   1.574   1.119
 1031TIP3    H137239  -2.615   1.615   1.120
 1031TIP3    H237240  -2.535   1.517   1.040
 1031TIP3   OH237241  -2.504   1.581  -0.416
 1031TIP3    H137242  -2.459   1.502  -0.448
 1031TIP3    H237243  -2.428   1.633  -0.382
 1031TIP3   OH237244  -4.316   1.546  -0.120
 1031TIP3    H137245  -4.400   1.573  -0.160
 1031TIP3    H237246  -4.256   1.615  -0.157
 1031TIP3   OH237247  -2.828   3.090   0.132
 1031TIP3    H137248  -2.780   3.065   0.051
 1031TIP3    H237249  -2.757   3.126   0.186
 1031TIP3   OH237250  -4.291   1.443   0.715
 1031TIP3    H137251  -4.360   1.433   0.785
 1031TIP3    H237252  -4.337   1.488   0.643
 1031TIP3   OH237253  -4.117   2.795   1.182
 1031TIP3    H137254  -4.168   2.732   1.130
 1031TIP3    H237255  -4.134   2.760   1.273
 1031TIP3   OH237256  -3.802   2.861   0.775
 1031TIP3    H137257  -3.834   2.944   0.735
 1031TIP3    H237258  -3.706   2.869   0.755
 1031TIP3   OH237259  -3.353   2.990   1.074
 1031TIP3    H137260  -3.335   2.972   1.167
 1031TIP3    H237261  -3.270   3.034   1.046
 1031TIP3   OH237262  -3.124   3.134   1.000
 1031TIP3    H137263  -3.053   3.072   0.975
 1031TIP3    H237264  -3.091   3.166   1.087
 1031TIP3   OH237265  -2.638   1.393   0.915
 1031TIP3    H137266  -2.718   1.415   0.864
 1031TIP3    H237267  -2.618   1.303   0.882
 1032TIP3   OH237268  -4.069   3.165   0.798
 1032TIP3    H137269  -4.137   3.214   0.748
 1032TIP3    H237270  -4.103   3.173   0.888
 1032TIP3   OH237271  -3.818   3.132   0.662
 1032TIP3    H137272  -3.905   3.151   0.702
 1032TIP3    H237273  -3.814   3.198   0.590
 1032TIP3   OH237274  -3.342   3.131   0.616
 1032TIP3    H137275  -3.379   3.175   0.538
 1032TIP3    H237276  -3.333   3.207   0.677
 1032TIP3   OH237277  -3.109   3.003   0.710
 1032TIP3    H137278  -3.193   3.039   0.675
 1032TIP3    H237279  -3.051   3.080   0.705
 1032TIP3   OH237280  -2.856   3.175   0.726
 1032TIP3    H137281  -2.859   3.271   0.705
 1032TIP3    H237282  -2.826   3.139   0.641
 1032TIP3   OH237283  -4.125   3.041   0.496
 1032TIP3    H137284  -4.134   2.994   0.581
 1032TIP3    H237285  -4.050   2.993   0.456
 1032TIP3   OH237286  -3.910   2.914   0.346
 1032TIP3    H137287  -3.927   2.821   0.373
 1032TIP3    H237288  -3.819   2.928   0.379
 1032TIP3   OH237289  -3.629   2.956   0.432
 1032TIP3    H137290  -3.612   2.863   0.409
 1032TIP3    H237291  -3.624   2.952   0.528
 1032TIP3   OH237292  -3.297   1.544   0.351
 1032TIP3    H137293  -3.364   1.477   0.374
 1032TIP3    H237294  -3.232   1.491   0.302
 1032TIP3   OH237295  -2.801   1.350   0.410
 1032TIP3    H137296  -2.724   1.391   0.366
 1032TIP3    H237297  -2.874   1.374   0.352
 1033TIP3   OH237298  -2.602   1.463   0.192
 1033TIP3    H137299  -2.530   1.409   0.153
 1033TIP3    H237300  -2.558   1.550   0.201
 1033TIP3   OH237301  -4.102   1.400   0.113
 1033TIP3    H137302  -4.178   1.372   0.061
 1033TIP3    H237303  -4.046   1.319   0.106
 1033TIP3   OH237304  -4.185   1.366  -0.305
 1033TIP3    H137305  -4.132   1.432  -0.354
 1033TIP3    H237306  -4.234   1.423  -0.243
 1033TIP3   OH237307  -3.610   1.411   0.102
 1033TIP3    H137308  -3.514   1.416   0.093
 1033TIP3    H237309  -3.620   1.392   0.196
 1033TIP3   OH237310  -3.059   1.403   0.244
 1033TIP3    H137311  -3.028   1.381   0.155
 1033TIP3    H237312  -3.094   1.317   0.274
 1033TIP3   OH237313  -2.961   1.414  -0.155
 1033TIP3    H137314  -3.042   1.427  -0.206
 1033TIP3    H237315  -2.971   1.320  -0.132
 1033TIP3   OH237316  -4.186   2.965  -0.200
 1033TIP3    H137317  -4.251   2.946  -0.268
 1033TIP3    H237318  -4.184   3.062  -0.201
 1033TIP3   OH237319  -4.006   1.553  -0.449
 1033TIP3    H137320  -3.951   1.492  -0.501
 1033TIP3    H237321  -3.944   1.580  -0.379
 1033TIP3   OH237322  -3.479   1.572  -0.201
 1033TIP3    H137323  -3.470   1.504  -0.132
 1033TIP3    H237324  -3.493   1.651  -0.148
 1033TIP3   OH237325  -3.295   3.144  -0.366
 1033TIP3    H137326  -3.198   3.145  -0.370
 1033TIP3    H237327  -3.315   3.078  -0.435
 1034TIP3   OH237328  -2.646   3.046  -0.108
 1034TIP3    H137329  -2.668   2.963  -0.152
 1034TIP3    H237330  -2.648   3.109  -0.182
 1034TIP3   OH237331  -4.080   1.444   1.070
 1034TIP3    H137332  -4.125   1.366   1.109
 1034TIP3    H237333  -3.988   1.427   1.097
 1034TIP3   OH237334  -3.842   1.379   1.246
 1034TIP3    H137335  -3.761   1.344   1.205
 1034TIP3    H237336  -3.878   1.299   1.288
 1034TIP3   OH237337  -4.011   3.066  -0.501
 1034TIP3    H137338  -4.042   3.082  -0.410
 1034TIP3    H237339  -3.942   2.999  -0.486
 1034TIP3   OH237340  -3.030   1.286   1.261
 1034TIP3    H137341  -3.026   1.247   1.350
 1034TIP3    H237342  -2.936   1.286   1.235
 1034TIP3   OH237343  -2.697   2.922   1.133
 1034TIP3    H137344  -2.767   2.903   1.069
 1034TIP3    H237345  -2.711   3.017   1.149
 1034TIP3   OH237346  -2.112   2.199   0.605
 1034TIP3    H137347  -2.118   2.117   0.657
 1034TIP3    H237348  -2.060   2.254   0.666
 1034TIP3   OH237349  -2.048   2.655   0.478
 1034TIP3    H137350  -2.076   2.565   0.450
 1034TIP3    H237351  -1.961   2.635   0.513
 1034TIP3   OH237352  -2.375   1.989   0.015
 1034TIP3    H137353  -2.409   2.080   0.015
 1034TIP3    H237354  -2.444   1.942  -0.033
 1034TIP3   OH237355  -2.285   2.225   0.207
 1034TIP3    H137356  -2.264   2.142   0.252
 1034TIP3    H237357  -2.208   2.234   0.148
 1035TIP3   OH237358  -1.895   1.737   0.264
 1035TIP3    H137359  -1.931   1.819   0.230
 1035TIP3    H237360  -1.941   1.671   0.209
 1035TIP3   OH237361  -2.217   1.964   0.341
 1035TIP3    H137362  -2.142   1.919   0.383
 1035TIP3    H237363  -2.207   1.934   0.249
 1035TIP3   OH237364  -2.314   2.546  -0.144
 1035TIP3    H137365  -2.326   2.597  -0.225
 1035TIP3    H237366  -2.293   2.614  -0.077
 1035TIP3   OH237367  -1.131   2.880   0.160
 1035TIP3    H137368  -1.071   2.804   0.160
 1035TIP3    H237369  -1.068   2.955   0.164
 1035TIP3   OH237370  -0.830   2.534   0.885
 1035TIP3    H137371  -0.840   2.477   0.808
 1035TIP3    H237372  -0.833   2.623   0.844
 1035TIP3   OH237373  -1.374   2.101  -0.425
 1035TIP3    H137374  -1.284   2.130  -0.405
 1035TIP3    H237375  -1.357   2.027  -0.486
 1035TIP3   OH237376  -2.059   2.265   0.890
 1035TIP3    H137377  -2.043   2.322   0.968
 1035TIP3    H237378  -2.155   2.253   0.894
 1035TIP3   OH237379  -1.428   2.833   0.073
 1035TIP3    H137380  -1.353   2.859   0.128
 1035TIP3    H237381  -1.466   2.916   0.042
 1035TIP3   OH237382  -1.941   2.852   1.041
 1035TIP3    H137383  -1.932   2.813   0.954
 1035TIP3    H237384  -2.016   2.804   1.078
 1035TIP3   OH237385  -2.042   2.202  -0.060
 1035TIP3    H137386  -2.029   2.265  -0.132
 1035TIP3    H237387  -2.066   2.121  -0.104
 1036TIP3   OH237388  -0.701   2.782  -0.472
 1036TIP3    H137389  -0.675   2.870  -0.438
 1036TIP3    H237390  -0.631   2.728  -0.432
 1036TIP3   OH237391  -2.403   2.465   0.785
 1036TIP3    H137392  -2.443   2.462   0.696
 1036TIP3    H237393  -2.383   2.371   0.802
 1036TIP3   OH237394  -2.397   2.755   0.475
 1036TIP3    H137395  -2.305   2.724   0.483
 1036TIP3    H237396  -2.402   2.815   0.551
 1036TIP3   OH237397  -0.558   2.814   1.053
 1036TIP3    H137398  -0.571   2.719   1.037
 1036TIP3    H237399  -0.648   2.840   1.082
 1036TIP3   OH237400  -1.478   3.129  -0.057
 1036TIP3    H137401  -1.470   3.108  -0.151
 1036TIP3    H237402  -1.451   3.222  -0.051
 1036TIP3   OH237403  -2.085   3.035   0.093
 1036TIP3    H137404  -2.066   2.986   0.175
 1036TIP3    H237405  -2.166   2.991   0.063
 1036TIP3   OH237406  -1.132   3.059  -0.356
 1036TIP3    H137407  -1.083   2.986  -0.398
 1036TIP3    H237408  -1.141   3.026  -0.265
 1036TIP3   OH237409  -1.194   3.011  -0.079
 1036TIP3    H137410  -1.291   3.011  -0.076
 1036TIP3    H237411  -1.174   2.942  -0.012
 1036TIP3   OH237412  -0.840   1.975   1.096
 1036TIP3    H137413  -0.914   2.005   1.042
 1036TIP3    H237414  -0.847   1.879   1.086
 1036TIP3   OH237415  -2.151   2.626   0.888
 1036TIP3    H137416  -2.110   2.575   0.960
 1036TIP3    H237417  -2.218   2.565   0.855
 1037TIP3   OH237418  -1.426   1.681  -0.436
 1037TIP3    H137419  -1.479   1.676  -0.356
 1037TIP3    H237420  -1.449   1.599  -0.482
 1037TIP3   OH237421  -2.142   1.965   0.799
 1037TIP3    H137422  -2.102   1.987   0.883
 1037TIP3    H237423  -2.147   1.868   0.806
 1037TIP3   OH237424  -1.789   1.714  -0.540
 1037TIP3    H137425  -1.821   1.674  -0.456
 1037TIP3    H237426  -1.871   1.737  -0.583
 1037TIP3   OH237427  -2.449   1.696   0.177
 1037TIP3    H137428  -2.380   1.696   0.245
 1037TIP3    H237429  -2.404   1.660   0.098
 1037TIP3   OH237430  -2.305   1.740  -0.278
 1037TIP3    H137431  -2.239   1.796  -0.322
 1037TIP3    H237432  -2.365   1.806  -0.239
 1037TIP3   OH237433  -2.117   1.853   0.080
 1037TIP3    H137434  -2.201   1.880   0.039
 1037TIP3    H237435  -2.097   1.768   0.036
 1037TIP3   OH237436  -1.953   1.949  -0.362
 1037TIP3    H137437  -1.987   1.950  -0.453
 1037TIP3    H237438  -1.861   1.978  -0.375
 1037TIP3   OH237439  -0.866   3.200   1.182
 1037TIP3    H137440  -0.843   3.245   1.099
 1037TIP3    H237441  -0.795   3.231   1.241
 1037TIP3   OH237442  -2.074   2.455   1.124
 1037TIP3    H137443  -2.007   2.470   1.193
 1037TIP3    H237444  -2.155   2.469   1.177
 1037TIP3   OH237445  -1.989   1.597   0.022
 1037TIP3    H137446  -2.035   1.515   0.047
 1037TIP3    H237447  -1.915   1.563  -0.030
 1038TIP3   OH237448  -2.055   2.388   0.390
 1038TIP3    H137449  -2.007   2.360   0.310
 1038TIP3    H237450  -2.071   2.302   0.432
 1038TIP3   OH237451  -2.358   2.216   0.923
 1038TIP3    H137452  -2.333   2.168   1.004
 1038TIP3    H237453  -2.410   2.151   0.874
 1038TIP3   OH237454  -0.613   2.507   1.043
 1038TIP3    H137455  -0.706   2.530   1.021
 1038TIP3    H237456  -0.575   2.508   0.953
 1038TIP3   OH237457  -1.837   2.698   0.130
 1038TIP3    H137458  -1.777   2.772   0.114
 1038TIP3    H237459  -1.922   2.732   0.103
 1038TIP3   OH237460  -2.241   2.197  -0.422
 1038TIP3    H137461  -2.181   2.260  -0.378
 1038TIP3    H237462  -2.327   2.222  -0.383
 1038TIP3   OH237463  -1.795   2.997   0.037
 1038TIP3    H137464  -1.890   3.013   0.045
 1038TIP3    H237465  -1.758   3.084   0.057
 1038TIP3   OH237466  -1.009   2.927   0.902
 1038TIP3    H137467  -1.092   2.895   0.863
 1038TIP3    H237468  -0.998   3.013   0.857
 1038TIP3   OH237469  -0.614   3.045  -0.375
 1038TIP3    H137470  -0.539   3.102  -0.399
 1038TIP3    H237471  -0.686   3.110  -0.382
 1038TIP3   OH237472  -2.207   1.682   0.874
 1038TIP3    H137473  -2.296   1.699   0.841
 1038TIP3    H237474  -2.213   1.589   0.903
 1038TIP3   OH237475  -2.244   2.850   0.726
 1038TIP3    H137476  -2.207   2.762   0.745
 1038TIP3    H237477  -2.217   2.897   0.805
 1039TIP3   OH237478  -1.660   2.713  -0.552
 1039TIP3    H137479  -1.638   2.638  -0.611
 1039TIP3    H237480  -1.694   2.667  -0.475
 1039TIP3   OH237481  -2.092   2.417  -0.272
 1039TIP3    H137482  -2.159   2.447  -0.208
 1039TIP3    H237483  -2.047   2.501  -0.293
 1039TIP3   OH237484  -1.456   2.916  -0.246
 1039TIP3    H137485  -1.545   2.881  -0.233
 1039TIP3    H237486  -1.434   2.889  -0.336
 1039TIP3   OH237487  -1.770   2.912  -0.259
 1039TIP3    H137488  -1.765   2.997  -0.306
 1039TIP3    H237489  -1.773   2.941  -0.167
 1039TIP3   OH237490  -1.869   1.620  -0.287
 1039TIP3    H137491  -1.875   1.706  -0.244
 1039TIP3    H237492  -1.786   1.582  -0.253
 1039TIP3   OH237493  -0.835   1.716   0.962
 1039TIP3    H137494  -0.910   1.671   1.005
 1039TIP3    H237495  -0.817   1.658   0.887
 1039TIP3   OH237496  -2.018   2.693  -0.372
 1039TIP3    H137497  -1.954   2.762  -0.349
 1039TIP3    H237498  -1.974   2.647  -0.445
 1039TIP3   OH237499  -2.232   1.919  -0.502
 1039TIP3    H137500  -2.219   2.006  -0.462
 1039TIP3    H237501  -2.327   1.910  -0.506
 1039TIP3   OH237502  -0.921   2.957   0.506
 1039TIP3    H137503  -0.931   3.037   0.453
 1039TIP3    H237504  -0.827   2.959   0.525
 1039TIP3   OH237505  -2.123   1.435   0.408
 1039TIP3    H137506  -2.119   1.420   0.312
 1039TIP3    H237507  -2.134   1.346   0.443
 1040TIP3   OH237508  -2.255   2.765   0.028
 1040TIP3    H137509  -2.330   2.821   0.051
 1040TIP3    H237510  -2.211   2.817  -0.041
 1040TIP3   OH237511  -2.313   3.059   1.145
 1040TIP3    H137512  -2.252   3.031   1.216
 1040TIP3    H237513  -2.349   2.973   1.115
 1040TIP3   OH237514  -1.855   2.956   1.312
 1040TIP3    H137515  -1.779   2.904   1.341
 1040TIP3    H237516  -1.860   2.933   1.218
 1040TIP3   OH237517  -1.440   2.886  -0.529
 1040TIP3    H137518  -1.517   2.825  -0.537
 1040TIP3    H237519  -1.369   2.832  -0.566
 1040TIP3   OH237520  -1.208   2.791   1.175
 1040TIP3    H137521  -1.227   2.698   1.193
 1040TIP3    H237522  -1.129   2.808   1.230
 1040TIP3   OH237523  -0.984   2.853  -0.513
 1040TIP3    H137524  -0.938   2.788  -0.457
 1040TIP3    H237525  -0.909   2.881  -0.568
 1040TIP3   OH237526  -2.321   2.420   1.260
 1040TIP3    H137527  -2.302   2.334   1.219
 1040TIP3    H237528  -2.391   2.453   1.201
 1040TIP3   OH237529  -1.890   2.472  -0.533
 1040TIP3    H137530  -1.883   2.398  -0.469
 1040TIP3    H237531  -1.809   2.457  -0.586
 1040TIP3   OH237532  -1.369   2.596  -0.555
 1040TIP3    H137533  -1.366   2.589  -0.459
 1040TIP3    H237534  -1.371   2.502  -0.582
 1040TIP3   OH237535  -2.227   2.131   1.169
 1040TIP3    H137536  -2.160   2.061   1.170
 1040TIP3    H237537  -2.230   2.155   1.263
 1041TIP3   OH237538  -1.808   2.251  -0.351
 1041TIP3    H137539  -1.826   2.218  -0.262
 1041TIP3    H237540  -1.759   2.176  -0.389
 1041TIP3   OH237541  -1.824   2.054   0.922
 1041TIP3    H137542  -1.893   2.115   0.949
 1041TIP3    H237543  -1.819   2.070   0.827
 1041TIP3   OH237544  -1.674   2.051  -0.491
 1041TIP3    H137545  -1.688   2.073  -0.585
 1041TIP3    H237546  -1.582   2.078  -0.476
 1041TIP3   OH237547  -0.759   2.289  -0.535
 1041TIP3    H137548  -0.773   2.285  -0.631
 1041TIP3    H237549  -0.728   2.381  -0.525
 1041TIP3   OH237550  -1.036   2.215   1.127
 1041TIP3    H137551  -1.069   2.294   1.085
 1041TIP3    H237552  -0.946   2.209   1.089
 1041TIP3   OH237553  -1.961   1.942   1.194
 1041TIP3    H137554  -2.023   1.867   1.187
 1041TIP3    H237555  -1.891   1.917   1.132
 1041TIP3   OH237556  -2.120   1.706   1.185
 1041TIP3    H137557  -2.125   1.634   1.120
 1041TIP3    H237558  -2.140   1.660   1.268
 1041TIP3   OH237559  -1.636   1.469   1.297
 1041TIP3    H137560  -1.637   1.432   1.208
 1041TIP3    H237561  -1.678   1.556   1.286
 1041TIP3   OH237562  -1.716   3.187  -0.373
 1041TIP3    H137563  -1.622   3.203  -0.356
 1041TIP3    H237564  -1.728   3.239  -0.453
 1041TIP3   OH237565  -2.315   2.641  -0.423
 1041TIP3    H137566  -2.220   2.652  -0.404
 1041TIP3    H237567  -2.315   2.559  -0.478
 1042TIP3   OH237568  -2.424   3.157   0.052
 1042TIP3    H137569  -2.496   3.118  -0.002
 1042TIP3    H237570  -2.413   3.088   0.121
 1042TIP3   OH237571  -2.386   2.958   0.251
 1042TIP3    H137572  -2.414   2.871   0.283
 1042TIP3    H237573  -2.348   2.993   0.333
 1042TIP3   OH237574  -0.635   3.088   0.549
 1042TIP3    H137575  -0.617   3.076   0.643
 1042TIP3    H237576  -0.547   3.110   0.515
 1042TIP3   OH237577  -0.648   3.023   0.839
 1042TIP3    H137578  -0.694   2.947   0.800
 1042TIP3    H237579  -0.589   2.978   0.901
 1042TIP3   OH237580  -0.848   2.567   1.271
 1042TIP3    H137581  -0.929   2.573   1.324
 1042TIP3    H237582  -0.799   2.647   1.299
 1042TIP3   OH237583  -0.830   2.774   0.753
 1042TIP3    H137584  -0.891   2.829   0.807
 1042TIP3    H237585  -0.878   2.769   0.669
 1042TIP3   OH237586  -2.365   2.292   0.496
 1042TIP3    H137587  -2.344   2.292   0.401
 1042TIP3    H237588  -2.277   2.270   0.533
 1042TIP3   OH237589  -0.773   2.256   1.031
 1042TIP3    H137590  -0.721   2.187   1.074
 1042TIP3    H237591  -0.720   2.336   1.041
 1042TIP3   OH237592  -2.379   1.827   1.126
 1042TIP3    H137593  -2.286   1.800   1.130
 1042TIP3    H237594  -2.424   1.741   1.133
 1042TIP3   OH237595  -2.274   1.666   0.421
 1042TIP3    H137596  -2.229   1.578   0.422
 1042TIP3    H237597  -2.210   1.718   0.471
 1043TIP3   OH237598  -2.453   1.934   0.505
 1043TIP3    H137599  -2.384   1.920   0.438
 1043TIP3    H237600  -2.414   2.006   0.556
 1043TIP3   OH237601  -0.623   1.587   1.163
 1043TIP3    H137602  -0.717   1.607   1.180
 1043TIP3    H237603  -0.627   1.506   1.112
 1043TIP3   OH237604  -2.404   1.569  -0.072
 1043TIP3    H137605  -2.495   1.565  -0.102
 1043TIP3    H237606  -2.355   1.600  -0.150
 1043TIP3   OH237607  -0.938   3.092   0.130
 1043TIP3    H137608  -0.893   3.066   0.048
 1043TIP3    H237609  -0.864   3.124   0.184
 1043TIP3   OH237610  -2.397   1.435   0.732
 1043TIP3    H137611  -2.465   1.422   0.799
 1043TIP3    H237612  -2.441   1.496   0.670
 1043TIP3   OH237613  -2.195   2.742   1.189
 1043TIP3    H137614  -2.269   2.759   1.130
 1043TIP3    H237615  -2.231   2.758   1.276
 1043TIP3   OH237616  -1.485   2.981   1.054
 1043TIP3    H137617  -1.466   2.939   1.139
 1043TIP3    H237618  -1.396   3.007   1.023
 1043TIP3   OH237619  -1.240   3.130   0.990
 1043TIP3    H137620  -1.177   3.057   0.977
 1043TIP3    H237621  -1.215   3.160   1.080
 1043TIP3   OH237622  -2.183   3.152   0.805
 1043TIP3    H137623  -2.239   3.218   0.761
 1043TIP3    H237624  -2.215   3.160   0.896
 1043TIP3   OH237625  -1.920   3.096   0.654
 1043TIP3    H137626  -2.001   3.105   0.707
 1043TIP3    H237627  -1.922   3.173   0.597
 1044TIP3   OH237628  -1.443   3.129   0.611
 1044TIP3    H137629  -1.501   3.168   0.544
 1044TIP3    H237630  -1.452   3.191   0.685
 1044TIP3   OH237631  -1.213   2.991   0.699
 1044TIP3    H137632  -1.303   3.018   0.671
 1044TIP3    H237633  -1.168   3.077   0.701
 1044TIP3   OH237634  -0.965   3.172   0.725
 1044TIP3    H137635  -0.974   3.267   0.704
 1044TIP3    H237636  -0.940   3.137   0.638
 1044TIP3   OH237637  -2.221   3.032   0.499
 1044TIP3    H137638  -2.221   2.986   0.586
 1044TIP3    H237639  -2.143   2.989   0.457
 1044TIP3   OH237640  -2.017   2.905   0.347
 1044TIP3    H137641  -2.028   2.812   0.375
 1044TIP3    H237642  -1.927   2.924   0.380
 1044TIP3   OH237643  -1.740   2.946   0.441
 1044TIP3    H137644  -1.712   2.857   0.418
 1044TIP3    H237645  -1.748   2.943   0.537
 1044TIP3   OH237646  -2.161   1.379   0.124
 1044TIP3    H137647  -2.248   1.367   0.082
 1044TIP3    H237648  -2.119   1.293   0.108
 1044TIP3   OH237649  -2.278   2.960  -0.178
 1044TIP3    H137650  -2.341   2.950  -0.250
 1044TIP3    H237651  -2.277   3.056  -0.169
 1044TIP3   OH237652  -2.104   1.551  -0.470
 1044TIP3    H137653  -2.057   1.467  -0.478
 1044TIP3    H237654  -2.078   1.577  -0.380
 1044TIP3   OH237655  -1.609   1.531  -0.191
 1044TIP3    H137656  -1.567   1.518  -0.105
 1044TIP3    H237657  -1.544   1.492  -0.250
 1045TIP3   OH237658  -1.399   3.169  -0.384
 1045TIP3    H137659  -1.304   3.149  -0.376
 1045TIP3    H237660  -1.431   3.086  -0.424
 1045TIP3   OH237661  -0.779   3.031  -0.117
 1045TIP3    H137662  -0.763   2.944  -0.156
 1045TIP3    H237663  -0.757   3.090  -0.191
 1045TIP3   OH237664  -2.194   1.439   1.065
 1045TIP3    H137665  -2.236   1.358   1.100
 1045TIP3    H237666  -2.101   1.424   1.088
 1045TIP3   OH237667  -1.959   1.376   1.241
 1045TIP3    H137668  -1.875   1.338   1.213
 1045TIP3    H237669  -1.998   1.298   1.284
 1045TIP3   OH237670  -2.135   3.051  -0.498
 1045TIP3    H137671  -2.156   3.083  -0.409
 1045TIP3    H237672  -2.052   3.002  -0.484
 1045TIP3   OH237673  -0.810   2.922   1.127
 1045TIP3    H137674  -0.885   2.901   1.070
 1045TIP3    H237675  -0.828   3.016   1.149
 1045TIP3   OH237676   0.621   2.294   0.135
 1045TIP3    H137677   0.611   2.391   0.134
 1045TIP3    H237678   0.539   2.263   0.095
 1045TIP3   OH237679   0.496   2.234   0.446
 1045TIP3    H137680   0.497   2.173   0.521
 1045TIP3    H237681   0.464   2.175   0.376
 1045TIP3   OH237682   0.865   2.510   0.283
 1045TIP3    H137683   0.830   2.434   0.331
 1045TIP3    H237684   0.891   2.568   0.355
 1045TIP3   OH237685  -0.181   2.634   0.462
 1045TIP3    H137686  -0.201   2.557   0.408
 1045TIP3    H237687  -0.087   2.621   0.483
 1046TIP3   OH237688   0.572   3.045   0.340
 1046TIP3    H137689   0.630   2.973   0.308
 1046TIP3    H237690   0.543   3.010   0.426
 1046TIP3   OH237691   0.347   2.486   0.503
 1046TIP3    H137692   0.380   2.409   0.453
 1046TIP3    H237693   0.427   2.503   0.556
 1046TIP3   OH237694   0.587   2.568   0.023
 1046TIP3    H137695   0.577   2.559  -0.073
 1046TIP3    H237696   0.557   2.660   0.038
 1046TIP3   OH237697   0.142   2.361   0.686
 1046TIP3    H137698   0.056   2.405   0.690
 1046TIP3    H237699   0.196   2.422   0.633
 1046TIP3   OH237700  -0.057   2.571   0.770
 1046TIP3    H137701  -0.053   2.661   0.734
 1046TIP3    H237702  -0.143   2.574   0.815
 1046TIP3   OH237703   0.921   2.690   0.533
 1046TIP3    H137704   0.824   2.700   0.535
 1046TIP3    H237705   0.947   2.776   0.496
 1046TIP3   OH237706   0.751   2.883   0.192
 1046TIP3    H137707   0.798   2.803   0.161
 1046TIP3    H237708   0.818   2.952   0.177
 1046TIP3   OH237709   0.890   2.673   0.053
 1046TIP3    H137710   0.855   2.619  -0.019
 1046TIP3    H237711   0.890   2.608   0.126
 1046TIP3   OH237712   1.051   2.552   0.900
 1046TIP3    H137713   1.036   2.486   0.830
 1046TIP3    H237714   1.063   2.634   0.849
 1046TIP3   OH237715   1.231   2.169   0.720
 1046TIP3    H137716   1.140   2.201   0.718
 1046TIP3    H237717   1.257   2.174   0.627
 1047TIP3   OH237718   0.832   2.247  -0.027
 1047TIP3    H137719   0.762   2.263   0.040
 1047TIP3    H237720   0.879   2.173   0.011
 1047TIP3   OH237721   0.844   2.065   0.856
 1047TIP3    H137722   0.836   2.137   0.919
 1047TIP3    H237723   0.774   2.088   0.793
 1047TIP3   OH237724   0.121   2.659   0.424
 1047TIP3    H137725   0.118   2.617   0.337
 1047TIP3    H237726   0.200   2.617   0.463
 1047TIP3   OH237727   0.637   2.753   0.562
 1047TIP3    H137728   0.643   2.817   0.635
 1047TIP3    H237729   0.620   2.669   0.608
 1047TIP3   OH237730   0.131   2.634   0.988
 1047TIP3    H137731   0.078   2.699   1.036
 1047TIP3    H237732   0.069   2.605   0.918
 1047TIP3   OH237733   0.703   2.154  -0.279
 1047TIP3    H137734   0.752   2.164  -0.197
 1047TIP3    H237735   0.758   2.202  -0.343
 1047TIP3   OH237736  -0.211   2.239   0.899
 1047TIP3    H137737  -0.181   2.303   0.965
 1047TIP3    H237738  -0.287   2.282   0.862
 1047TIP3   OH237739   0.471   2.848   0.078
 1047TIP3    H137740   0.515   2.876   0.159
 1047TIP3    H237741   0.418   2.925   0.054
 1047TIP3   OH237742  -0.061   2.853   1.070
 1047TIP3    H137743  -0.071   2.854   0.973
 1047TIP3    H237744  -0.148   2.823   1.101
 1047TIP3   OH237745   1.203   2.774  -0.473
 1047TIP3    H137746   1.220   2.868  -0.449
 1047TIP3    H237747   1.291   2.734  -0.456
 1048TIP3   OH237748  -0.516   2.455   0.771
 1048TIP3    H137749  -0.545   2.474   0.680
 1048TIP3    H237750  -0.521   2.360   0.774
 1048TIP3   OH237751   1.328   2.814   1.050
 1048TIP3    H137752   1.317   2.718   1.034
 1048TIP3    H237753   1.237   2.838   1.080
 1048TIP3   OH237754   0.393   2.739   0.931
 1048TIP3    H137755   0.400   2.821   0.984
 1048TIP3    H237756   0.303   2.708   0.954
 1048TIP3   OH237757   0.419   3.120  -0.070
 1048TIP3    H137758   0.422   3.127  -0.167
 1048TIP3    H237759   0.428   3.212  -0.041
 1048TIP3   OH237760  -0.208   3.029   0.093
 1048TIP3    H137761  -0.187   2.982   0.175
 1048TIP3    H237762  -0.283   2.975   0.061
 1048TIP3   OH237763   0.752   3.061  -0.354
 1048TIP3    H137764   0.809   2.995  -0.398
 1048TIP3    H237765   0.747   3.024  -0.263
 1048TIP3   OH237766   0.691   3.004  -0.072
 1048TIP3    H137767   0.596   3.014  -0.058
 1048TIP3    H237768   0.710   2.931  -0.011
 1048TIP3   OH237769   1.009   1.940   1.079
 1048TIP3    H137770   0.955   1.977   1.006
 1048TIP3    H237771   1.005   1.846   1.060
 1048TIP3   OH237772  -0.298   2.618   0.906
 1048TIP3    H137773  -0.266   2.570   0.986
 1048TIP3    H237774  -0.368   2.561   0.871
 1048TIP3   OH237775   0.862   2.287  -0.468
 1048TIP3    H137776   0.858   2.267  -0.563
 1048TIP3    H237777   0.956   2.310  -0.458
 1049TIP3   OH237778   0.482   2.030   1.127
 1049TIP3    H137779   0.437   1.947   1.152
 1049TIP3    H237780   0.573   2.012   1.158
 1049TIP3   OH237781  -0.226   1.882   0.846
 1049TIP3    H137782  -0.156   1.950   0.854
 1049TIP3    H237783  -0.226   1.864   0.752
 1049TIP3   OH237784   0.583   2.098   0.710
 1049TIP3    H137785   0.608   2.024   0.652
 1049TIP3    H237786   0.540   2.055   0.785
 1049TIP3   OH237787   1.019   3.201   1.183
 1049TIP3    H137788   1.042   3.245   1.099
 1049TIP3    H237789   1.091   3.231   1.242
 1049TIP3   OH237790  -0.190   2.461   1.114
 1049TIP3    H137791  -0.119   2.466   1.181
 1049TIP3    H237792  -0.267   2.457   1.174
 1049TIP3   OH237793   0.352   1.974   0.413
 1049TIP3    H137794   0.409   1.934   0.346
 1049TIP3    H237795   0.341   1.906   0.479
 1049TIP3   OH237796   1.005   2.371   0.684
 1049TIP3    H137797   1.065   2.416   0.620
 1049TIP3    H237798   0.928   2.352   0.628
 1049TIP3   OH237799   0.465   2.457   0.942
 1049TIP3    H137800   0.431   2.414   1.021
 1049TIP3    H237801   0.427   2.545   0.947
 1049TIP3   OH237802   0.513   2.576  -0.292
 1049TIP3    H137803   0.484   2.663  -0.257
 1049TIP3    H237804   0.438   2.519  -0.270
 1049TIP3   OH237805   0.235   2.167   1.123
 1049TIP3    H137806   0.196   2.140   1.037
 1049TIP3    H237807   0.327   2.137   1.111
 1050TIP3   OH237808   0.685   2.715   0.887
 1050TIP3    H137809   0.588   2.715   0.883
 1050TIP3    H237810   0.700   2.731   0.981
 1050TIP3   OH237811   1.284   2.520   1.046
 1050TIP3    H137812   1.189   2.536   1.028
 1050TIP3    H237813   1.315   2.496   0.956
 1050TIP3   OH237814   1.058   2.774  -0.222
 1050TIP3    H137815   1.025   2.697  -0.173
 1050TIP3    H237816   1.111   2.736  -0.292
 1050TIP3   OH237817   0.798   2.280   0.491
 1050TIP3    H137818   0.702   2.270   0.477
 1050TIP3    H237819   0.829   2.191   0.470
 1050TIP3   OH237820   0.052   2.688   0.099
 1050TIP3    H137821   0.100   2.772   0.100
 1050TIP3    H237822  -0.039   2.716   0.105
 1050TIP3   OH237823   0.244   2.910   0.716
 1050TIP3    H137824   0.301   2.984   0.688
 1050TIP3    H237825   0.305   2.859   0.772
 1050TIP3   OH237826   0.090   3.000   0.043
 1050TIP3    H137827  -0.006   3.012   0.050
 1050TIP3    H237828   0.123   3.089   0.065
 1050TIP3   OH237829   0.597   2.479   0.672
 1050TIP3    H137830   0.559   2.456   0.758
 1050TIP3    H237831   0.668   2.414   0.664
 1050TIP3   OH237832   0.794   2.614  -0.428
 1050TIP3    H137833   0.842   2.569  -0.356
 1050TIP3    H237834   0.703   2.594  -0.403
 1050TIP3   OH237835   0.880   2.942   0.914
 1050TIP3    H137836   0.805   2.894   0.874
 1050TIP3    H237837   0.888   3.020   0.855
 1051TIP3   OH237838   1.276   3.041  -0.381
 1051TIP3    H137839   1.346   3.105  -0.403
 1051TIP3    H237840   1.200   3.101  -0.381
 1051TIP3   OH237841   0.919   2.483  -0.190
 1051TIP3    H137842   0.875   2.404  -0.152
 1051TIP3    H237843   1.012   2.462  -0.170
 1051TIP3   OH237844  -0.363   2.858   0.719
 1051TIP3    H137845  -0.335   2.766   0.724
 1051TIP3    H237846  -0.334   2.891   0.805
 1051TIP3   OH237847   0.223   2.716  -0.578
 1051TIP3    H137848   0.250   2.635  -0.626
 1051TIP3    H237849   0.194   2.678  -0.493
 1051TIP3   OH237850   0.141   2.655  -0.305
 1051TIP3    H137851   0.162   2.608  -0.223
 1051TIP3    H237852   0.132   2.747  -0.274
 1051TIP3   OH237853   0.410   2.835  -0.242
 1051TIP3    H137854   0.324   2.879  -0.227
 1051TIP3    H237855   0.442   2.881  -0.321
 1051TIP3   OH237856   0.372   1.878   0.885
 1051TIP3    H137857   0.392   1.952   0.943
 1051TIP3    H237858   0.449   1.821   0.896
 1051TIP3   OH237859   0.127   2.935  -0.244
 1051TIP3    H137860   0.119   3.017  -0.297
 1051TIP3    H237861   0.112   2.968  -0.154
 1051TIP3   OH237862   0.983   2.969   0.501
 1051TIP3    H137863   0.967   3.052   0.451
 1051TIP3    H237864   1.075   2.981   0.527
 1051TIP3   OH237865  -0.371   2.790   0.043
 1051TIP3    H137866  -0.466   2.793   0.023
 1051TIP3    H237867  -0.335   2.806  -0.045
 1052TIP3   OH237868  -0.426   3.059   1.143
 1052TIP3    H137869  -0.368   3.031   1.216
 1052TIP3    H237870  -0.464   2.974   1.114
 1052TIP3   OH237871   0.043   2.966   1.321
 1052TIP3    H137872   0.112   2.901   1.342
 1052TIP3    H237873   0.021   2.939   1.230
 1052TIP3   OH237874   0.448   2.888  -0.527
 1052TIP3    H137875   0.373   2.826  -0.538
 1052TIP3    H237876   0.520   2.836  -0.565
 1052TIP3   OH237877   0.689   2.793   1.181
 1052TIP3    H137878   0.651   2.711   1.216
 1052TIP3    H237879   0.760   2.812   1.245
 1052TIP3   OH237880   0.911   2.880  -0.518
 1052TIP3    H137881   0.927   2.800  -0.465
 1052TIP3    H237882   0.991   2.884  -0.573
 1052TIP3   OH237883  -0.431   2.430   1.252
 1052TIP3    H137884  -0.416   2.336   1.229
 1052TIP3    H237885  -0.510   2.451   1.200
 1052TIP3   OH237886   0.231   2.444   1.191
 1052TIP3    H137887   0.205   2.474   1.103
 1052TIP3    H237888   0.245   2.348   1.178
 1052TIP3   OH237889   0.512   2.588  -0.581
 1052TIP3    H137890   0.504   2.584  -0.485
 1052TIP3    H237891   0.500   2.494  -0.605
 1052TIP3   OH237892   0.767   2.405   0.929
 1052TIP3    H137893   0.846   2.456   0.905
 1052TIP3    H237894   0.697   2.472   0.926
 1052TIP3   OH237895  -0.337   2.160   1.196
 1052TIP3    H137896  -0.266   2.094   1.183
 1052TIP3    H237897  -0.336   2.168   1.293
 1053TIP3   OH237898   0.026   2.059   0.905
 1053TIP3    H137899  -0.032   2.135   0.923
 1053TIP3    H237900   0.084   2.095   0.835
 1053TIP3   OH237901   0.552   2.319   1.272
 1053TIP3    H137902   0.640   2.299   1.238
 1053TIP3    H237903   0.525   2.233   1.307
 1053TIP3   OH237904   1.141   2.320  -0.553
 1053TIP3    H137905   1.122   2.283  -0.640
 1053TIP3    H237906   1.137   2.416  -0.572
 1053TIP3   OH237907   0.075   1.791   1.040
 1053TIP3    H137908   0.058   1.717   0.980
 1053TIP3    H237909   0.069   1.868   0.980
 1053TIP3   OH237910   0.294   2.179   0.817
 1053TIP3    H137911   0.366   2.169   0.753
 1053TIP3    H237912   0.242   2.250   0.774
 1053TIP3   OH237913   0.728   1.965   1.301
 1053TIP3    H137914   0.746   1.870   1.298
 1053TIP3    H237915   0.817   2.002   1.287
 1053TIP3   OH237916   0.824   2.228   1.128
 1053TIP3    H137917   0.788   2.289   1.061
 1053TIP3    H237918   0.918   2.224   1.098
 1053TIP3   OH237919  -0.108   1.954   1.203
 1053TIP3    H137920  -0.168   1.878   1.204
 1053TIP3    H237921  -0.030   1.918   1.157
 1053TIP3   OH237922   0.327   1.805   1.185
 1053TIP3    H137923   0.292   1.788   1.274
 1053TIP3    H237924   0.245   1.798   1.132
 1053TIP3   OH237925   0.586   1.731   1.058
 1053TIP3    H137926   0.500   1.730   1.102
 1053TIP3    H237927   0.635   1.660   1.103
 1054TIP3   OH237928   0.749   1.527   1.251
 1054TIP3    H137929   0.739   1.436   1.281
 1054TIP3    H237930   0.731   1.579   1.331
 1054TIP3   OH237931  -0.287   1.694   1.153
 1054TIP3    H137932  -0.236   1.620   1.121
 1054TIP3    H237933  -0.296   1.670   1.248
 1054TIP3   OH237934   0.266   1.499   1.304
 1054TIP3    H137935   0.268   1.447   1.223
 1054TIP3    H237936   0.197   1.567   1.288
 1054TIP3   OH237937   0.172   3.196  -0.374
 1054TIP3    H137938   0.267   3.207  -0.362
 1054TIP3    H237939   0.159   3.242  -0.458
 1054TIP3   OH237940  -0.429   2.661  -0.458
 1054TIP3    H137941  -0.368   2.651  -0.384
 1054TIP3    H237942  -0.462   2.570  -0.470
 1054TIP3   OH237943  -0.552   3.149   0.045
 1054TIP3    H137944  -0.623   3.104  -0.003
 1054TIP3    H237945  -0.531   3.083   0.114
 1054TIP3   OH237946  -0.509   2.964   0.261
 1054TIP3    H137947  -0.522   2.869   0.271
 1054TIP3    H237948  -0.461   2.987   0.342
 1054TIP3   OH237949   1.256   3.086   0.551
 1054TIP3    H137950   1.271   3.082   0.647
 1054TIP3    H237951   1.343   3.115   0.520
 1054TIP3   OH237952   1.247   3.029   0.839
 1054TIP3    H137953   1.193   2.955   0.804
 1054TIP3    H237954   1.299   2.982   0.905
 1054TIP3   OH237955   1.046   2.572   1.269
 1054TIP3    H137956   0.957   2.578   1.308
 1054TIP3    H237957   1.090   2.652   1.301
 1055TIP3   OH237958   1.191   2.418  -0.120
 1055TIP3    H137959   1.279   2.457  -0.105
 1055TIP3    H237960   1.189   2.346  -0.055
 1055TIP3   OH237961   1.205   2.507   0.538
 1055TIP3    H137962   1.264   2.453   0.482
 1055TIP3    H237963   1.219   2.596   0.503
 1055TIP3   OH237964   1.077   2.803   0.760
 1055TIP3    H137965   1.002   2.838   0.812
 1055TIP3    H237966   1.031   2.763   0.684
 1055TIP3   OH237967   1.264   2.194  -0.301
 1055TIP3    H137968   1.202   2.206  -0.374
 1055TIP3    H237969   1.240   2.265  -0.240
 1055TIP3   OH237970   1.131   1.934  -0.488
 1055TIP3    H137971   1.095   2.001  -0.545
 1055TIP3    H237972   1.072   1.858  -0.499
 1055TIP3   OH237973   1.039   2.041   0.177
 1055TIP3    H137974   1.043   1.985   0.097
 1055TIP3    H237975   0.961   2.095   0.167
 1055TIP3   OH237976   1.091   2.265   1.054
 1055TIP3    H137977   1.160   2.196   1.047
 1055TIP3    H237978   1.137   2.343   1.020
 1055TIP3   OH237979   1.247   2.051   1.158
 1055TIP3    H137980   1.164   2.007   1.128
 1055TIP3    H237981   1.312   1.982   1.135
 1055TIP3   OH237982   1.350   1.419   1.281
 1055TIP3    H137983   1.330   1.324   1.286
 1055TIP3    H237984   1.289   1.452   1.216
 1055TIP3   OH237985   0.943   3.094   0.131
 1055TIP3    H137986   0.990   3.065   0.051
 1055TIP3    H237987   1.016   3.124   0.187
 1056TIP3   OH237988  -0.314   2.760   1.203
 1056TIP3    H137989  -0.388   2.759   1.141
 1056TIP3    H237990  -0.359   2.755   1.289
 1056TIP3   OH237991  -0.033   2.858   0.771
 1056TIP3    H137992  -0.062   2.944   0.736
 1056TIP3    H237993   0.063   2.866   0.754
 1056TIP3   OH237994   0.418   2.992   1.074
 1056TIP3    H137995   0.434   2.971   1.168
 1056TIP3    H237996   0.502   3.033   1.048
 1056TIP3   OH237997   0.649   3.136   0.996
 1056TIP3    H137998   0.716   3.070   0.973
 1056TIP3    H237999   0.679   3.165   1.084
 1056TIP3   OH238000  -0.293   3.155   0.805
 1056TIP3    H138001  -0.354   3.216   0.760
 1056TIP3    H238002  -0.328   3.157   0.895
 1056TIP3   OH238003  -0.044   3.132   0.661
 1056TIP3    H138004  -0.130   3.149   0.704
 1056TIP3    H238005  -0.042   3.200   0.592
 1056TIP3   OH238006   0.430   3.131   0.616
 1056TIP3    H138007   0.391   3.176   0.538
 1056TIP3    H238008   0.438   3.205   0.679
 1056TIP3   OH238009   0.664   3.004   0.708
 1056TIP3    H138010   0.579   3.038   0.674
 1056TIP3    H238011   0.719   3.083   0.706
 1056TIP3   OH238012   0.918   3.176   0.727
 1056TIP3    H138013   0.913   3.271   0.704
 1056TIP3    H238014   0.944   3.138   0.642
 1056TIP3   OH238015  -0.339   3.031   0.496
 1056TIP3    H138016  -0.346   2.980   0.580
 1056TIP3    H238017  -0.261   2.987   0.455
 1057TIP3   OH238018  -0.134   2.898   0.344
 1057TIP3    H138019  -0.149   2.806   0.371
 1057TIP3    H238020  -0.044   2.915   0.376
 1057TIP3   OH238021   0.142   2.957   0.432
 1057TIP3    H138022   0.162   2.864   0.410
 1057TIP3    H238023   0.149   2.953   0.529
 1057TIP3   OH238024  -0.381   2.958  -0.190
 1057TIP3    H138025  -0.457   2.939  -0.247
 1057TIP3    H238026  -0.394   3.052  -0.172
 1057TIP3   OH238027   0.477   3.145  -0.367
 1057TIP3    H138028   0.574   3.145  -0.370
 1057TIP3    H238029   0.456   3.078  -0.434
 1057TIP3   OH238030   1.126   3.046  -0.107
 1057TIP3    H138031   1.104   2.961  -0.150
 1057TIP3    H238032   1.124   3.106  -0.183
 1057TIP3   OH238033  -0.094   1.378   1.252
 1057TIP3    H138034  -0.019   1.334   1.210
 1057TIP3    H238035  -0.141   1.304   1.292
 1057TIP3   OH238036  -0.244   3.059  -0.498
 1057TIP3    H138037  -0.274   3.078  -0.408
 1057TIP3    H238038  -0.165   3.005  -0.482
 1057TIP3   OH238039   1.077   2.924   1.130
 1057TIP3    H138040   1.004   2.902   1.070
 1057TIP3    H238041   1.058   3.017   1.151
 1057TIP3   OH238042   2.497   2.294   0.148
 1057TIP3    H138043   2.495   2.391   0.147
 1057TIP3    H238044   2.427   2.271   0.085
 1057TIP3   OH238045   2.368   2.241   0.453
 1057TIP3    H138046   2.376   2.181   0.529
 1057TIP3    H238047   2.358   2.177   0.381
 1058TIP3   OH238048   1.625   2.196   0.621
 1058TIP3    H138049   1.625   2.117   0.677
 1058TIP3    H238050   1.702   2.243   0.655
 1058TIP3   OH238051   2.749   2.510   0.283
 1058TIP3    H138052   2.712   2.436   0.335
 1058TIP3    H238053   2.779   2.569   0.353
 1058TIP3   OH238054   1.725   2.649   0.453
 1058TIP3    H138055   1.682   2.564   0.428
 1058TIP3    H238056   1.788   2.615   0.518
 1058TIP3   OH238057   1.468   2.240   0.218
 1058TIP3    H138058   1.454   2.145   0.230
 1058TIP3    H238059   1.530   2.240   0.145
 1058TIP3   OH238060   2.453   3.042   0.339
 1058TIP3    H138061   2.514   2.972   0.308
 1058TIP3    H238062   2.431   3.011   0.428
 1058TIP3   OH238063   2.220   2.495   0.490
 1058TIP3    H138064   2.253   2.413   0.450
 1058TIP3    H238065   2.295   2.516   0.547
 1058TIP3   OH238066   3.098   1.635   0.576
 1058TIP3    H138067   3.120   1.698   0.646
 1058TIP3    H238068   3.154   1.667   0.503
 1058TIP3   OH238069   2.576   1.908   0.561
 1058TIP3    H138070   2.541   1.817   0.571
 1058TIP3    H238071   2.553   1.922   0.468
 1058TIP3   OH238072   2.659   1.734   0.089
 1058TIP3    H138073   2.702   1.702   0.171
 1058TIP3    H238074   2.728   1.789   0.050
 1058TIP3   OH238075   1.611   1.985   0.348
 1058TIP3    H138076   1.644   1.917   0.407
 1058TIP3    H238077   1.571   1.936   0.275
 1059TIP3   OH238078   2.067   2.135   0.267
 1059TIP3    H138079   2.138   2.081   0.306
 1059TIP3    H238080   2.017   2.067   0.218
 1059TIP3   OH238081   3.172   1.777   0.821
 1059TIP3    H138082   3.112   1.847   0.791
 1059TIP3    H238083   3.144   1.769   0.914
 1059TIP3   OH238084   2.469   2.566   0.025
 1059TIP3    H138085   2.469   2.554  -0.071
 1059TIP3    H238086   2.445   2.660   0.034
 1059TIP3   OH238087   2.036   2.389   0.698
 1059TIP3    H138088   1.958   2.443   0.722
 1059TIP3    H238089   2.092   2.453   0.651
 1059TIP3   OH238090   2.834   1.660   0.306
 1059TIP3    H138091   2.786   1.597   0.361
 1059TIP3    H238092   2.872   1.721   0.370
 1059TIP3   OH238093   1.827   2.577   0.756
 1059TIP3    H138094   1.823   2.674   0.747
 1059TIP3    H238095   1.745   2.560   0.806
 1059TIP3   OH238096   1.457   2.542  -0.146
 1059TIP3    H138097   1.431   2.590  -0.227
 1059TIP3    H238098   1.470   2.614  -0.081
 1059TIP3   OH238099   2.806   2.689   0.532
 1059TIP3    H138100   2.709   2.701   0.535
 1059TIP3    H238101   2.834   2.776   0.496
 1059TIP3   OH238102   2.824   1.580   0.679
 1059TIP3    H138103   2.753   1.638   0.648
 1059TIP3    H238104   2.895   1.597   0.615
 1059TIP3   OH238105   2.115   1.331   0.355
 1059TIP3    H138106   2.130   1.250   0.404
 1059TIP3    H238107   2.068   1.389   0.416
 1060TIP3   OH238108   2.633   2.883   0.183
 1060TIP3    H138109   2.685   2.804   0.158
 1060TIP3    H238110   2.703   2.952   0.179
 1060TIP3   OH238111   2.775   2.671   0.054
 1060TIP3    H138112   2.740   2.620  -0.020
 1060TIP3    H238113   2.775   2.605   0.126
 1060TIP3   OH238114   2.937   2.552   0.900
 1060TIP3    H138115   2.924   2.487   0.829
 1060TIP3    H238116   2.948   2.635   0.850
 1060TIP3   OH238117   2.355   2.262  -0.132
 1060TIP3    H138118   2.289   2.285  -0.198
 1060TIP3    H238119   2.434   2.248  -0.188
 1060TIP3   OH238120   2.391   2.060  -0.424
 1060TIP3    H138121   2.462   2.091  -0.364
 1060TIP3    H238122   2.443   2.005  -0.485
 1060TIP3   OH238123   3.112   2.170   0.695
 1060TIP3    H138124   3.039   2.234   0.703
 1060TIP3    H238125   3.158   2.205   0.616
 1060TIP3   OH238126   2.713   2.244  -0.020
 1060TIP3    H138127   2.644   2.261   0.048
 1060TIP3    H238128   2.771   2.183   0.029
 1060TIP3   OH238129   2.698   2.099   0.861
 1060TIP3    H138130   2.699   2.182   0.911
 1060TIP3    H238131   2.631   2.122   0.795
 1060TIP3   OH238132   1.906   2.360   0.146
 1060TIP3    H138133   1.855   2.311   0.079
 1060TIP3    H238134   1.956   2.287   0.188
 1060TIP3   OH238135   1.926   2.206   0.503
 1060TIP3    H138136   1.989   2.198   0.430
 1060TIP3    H238137   1.975   2.261   0.568
 1061TIP3   OH238138   2.522   2.752   0.562
 1061TIP3    H138139   2.528   2.818   0.633
 1061TIP3    H238140   2.503   2.669   0.609
 1061TIP3   OH238141   2.016   2.635   0.986
 1061TIP3    H138142   1.965   2.698   1.040
 1061TIP3    H238143   1.950   2.605   0.922
 1061TIP3   OH238144   2.605   2.190  -0.276
 1061TIP3    H138145   2.655   2.214  -0.195
 1061TIP3    H238146   2.656   2.238  -0.345
 1061TIP3   OH238147   1.708   2.280   0.896
 1061TIP3    H138148   1.710   2.327   0.982
 1061TIP3    H238149   1.613   2.259   0.888
 1061TIP3   OH238150   2.332   2.844   0.095
 1061TIP3    H138151   2.404   2.874   0.153
 1061TIP3    H238152   2.306   2.926   0.050
 1061TIP3   OH238153   1.824   2.852   1.071
 1061TIP3    H138154   1.811   2.851   0.974
 1061TIP3    H238155   1.737   2.824   1.105
 1061TIP3   OH238156   2.927   1.367  -0.335
 1061TIP3    H138157   2.860   1.368  -0.267
 1061TIP3    H238158   2.979   1.446  -0.315
 1061TIP3   OH238159   1.766   2.194  -0.078
 1061TIP3    H138160   1.742   2.261  -0.144
 1061TIP3    H238161   1.707   2.121  -0.102
 1061TIP3   OH238162   3.088   2.774  -0.467
 1061TIP3    H138163   3.105   2.868  -0.450
 1061TIP3    H238164   3.177   2.735  -0.453
 1061TIP3   OH238165   1.372   2.460   0.778
 1061TIP3    H138166   1.323   2.457   0.694
 1061TIP3    H238167   1.383   2.364   0.796
 1062TIP3   OH238168   1.375   2.760   0.471
 1062TIP3    H138169   1.464   2.723   0.484
 1062TIP3    H238170   1.366   2.814   0.550
 1062TIP3   OH238171   3.214   2.815   1.052
 1062TIP3    H138172   3.203   2.720   1.033
 1062TIP3    H238173   3.123   2.838   1.081
 1062TIP3   OH238174   2.278   2.739   0.930
 1062TIP3    H138175   2.287   2.820   0.985
 1062TIP3    H238176   2.189   2.707   0.956
 1062TIP3   OH238177   2.309   3.115  -0.070
 1062TIP3    H138178   2.308   3.126  -0.167
 1062TIP3    H238179   2.311   3.208  -0.039
 1062TIP3   OH238180   1.685   3.034   0.089
 1062TIP3    H138181   1.702   2.986   0.173
 1062TIP3    H238182   1.603   2.993   0.060
 1062TIP3   OH238183   2.639   3.061  -0.353
 1062TIP3    H138184   2.697   2.997  -0.398
 1062TIP3    H238185   2.634   3.022  -0.263
 1062TIP3   OH238186   2.577   3.001  -0.075
 1062TIP3    H138187   2.483   3.020  -0.058
 1062TIP3    H238188   2.598   2.936  -0.005
 1062TIP3   OH238189   2.896   1.951   1.091
 1062TIP3    H138190   2.838   1.989   1.023
 1062TIP3    H238191   2.895   1.857   1.066
 1062TIP3   OH238192   1.589   2.616   0.904
 1062TIP3    H138193   1.617   2.570   0.986
 1062TIP3    H238194   1.516   2.560   0.872
 1062TIP3   OH238195   1.869   1.471   0.474
 1062TIP3    H138196   1.780   1.439   0.456
 1062TIP3    H238197   1.856   1.537   0.543
 1063TIP3   OH238198   2.351   1.420   0.854
 1063TIP3    H138199   2.394   1.353   0.911
 1063TIP3    H238200   2.257   1.396   0.856
 1063TIP3   OH238201   2.674   1.804   0.913
 1063TIP3    H138202   2.599   1.783   0.972
 1063TIP3    H238203   2.652   1.894   0.883
 1063TIP3   OH238204   2.764   2.294  -0.479
 1063TIP3    H138205   2.749   2.275  -0.574
 1063TIP3    H238206   2.857   2.320  -0.483
 1063TIP3   OH238207   2.285   1.651  -0.460
 1063TIP3    H138208   2.266   1.665  -0.366
 1063TIP3    H238209   2.277   1.555  -0.466
 1063TIP3   OH238210   1.866   1.905   0.607
 1063TIP3    H138211   1.803   1.923   0.679
 1063TIP3    H238212   1.870   1.991   0.562
 1063TIP3   OH238213   1.903   1.936   0.113
 1063TIP3    H138214   1.807   1.944   0.098
 1063TIP3    H238215   1.934   1.918   0.022
 1063TIP3   OH238216   2.460   2.017  -0.008
 1063TIP3    H138217   2.403   2.082  -0.052
 1063TIP3    H238218   2.513   1.982  -0.081
 1063TIP3   OH238219   2.368   2.027   1.125
 1063TIP3    H138220   2.317   1.950   1.157
 1063TIP3    H238221   2.456   2.011   1.163
 1063TIP3   OH238222   2.549   1.966   0.264
 1063TIP3    H138223   2.509   2.004   0.183
 1063TIP3    H238224   2.537   1.870   0.245
 1063TIP3   OH238225   1.629   1.939   0.805
 1063TIP3    H138226   1.643   1.967   0.897
 1063TIP3    H238227   1.564   1.867   0.814
 1064TIP3   OH238228   1.430   1.742  -0.259
 1064TIP3    H138229   1.499   1.795  -0.299
 1064TIP3    H238230   1.375   1.806  -0.211
 1064TIP3   OH238231   2.452   2.109   0.710
 1064TIP3    H138232   2.494   2.035   0.660
 1064TIP3    H238233   2.411   2.060   0.784
 1064TIP3   OH238234   2.110   1.685   0.217
 1064TIP3    H138235   2.060   1.729   0.287
 1064TIP3    H238236   2.194   1.667   0.265
 1064TIP3   OH238237   1.629   1.854   0.042
 1064TIP3    H138238   1.544   1.902   0.023
 1064TIP3    H238239   1.604   1.769   0.005
 1064TIP3   OH238240   1.974   1.849  -0.142
 1064TIP3    H138241   2.071   1.861  -0.137
 1064TIP3    H238242   1.948   1.903  -0.220
 1064TIP3   OH238243   1.843   1.993  -0.369
 1064TIP3    H138244   1.774   1.960  -0.430
 1064TIP3    H238245   1.916   2.011  -0.431
 1064TIP3   OH238246   2.906   3.200   1.182
 1064TIP3    H138247   2.927   3.245   1.099
 1064TIP3    H238248   2.976   3.231   1.241
 1064TIP3   OH238249   1.697   2.467   1.126
 1064TIP3    H138250   1.764   2.471   1.197
 1064TIP3    H238251   1.616   2.459   1.180
 1064TIP3   OH238252   2.267   1.959   0.401
 1064TIP3    H138253   2.330   1.899   0.356
 1064TIP3    H238254   2.245   1.896   0.472
 1064TIP3   OH238255   2.139   1.808   0.635
 1064TIP3    H138256   2.066   1.871   0.635
 1064TIP3    H238257   2.197   1.840   0.707
 1065TIP3   OH238258   2.139   2.470  -0.150
 1065TIP3    H138259   2.087   2.407  -0.204
 1065TIP3    H238260   2.171   2.412  -0.079
 1065TIP3   OH238261   2.902   2.364   0.684
 1065TIP3    H138262   2.950   2.418   0.619
 1065TIP3    H238263   2.816   2.351   0.639
 1065TIP3   OH238264   2.589   1.725  -0.424
 1065TIP3    H138265   2.492   1.723  -0.414
 1065TIP3    H238266   2.614   1.795  -0.360
 1065TIP3   OH238267   2.344   2.450   0.943
 1065TIP3    H138268   2.314   2.414   1.028
 1065TIP3    H238269   2.312   2.541   0.945
 1065TIP3   OH238270   2.670   1.910  -0.223
 1065TIP3    H138271   2.753   1.898  -0.174
 1065TIP3    H238272   2.678   2.001  -0.256
 1065TIP3   OH238273   1.700   2.380   0.384
 1065TIP3    H138274   1.758   2.361   0.309
 1065TIP3    H238275   1.694   2.293   0.427
 1065TIP3   OH238276   2.419   2.583  -0.292
 1065TIP3    H138277   2.389   2.671  -0.259
 1065TIP3    H238278   2.345   2.527  -0.268
 1065TIP3   OH238279   1.418   2.214   0.918
 1065TIP3    H138280   1.429   2.162   1.001
 1065TIP3    H238281   1.354   2.161   0.866
 1065TIP3   OH238282   2.113   2.164   1.111
 1065TIP3    H138283   2.085   2.139   1.021
 1065TIP3    H238284   2.205   2.133   1.109
 1065TIP3   OH238285   2.570   2.711   0.889
 1065TIP3    H138286   2.473   2.715   0.884
 1065TIP3    H238287   2.586   2.732   0.982
 1066TIP3   OH238288   3.167   1.902  -0.264
 1066TIP3    H138289   3.091   1.883  -0.324
 1066TIP3    H238290   3.154   1.999  -0.256
 1066TIP3   OH238291   3.168   2.517   1.047
 1066TIP3    H138292   3.074   2.538   1.028
 1066TIP3    H238293   3.201   2.498   0.957
 1066TIP3   OH238294   2.940   2.772  -0.223
 1066TIP3    H138295   2.925   2.692  -0.171
 1066TIP3    H238296   2.996   2.741  -0.296
 1066TIP3   OH238297   2.667   2.308   0.513
 1066TIP3    H138298   2.574   2.290   0.491
 1066TIP3    H238299   2.711   2.234   0.466
 1066TIP3   OH238300   1.527   2.204  -0.419
 1066TIP3    H138301   1.581   2.271  -0.373
 1066TIP3    H238302   1.438   2.218  -0.380
 1066TIP3   OH238303   2.132   2.910   0.713
 1066TIP3    H138304   2.188   2.987   0.692
 1066TIP3    H238305   2.190   2.860   0.773
 1066TIP3   OH238306   1.979   2.969   0.060
 1066TIP3    H138307   1.884   2.990   0.056
 1066TIP3    H238308   2.017   3.057   0.075
 1066TIP3   OH238309   2.470   2.488   0.673
 1066TIP3    H138310   2.439   2.457   0.760
 1066TIP3    H238311   2.540   2.424   0.652
 1066TIP3   OH238312   2.686   2.615  -0.433
 1066TIP3    H138313   2.730   2.572  -0.358
 1066TIP3    H238314   2.593   2.600  -0.407
 1066TIP3   OH238315   2.766   2.942   0.913
 1066TIP3    H138316   2.690   2.895   0.872
 1066TIP3    H238317   2.775   3.021   0.856
 1067TIP3   OH238318   3.161   3.042  -0.380
 1067TIP3    H138319   3.232   3.104  -0.404
 1067TIP3    H238320   3.085   3.103  -0.383
 1067TIP3   OH238321   2.784   2.479  -0.191
 1067TIP3    H138322   2.759   2.402  -0.136
 1067TIP3    H238323   2.881   2.474  -0.189
 1067TIP3   OH238324   1.532   2.852   0.720
 1067TIP3    H138325   1.552   2.760   0.746
 1067TIP3    H238326   1.546   2.896   0.805
 1067TIP3   OH238327   2.112   2.721  -0.578
 1067TIP3    H138328   2.140   2.643  -0.628
 1067TIP3    H238329   2.069   2.681  -0.501
 1067TIP3   OH238330   2.002   2.673  -0.309
 1067TIP3    H138331   2.049   2.617  -0.244
 1067TIP3    H238332   2.016   2.763  -0.275
 1067TIP3   OH238333   1.682   2.418  -0.262
 1067TIP3    H138334   1.606   2.453  -0.212
 1067TIP3    H238335   1.722   2.500  -0.295
 1067TIP3   OH238336   2.444   1.694   0.758
 1067TIP3    H138337   2.525   1.673   0.806
 1067TIP3    H238338   2.404   1.606   0.746
 1067TIP3   OH238339   2.490   1.668  -0.148
 1067TIP3    H138340   2.563   1.669  -0.210
 1067TIP3    H238341   2.536   1.669  -0.062
 1067TIP3   OH238342   2.292   2.836  -0.239
 1067TIP3    H138343   2.208   2.885  -0.229
 1067TIP3    H238344   2.329   2.879  -0.318
 1067TIP3   OH238345   2.232   1.816  -0.037
 1067TIP3    H138346   2.326   1.840  -0.030
 1067TIP3    H238347   2.216   1.778   0.051
 1068TIP3   OH238348   2.287   1.899   0.870
 1068TIP3    H138349   2.306   1.939   0.956
 1068TIP3    H238350   2.343   1.818   0.870
 1068TIP3   OH238351   2.013   2.942  -0.239
 1068TIP3    H138352   2.004   3.020  -0.297
 1068TIP3    H238353   1.997   2.980  -0.151
 1068TIP3   OH238354   2.920   1.695   0.958
 1068TIP3    H138355   2.824   1.715   0.948
 1068TIP3    H238356   2.940   1.676   0.865
 1068TIP3   OH238357   2.774   2.086   0.364
 1068TIP3    H138358   2.688   2.046   0.334
 1068TIP3    H238359   2.815   2.010   0.410
 1068TIP3   OH238360   1.725   2.694  -0.389
 1068TIP3    H138361   1.799   2.746  -0.353
 1068TIP3    H238362   1.772   2.645  -0.458
 1068TIP3   OH238363   1.564   1.934  -0.481
 1068TIP3    H138364   1.552   2.023  -0.441
 1068TIP3    H238365   1.474   1.902  -0.489
 1068TIP3   OH238366   2.869   2.968   0.501
 1068TIP3    H138367   2.853   3.050   0.451
 1068TIP3    H238368   2.961   2.981   0.526
 1068TIP3   OH238369   1.519   2.765   0.028
 1068TIP3    H138370   1.441   2.817   0.052
 1068TIP3    H238371   1.557   2.819  -0.044
 1068TIP3   OH238372   1.460   3.059   1.142
 1068TIP3    H138373   1.518   3.030   1.215
 1068TIP3    H238374   1.421   2.973   1.115
 1068TIP3   OH238375   1.929   2.967   1.320
 1068TIP3    H138376   1.997   2.901   1.343
 1068TIP3    H238377   1.906   2.938   1.230
 1069TIP3   OH238378   2.335   2.889  -0.523
 1069TIP3    H138379   2.260   2.827  -0.539
 1069TIP3    H238380   2.407   2.839  -0.566
 1069TIP3   OH238381   2.577   2.791   1.179
 1069TIP3    H138382   2.537   2.711   1.216
 1069TIP3    H238383   2.645   2.813   1.244
 1069TIP3   OH238384   2.797   2.882  -0.517
 1069TIP3    H138385   2.815   2.801  -0.467
 1069TIP3    H238386   2.875   2.887  -0.576
 1069TIP3   OH238387   1.456   2.423   1.254
 1069TIP3    H138388   1.465   2.331   1.223
 1069TIP3    H238389   1.379   2.452   1.203
 1069TIP3   OH238390   1.877   2.466  -0.543
 1069TIP3    H138391   1.890   2.402  -0.471
 1069TIP3    H238392   1.962   2.458  -0.590
 1069TIP3   OH238393   2.119   2.440   1.188
 1069TIP3    H138394   2.088   2.471   1.102
 1069TIP3    H238395   2.125   2.343   1.174
 1069TIP3   OH238396   2.398   2.596  -0.582
 1069TIP3    H138397   2.398   2.591  -0.485
 1069TIP3    H238398   2.396   2.501  -0.605
 1069TIP3   OH238399   2.655   2.402   0.928
 1069TIP3    H138400   2.733   2.456   0.907
 1069TIP3    H238401   2.584   2.468   0.925
 1069TIP3   OH238402   1.546   2.138   1.168
 1069TIP3    H138403   1.618   2.073   1.170
 1069TIP3    H238404   1.533   2.154   1.263
 1069TIP3   OH238405   1.995   2.273  -0.298
 1069TIP3    H138406   1.927   2.222  -0.252
 1069TIP3    H238407   2.020   2.210  -0.369
 1070TIP3   OH238408   1.912   2.040   0.897
 1070TIP3    H138409   1.858   2.114   0.927
 1070TIP3    H238410   1.978   2.084   0.841
 1070TIP3   OH238411   2.086   2.084  -0.482
 1070TIP3    H138412   2.078   2.075  -0.579
 1070TIP3    H238413   2.182   2.075  -0.470
 1070TIP3   OH238414   2.438   2.320   1.272
 1070TIP3    H138415   2.527   2.299   1.240
 1070TIP3    H238416   2.411   2.235   1.310
 1070TIP3   OH238417   3.032   2.312  -0.569
 1070TIP3    H138418   3.035   2.277  -0.659
 1070TIP3    H238419   3.028   2.408  -0.586
 1070TIP3   OH238420   1.967   1.778   1.026
 1070TIP3    H138421   1.968   1.709   0.958
 1070TIP3    H238422   1.948   1.858   0.973
 1070TIP3   OH238423   1.970   1.620   0.750
 1070TIP3    H138424   2.041   1.672   0.707
 1070TIP3    H238425   1.892   1.663   0.713
 1070TIP3   OH238426   2.154   2.169   0.815
 1070TIP3    H138427   2.237   2.155   0.767
 1070TIP3    H238428   2.128   2.258   0.784
 1070TIP3   OH238429   2.612   1.964   1.295
 1070TIP3    H138430   2.632   1.869   1.302
 1070TIP3    H238431   2.701   2.002   1.287
 1070TIP3   OH238432   2.711   2.242   1.143
 1070TIP3    H138433   2.674   2.302   1.074
 1070TIP3    H238434   2.798   2.225   1.104
 1070TIP3   OH238435   1.789   1.962   1.203
 1070TIP3    H138436   1.730   1.884   1.205
 1070TIP3    H238437   1.869   1.925   1.163
 1071TIP3   OH238438   2.075   1.363   0.818
 1071TIP3    H138439   2.043   1.454   0.795
 1071TIP3    H238440   2.008   1.309   0.769
 1071TIP3   OH238441   2.198   1.816   1.189
 1071TIP3    H138442   2.161   1.792   1.276
 1071TIP3    H238443   2.121   1.796   1.133
 1071TIP3   OH238444   2.458   1.724   1.080
 1071TIP3    H138445   2.365   1.723   1.110
 1071TIP3    H238446   2.498   1.654   1.134
 1071TIP3   OH238447   2.647   1.567   1.252
 1071TIP3    H138448   2.621   1.474   1.261
 1071TIP3    H238449   2.617   1.608   1.335
 1071TIP3   OH238450   1.639   1.705   1.178
 1071TIP3    H138451   1.638   1.627   1.121
 1071TIP3    H238452   1.628   1.664   1.267
 1071TIP3   OH238453   2.091   1.277   1.097
 1071TIP3    H138454   2.168   1.219   1.095
 1071TIP3    H238455   2.077   1.295   1.002
 1071TIP3   OH238456   2.149   1.490   1.276
 1071TIP3    H138457   2.126   1.426   1.206
 1071TIP3    H238458   2.075   1.553   1.273
 1071TIP3   OH238459   2.058   3.194  -0.374
 1071TIP3    H138460   2.154   3.207  -0.364
 1071TIP3    H238461   2.042   3.241  -0.457
 1071TIP3   OH238462   1.447   2.637  -0.425
 1071TIP3    H138463   1.543   2.654  -0.408
 1071TIP3    H238464   1.450   2.557  -0.481
 1071TIP3   OH238465   1.347   3.157   0.052
 1071TIP3    H138466   1.275   3.118  -0.002
 1071TIP3    H238467   1.358   3.087   0.121
 1072TIP3   OH238468   1.387   2.958   0.250
 1072TIP3    H138469   1.357   2.871   0.282
 1072TIP3    H238470   1.419   2.994   0.334
 1072TIP3   OH238471   3.140   3.085   0.552
 1072TIP3    H138472   3.158   3.082   0.648
 1072TIP3    H238473   3.226   3.114   0.518
 1072TIP3   OH238474   3.131   3.029   0.840
 1072TIP3    H138475   3.079   2.955   0.804
 1072TIP3    H238476   3.187   2.982   0.904
 1072TIP3   OH238477   2.931   2.572   1.269
 1072TIP3    H138478   2.842   2.579   1.308
 1072TIP3    H238479   2.976   2.652   1.300
 1072TIP3   OH238480   3.069   2.461  -0.159
 1072TIP3    H138481   3.160   2.495  -0.145
 1072TIP3    H238482   3.064   2.397  -0.085
 1072TIP3   OH238483   3.116   2.257   0.039
 1072TIP3    H138484   3.048   2.202   0.083
 1072TIP3    H238485   3.184   2.270   0.108
 1072TIP3   OH238486   3.090   2.508   0.538
 1072TIP3    H138487   3.151   2.459   0.481
 1072TIP3    H238488   3.103   2.600   0.507
 1072TIP3   OH238489   2.961   2.800   0.761
 1072TIP3    H138490   2.888   2.840   0.812
 1072TIP3    H238491   2.915   2.763   0.684
 1072TIP3   OH238492   3.142   2.193  -0.301
 1072TIP3    H138493   3.088   2.218  -0.378
 1072TIP3    H238494   3.132   2.270  -0.244
 1072TIP3   OH238495   2.980   1.953  -0.477
 1072TIP3    H138496   2.986   2.017  -0.550
 1072TIP3    H238497   2.947   1.875  -0.524
 1073TIP3   OH238498   2.912   2.068   0.121
 1073TIP3    H138499   2.899   1.973   0.106
 1073TIP3    H238500   2.872   2.080   0.209
 1073TIP3   OH238501   1.391   2.286   0.486
 1073TIP3    H138502   1.416   2.286   0.392
 1073TIP3    H238503   1.477   2.265   0.529
 1073TIP3   OH238504   2.971   2.265   1.035
 1073TIP3    H138505   3.044   2.202   1.052
 1073TIP3    H238506   3.018   2.347   1.017
 1073TIP3   OH238507   3.127   2.075   1.157
 1073TIP3    H138508   3.047   2.022   1.134
 1073TIP3    H238509   3.196   2.006   1.154
 1073TIP3   OH238510   2.913   1.684  -0.552
 1073TIP3    H138511   2.963   1.631  -0.489
 1073TIP3    H238512   2.830   1.635  -0.561
 1073TIP3   OH238513   2.907   1.819  -0.070
 1073TIP3    H138514   2.922   1.722  -0.064
 1073TIP3    H238515   2.990   1.849  -0.107
 1073TIP3   OH238516   2.923   1.879   0.482
 1073TIP3    H138517   3.020   1.893   0.484
 1073TIP3    H238518   2.903   1.887   0.577
 1073TIP3   OH238519   2.938   1.950   0.763
 1073TIP3    H138520   2.852   1.985   0.792
 1073TIP3    H238521   2.987   2.032   0.744
 1073TIP3   OH238522   1.356   1.794   1.099
 1073TIP3    H138523   1.449   1.770   1.115
 1073TIP3    H238524   1.309   1.720   1.138
 1073TIP3   OH238525   3.196   1.368   1.295
 1073TIP3    H138526   3.234   1.298   1.238
 1073TIP3    H238527   3.195   1.445   1.235
 1074TIP3   OH238528   2.927   1.523  -0.072
 1074TIP3    H138529   2.946   1.501   0.021
 1074TIP3    H238530   2.839   1.483  -0.082
 1074TIP3   OH238531   1.339   1.952   0.496
 1074TIP3    H138532   1.382   1.942   0.411
 1074TIP3    H238533   1.380   2.030   0.532
 1074TIP3   OH238534   3.129   1.570   1.118
 1074TIP3    H138535   3.042   1.614   1.123
 1074TIP3    H238536   3.117   1.517   1.037
 1074TIP3   OH238537   3.158   1.586  -0.381
 1074TIP3    H138538   3.170   1.507  -0.437
 1074TIP3    H238539   3.202   1.654  -0.432
 1074TIP3   OH238540   2.829   3.087   0.133
 1074TIP3    H138541   2.875   3.065   0.051
 1074TIP3    H238542   2.900   3.128   0.185
 1074TIP3   OH238543   1.570   2.766   1.204
 1074TIP3    H138544   1.497   2.757   1.141
 1074TIP3    H238545   1.526   2.753   1.289
 1074TIP3   OH238546   1.855   2.856   0.768
 1074TIP3    H138547   1.822   2.942   0.738
 1074TIP3    H238548   1.951   2.870   0.756
 1074TIP3   OH238549   2.305   2.989   1.073
 1074TIP3    H138550   2.319   2.972   1.167
 1074TIP3    H238551   2.389   3.034   1.048
 1074TIP3   OH238552   2.534   3.135   0.996
 1074TIP3    H138553   2.603   3.070   0.975
 1074TIP3    H238554   2.564   3.166   1.084
 1074TIP3   OH238555   3.017   1.394   0.914
 1074TIP3    H138556   2.935   1.414   0.865
 1074TIP3    H238557   3.037   1.304   0.880
 1075TIP3   OH238558   1.592   3.154   0.804
 1075TIP3    H138559   1.532   3.217   0.761
 1075TIP3    H238560   1.559   3.158   0.895
 1075TIP3   OH238561   1.840   3.130   0.657
 1075TIP3    H138562   1.756   3.149   0.702
 1075TIP3    H238563   1.845   3.202   0.591
 1075TIP3   OH238564   2.314   3.131   0.616
 1075TIP3    H138565   2.279   3.179   0.538
 1075TIP3    H238566   2.325   3.205   0.680
 1075TIP3   OH238567   2.549   3.003   0.706
 1075TIP3    H138568   2.464   3.039   0.675
 1075TIP3    H238569   2.605   3.082   0.707
 1075TIP3   OH238570   2.802   3.176   0.727
 1075TIP3    H138571   2.798   3.271   0.705
 1075TIP3    H238572   2.830   3.139   0.641
 1075TIP3   OH238573   1.550   3.034   0.500
 1075TIP3    H138574   1.547   2.985   0.585
 1075TIP3    H238575   1.626   2.991   0.457
 1075TIP3   OH238576   1.756   2.903   0.336
 1075TIP3    H138577   1.738   2.812   0.371
 1075TIP3    H238578   1.841   2.925   0.378
 1075TIP3   OH238579   2.023   2.944   0.437
 1075TIP3    H138580   2.066   2.860   0.425
 1075TIP3    H238581   2.035   2.957   0.533
 1075TIP3   OH238582   2.854   1.347   0.409
 1075TIP3    H138583   2.923   1.392   0.357
 1075TIP3    H238584   2.773   1.362   0.355
 1075TIP3   OH238585   3.056   1.462   0.178
 1075TIP3    H138586   3.131   1.413   0.141
 1075TIP3    H238587   3.092   1.549   0.200
 1076TIP3   OH238588   2.625   1.354   0.251
 1076TIP3    H138589   2.597   1.382   0.163
 1076TIP3    H238590   2.573   1.274   0.262
 1076TIP3   OH238591   1.495   2.960  -0.178
 1076TIP3    H138592   1.431   2.948  -0.250
 1076TIP3    H238593   1.493   3.056  -0.169
 1076TIP3   OH238594   2.132   1.557  -0.200
 1076TIP3    H138595   2.176   1.503  -0.134
 1076TIP3    H238596   2.137   1.646  -0.162
 1076TIP3   OH238597   2.361   3.142  -0.364
 1076TIP3    H138598   2.458   3.146  -0.370
 1076TIP3    H238599   2.342   3.078  -0.434
 1076TIP3   OH238600   3.009   3.047  -0.107
 1076TIP3    H138601   2.989   2.962  -0.151
 1076TIP3    H238602   3.013   3.107  -0.183
 1076TIP3   OH238603   1.576   1.418   1.060
 1076TIP3    H138604   1.528   1.372   1.130
 1076TIP3    H238605   1.667   1.415   1.093
 1076TIP3   OH238606   1.826   1.374   1.235
 1076TIP3    H138607   1.902   1.322   1.204
 1076TIP3    H238608   1.780   1.309   1.293
 1076TIP3   OH238609   1.639   3.057  -0.498
 1076TIP3    H138610   1.615   3.083  -0.408
 1076TIP3    H238611   1.714   2.998  -0.485
 1076TIP3   OH238612   2.625   1.289   1.260
 1076TIP3    H138613   2.634   1.252   1.350
 1076TIP3    H238614   2.718   1.288   1.230
 1076TIP3   OH238615   2.963   2.923   1.131
 1076TIP3    H138616   2.889   2.903   1.070
 1076TIP3    H238617   2.944   3.017   1.151
 1077TIP3   OH238618   4.211   2.201   0.458
 1077TIP3    H138619   4.291   2.227   0.509
 1077TIP3    H238620   4.245   2.196   0.368
 1077TIP3   OH238621   3.515   2.192   0.618
 1077TIP3    H138622   3.513   2.118   0.681
 1077TIP3    H238623   3.586   2.247   0.655
 1077TIP3   OH238624   3.581   2.657   0.468
 1077TIP3    H138625   3.557   2.565   0.443
 1077TIP3    H238626   3.674   2.644   0.491
 1077TIP3   OH238627   3.281   2.000  -0.007
 1077TIP3    H138628   3.241   2.085   0.015
 1077TIP3    H238629   3.203   1.944  -0.018
 1077TIP3   OH238630   3.360   2.241   0.190
 1077TIP3    H138631   3.376   2.160   0.243
 1077TIP3    H238632   3.446   2.255   0.149
 1077TIP3   OH238633   4.120   2.486   0.518
 1077TIP3    H138634   4.145   2.411   0.462
 1077TIP3    H238635   4.204   2.507   0.561
 1077TIP3   OH238636   3.742   1.721   0.267
 1077TIP3    H138637   3.759   1.806   0.223
 1077TIP3    H238638   3.710   1.668   0.192
 1077TIP3   OH238639   3.413   1.994   0.317
 1077TIP3    H138640   3.474   1.947   0.377
 1077TIP3    H238641   3.422   1.943   0.235
 1077TIP3   OH238642   3.952   2.129   0.264
 1077TIP3    H138643   4.027   2.077   0.300
 1077TIP3    H238644   3.902   2.059   0.218
 1077TIP3   OH238645   3.624   1.598   0.682
 1077TIP3    H138646   3.584   1.649   0.610
 1077TIP3    H238647   3.558   1.612   0.753
 1078TIP3   OH238648   3.915   2.381   0.697
 1078TIP3    H138649   3.843   2.442   0.722
 1078TIP3    H238650   3.980   2.442   0.658
 1078TIP3   OH238651   3.583   1.804   0.477
 1078TIP3    H138652   3.648   1.861   0.523
 1078TIP3    H238653   3.641   1.766   0.407
 1078TIP3   OH238654   3.715   2.573   0.768
 1078TIP3    H138655   3.713   2.665   0.736
 1078TIP3    H238656   3.628   2.569   0.812
 1078TIP3   OH238657   3.345   2.544  -0.144
 1078TIP3    H138658   3.329   2.594  -0.226
 1078TIP3    H238659   3.364   2.615  -0.079
 1078TIP3   OH238660   4.044   1.346   0.397
 1078TIP3    H138661   4.017   1.252   0.394
 1078TIP3    H238662   3.963   1.388   0.434
 1078TIP3   OH238663   4.273   2.228  -0.139
 1078TIP3    H138664   4.202   2.295  -0.148
 1078TIP3    H238665   4.329   2.253  -0.213
 1078TIP3   OH238666   4.289   2.075  -0.422
 1078TIP3    H138667   4.366   2.069  -0.364
 1078TIP3    H238668   4.296   1.996  -0.476
 1078TIP3   OH238669   3.757   2.317   0.157
 1078TIP3    H138670   3.730   2.274   0.074
 1078TIP3    H238671   3.824   2.254   0.191
 1078TIP3   OH238672   3.897   2.657   0.432
 1078TIP3    H138673   3.888   2.618   0.343
 1078TIP3    H238674   3.977   2.612   0.465
 1078TIP3   OH238675   3.815   2.201   0.503
 1078TIP3    H138676   3.876   2.199   0.427
 1078TIP3    H238677   3.858   2.266   0.562
 1079TIP3   OH238678   3.904   2.635   0.987
 1079TIP3    H138679   3.851   2.701   1.036
 1079TIP3    H238680   3.840   2.608   0.918
 1079TIP3   OH238681   3.595   2.270   0.900
 1079TIP3    H138682   3.600   2.329   0.978
 1079TIP3    H238683   3.498   2.258   0.892
 1079TIP3   OH238684   4.249   2.842   0.076
 1079TIP3    H138685   4.299   2.893   0.142
 1079TIP3    H238686   4.200   2.912   0.030
 1079TIP3   OH238687   3.711   2.852   1.070
 1079TIP3    H138688   3.700   2.855   0.974
 1079TIP3    H238689   3.623   2.823   1.101
 1079TIP3   OH238690   3.654   2.191  -0.101
 1079TIP3    H138691   3.632   2.273  -0.150
 1079TIP3    H238692   3.573   2.140  -0.111
 1079TIP3   OH238693   3.257   2.461   0.781
 1079TIP3    H138694   3.211   2.460   0.695
 1079TIP3    H238695   3.269   2.365   0.798
 1079TIP3   OH238696   3.261   2.754   0.474
 1079TIP3    H138697   3.354   2.725   0.479
 1079TIP3    H238698   3.257   2.814   0.550
 1079TIP3   OH238699   4.173   2.735   0.938
 1079TIP3    H138700   4.180   2.824   0.975
 1079TIP3    H238701   4.082   2.709   0.959
 1079TIP3   OH238702   4.186   3.118  -0.072
 1079TIP3    H138703   4.203   3.122  -0.167
 1079TIP3    H238704   4.207   3.207  -0.041
 1079TIP3   OH238705   3.574   3.033   0.091
 1079TIP3    H138706   3.588   2.988   0.176
 1079TIP3    H238707   3.491   2.993   0.061
 1080TIP3   OH238708   3.474   2.616   0.907
 1080TIP3    H138709   3.502   2.568   0.987
 1080TIP3    H238710   3.401   2.561   0.872
 1080TIP3   OH238711   3.797   1.462   0.481
 1080TIP3    H138712   3.715   1.454   0.430
 1080TIP3    H238713   3.773   1.536   0.540
 1080TIP3   OH238714   4.233   1.398   0.909
 1080TIP3    H138715   4.245   1.325   0.971
 1080TIP3    H238716   4.142   1.380   0.877
 1080TIP3   OH238717   4.232   1.679  -0.415
 1080TIP3    H138718   4.168   1.658  -0.346
 1080TIP3    H238719   4.206   1.615  -0.484
 1080TIP3   OH238720   3.779   1.942   0.623
 1080TIP3    H138721   3.719   1.954   0.699
 1080TIP3    H238722   3.787   2.034   0.587
 1080TIP3   OH238723   3.774   1.950   0.112
 1080TIP3    H138724   3.678   1.939   0.095
 1080TIP3    H238725   3.810   1.931   0.023
 1080TIP3   OH238726   4.277   2.002   0.061
 1080TIP3    H138727   4.263   2.095   0.038
 1080TIP3    H238728   4.370   2.000   0.085
 1080TIP3   OH238729   4.252   2.032   1.145
 1080TIP3    H138730   4.195   1.952   1.158
 1080TIP3    H238731   4.338   1.987   1.143
 1080TIP3   OH238732   3.517   1.959   0.807
 1080TIP3    H138733   3.542   1.989   0.895
 1080TIP3    H238734   3.481   1.870   0.826
 1080TIP3   OH238735   3.865   1.724  -0.535
 1080TIP3    H138736   3.822   1.681  -0.458
 1080TIP3    H238737   3.790   1.738  -0.595
 1081TIP3   OH238738   3.211   1.720   0.167
 1081TIP3    H138739   3.262   1.700   0.248
 1081TIP3    H238740   3.251   1.665   0.098
 1081TIP3   OH238741   4.350   2.084   0.749
 1081TIP3    H138742   4.378   2.019   0.682
 1081TIP3    H238743   4.272   2.040   0.785
 1081TIP3   OH238744   4.048   1.689   0.215
 1081TIP3    H138745   3.955   1.696   0.240
 1081TIP3    H238746   4.090   1.708   0.300
 1081TIP3   OH238747   3.513   1.837   0.073
 1081TIP3    H138748   3.420   1.849   0.045
 1081TIP3    H238749   3.535   1.747   0.040
 1081TIP3   OH238750   3.874   1.862  -0.152
 1081TIP3    H138751   3.970   1.870  -0.141
 1081TIP3    H238752   3.855   1.926  -0.222
 1081TIP3   OH238753   3.682   1.970  -0.389
 1081TIP3    H138754   3.669   1.963  -0.486
 1081TIP3    H238755   3.774   2.002  -0.393
 1081TIP3   OH238756   3.582   2.462   1.124
 1081TIP3    H138757   3.650   2.470   1.194
 1081TIP3    H238758   3.502   2.460   1.179
 1081TIP3   OH238759   4.138   1.923   0.358
 1081TIP3    H138760   4.217   1.892   0.312
 1081TIP3    H238761   4.163   1.911   0.451
 1081TIP3   OH238762   3.679   1.603   0.011
 1081TIP3    H138763   3.626   1.523   0.030
 1081TIP3    H238764   3.762   1.565  -0.019
 1081TIP3   OH238765   4.049   1.797   0.626
 1081TIP3    H138766   3.980   1.863   0.611
 1081TIP3    H238767   4.100   1.837   0.699
 1082TIP3   OH238768   4.075   2.428  -0.184
 1082TIP3    H138769   3.994   2.388  -0.222
 1082TIP3    H238770   4.049   2.443  -0.090
 1082TIP3   OH238771   4.207   2.433   0.938
 1082TIP3    H138772   4.183   2.423   1.031
 1082TIP3    H238773   4.213   2.529   0.927
 1082TIP3   OH238774   3.577   2.385   0.392
 1082TIP3    H138775   3.636   2.376   0.315
 1082TIP3    H238776   3.591   2.300   0.437
 1082TIP3   OH238777   4.287   2.575  -0.289
 1082TIP3    H138778   4.260   2.664  -0.260
 1082TIP3    H238779   4.211   2.522  -0.256
 1082TIP3   OH238780   3.305   2.214   0.919
 1082TIP3    H138781   3.320   2.169   1.005
 1082TIP3    H238782   3.243   2.154   0.874
 1082TIP3   OH238783   4.002   2.164   1.122
 1082TIP3    H138784   3.966   2.134   1.036
 1082TIP3    H238785   4.096   2.139   1.112
 1082TIP3   OH238786   3.815   2.715   0.119
 1082TIP3    H138787   3.858   2.801   0.107
 1082TIP3    H238788   3.724   2.735   0.095
 1082TIP3   OH238789   3.414   2.152  -0.395
 1082TIP3    H138790   3.476   2.228  -0.392
 1082TIP3    H238791   3.328   2.199  -0.394
 1082TIP3   OH238792   3.994   2.482   0.078
 1082TIP3    H138793   3.970   2.575   0.095
 1082TIP3    H238794   3.923   2.436   0.123
 1082TIP3   OH238795   4.020   2.914   0.720
 1082TIP3    H138796   4.077   2.985   0.686
 1082TIP3    H238797   4.084   2.861   0.770
 1083TIP3   OH238798   3.860   3.004   0.042
 1083TIP3    H138799   3.764   3.022   0.049
 1083TIP3    H238800   3.897   3.092   0.064
 1083TIP3   OH238801   3.435   1.679   0.882
 1083TIP3    H138802   3.345   1.705   0.855
 1083TIP3    H238803   3.420   1.591   0.921
 1083TIP3   OH238804   3.412   2.854   0.721
 1083TIP3    H138805   3.441   2.763   0.737
 1083TIP3    H238806   3.435   2.895   0.805
 1083TIP3   OH238807   3.995   2.724  -0.577
 1083TIP3    H138808   4.029   2.647  -0.627
 1083TIP3    H238809   3.956   2.680  -0.499
 1083TIP3   OH238810   3.888   2.667  -0.301
 1083TIP3    H138811   3.935   2.620  -0.232
 1083TIP3    H238812   3.898   2.760  -0.274
 1083TIP3   OH238813   3.565   2.409  -0.266
 1083TIP3    H138814   3.490   2.450  -0.220
 1083TIP3    H238815   3.611   2.488  -0.301
 1083TIP3   OH238816   4.337   1.706   0.791
 1083TIP3    H138817   4.387   1.628   0.813
 1083TIP3    H238818   4.275   1.671   0.725
 1083TIP3   OH238819   4.168   2.832  -0.251
 1083TIP3    H138820   4.089   2.883  -0.228
 1083TIP3    H238821   4.211   2.891  -0.315
 1083TIP3   OH238822   4.138   1.797  -0.043
 1083TIP3    H138823   4.200   1.867  -0.015
 1083TIP3    H238824   4.102   1.774   0.045
 1083TIP3   OH238825   4.163   1.892   0.876
 1083TIP3    H138826   4.185   1.945   0.954
 1083TIP3    H238827   4.234   1.826   0.873
 1084TIP3   OH238828   4.194   1.503   0.075
 1084TIP3    H138829   4.165   1.581   0.127
 1084TIP3    H238830   4.271   1.538   0.026
 1084TIP3   OH238831   3.894   2.939  -0.244
 1084TIP3    H138832   3.891   3.020  -0.300
 1084TIP3    H238833   3.882   2.976  -0.155
 1084TIP3   OH238834   3.768   1.611  -0.298
 1084TIP3    H138835   3.781   1.686  -0.237
 1084TIP3    H238836   3.845   1.555  -0.277
 1084TIP3   OH238837   3.610   2.694  -0.388
 1084TIP3    H138838   3.682   2.747  -0.350
 1084TIP3    H238839   3.660   2.647  -0.457
 1084TIP3   OH238840   3.514   1.418   0.400
 1084TIP3    H138841   3.497   1.413   0.304
 1084TIP3    H238842   3.483   1.331   0.431
 1084TIP3   OH238843   3.405   2.767   0.029
 1084TIP3    H138844   3.327   2.820   0.052
 1084TIP3    H238845   3.443   2.819  -0.043
 1084TIP3   OH238846   3.346   3.059   1.142
 1084TIP3    H138847   3.403   3.030   1.216
 1084TIP3    H238848   3.307   2.974   1.114
 1084TIP3   OH238849   3.815   2.965   1.321
 1084TIP3    H138850   3.882   2.898   1.342
 1084TIP3    H238851   3.790   2.939   1.231
 1084TIP3   OH238852   4.231   2.888  -0.547
 1084TIP3    H138853   4.147   2.838  -0.545
 1084TIP3    H238854   4.293   2.814  -0.560
 1084TIP3   OH238855   3.341   2.422   1.255
 1084TIP3    H138856   3.350   2.331   1.221
 1084TIP3    H238857   3.264   2.452   1.204
 1085TIP3   OH238858   3.762   2.466  -0.543
 1085TIP3    H138859   3.781   2.405  -0.469
 1085TIP3    H238860   3.846   2.462  -0.591
 1085TIP3   OH238861   4.008   2.443   1.187
 1085TIP3    H138862   3.978   2.475   1.100
 1085TIP3    H238863   4.015   2.346   1.173
 1085TIP3   OH238864   4.262   2.596  -0.589
 1085TIP3    H138865   4.277   2.607  -0.493
 1085TIP3    H238866   4.243   2.501  -0.595
 1085TIP3   OH238867   3.428   2.136   1.172
 1085TIP3    H138868   3.500   2.071   1.173
 1085TIP3    H238869   3.422   2.157   1.266
 1085TIP3   OH238870   3.868   2.272  -0.314
 1085TIP3    H138871   3.812   2.221  -0.253
 1085TIP3    H238872   3.905   2.203  -0.373
 1085TIP3   OH238873   3.796   2.052   0.919
 1085TIP3    H138874   3.739   2.130   0.934
 1085TIP3    H238875   3.852   2.084   0.846
 1085TIP3   OH238876   3.977   2.074  -0.477
 1085TIP3    H138877   3.967   2.076  -0.574
 1085TIP3    H238878   4.074   2.083  -0.469
 1085TIP3   OH238879   4.284   2.299   1.287
 1085TIP3    H138880   4.354   2.267   1.229
 1085TIP3    H238881   4.267   2.217   1.338
 1085TIP3   OH238882   3.856   1.780   1.032
 1085TIP3    H138883   3.862   1.714   0.960
 1085TIP3    H238884   3.839   1.861   0.981
 1085TIP3   OH238885   3.886   1.624   0.774
 1085TIP3    H138886   3.937   1.681   0.712
 1085TIP3    H238887   3.795   1.628   0.738
 1086TIP3   OH238888   4.066   2.163   0.805
 1086TIP3    H138889   4.135   2.163   0.738
 1086TIP3    H238890   4.029   2.252   0.793
 1086TIP3   OH238891   3.676   1.960   1.212
 1086TIP3    H138892   3.621   1.880   1.208
 1086TIP3    H238893   3.754   1.932   1.162
 1086TIP3   OH238894   3.970   1.362   0.812
 1086TIP3    H138895   3.947   1.456   0.793
 1086TIP3    H238896   3.906   1.315   0.755
 1086TIP3   OH238897   4.102   1.807   1.185
 1086TIP3    H138898   4.064   1.782   1.270
 1086TIP3    H238899   4.029   1.785   1.125
 1086TIP3   OH238900   3.541   1.708   1.192
 1086TIP3    H138901   3.531   1.638   1.125
 1086TIP3    H238902   3.516   1.661   1.274
 1086TIP3   OH238903   3.945   1.307   1.093
 1086TIP3    H138904   4.006   1.233   1.095
 1086TIP3    H238905   3.940   1.324   0.997
 1086TIP3   OH238906   4.034   1.487   1.289
 1086TIP3    H138907   4.009   1.433   1.211
 1086TIP3    H238908   3.973   1.562   1.283
 1086TIP3   OH238909   3.957   3.191  -0.373
 1086TIP3    H138910   4.053   3.205  -0.368
 1086TIP3    H238911   3.935   3.244  -0.451
 1086TIP3   OH238912   3.334   2.636  -0.418
 1086TIP3    H138913   3.430   2.657  -0.408
 1086TIP3    H238914   3.336   2.559  -0.479
 1086TIP3   OH238915   3.232   3.156   0.053
 1086TIP3    H138916   3.161   3.118  -0.002
 1086TIP3    H238917   3.243   3.087   0.121
 1087TIP3   OH238918   3.272   2.958   0.251
 1087TIP3    H138919   3.243   2.871   0.283
 1087TIP3    H238920   3.307   2.994   0.334
 1087TIP3   OH238921   3.280   2.292   0.491
 1087TIP3    H138922   3.306   2.299   0.398
 1087TIP3    H238923   3.367   2.271   0.532
 1087TIP3   OH238924   3.273   1.829   1.134
 1087TIP3    H138925   3.366   1.800   1.134
 1087TIP3    H238926   3.227   1.743   1.138
 1087TIP3   OH238927   3.349   1.660   0.409
 1087TIP3    H138928   3.394   1.574   0.421
 1087TIP3    H238929   3.414   1.721   0.448
 1087TIP3   OH238930   3.205   1.928   0.518
 1087TIP3    H138931   3.260   1.926   0.438
 1087TIP3    H238932   3.240   2.007   0.563
 1087TIP3   OH238933   3.245   1.592  -0.090
 1087TIP3    H138934   3.151   1.570  -0.096
 1087TIP3    H238935   3.261   1.627  -0.179
 1087TIP3   OH238936   3.257   1.452   0.738
 1087TIP3    H138937   3.185   1.424   0.797
 1087TIP3    H238938   3.207   1.503   0.672
 1087TIP3   OH238939   3.456   2.761   1.205
 1087TIP3    H138940   3.384   2.757   1.140
 1087TIP3    H238941   3.408   2.756   1.289
 1087TIP3   OH238942   3.740   2.860   0.772
 1087TIP3    H138943   3.710   2.945   0.736
 1087TIP3    H238944   3.836   2.868   0.755
 1087TIP3   OH238945   4.219   3.022   1.061
 1087TIP3    H138946   4.205   2.985   1.150
 1087TIP3    H238947   4.314   3.044   1.067
 1088TIP3   OH238948   3.477   3.154   0.805
 1088TIP3    H138949   3.418   3.217   0.760
 1088TIP3    H238950   3.442   3.158   0.895
 1088TIP3   OH238951   3.729   3.132   0.662
 1088TIP3    H138952   3.644   3.152   0.706
 1088TIP3    H238953   3.733   3.201   0.593
 1088TIP3   OH238954   4.196   3.109   0.618
 1088TIP3    H138955   4.179   3.156   0.535
 1088TIP3    H238956   4.258   3.168   0.662
 1088TIP3   OH238957   3.434   3.033   0.499
 1088TIP3    H138958   3.434   2.984   0.585
 1088TIP3    H238959   3.511   2.990   0.455
 1088TIP3   OH238960   3.636   2.910   0.344
 1088TIP3    H138961   3.622   2.816   0.370
 1088TIP3    H238962   3.728   2.925   0.374
 1088TIP3   OH238963   3.912   2.957   0.432
 1088TIP3    H138964   3.934   2.866   0.409
 1088TIP3    H238965   3.921   2.955   0.529
 1088TIP3   OH238966   4.265   1.513   0.364
 1088TIP3    H138967   4.182   1.465   0.378
 1088TIP3    H238968   4.297   1.472   0.283
 1088TIP3   OH238969   3.481   1.412   0.113
 1088TIP3    H138970   3.394   1.394   0.073
 1088TIP3    H238971   3.523   1.324   0.104
 1088TIP3   OH238972   3.358   1.360  -0.290
 1088TIP3    H138973   3.407   1.424  -0.345
 1088TIP3    H238974   3.311   1.417  -0.228
 1088TIP3   OH238975   3.929   1.404   0.107
 1088TIP3    H138976   4.023   1.427   0.096
 1088TIP3    H238977   3.927   1.387   0.202
 1089TIP3   OH238978   3.379   2.961  -0.175
 1089TIP3    H138979   3.318   2.948  -0.250
 1089TIP3    H238980   3.380   3.057  -0.171
 1089TIP3   OH238981   3.529   1.559  -0.433
 1089TIP3    H138982   3.573   1.499  -0.496
 1089TIP3    H238983   3.605   1.578  -0.374
 1089TIP3   OH238984   4.067   1.568  -0.194
 1089TIP3    H138985   4.067   1.503  -0.122
 1089TIP3    H238986   4.062   1.652  -0.145
 1089TIP3   OH238987   4.266   3.121  -0.366
 1089TIP3    H138988   4.352   3.161  -0.387
 1089TIP3    H238989   4.247   3.068  -0.445
 1089TIP3   OH238990   3.460   1.440   1.073
 1089TIP3    H138991   3.420   1.358   1.106
 1089TIP3    H238992   3.553   1.426   1.096
 1089TIP3   OH238993   3.701   1.378   1.247
 1089TIP3    H138994   3.783   1.344   1.206
 1089TIP3    H238995   3.663   1.297   1.285
 1089TIP3   OH238996   3.520   3.051  -0.498
 1089TIP3    H138997   3.501   3.087  -0.410
 1089TIP3    H238998   3.601   2.999  -0.484
 1089TIP3   OH238999  -3.158   4.203   0.124
 1089TIP3    H139000  -3.188   4.295   0.128
 1089TIP3    H239001  -3.233   4.161   0.080
 1089TIP3   OH239002  -3.278   4.132   0.453
 1089TIP3    H139003  -3.275   4.080   0.535
 1089TIP3    H239004  -3.304   4.067   0.387
 1089TIP3   OH239005  -4.021   4.074   0.610
 1089TIP3    H139006  -4.033   4.006   0.678
 1089TIP3    H239007  -3.966   4.138   0.658
 1090TIP3   OH239008  -4.177   3.970  -0.076
 1090TIP3    H139009  -4.226   4.033  -0.019
 1090TIP3    H239010  -4.219   3.888  -0.049
 1090TIP3   OH239011  -4.198   4.127   0.174
 1090TIP3    H139012  -4.197   4.055   0.239
 1090TIP3    H239013  -4.103   4.139   0.161
 1090TIP3   OH239014  -2.553   3.522   0.569
 1090TIP3    H139015  -2.536   3.582   0.643
 1090TIP3    H239016  -2.495   3.559   0.501
 1090TIP3   OH239017  -3.095   3.803   0.560
 1090TIP3    H139018  -3.082   3.707   0.563
 1090TIP3    H239019  -3.105   3.818   0.465
 1090TIP3   OH239020  -3.798   3.605   0.266
 1090TIP3    H139021  -3.786   3.691   0.221
 1090TIP3    H239022  -3.834   3.552   0.192
 1090TIP3   OH239023  -3.014   3.622   0.098
 1090TIP3    H139024  -2.955   3.580   0.164
 1090TIP3    H239025  -2.949   3.668   0.043
 1090TIP3   OH239026  -4.142   3.880   0.319
 1090TIP3    H139027  -4.081   3.841   0.383
 1090TIP3    H239028  -4.123   3.827   0.240
 1090TIP3   OH239029  -3.589   4.018   0.264
 1090TIP3    H139030  -3.522   3.959   0.305
 1090TIP3    H239031  -3.645   3.953   0.217
 1090TIP3   OH239032  -2.489   3.657   0.819
 1090TIP3    H139033  -2.545   3.732   0.790
 1090TIP3    H239034  -2.501   3.662   0.915
 1090TIP3   OH239035  -3.919   3.487   0.684
 1090TIP3    H139036  -3.963   3.532   0.610
 1090TIP3    H239037  -3.982   3.505   0.756
 1091TIP3   OH239038  -3.647   4.267   0.663
 1091TIP3    H139039  -3.727   4.321   0.665
 1091TIP3    H239040  -3.581   4.336   0.651
 1091TIP3   OH239041  -2.829   3.545   0.302
 1091TIP3    H139042  -2.872   3.488   0.367
 1091TIP3    H239043  -2.780   3.607   0.359
 1091TIP3   OH239044  -3.957   3.690   0.475
 1091TIP3    H139045  -3.894   3.750   0.520
 1091TIP3    H239046  -3.899   3.654   0.404
 1091TIP3   OH239047  -2.816   3.461   0.685
 1091TIP3    H139048  -2.894   3.501   0.642
 1091TIP3    H239049  -2.745   3.480   0.621
 1091TIP3   OH239050  -3.505   3.233   0.392
 1091TIP3    H139051  -3.529   3.139   0.386
 1091TIP3    H239052  -3.588   3.272   0.428
 1091TIP3   OH239053  -3.308   4.143  -0.134
 1091TIP3    H139054  -3.373   4.178  -0.197
 1091TIP3    H239055  -3.231   4.134  -0.193
 1091TIP3   OH239056  -3.266   3.941  -0.415
 1091TIP3    H139057  -3.194   3.979  -0.363
 1091TIP3    H239058  -3.217   3.892  -0.483
 1091TIP3   OH239059  -2.551   4.056   0.695
 1091TIP3    H139060  -2.620   4.125   0.706
 1091TIP3    H239061  -2.501   4.094   0.619
 1091TIP3   OH239062  -2.935   4.140  -0.034
 1091TIP3    H139063  -3.001   4.163   0.035
 1091TIP3    H239064  -2.870   4.089   0.018
 1091TIP3   OH239065  -2.964   3.979   0.859
 1091TIP3    H139066  -2.958   4.055   0.919
 1091TIP3    H239067  -3.017   4.020   0.788
 1092TIP3   OH239068  -3.770   4.217   0.156
 1092TIP3    H139069  -3.800   4.183   0.070
 1092TIP3    H239070  -3.702   4.152   0.181
 1092TIP3   OH239071  -3.730   4.074   0.497
 1092TIP3    H139072  -3.669   4.077   0.420
 1092TIP3    H239073  -3.695   4.145   0.555
 1092TIP3   OH239074  -3.055   4.074  -0.269
 1092TIP3    H139075  -2.998   4.101  -0.194
 1092TIP3    H239076  -3.009   4.119  -0.345
 1092TIP3   OH239077  -3.958   4.142   0.898
 1092TIP3    H139078  -3.949   4.201   0.977
 1092TIP3    H239079  -4.046   4.170   0.868
 1092TIP3   OH239080  -2.705   3.246  -0.327
 1092TIP3    H139081  -2.792   3.256  -0.285
 1092TIP3    H239082  -2.670   3.336  -0.322
 1092TIP3   OH239083  -3.894   4.084  -0.092
 1092TIP3    H139084  -3.914   4.163  -0.147
 1092TIP3    H239085  -3.972   4.029  -0.109
 1092TIP3   OH239086  -4.201   4.276   0.779
 1092TIP3    H139087  -4.252   4.313   0.706
 1092TIP3    H239088  -4.268   4.244   0.841
 1092TIP3   OH239089  -2.771   3.834   1.096
 1092TIP3    H139090  -2.813   3.878   1.020
 1092TIP3    H239091  -2.761   3.743   1.063
 1092TIP3   OH239092  -3.748   3.348   0.482
 1092TIP3    H139093  -3.831   3.339   0.431
 1092TIP3    H239094  -3.771   3.422   0.540
 1092TIP3   OH239095  -3.311   3.306   0.848
 1092TIP3    H139096  -3.259   3.252   0.911
 1092TIP3    H239097  -3.401   3.272   0.859
 1093TIP3   OH239098  -2.994   3.685   0.898
 1093TIP3    H139099  -3.055   3.671   0.972
 1093TIP3    H239100  -3.000   3.781   0.881
 1093TIP3   OH239101  -2.915   4.175  -0.475
 1093TIP3    H139102  -2.921   4.159  -0.571
 1093TIP3    H239103  -2.827   4.215  -0.468
 1093TIP3   OH239104  -3.329   3.556  -0.426
 1093TIP3    H139105  -3.380   3.545  -0.345
 1093TIP3    H239106  -3.371   3.490  -0.483
 1093TIP3   OH239107  -3.759   3.827   0.626
 1093TIP3    H139108  -3.825   3.839   0.697
 1093TIP3    H239109  -3.755   3.917   0.587
 1093TIP3   OH239110  -3.769   3.833   0.111
 1093TIP3    H139111  -3.865   3.831   0.093
 1093TIP3    H239112  -3.735   3.818   0.021
 1093TIP3   OH239113  -3.207   3.898  -0.009
 1093TIP3    H139114  -3.253   3.975  -0.048
 1093TIP3    H239115  -3.140   3.879  -0.077
 1093TIP3   OH239116  -3.284   3.918   1.134
 1093TIP3    H139117  -3.337   3.842   1.165
 1093TIP3    H239118  -3.197   3.901   1.172
 1093TIP3   OH239119  -3.123   3.830   0.266
 1093TIP3    H139120  -3.151   3.886   0.190
 1093TIP3    H239121  -3.099   3.749   0.218
 1093TIP3   OH239122  -4.023   3.842   0.806
 1093TIP3    H139123  -3.999   3.885   0.889
 1093TIP3    H239124  -4.052   3.754   0.836
 1093TIP3   OH239125  -3.686   3.600  -0.534
 1093TIP3    H139126  -3.725   3.564  -0.452
 1093TIP3    H239127  -3.764   3.619  -0.588
 1094TIP3   OH239128  -4.318   3.602   0.174
 1094TIP3    H139129  -4.305   3.575   0.267
 1094TIP3    H239130  -4.282   3.528   0.125
 1094TIP3   OH239131  -4.213   3.660  -0.239
 1094TIP3    H139132  -4.152   3.677  -0.312
 1094TIP3    H239133  -4.298   3.685  -0.280
 1094TIP3   OH239134  -3.226   3.996   0.708
 1094TIP3    H139135  -3.170   3.931   0.661
 1094TIP3    H239136  -3.250   3.947   0.788
 1094TIP3   OH239137  -3.490   3.593   0.215
 1094TIP3    H139138  -3.585   3.591   0.237
 1094TIP3    H239139  -3.450   3.576   0.302
 1094TIP3   OH239140  -4.038   3.718   0.079
 1094TIP3    H139141  -4.120   3.726   0.030
 1094TIP3    H239142  -4.001   3.635   0.042
 1094TIP3   OH239143  -3.671   3.747  -0.152
 1094TIP3    H139144  -3.574   3.760  -0.147
 1094TIP3    H239145  -3.698   3.810  -0.222
 1094TIP3   OH239146  -3.051   3.507   0.516
 1094TIP3    H139147  -3.115   3.508   0.590
 1094TIP3    H239148  -3.109   3.473   0.445
 1094TIP3   OH239149  -3.825   3.875  -0.374
 1094TIP3    H139150  -3.883   3.845  -0.445
 1094TIP3    H239151  -3.743   3.896  -0.422
 1094TIP3   OH239152  -3.956   4.305   1.113
 1094TIP3    H139153  -3.889   4.356   1.163
 1094TIP3    H239154  -4.035   4.322   1.168
 1094TIP3   OH239155  -3.391   3.848   0.396
 1094TIP3    H139156  -3.314   3.808   0.352
 1094TIP3    H239157  -3.404   3.789   0.472
 1095TIP3   OH239158  -3.873   3.484   0.022
 1095TIP3    H139159  -3.917   3.398   0.025
 1095TIP3    H239160  -3.792   3.463  -0.028
 1095TIP3   OH239161  -3.492   3.694   0.621
 1095TIP3    H139162  -3.570   3.753   0.621
 1095TIP3    H239163  -3.443   3.721   0.701
 1095TIP3   OH239164  -3.524   4.366  -0.162
 1095TIP3    H139165  -3.560   4.300  -0.225
 1095TIP3    H239166  -3.467   4.315  -0.104
 1095TIP3   OH239167  -2.727   4.265   0.676
 1095TIP3    H139168  -2.706   4.313   0.594
 1095TIP3    H239169  -2.823   4.255   0.663
 1095TIP3   OH239170  -3.061   3.616  -0.413
 1095TIP3    H139171  -3.160   3.614  -0.417
 1095TIP3    H239172  -3.043   3.689  -0.350
 1095TIP3   OH239173  -2.994   3.798  -0.204
 1095TIP3    H139174  -2.905   3.782  -0.167
 1095TIP3    H239175  -2.984   3.885  -0.246
 1095TIP3   OH239176  -3.971   4.217   0.345
 1095TIP3    H139177  -3.885   4.233   0.302
 1095TIP3    H239178  -3.947   4.165   0.423
 1095TIP3   OH239179  -4.289   4.107   0.971
 1095TIP3    H139180  -4.234   4.048   1.026
 1095TIP3    H239181  -4.299   4.056   0.888
 1095TIP3   OH239182  -3.542   4.046   1.122
 1095TIP3    H139183  -3.577   4.028   1.033
 1095TIP3    H239184  -3.447   4.030   1.108
 1095TIP3   OH239185  -2.535   3.798  -0.232
 1095TIP3    H139186  -2.590   3.779  -0.311
 1095TIP3    H239187  -2.523   3.894  -0.247
 1096TIP3   OH239188  -2.989   4.179   0.547
 1096TIP3    H139189  -3.080   4.183   0.512
 1096TIP3    H239190  -2.941   4.136   0.475
 1096TIP3   OH239191  -4.174   4.096  -0.412
 1096TIP3    H139192  -4.095   4.134  -0.372
 1096TIP3    H239193  -4.238   4.167  -0.393
 1096TIP3   OH239194  -4.102   3.575   0.889
 1096TIP3    H139195  -4.187   3.609   0.854
 1096TIP3    H239196  -4.125   3.486   0.923
 1096TIP3   OH239197  -3.958  -4.392  -0.247
 1096TIP3    H139198  -4.051  -4.360  -0.242
 1096TIP3    H239199  -3.912  -4.309  -0.269
 1096TIP3   OH239200  -3.210   3.549   0.736
 1096TIP3    H139201  -3.148   3.576   0.805
 1096TIP3    H239202  -3.259   3.476   0.778
 1096TIP3   OH239203  -3.145   3.492  -0.138
 1096TIP3    H139204  -3.130   3.545  -0.218
 1096TIP3    H239205  -3.101   3.544  -0.069
 1096TIP3   OH239206  -3.403   3.691  -0.043
 1096TIP3    H139207  -3.328   3.752  -0.028
 1096TIP3    H239208  -3.434   3.676   0.048
 1096TIP3   OH239209  -3.369   3.789   0.875
 1096TIP3    H139210  -3.359   3.841   0.956
 1096TIP3    H239211  -3.315   3.711   0.895
 1096TIP3   OH239212  -3.346   3.393   0.052
 1096TIP3    H139213  -3.367   3.464   0.116
 1096TIP3    H239214  -3.273   3.435   0.000
 1096TIP3   OH239215  -3.774   3.494  -0.290
 1096TIP3    H139216  -3.765   3.576  -0.238
 1096TIP3    H239217  -3.692   3.447  -0.267
 1097TIP3   OH239218  -2.742   3.584   0.963
 1097TIP3    H139219  -2.837   3.599   0.943
 1097TIP3    H239220  -2.712   3.564   0.873
 1097TIP3   OH239221  -2.886   3.965   0.355
 1097TIP3    H139222  -2.972   3.923   0.337
 1097TIP3    H239223  -2.841   3.898   0.410
 1097TIP3   OH239224  -4.114   3.799  -0.480
 1097TIP3    H139225  -4.112   3.891  -0.449
 1097TIP3    H239226  -4.203   3.789  -0.516
 1097TIP3   OH239227  -4.025   3.294   0.397
 1097TIP3    H139228  -4.058   3.293   0.305
 1097TIP3    H239229  -4.069   3.216   0.435
 1097TIP3   OH239230  -4.198   4.346   1.223
 1097TIP3    H139231  -4.195   4.249   1.222
 1097TIP3    H239232  -4.293   4.362   1.239
 1097TIP3   OH239233  -3.588   4.328   1.159
 1097TIP3    H139234  -3.585   4.347   1.063
 1097TIP3    H239235  -3.550   4.238   1.163
 1097TIP3   OH239236  -2.984  -4.377   0.933
 1097TIP3    H139237  -2.903  -4.332   0.904
 1097TIP3    H239238  -3.051  -4.310   0.915
 1097TIP3   OH239239  -4.132   4.017   1.187
 1097TIP3    H139240  -4.050   3.966   1.176
 1097TIP3    H239241  -4.128   4.040   1.281
 1097TIP3   OH239242  -3.659   4.160  -0.312
 1097TIP3    H139243  -3.729   4.122  -0.257
 1097TIP3    H239244  -3.647   4.092  -0.380
 1097TIP3   OH239245  -3.747   3.934   0.922
 1097TIP3    H139246  -3.807   4.010   0.934
 1097TIP3    H239247  -3.686   3.968   0.854
 1098TIP3   OH239248  -3.579   3.956  -0.488
 1098TIP3    H139249  -3.581   3.972  -0.585
 1098TIP3    H239250  -3.483   3.957  -0.471
 1098TIP3   OH239251  -3.221   4.215   1.271
 1098TIP3    H139252  -3.132   4.199   1.238
 1098TIP3    H239253  -3.250   4.128   1.299
 1098TIP3   OH239254  -2.648   4.189  -0.566
 1098TIP3    H139255  -2.659   4.185  -0.662
 1098TIP3    H239256  -2.645   4.285  -0.547
 1098TIP3   OH239257  -3.690   3.663   1.030
 1098TIP3    H139258  -3.684   3.598   0.958
 1098TIP3    H239259  -3.711   3.744   0.981
 1098TIP3   OH239260  -3.657   3.510   0.775
 1098TIP3    H139261  -3.605   3.563   0.711
 1098TIP3    H239262  -3.747   3.514   0.738
 1098TIP3   OH239263  -3.505   4.067   0.807
 1098TIP3    H139264  -3.421   4.056   0.758
 1098TIP3    H239265  -3.542   4.147   0.765
 1098TIP3   OH239266  -3.038   3.827   1.308
 1098TIP3    H139267  -3.005   3.741   1.282
 1098TIP3    H239268  -2.958   3.881   1.301
 1098TIP3   OH239269  -2.951   4.131   1.125
 1098TIP3    H139270  -2.971   4.206   1.064
 1098TIP3    H239271  -2.856   4.120   1.107
 1098TIP3   OH239272  -3.878   3.852   1.212
 1098TIP3    H139273  -3.930   3.769   1.206
 1098TIP3    H239274  -3.799   3.829   1.161
 1098TIP3   OH239275  -3.586   3.243   0.811
 1098TIP3    H139276  -3.603   3.338   0.793
 1098TIP3    H239277  -3.655   3.201   0.756
 1099TIP3   OH239278  -3.457   3.697   1.188
 1099TIP3    H139279  -3.498   3.685   1.275
 1099TIP3    H239280  -3.535   3.682   1.130
 1099TIP3   OH239281  -3.204   3.605   1.076
 1099TIP3    H139282  -3.293   3.612   1.114
 1099TIP3    H239283  -3.159   3.546   1.139
 1099TIP3   OH239284  -3.027   3.469   1.272
 1099TIP3    H139285  -3.035   3.371   1.270
 1099TIP3    H239286  -3.046   3.490   1.365
 1099TIP3   OH239287  -4.010   3.598   1.192
 1099TIP3    H139288  -4.017   3.527   1.126
 1099TIP3    H239289  -4.033   3.551   1.275
 1099TIP3   OH239290  -3.599   3.192   1.091
 1099TIP3    H139291  -3.541   3.115   1.093
 1099TIP3    H239292  -3.605   3.207   0.994
 1099TIP3   OH239293  -3.510   3.376   1.281
 1099TIP3    H139294  -3.534   3.318   1.206
 1099TIP3    H239295  -3.576   3.447   1.275
 1099TIP3   OH239296  -2.569   4.361  -0.123
 1099TIP3    H139297  -2.474   4.364  -0.142
 1099TIP3    H239298  -2.583   4.275  -0.081
 1099TIP3   OH239299  -2.526   4.127   0.041
 1099TIP3    H139300  -2.609   4.088   0.076
 1099TIP3    H239301  -2.482   4.157   0.122
 1099TIP3   OH239302  -2.514   4.093  -0.308
 1099TIP3    H139303  -2.576   4.115  -0.380
 1099TIP3    H239304  -2.526   4.169  -0.250
 1099TIP3   OH239305  -2.685   3.842  -0.475
 1099TIP3    H139306  -2.666   3.907  -0.545
 1099TIP3    H239307  -2.709   3.763  -0.526
 1100TIP3   OH239308  -2.756   3.966   0.113
 1100TIP3    H139309  -2.759   3.870   0.099
 1100TIP3    H239310  -2.793   3.974   0.204
 1100TIP3   OH239311  -4.249   4.209   0.499
 1100TIP3    H139312  -4.229   4.185   0.407
 1100TIP3    H239313  -4.177   4.166   0.549
 1100TIP3   OH239314  -2.655   4.151   1.005
 1100TIP3    H139315  -2.600   4.103   1.069
 1100TIP3    H239316  -2.635   4.245   1.023
 1100TIP3   OH239317  -2.537   3.969   1.165
 1100TIP3    H139318  -2.607   3.909   1.133
 1100TIP3    H239319  -2.460   3.910   1.169
 1100TIP3   OH239320  -2.740   3.578  -0.557
 1100TIP3    H139321  -2.683   3.529  -0.495
 1100TIP3    H239322  -2.821   3.525  -0.561
 1100TIP3   OH239323  -2.757   3.706  -0.059
 1100TIP3    H139324  -2.734   3.611  -0.056
 1100TIP3    H239325  -2.678   3.743  -0.101
 1100TIP3   OH239326  -2.737   3.764   0.483
 1100TIP3    H139327  -2.640   3.779   0.482
 1100TIP3    H239328  -2.753   3.772   0.579
 1100TIP3   OH239329  -2.720   3.838   0.765
 1100TIP3    H139330  -2.806   3.877   0.789
 1100TIP3    H239331  -2.667   3.918   0.745
 1100TIP3   OH239332  -4.287   3.709   1.126
 1100TIP3    H139333  -4.200   3.666   1.120
 1100TIP3    H239334  -4.347   3.635   1.143
 1100TIP3   OH239335  -2.467   3.249   1.293
 1100TIP3    H139336  -2.422   3.181   1.238
 1100TIP3    H239337  -2.462   3.327   1.236
 1101TIP3   OH239338  -2.712   3.427  -0.064
 1101TIP3    H139339  -2.702   3.394   0.027
 1101TIP3    H239340  -2.792   3.378  -0.093
 1101TIP3   OH239341  -4.196   3.554   0.449
 1101TIP3    H139342  -4.158   3.465   0.439
 1101TIP3    H239343  -4.116   3.609   0.460
 1101TIP3   OH239344  -4.328   3.817   0.530
 1101TIP3    H139345  -4.295   3.767   0.454
 1101TIP3    H239346  -4.311   3.908   0.501
 1101TIP3   OH239347  -2.527   3.455   1.120
 1101TIP3    H139348  -2.613   3.500   1.122
 1101TIP3    H239349  -2.538   3.402   1.039
 1101TIP3   OH239350  -2.516   3.475  -0.396
 1101TIP3    H139351  -2.484   3.395  -0.442
 1101TIP3    H239352  -2.436   3.528  -0.389
 1101TIP3   OH239353  -4.316   3.431  -0.122
 1101TIP3    H139354  -4.400   3.457  -0.164
 1101TIP3    H239355  -4.258   3.503  -0.155
 1101TIP3   OH239356  -4.291   3.328   0.715
 1101TIP3    H139357  -4.360   3.319   0.785
 1101TIP3    H239358  -4.335   3.374   0.642
 1101TIP3   OH239359  -2.641   3.279   0.917
 1101TIP3    H139360  -2.720   3.301   0.863
 1101TIP3    H239361  -2.618   3.190   0.883
 1101TIP3   OH239362  -3.296   3.429   0.365
 1101TIP3    H139363  -3.366   3.362   0.377
 1101TIP3    H239364  -3.238   3.384   0.301
 1101TIP3   OH239365  -2.802   3.232   0.409
 1101TIP3    H139366  -2.726   3.276   0.368
 1101TIP3    H239367  -2.876   3.261   0.354
 1102TIP3   OH239368  -2.594   3.342   0.195
 1102TIP3    H139369  -2.522   3.301   0.144
 1102TIP3    H239370  -2.562   3.434   0.204
 1102TIP3   OH239371  -4.106   3.287   0.117
 1102TIP3    H139372  -4.180   3.261   0.060
 1102TIP3    H239373  -4.046   3.212   0.105
 1102TIP3   OH239374  -4.180   3.249  -0.302
 1102TIP3    H139375  -4.131   3.316  -0.353
 1102TIP3    H239376  -4.234   3.305  -0.244
 1102TIP3   OH239377  -3.614   3.282   0.106
 1102TIP3    H139378  -3.523   3.314   0.092
 1102TIP3    H239379  -3.617   3.275   0.202
 1102TIP3   OH239380  -3.054   3.288   0.247
 1102TIP3    H139381  -3.030   3.272   0.155
 1102TIP3    H239382  -3.094   3.202   0.272
 1102TIP3   OH239383  -2.944   3.288  -0.154
 1102TIP3    H139384  -3.026   3.340  -0.167
 1102TIP3    H239385  -2.980   3.198  -0.142
 1102TIP3   OH239386  -4.006   3.437  -0.448
 1102TIP3    H139387  -3.949   3.380  -0.501
 1102TIP3    H239388  -3.944   3.466  -0.379
 1102TIP3   OH239389  -3.499   3.451  -0.189
 1102TIP3    H139390  -3.465   3.394  -0.119
 1102TIP3    H239391  -3.479   3.538  -0.152
 1102TIP3   OH239392  -4.080   3.327   1.069
 1102TIP3    H139393  -4.125   3.251   1.109
 1102TIP3    H239394  -3.988   3.312   1.097
 1102TIP3   OH239395  -3.841   3.265   1.248
 1102TIP3    H139396  -3.761   3.228   1.205
 1102TIP3    H239397  -3.879   3.185   1.289
 1103TIP3   OH239398  -3.029   3.186   1.267
 1103TIP3    H139399  -3.022   3.139   1.352
 1103TIP3    H239400  -2.938   3.179   1.234
 1103TIP3   OH239401  -1.275   4.201   0.128
 1103TIP3    H139402  -1.302   4.294   0.129
 1103TIP3    H239403  -1.346   4.162   0.075
 1103TIP3   OH239404  -1.413   4.133   0.457
 1103TIP3    H139405  -1.389   4.081   0.535
 1103TIP3    H239406  -1.413   4.068   0.386
 1103TIP3   OH239407  -2.083   4.060   0.598
 1103TIP3    H139408  -2.119   3.999   0.665
 1103TIP3    H239409  -2.061   4.135   0.656
 1103TIP3   OH239410  -2.378   3.889   0.012
 1103TIP3    H139411  -2.427   3.974   0.013
 1103TIP3    H239412  -2.443   3.831  -0.030
 1103TIP3   OH239413  -2.260   4.139   0.210
 1103TIP3    H139414  -2.279   4.052   0.251
 1103TIP3    H239415  -2.210   4.111   0.133
 1103TIP3   OH239416  -0.675   3.523   0.571
 1103TIP3    H139417  -0.650   3.584   0.643
 1103TIP3    H239418  -0.613   3.551   0.502
 1103TIP3   OH239419  -1.212   3.804   0.558
 1103TIP3    H139420  -1.196   3.708   0.564
 1103TIP3    H239421  -1.222   3.816   0.462
 1103TIP3   OH239422  -1.917   3.611   0.275
 1103TIP3    H139423  -1.901   3.689   0.218
 1103TIP3    H239424  -1.952   3.549   0.207
 1103TIP3   OH239425  -1.128   3.624   0.102
 1103TIP3    H139426  -1.068   3.582   0.167
 1103TIP3    H239427  -1.064   3.668   0.044
 1104TIP3   OH239428  -2.226   3.878   0.318
 1104TIP3    H139429  -2.186   3.815   0.380
 1104TIP3    H239430  -2.227   3.826   0.236
 1104TIP3   OH239431  -0.600   3.661   0.821
 1104TIP3    H139432  -0.660   3.732   0.791
 1104TIP3    H239433  -0.624   3.656   0.914
 1104TIP3   OH239434  -2.032   3.485   0.683
 1104TIP3    H139435  -2.073   3.538   0.614
 1104TIP3    H239436  -2.098   3.496   0.755
 1104TIP3   OH239437  -1.795   4.262   0.650
 1104TIP3    H139438  -1.870   4.323   0.637
 1104TIP3    H239439  -1.722   4.323   0.639
 1104TIP3   OH239440  -0.947   3.543   0.303
 1104TIP3    H139441  -0.984   3.485   0.371
 1104TIP3    H239442  -0.893   3.603   0.356
 1104TIP3   OH239443  -2.053   3.704   0.492
 1104TIP3    H139444  -1.989   3.750   0.548
 1104TIP3    H239445  -1.997   3.665   0.421
 1104TIP3   OH239446  -0.932   3.461   0.687
 1104TIP3    H139447  -1.009   3.500   0.642
 1104TIP3    H239448  -0.859   3.480   0.625
 1104TIP3   OH239449  -1.620   3.225   0.392
 1104TIP3    H139450  -1.642   3.130   0.393
 1104TIP3    H239451  -1.701   3.264   0.429
 1104TIP3   OH239452  -1.421   4.144  -0.133
 1104TIP3    H139453  -1.488   4.176  -0.195
 1104TIP3    H239454  -1.345   4.133  -0.193
 1104TIP3   OH239455  -1.381   3.941  -0.415
 1104TIP3    H139456  -1.308   3.979  -0.364
 1104TIP3    H239457  -1.333   3.892  -0.483
 1105TIP3   OH239458  -0.669   4.056   0.691
 1105TIP3    H139459  -0.735   4.127   0.702
 1105TIP3    H239460  -0.618   4.094   0.616
 1105TIP3   OH239461  -1.051   4.139  -0.033
 1105TIP3    H139462  -1.115   4.162   0.036
 1105TIP3    H239463  -0.984   4.089   0.017
 1105TIP3   OH239464  -1.078   3.981   0.859
 1105TIP3    H139465  -1.075   4.057   0.919
 1105TIP3    H239466  -1.131   4.019   0.788
 1105TIP3   OH239467  -1.883   4.158   0.179
 1105TIP3    H139468  -1.912   4.185   0.090
 1105TIP3    H239469  -1.796   4.124   0.156
 1105TIP3   OH239470  -1.171   4.075  -0.269
 1105TIP3    H139471  -1.112   4.101  -0.194
 1105TIP3    H239472  -1.124   4.119  -0.345
 1105TIP3   OH239473  -2.062   4.149   0.886
 1105TIP3    H139474  -2.051   4.214   0.959
 1105TIP3    H239475  -2.159   4.138   0.892
 1105TIP3   OH239476  -0.818   3.246  -0.329
 1105TIP3    H139477  -0.903   3.252  -0.282
 1105TIP3    H239478  -0.783   3.336  -0.318
 1105TIP3   OH239479  -2.018   4.089  -0.078
 1105TIP3    H139480  -2.024   4.165  -0.140
 1105TIP3    H239481  -2.068   4.021  -0.125
 1105TIP3   OH239482  -2.364   4.306   0.775
 1105TIP3    H139483  -2.432   4.299   0.707
 1105TIP3    H239484  -2.379   4.228   0.831
 1105TIP3   OH239485  -0.879   3.838   1.093
 1105TIP3    H139486  -0.929   3.875   1.019
 1105TIP3    H239487  -0.873   3.744   1.066
 1106TIP3   OH239488  -1.863   3.342   0.489
 1106TIP3    H139489  -1.944   3.329   0.438
 1106TIP3    H239490  -1.892   3.411   0.550
 1106TIP3   OH239491  -1.427   3.308   0.848
 1106TIP3    H139492  -1.374   3.252   0.909
 1106TIP3    H239493  -1.517   3.271   0.859
 1106TIP3   OH239494  -1.110   3.685   0.896
 1106TIP3    H139495  -1.170   3.669   0.971
 1106TIP3    H239496  -1.117   3.781   0.882
 1106TIP3   OH239497  -1.030   4.174  -0.475
 1106TIP3    H139498  -1.036   4.159  -0.571
 1106TIP3    H239499  -0.942   4.216  -0.468
 1106TIP3   OH239500  -1.444   3.557  -0.427
 1106TIP3    H139501  -1.493   3.543  -0.344
 1106TIP3    H239502  -1.484   3.488  -0.483
 1106TIP3   OH239503  -1.876   3.854   0.141
 1106TIP3    H139504  -1.967   3.848   0.105
 1106TIP3    H239505  -1.826   3.841   0.058
 1106TIP3   OH239506  -1.321   3.899  -0.009
 1106TIP3    H139507  -1.366   3.975  -0.050
 1106TIP3    H239508  -1.253   3.878  -0.075
 1106TIP3   OH239509  -1.403   3.921   1.130
 1106TIP3    H139510  -1.452   3.843   1.163
 1106TIP3    H239511  -1.314   3.904   1.168
 1106TIP3   OH239512  -1.246   3.833   0.269
 1106TIP3    H139513  -1.269   3.886   0.190
 1106TIP3    H239514  -1.220   3.750   0.224
 1106TIP3   OH239515  -2.138   3.839   0.791
 1106TIP3    H139516  -2.113   3.882   0.873
 1106TIP3    H239517  -2.169   3.753   0.823
 1107TIP3   OH239518  -1.800   3.603  -0.535
 1107TIP3    H139519  -1.838   3.566  -0.453
 1107TIP3    H239520  -1.879   3.618  -0.590
 1107TIP3   OH239521  -2.450   3.594   0.173
 1107TIP3    H139522  -2.388   3.587   0.247
 1107TIP3    H239523  -2.404   3.550   0.100
 1107TIP3   OH239524  -2.298   3.633  -0.257
 1107TIP3    H139525  -2.244   3.681  -0.324
 1107TIP3    H239526  -2.368   3.699  -0.241
 1107TIP3   OH239527  -1.340   3.997   0.709
 1107TIP3    H139528  -1.285   3.930   0.662
 1107TIP3    H239529  -1.365   3.947   0.789
 1107TIP3   OH239530  -1.608   3.593   0.213
 1107TIP3    H139531  -1.702   3.582   0.236
 1107TIP3    H239532  -1.564   3.572   0.297
 1107TIP3   OH239533  -2.142   3.724   0.082
 1107TIP3    H139534  -2.224   3.747   0.034
 1107TIP3    H239535  -2.110   3.645   0.034
 1107TIP3   OH239536  -1.787   3.760  -0.140
 1107TIP3    H139537  -1.690   3.757  -0.145
 1107TIP3    H239538  -1.813   3.808  -0.221
 1107TIP3   OH239539  -1.167   3.508   0.516
 1107TIP3    H139540  -1.231   3.507   0.590
 1107TIP3    H239541  -1.224   3.474   0.445
 1107TIP3   OH239542  -1.939   3.874  -0.371
 1107TIP3    H139543  -1.997   3.845  -0.443
 1107TIP3    H239544  -1.858   3.898  -0.420
 1107TIP3   OH239545  -2.071   4.325   1.090
 1107TIP3    H139546  -2.010   4.366   1.154
 1107TIP3    H239547  -2.134   4.280   1.151
 1108TIP3   OH239548  -1.532   3.867   0.378
 1108TIP3    H139549  -1.455   3.828   0.334
 1108TIP3    H239550  -1.540   3.813   0.458
 1108TIP3   OH239551  -1.973   3.490   0.018
 1108TIP3    H139552  -2.028   3.411   0.030
 1108TIP3    H239553  -1.893   3.454  -0.023
 1108TIP3   OH239554  -1.647   3.731   0.627
 1108TIP3    H139555  -1.715   3.773   0.680
 1108TIP3    H239556  -1.572   3.737   0.689
 1108TIP3   OH239557  -1.649   4.361  -0.157
 1108TIP3    H139558  -1.666   4.304  -0.234
 1108TIP3    H239559  -1.572   4.325  -0.112
 1108TIP3   OH239560  -0.844   4.266   0.678
 1108TIP3    H139561  -0.819   4.312   0.596
 1108TIP3    H239562  -0.939   4.256   0.660
 1108TIP3   OH239563  -1.176   3.615  -0.412
 1108TIP3    H139564  -1.275   3.614  -0.416
 1108TIP3    H239565  -1.158   3.689  -0.350
 1108TIP3   OH239566  -1.109   3.798  -0.203
 1108TIP3    H139567  -1.020   3.782  -0.166
 1108TIP3    H239568  -1.097   3.885  -0.247
 1108TIP3   OH239569  -2.007   4.245   0.403
 1108TIP3    H139570  -1.980   4.239   0.308
 1108TIP3    H239571  -2.076   4.179   0.413
 1108TIP3   OH239572  -2.340   4.073   0.929
 1108TIP3    H139573  -2.343   4.056   1.025
 1108TIP3    H239574  -2.421   4.031   0.896
 1108TIP3   OH239575  -1.657   4.052   1.116
 1108TIP3    H139576  -1.691   4.025   1.029
 1108TIP3    H239577  -1.563   4.027   1.110
 1109TIP3   OH239578  -0.650   3.798  -0.232
 1109TIP3    H139579  -0.705   3.779  -0.311
 1109TIP3    H239580  -0.637   3.893  -0.247
 1109TIP3   OH239581  -1.103   4.178   0.548
 1109TIP3    H139582  -1.192   4.185   0.512
 1109TIP3    H239583  -1.053   4.136   0.476
 1109TIP3   OH239584  -2.248   4.094  -0.427
 1109TIP3    H139585  -2.188   4.155  -0.381
 1109TIP3    H239586  -2.333   4.113  -0.383
 1109TIP3   OH239587  -2.221   3.563   0.880
 1109TIP3    H139588  -2.311   3.590   0.856
 1109TIP3    H239589  -2.237   3.477   0.923
 1109TIP3   OH239590  -2.072  -4.388  -0.241
 1109TIP3    H139591  -2.162  -4.352  -0.230
 1109TIP3    H239592  -2.024  -4.308  -0.268
 1109TIP3   OH239593  -1.333   3.550   0.734
 1109TIP3    H139594  -1.268   3.579   0.801
 1109TIP3    H239595  -1.376   3.473   0.777
 1109TIP3   OH239596  -1.263   3.495  -0.138
 1109TIP3    H139597  -1.244   3.544  -0.219
 1109TIP3    H239598  -1.213   3.543  -0.071
 1109TIP3   OH239599  -1.520   3.692  -0.045
 1109TIP3    H139600  -1.443   3.750  -0.030
 1109TIP3    H239601  -1.550   3.675   0.047
 1109TIP3   OH239602  -1.484   3.792   0.870
 1109TIP3    H139603  -1.480   3.837   0.955
 1109TIP3    H239604  -1.436   3.710   0.889
 1109TIP3   OH239605  -1.457   3.397   0.052
 1109TIP3    H139606  -1.481   3.467   0.115
 1109TIP3    H239607  -1.386   3.441  -0.000
 1110TIP3   OH239608  -1.888   3.495  -0.296
 1110TIP3    H139609  -1.887   3.571  -0.235
 1110TIP3    H239610  -1.806   3.449  -0.268
 1110TIP3   OH239611  -0.855   3.585   0.961
 1110TIP3    H139612  -0.951   3.595   0.946
 1110TIP3    H239613  -0.830   3.562   0.870
 1110TIP3   OH239614  -1.004   3.966   0.355
 1110TIP3    H139615  -1.088   3.921   0.338
 1110TIP3    H239616  -0.956   3.900   0.409
 1110TIP3   OH239617  -2.236   3.800  -0.474
 1110TIP3    H139618  -2.221   3.895  -0.459
 1110TIP3    H239619  -2.319   3.801  -0.524
 1110TIP3   OH239620  -2.142   3.306   0.401
 1110TIP3    H139621  -2.160   3.303   0.305
 1110TIP3    H239622  -2.175   3.220   0.431
 1110TIP3   OH239623  -1.694   4.329   1.156
 1110TIP3    H139624  -1.694   4.341   1.060
 1110TIP3    H239625  -1.666   4.235   1.163
 1110TIP3   OH239626  -1.099  -4.376   0.933
 1110TIP3    H139627  -1.021  -4.331   0.899
 1110TIP3    H239628  -1.168  -4.312   0.913
 1110TIP3   OH239629  -1.781   4.160  -0.319
 1110TIP3    H139630  -1.839   4.115  -0.258
 1110TIP3    H239631  -1.762   4.091  -0.385
 1110TIP3   OH239632  -1.849   3.926   0.896
 1110TIP3    H139633  -1.912   3.990   0.933
 1110TIP3    H239634  -1.789   3.984   0.845
 1110TIP3   OH239635  -1.693   3.957  -0.487
 1110TIP3    H139636  -1.696   3.971  -0.584
 1110TIP3    H239637  -1.597   3.956  -0.471
 1111TIP3   OH239638  -1.331   4.216   1.274
 1111TIP3    H139639  -1.245   4.194   1.236
 1111TIP3    H239640  -1.367   4.130   1.298
 1111TIP3   OH239641  -0.762   4.189  -0.565
 1111TIP3    H139642  -0.771   4.185  -0.662
 1111TIP3    H239643  -0.760   4.285  -0.546
 1111TIP3   OH239644  -1.804   3.663   1.030
 1111TIP3    H139645  -1.797   3.597   0.959
 1111TIP3    H239646  -1.827   3.743   0.980
 1111TIP3   OH239647  -1.773   3.513   0.773
 1111TIP3    H139648  -1.723   3.559   0.703
 1111TIP3    H239649  -1.864   3.510   0.739
 1111TIP3   OH239650  -1.623   4.068   0.797
 1111TIP3    H139651  -1.533   4.059   0.759
 1111TIP3    H239652  -1.648   4.157   0.771
 1111TIP3   OH239653  -1.157   3.849   1.293
 1111TIP3    H139654  -1.138   3.755   1.305
 1111TIP3    H239655  -1.067   3.886   1.288
 1111TIP3   OH239656  -1.062   4.137   1.128
 1111TIP3    H139657  -1.085   4.209   1.065
 1111TIP3    H239658  -0.972   4.117   1.099
 1111TIP3   OH239659  -1.967   3.859   1.203
 1111TIP3    H139660  -2.045   3.802   1.206
 1111TIP3    H239661  -1.900   3.802   1.164
 1111TIP3   OH239662  -1.701   3.245   0.813
 1111TIP3    H139663  -1.722   3.339   0.797
 1111TIP3    H239664  -1.772   3.199   0.764
 1111TIP3   OH239665  -1.572   3.702   1.187
 1111TIP3    H139666  -1.606   3.681   1.276
 1111TIP3    H239667  -1.652   3.681   1.134
 1112TIP3   OH239668  -1.319   3.607   1.075
 1112TIP3    H139669  -1.408   3.612   1.117
 1112TIP3    H239670  -1.274   3.542   1.132
 1112TIP3   OH239671  -1.133   3.454   1.248
 1112TIP3    H139672  -1.150   3.359   1.262
 1112TIP3    H239673  -1.153   3.494   1.334
 1112TIP3   OH239674  -2.122   3.595   1.197
 1112TIP3    H139675  -2.126   3.526   1.129
 1112TIP3    H239676  -2.142   3.544   1.278
 1112TIP3   OH239677  -1.698   3.182   1.094
 1112TIP3    H139678  -1.639   3.105   1.092
 1112TIP3    H239679  -1.708   3.197   0.998
 1112TIP3   OH239680  -1.621   3.379   1.278
 1112TIP3    H139681  -1.646   3.317   1.207
 1112TIP3    H239682  -1.692   3.445   1.276
 1112TIP3   OH239683  -0.684   4.359  -0.126
 1112TIP3    H139684  -0.588   4.365  -0.139
 1112TIP3    H239685  -0.696   4.276  -0.078
 1112TIP3   OH239686  -0.645   4.130   0.038
 1112TIP3    H139687  -0.723   4.088   0.079
 1112TIP3    H239688  -0.589   4.152   0.115
 1112TIP3   OH239689  -0.627   4.094  -0.309
 1112TIP3    H139690  -0.690   4.116  -0.380
 1112TIP3    H239691  -0.641   4.168  -0.248
 1112TIP3   OH239692  -0.800   3.842  -0.475
 1112TIP3    H139693  -0.780   3.907  -0.545
 1112TIP3    H239694  -0.824   3.762  -0.525
 1112TIP3   OH239695  -0.872   3.966   0.113
 1112TIP3    H139696  -0.873   3.869   0.100
 1112TIP3    H239697  -0.908   3.973   0.204
 1113TIP3   OH239698  -2.385   4.167   0.501
 1113TIP3    H139699  -2.369   4.197   0.411
 1113TIP3    H239700  -2.300   4.182   0.545
 1113TIP3   OH239701  -0.785   4.160   1.033
 1113TIP3    H139702  -0.713   4.101   1.061
 1113TIP3    H239703  -0.742   4.244   1.011
 1113TIP3   OH239704  -0.644   3.965   1.153
 1113TIP3    H139705  -0.725   3.913   1.134
 1113TIP3    H239706  -0.576   3.896   1.156
 1113TIP3   OH239707  -0.854   3.578  -0.558
 1113TIP3    H139708  -0.797   3.529  -0.495
 1113TIP3    H239709  -0.935   3.524  -0.562
 1113TIP3   OH239710  -0.873   3.706  -0.059
 1113TIP3    H139711  -0.848   3.611  -0.055
 1113TIP3    H239712  -0.793   3.742  -0.101
 1113TIP3   OH239713  -0.852   3.768   0.481
 1113TIP3    H139714  -0.754   3.779   0.479
 1113TIP3    H239715  -0.866   3.771   0.578
 1113TIP3   OH239716  -0.834   3.837   0.765
 1113TIP3    H139717  -0.920   3.875   0.789
 1113TIP3    H239718  -0.783   3.917   0.741
 1113TIP3   OH239719  -2.389   3.713   1.129
 1113TIP3    H139720  -2.294   3.694   1.135
 1113TIP3    H239721  -2.428   3.625   1.141
 1113TIP3   OH239722  -0.578   3.254   1.294
 1113TIP3    H139723  -0.537   3.184   1.239
 1113TIP3    H239724  -0.575   3.330   1.234
 1113TIP3   OH239725  -0.827   3.427  -0.063
 1113TIP3    H139726  -0.815   3.393   0.028
 1113TIP3    H239727  -0.906   3.378  -0.092
 1114TIP3   OH239728  -2.292   3.561   0.414
 1114TIP3    H139729  -2.255   3.471   0.421
 1114TIP3    H239730  -2.225   3.613   0.461
 1114TIP3   OH239731  -2.455   3.816   0.519
 1114TIP3    H139732  -2.398   3.812   0.441
 1114TIP3    H239733  -2.425   3.897   0.562
 1114TIP3   OH239734  -0.640   3.458   1.117
 1114TIP3    H139735  -0.729   3.499   1.122
 1114TIP3    H239736  -0.652   3.402   1.038
 1114TIP3   OH239737  -0.631   3.476  -0.397
 1114TIP3    H139738  -0.599   3.395  -0.440
 1114TIP3    H239739  -0.549   3.527  -0.389
 1114TIP3   OH239740  -2.405   3.450  -0.076
 1114TIP3    H139741  -2.500   3.453  -0.099
 1114TIP3    H239742  -2.364   3.509  -0.143
 1114TIP3   OH239743  -2.400   3.338   0.737
 1114TIP3    H139744  -2.471   3.310   0.796
 1114TIP3    H239745  -2.450   3.389   0.671
 1114TIP3   OH239746  -0.754   3.278   0.915
 1114TIP3    H139747  -0.834   3.299   0.864
 1114TIP3    H239748  -0.735   3.188   0.882
 1114TIP3   OH239749  -1.416   3.431   0.363
 1114TIP3    H139750  -1.482   3.362   0.379
 1114TIP3    H239751  -1.355   3.385   0.303
 1114TIP3   OH239752  -0.919   3.225   0.412
 1114TIP3    H139753  -0.841   3.267   0.373
 1114TIP3    H239754  -0.992   3.256   0.355
 1114TIP3   OH239755  -0.709   3.341   0.195
 1114TIP3    H139756  -0.638   3.297   0.143
 1114TIP3    H239757  -0.674   3.431   0.204
 1115TIP3   OH239758  -2.178   3.301   0.119
 1115TIP3    H139759  -2.263   3.287   0.074
 1115TIP3    H239760  -2.134   3.214   0.104
 1115TIP3   OH239761  -2.295   3.250  -0.295
 1115TIP3    H139762  -2.243   3.315  -0.345
 1115TIP3    H239763  -2.335   3.304  -0.226
 1115TIP3   OH239764  -1.732   3.288   0.107
 1115TIP3    H139765  -1.638   3.307   0.088
 1115TIP3    H239766  -1.728   3.267   0.201
 1115TIP3   OH239767  -1.178   3.267   0.251
 1115TIP3    H139768  -1.147   3.266   0.160
 1115TIP3    H239769  -1.193   3.173   0.268
 1115TIP3   OH239770  -1.059   3.288  -0.154
 1115TIP3    H139771  -1.142   3.336  -0.171
 1115TIP3    H239772  -1.092   3.198  -0.140
 1115TIP3   OH239773  -2.124   3.430  -0.449
 1115TIP3    H139774  -2.062   3.377  -0.502
 1115TIP3    H239775  -2.064   3.465  -0.380
 1115TIP3   OH239776  -1.617   3.451  -0.189
 1115TIP3    H139777  -1.582   3.389  -0.124
 1115TIP3    H239778  -1.591   3.536  -0.149
 1115TIP3   OH239779  -2.198   3.325   1.072
 1115TIP3    H139780  -2.235   3.242   1.107
 1115TIP3    H239781  -2.104   3.314   1.096
 1115TIP3   OH239782  -1.952   3.260   1.241
 1115TIP3    H139783  -1.869   3.224   1.204
 1115TIP3    H239784  -1.988   3.181   1.284
 1115TIP3   OH239785  -1.146   3.174   1.260
 1115TIP3    H139786  -1.142   3.133   1.348
 1115TIP3    H239787  -1.052   3.172   1.234
 1116TIP3   OH239788   0.492   4.123   0.429
 1116TIP3    H139789   0.496   4.102   0.524
 1116TIP3    H239790   0.463   4.037   0.394
 1116TIP3   OH239791  -0.262   4.081   0.613
 1116TIP3    H139792  -0.264   4.007   0.676
 1116TIP3    H239793  -0.191   4.135   0.652
 1116TIP3   OH239794  -0.492   3.886   0.007
 1116TIP3    H139795  -0.537   3.972   0.014
 1116TIP3    H239796  -0.561   3.832  -0.033
 1116TIP3   OH239797  -0.396   4.136   0.196
 1116TIP3    H139798  -0.399   4.055   0.250
 1116TIP3    H239799  -0.319   4.117   0.141
 1116TIP3   OH239800   1.212   3.523   0.572
 1116TIP3    H139801   1.236   3.584   0.643
 1116TIP3    H239802   1.273   3.552   0.501
 1116TIP3   OH239803   0.676   3.805   0.560
 1116TIP3    H139804   0.689   3.708   0.566
 1116TIP3    H239805   0.665   3.816   0.464
 1116TIP3   OH239806  -0.028   3.606   0.267
 1116TIP3    H139807  -0.015   3.691   0.220
 1116TIP3    H239808  -0.063   3.552   0.193
 1116TIP3   OH239809   0.758   3.623   0.098
 1116TIP3    H139810   0.815   3.579   0.165
 1116TIP3    H239811   0.825   3.667   0.043
 1116TIP3   OH239812  -0.360   3.878   0.317
 1116TIP3    H139813  -0.297   3.830   0.374
 1116TIP3    H239814  -0.351   3.829   0.234
 1116TIP3   OH239815   0.190   4.023   0.264
 1116TIP3    H139816   0.251   3.960   0.306
 1116TIP3    H239817   0.131   3.962   0.215
 1117TIP3   OH239818   1.285   3.660   0.821
 1117TIP3    H139819   1.226   3.732   0.791
 1117TIP3    H239820   1.262   3.656   0.914
 1117TIP3   OH239821  -0.147   3.485   0.683
 1117TIP3    H139822  -0.189   3.534   0.610
 1117TIP3    H239823  -0.213   3.498   0.754
 1117TIP3   OH239824   0.126   4.266   0.656
 1117TIP3    H139825   0.042   4.314   0.664
 1117TIP3    H239826   0.187   4.341   0.667
 1117TIP3   OH239827   0.940   3.547   0.301
 1117TIP3    H139828   0.902   3.486   0.366
 1117TIP3    H239829   0.992   3.606   0.358
 1117TIP3   OH239830  -0.188   3.689   0.476
 1117TIP3    H139831  -0.124   3.746   0.524
 1117TIP3    H239832  -0.130   3.652   0.406
 1117TIP3   OH239833   0.953   3.463   0.687
 1117TIP3    H139834   0.876   3.501   0.641
 1117TIP3    H239835   1.025   3.480   0.623
 1117TIP3   OH239836   0.266   3.234   0.392
 1117TIP3    H139837   0.244   3.139   0.386
 1117TIP3    H239838   0.184   3.272   0.429
 1117TIP3   OH239839   0.466   4.148  -0.117
 1117TIP3    H139840   0.402   4.198  -0.172
 1117TIP3    H239841   0.542   4.147  -0.177
 1117TIP3   OH239842   0.505   3.941  -0.413
 1117TIP3    H139843   0.578   3.981  -0.362
 1117TIP3    H239844   0.554   3.893  -0.481
 1117TIP3   OH239845   1.216   4.055   0.689
 1117TIP3    H139846   1.152   4.128   0.704
 1117TIP3    H239847   1.268   4.094   0.616
 1118TIP3   OH239848   0.818   4.156  -0.013
 1118TIP3    H139849   0.739   4.141   0.040
 1118TIP3    H239850   0.884   4.097   0.029
 1118TIP3   OH239851   0.808   3.981   0.859
 1118TIP3    H139852   0.812   4.057   0.919
 1118TIP3    H239853   0.752   4.018   0.789
 1118TIP3   OH239854  -0.027   4.200   0.159
 1118TIP3    H139855  -0.042   4.175   0.066
 1118TIP3    H239856   0.059   4.157   0.177
 1118TIP3   OH239857   0.043   4.065   0.500
 1118TIP3    H139858   0.100   4.075   0.421
 1118TIP3    H239859   0.072   4.141   0.555
 1118TIP3   OH239860   0.722   4.074  -0.265
 1118TIP3    H139861   0.781   4.106  -0.195
 1118TIP3    H239862   0.762   4.120  -0.344
 1118TIP3   OH239863  -0.173   4.147   0.886
 1118TIP3    H139864  -0.161   4.210   0.961
 1118TIP3    H239865  -0.270   4.141   0.884
 1118TIP3   OH239866   1.066   3.247  -0.328
 1118TIP3    H139867   0.979   3.256  -0.285
 1118TIP3    H239868   1.101   3.337  -0.322
 1118TIP3   OH239869  -0.126   4.090  -0.088
 1118TIP3    H139870  -0.142   4.168  -0.146
 1118TIP3    H239871  -0.186   4.024  -0.124
 1118TIP3   OH239872  -0.519   4.310   0.788
 1118TIP3    H139873  -0.528   4.291   0.694
 1118TIP3    H239874  -0.494   4.223   0.825
 1118TIP3   OH239875   1.006   3.837   1.093
 1118TIP3    H139876   0.957   3.875   1.019
 1118TIP3    H239877   1.013   3.744   1.066
 1119TIP3   OH239878   0.024   3.349   0.483
 1119TIP3    H139879  -0.058   3.342   0.430
 1119TIP3    H239880  -0.001   3.421   0.543
 1119TIP3   OH239881   0.461   3.307   0.848
 1119TIP3    H139882   0.513   3.254   0.910
 1119TIP3    H239883   0.370   3.272   0.860
 1119TIP3   OH239884   0.777   3.685   0.898
 1119TIP3    H139885   0.716   3.670   0.973
 1119TIP3    H239886   0.769   3.781   0.882
 1119TIP3   OH239887   0.856   4.173  -0.476
 1119TIP3    H139888   0.851   4.159  -0.572
 1119TIP3    H239889   0.943   4.215  -0.467
 1119TIP3   OH239890   0.442   3.557  -0.426
 1119TIP3    H139891   0.392   3.544  -0.344
 1119TIP3    H239892   0.400   3.490  -0.483
 1119TIP3   OH239893   0.010   3.823   0.627
 1119TIP3    H139894  -0.052   3.837   0.701
 1119TIP3    H239895   0.018   3.914   0.589
 1119TIP3   OH239896   0.005   3.837   0.111
 1119TIP3    H139897  -0.091   3.828   0.095
 1119TIP3    H239898   0.039   3.816   0.021
 1119TIP3   OH239899   0.571   3.906  -0.004
 1119TIP3    H139900   0.520   3.978  -0.046
 1119TIP3    H239901   0.630   3.879  -0.077
 1119TIP3   OH239902   0.483   3.922   1.134
 1119TIP3    H139903   0.434   3.843   1.164
 1119TIP3    H239904   0.573   3.904   1.169
 1119TIP3   OH239905   0.650   3.831   0.262
 1119TIP3    H139906   0.620   3.879   0.182
 1119TIP3    H239907   0.675   3.746   0.220
 1120TIP3   OH239908  -0.252   3.841   0.803
 1120TIP3    H139909  -0.231   3.878   0.889
 1120TIP3    H239910  -0.288   3.754   0.827
 1120TIP3   OH239911   0.085   3.602  -0.536
 1120TIP3    H139912   0.049   3.567  -0.453
 1120TIP3    H239913   0.006   3.617  -0.589
 1120TIP3   OH239914  -0.571   3.592   0.171
 1120TIP3    H139915  -0.511   3.587   0.247
 1120TIP3    H239916  -0.521   3.550   0.099
 1120TIP3   OH239917  -0.412   3.634  -0.257
 1120TIP3    H139918  -0.359   3.682  -0.324
 1120TIP3    H239919  -0.483   3.699  -0.240
 1120TIP3   OH239920   0.546   4.000   0.707
 1120TIP3    H139921   0.599   3.932   0.659
 1120TIP3    H239922   0.520   3.950   0.786
 1120TIP3   OH239923   0.282   3.598   0.216
 1120TIP3    H139924   0.187   3.590   0.237
 1120TIP3    H239925   0.322   3.571   0.301
 1120TIP3   OH239926  -0.263   3.717   0.082
 1120TIP3    H139927  -0.344   3.743   0.035
 1120TIP3    H239928  -0.234   3.637   0.034
 1120TIP3   OH239929   0.100   3.752  -0.149
 1120TIP3    H139930   0.197   3.758  -0.146
 1120TIP3    H239931   0.076   3.809  -0.224
 1120TIP3   OH239932   0.719   3.508   0.516
 1120TIP3    H139933   0.655   3.508   0.590
 1120TIP3    H239934   0.662   3.473   0.445
 1120TIP3   OH239935  -0.054   3.877  -0.372
 1120TIP3    H139936  -0.111   3.845  -0.444
 1120TIP3    H239937   0.027   3.898  -0.421
 1121TIP3   OH239938  -0.162   4.316   1.094
 1121TIP3    H139939  -0.106   4.365   1.158
 1121TIP3    H239940  -0.243   4.304   1.147
 1121TIP3   OH239941   0.386   3.855   0.399
 1121TIP3    H139942   0.453   3.805   0.351
 1121TIP3    H239943   0.365   3.795   0.473
 1121TIP3   OH239944  -0.091   3.487   0.016
 1121TIP3    H139945  -0.145   3.407   0.028
 1121TIP3    H239946  -0.010   3.450  -0.024
 1121TIP3   OH239947   0.281   3.698   0.617
 1121TIP3    H139948   0.200   3.752   0.624
 1121TIP3    H239949   0.330   3.720   0.699
 1121TIP3   OH239950   0.278  -4.331  -0.206
 1121TIP3    H139951   0.208  -4.391  -0.238
 1121TIP3    H239952   0.267  -4.329  -0.110
 1121TIP3   OH239953   1.040   4.266   0.679
 1121TIP3    H139954   1.068   4.311   0.597
 1121TIP3    H239955   0.945   4.258   0.659
 1121TIP3   OH239956   0.710   3.616  -0.411
 1121TIP3    H139957   0.611   3.614  -0.416
 1121TIP3    H239958   0.727   3.690  -0.350
 1121TIP3   OH239959   0.777   3.798  -0.202
 1121TIP3    H139960   0.866   3.781  -0.166
 1121TIP3    H239961   0.788   3.884  -0.247
 1121TIP3   OH239962  -0.161   4.252   0.387
 1121TIP3    H139963  -0.109   4.240   0.305
 1121TIP3    H239964  -0.159   4.163   0.425
 1121TIP3   OH239965  -0.462   4.079   0.916
 1121TIP3    H139966  -0.452   4.042   1.006
 1121TIP3    H239967  -0.536   4.028   0.879
 1122TIP3   OH239968   0.229   4.051   1.120
 1122TIP3    H139969   0.194   4.027   1.032
 1122TIP3    H239970   0.323   4.027   1.110
 1122TIP3   OH239971   1.235   3.798  -0.233
 1122TIP3    H139972   1.181   3.779  -0.311
 1122TIP3    H239973   1.248   3.893  -0.247
 1122TIP3   OH239974   0.783   4.186   0.541
 1122TIP3    H139975   0.692   4.173   0.511
 1122TIP3    H239976   0.834   4.133   0.478
 1122TIP3   OH239977  -0.363   4.094  -0.428
 1122TIP3    H139978  -0.304   4.155  -0.381
 1122TIP3    H239979  -0.448   4.112  -0.383
 1122TIP3   OH239980  -0.336   3.566   0.883
 1122TIP3    H139981  -0.427   3.589   0.855
 1122TIP3    H239982  -0.350   3.477   0.922
 1122TIP3   OH239983  -0.185  -4.387  -0.241
 1122TIP3    H139984  -0.277  -4.353  -0.230
 1122TIP3    H239985  -0.141  -4.306  -0.271
 1122TIP3   OH239986   0.560   3.549   0.736
 1122TIP3    H139987   0.623   3.576   0.805
 1122TIP3    H239988   0.512   3.474   0.778
 1122TIP3   OH239989   0.624   3.494  -0.138
 1122TIP3    H139990   0.643   3.545  -0.218
 1122TIP3    H239991   0.672   3.543  -0.070
 1122TIP3   OH239992   0.367   3.693  -0.043
 1122TIP3    H139993   0.444   3.750  -0.028
 1122TIP3    H239994   0.336   3.675   0.048
 1122TIP3   OH239995   0.407   3.792   0.874
 1122TIP3    H139996   0.411   3.839   0.958
 1122TIP3    H239997   0.454   3.710   0.895
 1123TIP3   OH239998   0.425   3.394   0.050
 1123TIP3    H139999   0.407   3.463   0.117
 1123TIP3    H240000   0.498   3.435  -0.001
 1123TIP3   OH240001  -0.002   3.494  -0.297
 1123TIP3    H140002  -0.000   3.570  -0.236
 1123TIP3    H240003   0.079   3.446  -0.270
 1123TIP3   OH240004   1.031   3.585   0.961
 1123TIP3    H140005   0.935   3.596   0.946
 1123TIP3    H240006   1.056   3.562   0.870
 1123TIP3   OH240007   0.882   3.967   0.357
 1123TIP3    H140008   0.800   3.919   0.336
 1123TIP3    H240009   0.932   3.901   0.409
 1123TIP3   OH240010  -0.350   3.800  -0.475
 1123TIP3    H140011  -0.335   3.895  -0.459
 1123TIP3    H240012  -0.434   3.800  -0.522
 1123TIP3   OH240013  -0.256   3.303   0.399
 1123TIP3    H140014  -0.275   3.299   0.303
 1123TIP3    H240015  -0.289   3.217   0.430
 1123TIP3   OH240016  -0.406   4.306   1.207
 1123TIP3    H140017  -0.427   4.211   1.208
 1123TIP3    H240018  -0.486   4.349   1.179
 1123TIP3   OH240019   0.185   4.329   1.158
 1123TIP3    H140020   0.186   4.345   1.062
 1123TIP3    H240021   0.219   4.237   1.163
 1123TIP3   OH240022   0.786  -4.376   0.933
 1123TIP3    H140023   0.866  -4.333   0.900
 1123TIP3    H240024   0.719  -4.309   0.915
 1123TIP3   OH240025  -0.348   4.024   1.178
 1123TIP3    H140026  -0.271   3.966   1.171
 1123TIP3    H240027  -0.347   4.045   1.273
 1124TIP3   OH240028   0.109   4.161  -0.303
 1124TIP3    H140029   0.040   4.115  -0.255
 1124TIP3    H240030   0.127   4.100  -0.377
 1124TIP3   OH240031   0.025   3.933   0.919
 1124TIP3    H140032  -0.033   4.010   0.935
 1124TIP3    H240033   0.087   3.969   0.854
 1124TIP3   OH240034   0.191   3.957  -0.488
 1124TIP3    H140035   0.190   3.972  -0.584
 1124TIP3    H240036   0.287   3.959  -0.470
 1124TIP3   OH240037   0.554   4.215   1.275
 1124TIP3    H140038   0.640   4.196   1.237
 1124TIP3    H240039   0.519   4.128   1.295
 1124TIP3   OH240040   1.125   4.189  -0.567
 1124TIP3    H140041   1.113   4.187  -0.663
 1124TIP3    H240042   1.124   4.285  -0.545
 1124TIP3   OH240043   0.082   3.663   1.030
 1124TIP3    H140044   0.087   3.597   0.958
 1124TIP3    H240045   0.060   3.744   0.980
 1124TIP3   OH240046   0.114   3.511   0.775
 1124TIP3    H140047   0.165   3.562   0.709
 1124TIP3    H240048   0.023   3.513   0.738
 1124TIP3   OH240049   0.264   4.066   0.806
 1124TIP3    H140050   0.348   4.053   0.760
 1124TIP3    H240051   0.230   4.148   0.766
 1124TIP3   OH240052   0.729   3.849   1.294
 1124TIP3    H140053   0.749   3.755   1.303
 1124TIP3    H240054   0.818   3.887   1.287
 1124TIP3   OH240055   0.823   4.136   1.128
 1124TIP3    H140056   0.800   4.208   1.064
 1124TIP3    H240057   0.914   4.118   1.101
 1125TIP3   OH240058  -0.104   3.851   1.209
 1125TIP3    H140059  -0.154   3.767   1.208
 1125TIP3    H240060  -0.021   3.824   1.165
 1125TIP3   OH240061   0.186   3.244   0.810
 1125TIP3    H140062   0.168   3.339   0.794
 1125TIP3    H240063   0.117   3.201   0.756
 1125TIP3   OH240064   0.313   3.702   1.188
 1125TIP3    H140065   0.279   3.680   1.276
 1125TIP3    H240066   0.234   3.682   1.134
 1125TIP3   OH240067   0.567   3.608   1.076
 1125TIP3    H140068   0.478   3.611   1.117
 1125TIP3    H240069   0.613   3.543   1.132
 1125TIP3   OH240070   0.751   3.455   1.247
 1125TIP3    H140071   0.737   3.359   1.262
 1125TIP3    H240072   0.733   3.493   1.335
 1125TIP3   OH240073  -0.231   3.594   1.193
 1125TIP3    H140074  -0.240   3.524   1.126
 1125TIP3    H240075  -0.254   3.546   1.275
 1125TIP3   OH240076   0.171   3.192   1.092
 1125TIP3    H140077   0.230   3.115   1.097
 1125TIP3    H240078   0.168   3.207   0.995
 1125TIP3   OH240079   0.265   3.379   1.277
 1125TIP3    H140080   0.236   3.319   1.205
 1125TIP3    H240081   0.195   3.446   1.278
 1125TIP3   OH240082   1.206   4.366  -0.118
 1125TIP3    H140083   1.299   4.361  -0.143
 1125TIP3    H240084   1.186   4.278  -0.082
 1125TIP3   OH240085   1.241   4.128   0.037
 1125TIP3    H140086   1.161   4.089   0.079
 1125TIP3    H240087   1.297   4.151   0.114
 1126TIP3   OH240088   1.258   4.093  -0.309
 1126TIP3    H140089   1.195   4.117  -0.380
 1126TIP3    H240090   1.246   4.167  -0.248
 1126TIP3   OH240091   1.086   3.843  -0.475
 1126TIP3    H140092   1.105   3.907  -0.545
 1126TIP3    H240093   1.062   3.763  -0.525
 1126TIP3   OH240094   1.005   3.967   0.109
 1126TIP3    H140095   1.011   3.870   0.098
 1126TIP3    H240096   0.976   3.974   0.203
 1126TIP3   OH240097  -0.501   4.186   0.511
 1126TIP3    H140098  -0.491   4.203   0.416
 1126TIP3    H240099  -0.410   4.161   0.537
 1126TIP3   OH240100   1.099   4.161   1.037
 1126TIP3    H140101   1.171   4.101   1.061
 1126TIP3    H240102   1.143   4.244   1.010
 1126TIP3   OH240103   1.242   3.965   1.152
 1126TIP3    H140104   1.161   3.912   1.134
 1126TIP3    H240105   1.310   3.896   1.156
 1126TIP3   OH240106   1.031   3.578  -0.557
 1126TIP3    H140107   1.089   3.529  -0.496
 1126TIP3    H240108   0.951   3.524  -0.562
 1126TIP3   OH240109   1.013   3.706  -0.059
 1126TIP3    H140110   1.038   3.611  -0.054
 1126TIP3    H240111   1.094   3.742  -0.101
 1126TIP3   OH240112   1.035   3.768   0.482
 1126TIP3    H140113   1.132   3.779   0.481
 1126TIP3    H240114   1.020   3.770   0.578
 1126TIP3   OH240115   1.052   3.837   0.765
 1126TIP3    H140116   0.966   3.875   0.789
 1126TIP3    H240117   1.103   3.918   0.741
 1127TIP3   OH240118  -0.501   3.716   1.135
 1127TIP3    H140119  -0.407   3.690   1.134
 1127TIP3    H240120  -0.545   3.630   1.139
 1127TIP3   OH240121   1.307   3.253   1.294
 1127TIP3    H140122   1.348   3.183   1.239
 1127TIP3    H240123   1.310   3.330   1.234
 1127TIP3   OH240124   1.059   3.427  -0.064
 1127TIP3    H140125   1.070   3.394   0.027
 1127TIP3    H240126   0.979   3.378  -0.092
 1127TIP3   OH240127  -0.423   3.547   0.412
 1127TIP3    H140128  -0.378   3.461   0.419
 1127TIP3    H240129  -0.354   3.607   0.447
 1127TIP3   OH240130  -0.568   3.815   0.518
 1127TIP3    H140131  -0.509   3.812   0.441
 1127TIP3    H240132  -0.535   3.894   0.563
 1127TIP3   OH240133   1.245   3.458   1.117
 1127TIP3    H140134   1.157   3.499   1.123
 1127TIP3    H240135   1.233   3.402   1.038
 1127TIP3   OH240136   1.255   3.475  -0.397
 1127TIP3    H140137   1.286   3.395  -0.442
 1127TIP3    H240138   1.336   3.527  -0.389
 1127TIP3   OH240139  -0.519   3.448  -0.078
 1127TIP3    H140140  -0.614   3.452  -0.098
 1127TIP3    H240141  -0.479   3.508  -0.143
 1127TIP3   OH240142  -0.514   3.339   0.739
 1127TIP3    H140143  -0.586   3.309   0.796
 1127TIP3    H240144  -0.564   3.387   0.670
 1127TIP3   OH240145   1.132   3.280   0.916
 1127TIP3    H140146   1.051   3.299   0.865
 1127TIP3    H240147   1.154   3.190   0.883
 1128TIP3   OH240148   0.473   3.431   0.361
 1128TIP3    H140149   0.405   3.362   0.377
 1128TIP3    H240150   0.535   3.383   0.302
 1128TIP3   OH240151   0.970   3.234   0.410
 1128TIP3    H140152   1.046   3.277   0.367
 1128TIP3    H240153   0.896   3.260   0.353
 1128TIP3   OH240154   1.177   3.343   0.195
 1128TIP3    H140155   1.248   3.300   0.144
 1128TIP3    H240156   1.211   3.434   0.204
 1128TIP3   OH240157  -0.299   3.295   0.118
 1128TIP3    H140158  -0.383   3.283   0.070
 1128TIP3    H240159  -0.258   3.207   0.104
 1128TIP3   OH240160  -0.412   3.252  -0.296
 1128TIP3    H140161  -0.358   3.317  -0.345
 1128TIP3    H240162  -0.449   3.305  -0.225
 1128TIP3   OH240163   0.156   3.285   0.105
 1128TIP3    H140164   0.249   3.311   0.091
 1128TIP3    H240165   0.153   3.272   0.200
 1128TIP3   OH240166   0.715   3.288   0.246
 1128TIP3    H140167   0.743   3.270   0.156
 1128TIP3    H240168   0.677   3.202   0.272
 1128TIP3   OH240169   0.826   3.288  -0.154
 1128TIP3    H140170   0.744   3.338  -0.169
 1128TIP3    H240171   0.792   3.198  -0.139
 1128TIP3   OH240172  -0.238   3.434  -0.451
 1128TIP3    H140173  -0.177   3.376  -0.501
 1128TIP3    H240174  -0.179   3.466  -0.380
 1128TIP3   OH240175   0.271   3.451  -0.190
 1128TIP3    H140176   0.306   3.392  -0.120
 1128TIP3    H240177   0.292   3.537  -0.151
 1129TIP3   OH240178  -0.311   3.325   1.072
 1129TIP3    H140179  -0.351   3.243   1.106
 1129TIP3    H240180  -0.218   3.312   1.097
 1129TIP3   OH240181  -0.072   3.264   1.245
 1129TIP3    H140182   0.010   3.229   1.204
 1129TIP3    H240183  -0.107   3.184   1.287
 1129TIP3   OH240184   0.740   3.175   1.262
 1129TIP3    H140185   0.744   3.132   1.349
 1129TIP3    H240186   0.834   3.171   1.235
 1129TIP3   OH240187   2.498   4.203   0.126
 1129TIP3    H140188   2.468   4.295   0.126
 1129TIP3    H240189   2.424   4.160   0.080
 1129TIP3   OH240190   2.377   4.133   0.454
 1129TIP3    H140191   2.382   4.079   0.535
 1129TIP3    H240192   2.354   4.068   0.387
 1129TIP3   OH240193   1.623   4.082   0.615
 1129TIP3    H140194   1.621   4.007   0.677
 1129TIP3    H240195   1.697   4.133   0.651
 1129TIP3   OH240196   1.393   3.885   0.007
 1129TIP3    H140197   1.350   3.972   0.014
 1129TIP3    H240198   1.324   3.832  -0.034
 1129TIP3   OH240199   1.487   4.135   0.194
 1129TIP3    H140200   1.486   4.055   0.250
 1129TIP3    H240201   1.567   4.120   0.143
 1129TIP3   OH240202   3.098   3.522   0.572
 1129TIP3    H140203   3.122   3.585   0.642
 1129TIP3    H240204   3.158   3.550   0.501
 1129TIP3   OH240205   2.561   3.804   0.560
 1129TIP3    H140206   2.575   3.707   0.564
 1129TIP3    H240207   2.552   3.818   0.465
 1130TIP3   OH240208   1.859   3.605   0.267
 1130TIP3    H140209   1.872   3.691   0.222
 1130TIP3    H240210   1.823   3.553   0.192
 1130TIP3   OH240211   2.643   3.622   0.098
 1130TIP3    H140212   2.702   3.580   0.165
 1130TIP3    H240213   2.709   3.667   0.043
 1130TIP3   OH240214   1.524   3.877   0.318
 1130TIP3    H140215   1.589   3.831   0.374
 1130TIP3    H240216   1.535   3.829   0.234
 1130TIP3   OH240217   2.068   4.018   0.266
 1130TIP3    H140218   2.135   3.960   0.305
 1130TIP3    H240219   2.013   3.954   0.216
 1130TIP3   OH240220   3.171   3.661   0.821
 1130TIP3    H140221   3.113   3.732   0.790
 1130TIP3    H240222   3.146   3.656   0.914
 1130TIP3   OH240223   1.737   3.484   0.683
 1130TIP3    H140224   1.697   3.535   0.611
 1130TIP3    H240225   1.672   3.498   0.754
 1130TIP3   OH240226   2.010   4.266   0.660
 1130TIP3    H140227   1.929   4.319   0.667
 1130TIP3    H240228   2.075   4.337   0.653
 1130TIP3   OH240229   2.826   3.546   0.302
 1130TIP3    H140230   2.786   3.488   0.369
 1130TIP3    H240231   2.878   3.607   0.357
 1130TIP3   OH240232   1.698   3.689   0.477
 1130TIP3    H140233   1.762   3.746   0.524
 1130TIP3    H240234   1.755   3.653   0.406
 1130TIP3   OH240235   2.839   3.461   0.686
 1130TIP3    H140236   2.762   3.501   0.641
 1130TIP3    H240237   2.911   3.481   0.624
 1131TIP3   OH240238   2.151   3.232   0.390
 1131TIP3    H140239   2.129   3.138   0.387
 1131TIP3    H240240   2.069   3.271   0.428
 1131TIP3   OH240241   2.349   4.144  -0.134
 1131TIP3    H140242   2.284   4.178  -0.198
 1131TIP3    H240243   2.427   4.134  -0.192
 1131TIP3   OH240244   2.390   3.942  -0.416
 1131TIP3    H140245   2.463   3.979  -0.363
 1131TIP3    H240246   2.439   3.892  -0.483
 1131TIP3   OH240247   3.102   4.056   0.691
 1131TIP3    H140248   3.036   4.128   0.703
 1131TIP3    H240249   3.153   4.094   0.616
 1131TIP3   OH240250   2.721   4.141  -0.033
 1131TIP3    H140251   2.655   4.162   0.036
 1131TIP3    H240252   2.787   4.090   0.017
 1131TIP3   OH240253   2.694   3.981   0.859
 1131TIP3    H140254   2.697   4.058   0.917
 1131TIP3    H240255   2.638   4.017   0.788
 1131TIP3   OH240256   1.872   4.205   0.162
 1131TIP3    H140257   1.853   4.181   0.069
 1131TIP3    H240258   1.953   4.154   0.179
 1131TIP3   OH240259   1.925   4.069   0.500
 1131TIP3    H140260   1.984   4.074   0.422
 1131TIP3    H240261   1.959   4.142   0.556
 1131TIP3   OH240262   2.601   4.075  -0.269
 1131TIP3    H140263   2.659   4.101  -0.194
 1131TIP3    H240264   2.648   4.119  -0.345
 1131TIP3   OH240265   1.713   4.148   0.887
 1131TIP3    H140266   1.724   4.211   0.961
 1131TIP3    H240267   1.616   4.139   0.886
 1132TIP3   OH240268   2.951   3.247  -0.328
 1132TIP3    H140269   2.865   3.258  -0.283
 1132TIP3    H240270   2.988   3.337  -0.323
 1132TIP3   OH240271   1.760   4.089  -0.088
 1132TIP3    H140272   1.745   4.167  -0.146
 1132TIP3    H240273   1.698   4.024  -0.125
 1132TIP3   OH240274   1.353   4.308   0.789
 1132TIP3    H140275   1.360   4.293   0.693
 1132TIP3    H240276   1.390   4.225   0.825
 1132TIP3   OH240277   2.893   3.838   1.093
 1132TIP3    H140278   2.842   3.876   1.020
 1132TIP3    H240279   2.898   3.744   1.066
 1132TIP3   OH240280   1.909   3.347   0.483
 1132TIP3    H140281   1.827   3.343   0.431
 1132TIP3    H240282   1.889   3.422   0.541
 1132TIP3   OH240283   2.346   3.305   0.846
 1132TIP3    H140284   2.399   3.254   0.910
 1132TIP3    H240285   2.256   3.272   0.860
 1132TIP3   OH240286   2.664   3.685   0.900
 1132TIP3    H140287   2.601   3.670   0.973
 1132TIP3    H240288   2.654   3.781   0.882
 1132TIP3   OH240289   2.740   4.177  -0.476
 1132TIP3    H140290   2.735   4.158  -0.571
 1132TIP3    H240291   2.829   4.215  -0.469
 1132TIP3   OH240292   2.326   3.558  -0.427
 1132TIP3    H140293   2.277   3.544  -0.345
 1132TIP3    H240294   2.286   3.490  -0.484
 1132TIP3   OH240295   1.895   3.824   0.626
 1132TIP3    H140296   1.835   3.838   0.701
 1132TIP3    H240297   1.904   3.914   0.588
 1133TIP3   OH240298   1.890   3.834   0.111
 1133TIP3    H140299   1.794   3.826   0.094
 1133TIP3    H240300   1.924   3.816   0.021
 1133TIP3   OH240301   2.450   3.899  -0.009
 1133TIP3    H140302   2.404   3.975  -0.049
 1133TIP3    H240303   2.518   3.879  -0.076
 1133TIP3   OH240304   2.370   3.921   1.133
 1133TIP3    H140305   2.319   3.843   1.165
 1133TIP3    H240306   2.458   3.904   1.170
 1133TIP3   OH240307   2.533   3.830   0.266
 1133TIP3    H140308   2.506   3.885   0.190
 1133TIP3    H240309   2.559   3.749   0.218
 1133TIP3   OH240310   1.634   3.841   0.803
 1133TIP3    H140311   1.655   3.878   0.889
 1133TIP3    H240312   1.598   3.754   0.827
 1133TIP3   OH240313   1.970   3.603  -0.536
 1133TIP3    H140314   1.934   3.567  -0.453
 1133TIP3    H240315   1.891   3.616  -0.590
 1133TIP3   OH240316   1.314   3.591   0.171
 1133TIP3    H140317   1.375   3.588   0.247
 1133TIP3    H240318   1.365   3.552   0.099
 1133TIP3   OH240319   1.473   3.634  -0.258
 1133TIP3    H140320   1.527   3.682  -0.324
 1133TIP3    H240321   1.403   3.699  -0.240
 1133TIP3   OH240322   2.432   3.997   0.710
 1133TIP3    H140323   2.486   3.930   0.662
 1133TIP3    H240324   2.405   3.945   0.787
 1133TIP3   OH240325   2.166   3.592   0.214
 1133TIP3    H140326   2.071   3.591   0.237
 1133TIP3    H240327   2.207   3.576   0.301
 1134TIP3   OH240328   1.622   3.716   0.083
 1134TIP3    H140329   1.541   3.744   0.035
 1134TIP3    H240330   1.651   3.638   0.034
 1134TIP3   OH240331   1.987   3.751  -0.150
 1134TIP3    H140332   2.083   3.759  -0.146
 1134TIP3    H240333   1.962   3.810  -0.224
 1134TIP3   OH240334   2.605   3.507   0.516
 1134TIP3    H140335   2.541   3.508   0.591
 1134TIP3    H240336   2.547   3.474   0.445
 1134TIP3   OH240337   1.830   3.876  -0.372
 1134TIP3    H140338   1.774   3.844  -0.445
 1134TIP3    H240339   1.912   3.897  -0.420
 1134TIP3   OH240340   1.724   4.316   1.094
 1134TIP3    H140341   1.780   4.364   1.158
 1134TIP3    H240342   1.643   4.304   1.148
 1134TIP3   OH240343   2.266   3.848   0.395
 1134TIP3    H140344   2.343   3.809   0.352
 1134TIP3    H240345   2.253   3.789   0.472
 1134TIP3   OH240346   1.799   3.489   0.015
 1134TIP3    H140347   1.743   3.411   0.028
 1134TIP3    H240348   1.877   3.452  -0.027
 1134TIP3   OH240349   2.165   3.693   0.621
 1134TIP3    H140350   2.088   3.753   0.622
 1134TIP3    H240351   2.215   3.721   0.700
 1134TIP3   OH240352   2.130   4.365  -0.160
 1134TIP3    H140353   2.099   4.302  -0.227
 1134TIP3    H240354   2.193   4.317  -0.106
 1134TIP3   OH240355   2.926   4.266   0.678
 1134TIP3    H140356   2.951   4.312   0.596
 1134TIP3    H240357   2.831   4.256   0.659
 1135TIP3   OH240358   2.595   3.615  -0.411
 1135TIP3    H140359   2.497   3.614  -0.416
 1135TIP3    H240360   2.614   3.689  -0.350
 1135TIP3   OH240361   2.663   3.798  -0.204
 1135TIP3    H140362   2.751   3.781  -0.166
 1135TIP3    H240363   2.675   3.884  -0.247
 1135TIP3   OH240364   1.719   4.247   0.380
 1135TIP3    H140365   1.779   4.239   0.303
 1135TIP3    H240366   1.733   4.162   0.424
 1135TIP3   OH240367   1.427   4.080   0.915
 1135TIP3    H140368   1.436   4.043   1.005
 1135TIP3    H240369   1.352   4.030   0.878
 1135TIP3   OH240370   2.115   4.049   1.120
 1135TIP3    H140371   2.081   4.028   1.031
 1135TIP3    H240372   2.209   4.028   1.110
 1135TIP3   OH240373   3.120   3.798  -0.230
 1135TIP3    H140374   3.067   3.777  -0.310
 1135TIP3    H240375   3.134   3.893  -0.247
 1135TIP3   OH240376   2.668   4.181   0.546
 1135TIP3    H140377   2.577   4.182   0.513
 1135TIP3    H240378   2.716   4.134   0.475
 1135TIP3   OH240379   1.523   4.095  -0.429
 1135TIP3    H140380   1.582   4.155  -0.381
 1135TIP3    H240381   1.438   4.112  -0.383
 1135TIP3   OH240382   1.549   3.565   0.882
 1135TIP3    H140383   1.459   3.590   0.856
 1135TIP3    H240384   1.535   3.477   0.923
 1135TIP3   OH240385   1.699  -4.387  -0.244
 1135TIP3    H140386   1.609  -4.352  -0.229
 1135TIP3    H240387   1.746  -4.306  -0.268
 1136TIP3   OH240388   2.447   3.549   0.736
 1136TIP3    H140389   2.508   3.576   0.805
 1136TIP3    H240390   2.398   3.475   0.777
 1136TIP3   OH240391   2.509   3.493  -0.138
 1136TIP3    H140392   2.528   3.544  -0.218
 1136TIP3    H240393   2.557   3.543  -0.070
 1136TIP3   OH240394   2.253   3.692  -0.044
 1136TIP3    H140395   2.329   3.751  -0.029
 1136TIP3    H240396   2.223   3.676   0.048
 1136TIP3   OH240397   2.292   3.791   0.874
 1136TIP3    H140398   2.296   3.840   0.957
 1136TIP3    H240399   2.340   3.711   0.896
 1136TIP3   OH240400   2.310   3.393   0.051
 1136TIP3    H140401   2.289   3.463   0.115
 1136TIP3    H240402   2.383   3.434   0.000
 1136TIP3   OH240403   1.883   3.494  -0.297
 1136TIP3    H140404   1.886   3.571  -0.237
 1136TIP3    H240405   1.965   3.447  -0.270
 1136TIP3   OH240406   2.917   3.584   0.961
 1136TIP3    H140407   2.821   3.597   0.946
 1136TIP3    H240408   2.942   3.562   0.870
 1136TIP3   OH240409   2.769   3.967   0.356
 1136TIP3    H140410   2.685   3.923   0.337
 1136TIP3    H240411   2.816   3.899   0.409
 1136TIP3   OH240412   1.536   3.800  -0.475
 1136TIP3    H140413   1.551   3.895  -0.459
 1136TIP3    H240414   1.452   3.801  -0.522
 1136TIP3   OH240415   1.633   3.303   0.400
 1136TIP3    H140416   1.613   3.302   0.304
 1136TIP3    H240417   1.595   3.218   0.430
 1137TIP3   OH240418   1.479   4.307   1.206
 1137TIP3    H140419   1.458   4.212   1.210
 1137TIP3    H240420   1.398   4.350   1.179
 1137TIP3   OH240421   2.070   4.329   1.160
 1137TIP3    H140422   2.071   4.346   1.063
 1137TIP3    H240423   2.105   4.237   1.163
 1137TIP3   OH240424   2.672  -4.376   0.934
 1137TIP3    H140425   2.751  -4.332   0.899
 1137TIP3    H240426   2.603  -4.311   0.913
 1137TIP3   OH240427   1.537   4.024   1.178
 1137TIP3    H140428   1.615   3.966   1.171
 1137TIP3    H240429   1.539   4.045   1.273
 1137TIP3   OH240430   1.995   4.161  -0.314
 1137TIP3    H140431   1.930   4.119  -0.257
 1137TIP3    H240432   2.010   4.092  -0.382
 1137TIP3   OH240433   1.911   3.933   0.918
 1137TIP3    H140434   1.853   4.010   0.935
 1137TIP3    H240435   1.973   3.970   0.853
 1137TIP3   OH240436   2.078   3.957  -0.487
 1137TIP3    H140437   2.076   3.971  -0.584
 1137TIP3    H240438   2.174   3.956  -0.470
 1137TIP3   OH240439   2.440   4.216   1.273
 1137TIP3    H140440   2.526   4.194   1.236
 1137TIP3    H240441   2.404   4.130   1.297
 1137TIP3   OH240442   3.007   4.189  -0.565
 1137TIP3    H140443   3.003   4.181  -0.661
 1137TIP3    H240444   3.012   4.285  -0.549
 1137TIP3   OH240445   1.967   3.664   1.029
 1137TIP3    H140446   1.973   3.598   0.958
 1137TIP3    H240447   1.946   3.745   0.980
 1138TIP3   OH240448   2.000   3.509   0.773
 1138TIP3    H140449   2.052   3.563   0.711
 1138TIP3    H240450   1.909   3.515   0.738
 1138TIP3   OH240451   2.150   4.066   0.805
 1138TIP3    H140452   2.234   4.055   0.758
 1138TIP3    H240453   2.115   4.148   0.765
 1138TIP3   OH240454   2.614   3.849   1.293
 1138TIP3    H140455   2.634   3.755   1.305
 1138TIP3    H240456   2.703   3.887   1.287
 1138TIP3   OH240457   2.709   4.137   1.129
 1138TIP3    H140458   2.685   4.208   1.065
 1138TIP3    H240459   2.800   4.118   1.099
 1138TIP3   OH240460   1.781   3.851   1.208
 1138TIP3    H140461   1.731   3.767   1.208
 1138TIP3    H240462   1.864   3.825   1.165
 1138TIP3   OH240463   2.072   3.243   0.809
 1138TIP3    H140464   2.056   3.338   0.793
 1138TIP3    H240465   2.000   3.203   0.756
 1138TIP3   OH240466   2.200   3.701   1.188
 1138TIP3    H140467   2.164   3.681   1.276
 1138TIP3    H240468   2.120   3.682   1.134
 1138TIP3   OH240469   2.451   3.607   1.075
 1138TIP3    H140470   2.363   3.612   1.117
 1138TIP3    H240471   2.497   3.543   1.133
 1138TIP3   OH240472   2.639   3.454   1.248
 1138TIP3    H140473   2.621   3.359   1.263
 1138TIP3    H240474   2.618   3.494   1.334
 1138TIP3   OH240475   1.654   3.594   1.193
 1138TIP3    H140476   1.646   3.524   1.126
 1138TIP3    H240477   1.631   3.546   1.275
 1139TIP3   OH240478   2.056   3.192   1.091
 1139TIP3    H140479   2.115   3.115   1.097
 1139TIP3    H240480   2.054   3.207   0.995
 1139TIP3   OH240481   2.150   3.379   1.277
 1139TIP3    H140482   2.119   3.319   1.205
 1139TIP3    H240483   2.082   3.447   1.279
 1139TIP3   OH240484   3.089   4.361  -0.127
 1139TIP3    H140485   3.184   4.362  -0.141
 1139TIP3    H240486   3.073   4.279  -0.079
 1139TIP3   OH240487   3.125   4.134   0.039
 1139TIP3    H140488   3.049   4.088   0.079
 1139TIP3    H240489   3.184   4.150   0.115
 1139TIP3   OH240490   3.139   4.091  -0.305
 1139TIP3    H140491   3.080   4.115  -0.379
 1139TIP3    H240492   3.130   4.168  -0.248
 1139TIP3   OH240493   2.970   3.844  -0.476
 1139TIP3    H140494   2.992   3.906  -0.547
 1139TIP3    H240495   2.947   3.762  -0.524
 1139TIP3   OH240496   2.899   3.966   0.113
 1139TIP3    H140497   2.898   3.870   0.099
 1139TIP3    H240498   2.864   3.973   0.204
 1139TIP3   OH240499   1.386   4.188   0.511
 1139TIP3    H140500   1.396   4.203   0.416
 1139TIP3    H240501   1.477   4.160   0.536
 1139TIP3   OH240502   2.985   4.161   1.036
 1139TIP3    H140503   3.058   4.101   1.062
 1139TIP3    H240504   3.029   4.244   1.010
 1139TIP3   OH240505   3.128   3.965   1.151
 1139TIP3    H140506   3.047   3.913   1.133
 1139TIP3    H240507   3.196   3.895   1.155
 1140TIP3   OH240508   2.915   3.580  -0.554
 1140TIP3    H140509   2.976   3.529  -0.498
 1140TIP3    H240510   2.837   3.523  -0.562
 1140TIP3   OH240511   2.898   3.706  -0.060
 1140TIP3    H140512   2.923   3.611  -0.055
 1140TIP3    H240513   2.978   3.743  -0.101
 1140TIP3   OH240514   2.920   3.766   0.482
 1140TIP3    H140515   3.017   3.779   0.480
 1140TIP3    H240516   2.905   3.771   0.578
 1140TIP3   OH240517   2.938   3.837   0.766
 1140TIP3    H140518   2.851   3.875   0.789
 1140TIP3    H240519   2.988   3.918   0.741
 1140TIP3   OH240520   1.385   3.716   1.133
 1140TIP3    H140521   1.478   3.690   1.135
 1140TIP3    H240522   1.341   3.629   1.139
 1140TIP3   OH240523   3.194   3.253   1.294
 1140TIP3    H140524   3.234   3.184   1.239
 1140TIP3    H240525   3.196   3.330   1.234
 1140TIP3   OH240526   2.944   3.427  -0.064
 1140TIP3    H140527   2.957   3.395   0.027
 1140TIP3    H240528   2.864   3.378  -0.091
 1140TIP3   OH240529   1.463   3.547   0.412
 1140TIP3    H140530   1.509   3.462   0.420
 1140TIP3    H240531   1.531   3.608   0.446
 1140TIP3   OH240532   1.317   3.815   0.518
 1140TIP3    H140533   1.377   3.812   0.441
 1140TIP3    H240534   1.350   3.893   0.564
 1140TIP3   OH240535   3.131   3.458   1.118
 1140TIP3    H140536   3.043   3.500   1.122
 1140TIP3    H240537   3.119   3.403   1.039
 1141TIP3   OH240538   3.142   3.475  -0.396
 1141TIP3    H140539   3.173   3.396  -0.443
 1141TIP3    H240540   3.223   3.530  -0.393
 1141TIP3   OH240541   1.367   3.448  -0.079
 1141TIP3    H140542   1.272   3.453  -0.099
 1141TIP3    H240543   1.407   3.509  -0.144
 1141TIP3   OH240544   1.371   3.337   0.737
 1141TIP3    H140545   1.301   3.309   0.797
 1141TIP3    H240546   1.321   3.389   0.671
 1141TIP3   OH240547   3.017   3.280   0.916
 1141TIP3    H140548   2.937   3.301   0.865
 1141TIP3    H240549   3.039   3.191   0.883
 1141TIP3   OH240550   2.360   3.428   0.365
 1141TIP3    H140551   2.290   3.361   0.375
 1141TIP3    H240552   2.420   3.384   0.302
 1141TIP3   OH240553   2.855   3.232   0.409
 1141TIP3    H140554   2.931   3.276   0.368
 1141TIP3    H240555   2.781   3.263   0.353
 1141TIP3   OH240556   3.062   3.342   0.195
 1141TIP3    H140557   3.134   3.300   0.144
 1141TIP3    H240558   3.095   3.434   0.204
 1141TIP3   OH240559   1.594   3.302   0.119
 1141TIP3    H140560   1.508   3.290   0.074
 1141TIP3    H240561   1.635   3.215   0.103
 1141TIP3   OH240562   1.477   3.250  -0.294
 1141TIP3    H140563   1.528   3.316  -0.345
 1141TIP3    H240564   1.436   3.305  -0.225
 1141TIP3   OH240565   2.043   3.272   0.102
 1141TIP3    H140566   2.131   3.310   0.090
 1141TIP3    H240567   2.038   3.268   0.198
 1142TIP3   OH240568   2.601   3.288   0.246
 1142TIP3    H140569   2.629   3.274   0.154
 1142TIP3    H240570   2.564   3.202   0.270
 1142TIP3   OH240571   2.712   3.288  -0.152
 1142TIP3    H140572   2.630   3.339  -0.169
 1142TIP3    H240573   2.677   3.197  -0.145
 1142TIP3   OH240574   1.647   3.432  -0.450
 1142TIP3    H140575   1.708   3.376  -0.502
 1142TIP3    H240576   1.707   3.465  -0.381
 1142TIP3   OH240577   2.156   3.450  -0.188
 1142TIP3    H140578   2.194   3.394  -0.118
 1142TIP3    H240579   2.177   3.538  -0.153
 1142TIP3   OH240580   1.575   3.324   1.071
 1142TIP3    H140581   1.535   3.243   1.106
 1142TIP3    H240582   1.667   3.312   1.098
 1142TIP3   OH240583   1.813   3.263   1.244
 1142TIP3    H140584   1.895   3.228   1.204
 1142TIP3    H240585   1.778   3.184   1.288
 1142TIP3   OH240586   2.626   3.174   1.261
 1142TIP3    H140587   2.629   3.133   1.349
 1142TIP3    H240588   2.720   3.171   1.235
 1142TIP3   OH240589   4.199   4.097   0.478
 1142TIP3    H140590   4.280   4.132   0.518
 1142TIP3    H240591   4.225   4.086   0.386
 1142TIP3   OH240592   3.507   4.083   0.615
 1142TIP3    H140593   3.507   4.007   0.677
 1142TIP3    H240594   3.584   4.132   0.647
 1142TIP3   OH240595   3.277   3.885   0.010
 1142TIP3    H140596   3.234   3.972   0.012
 1142TIP3    H240597   3.211   3.832  -0.036
 1143TIP3   OH240598   3.374   4.136   0.195
 1143TIP3    H140599   3.372   4.054   0.249
 1143TIP3    H240600   3.451   4.118   0.140
 1143TIP3   OH240601   3.746   3.607   0.268
 1143TIP3    H140602   3.758   3.692   0.221
 1143TIP3    H240603   3.711   3.553   0.193
 1143TIP3   OH240604   3.410   3.877   0.318
 1143TIP3    H140605   3.474   3.830   0.373
 1143TIP3    H240606   3.420   3.830   0.233
 1143TIP3   OH240607   3.953   4.015   0.268
 1143TIP3    H140608   4.026   3.959   0.301
 1143TIP3    H240609   3.901   3.950   0.218
 1143TIP3   OH240610   3.624   3.484   0.683
 1143TIP3    H140611   3.584   3.533   0.610
 1143TIP3    H240612   3.557   3.499   0.753
 1143TIP3   OH240613   3.894   4.263   0.667
 1143TIP3    H140614   3.814   4.318   0.666
 1143TIP3    H240615   3.962   4.331   0.655
 1143TIP3   OH240616   3.584   3.688   0.477
 1143TIP3    H140617   3.649   3.746   0.522
 1143TIP3    H240618   3.641   3.653   0.405
 1143TIP3   OH240619   4.043   3.231   0.398
 1143TIP3    H140620   4.015   3.138   0.395
 1143TIP3    H240621   3.963   3.274   0.434
 1143TIP3   OH240622   4.263   4.123  -0.137
 1143TIP3    H140623   4.194   4.185  -0.166
 1143TIP3    H240624   4.329   4.138  -0.204
 1143TIP3   OH240625   4.274   3.931  -0.400
 1143TIP3    H140626   4.359   3.973  -0.384
 1143TIP3    H240627   4.272   3.913  -0.494
 1144TIP3   OH240628   3.755   4.203   0.161
 1144TIP3    H140629   3.737   4.177   0.069
 1144TIP3    H240630   3.837   4.153   0.180
 1144TIP3   OH240631   3.810   4.069   0.501
 1144TIP3    H140632   3.872   4.069   0.424
 1144TIP3    H240633   3.847   4.141   0.557
 1144TIP3   OH240634   3.599   4.145   0.888
 1144TIP3    H140635   3.610   4.210   0.962
 1144TIP3    H240636   3.502   4.139   0.885
 1144TIP3   OH240637   3.643   4.092  -0.086
 1144TIP3    H140638   3.635   4.166  -0.150
 1144TIP3    H240639   3.596   4.022  -0.131
 1144TIP3   OH240640   3.244   4.309   0.789
 1144TIP3    H140641   3.244   4.292   0.694
 1144TIP3    H240642   3.276   4.224   0.825
 1144TIP3   OH240643   3.797   3.347   0.482
 1144TIP3    H140644   3.716   3.340   0.429
 1144TIP3    H240645   3.774   3.422   0.539
 1144TIP3   OH240646   4.233   3.283   0.909
 1144TIP3    H140647   4.244   3.211   0.971
 1144TIP3    H240648   4.141   3.267   0.877
 1144TIP3   OH240649   4.240   3.555  -0.418
 1144TIP3    H140650   4.168   3.553  -0.353
 1144TIP3    H240651   4.202   3.496  -0.486
 1144TIP3   OH240652   3.781   3.825   0.627
 1144TIP3    H140653   3.716   3.839   0.698
 1144TIP3    H240654   3.789   3.915   0.588
 1144TIP3   OH240655   3.776   3.832   0.108
 1144TIP3    H140656   3.680   3.826   0.093
 1144TIP3    H240657   3.808   3.822   0.016
 1145TIP3   OH240658   4.282   3.870   0.030
 1145TIP3    H140659   4.260   3.962   0.006
 1145TIP3    H240660   4.315   3.835  -0.052
 1145TIP3   OH240661   4.256   3.923   1.177
 1145TIP3    H140662   4.196   3.845   1.169
 1145TIP3    H240663   4.340   3.879   1.155
 1145TIP3   OH240664   3.522   3.841   0.803
 1145TIP3    H140665   3.538   3.879   0.890
 1145TIP3    H240666   3.484   3.754   0.826
 1145TIP3   OH240667   3.869   3.573  -0.540
 1145TIP3    H140668   3.816   3.555  -0.460
 1145TIP3    H240669   3.812   3.638  -0.585
 1145TIP3   OH240670   3.198   3.588   0.173
 1145TIP3    H140671   3.261   3.588   0.247
 1145TIP3    H240672   3.249   3.554   0.098
 1145TIP3   OH240673   3.363   3.635  -0.250
 1145TIP3    H140674   3.411   3.677  -0.325
 1145TIP3    H240675   3.290   3.698  -0.241
 1145TIP3   OH240676   4.351   3.969   0.749
 1145TIP3    H140677   4.380   3.904   0.682
 1145TIP3    H240678   4.270   3.925   0.781
 1145TIP3   OH240679   4.049   3.576   0.219
 1145TIP3    H140680   3.954   3.585   0.239
 1145TIP3    H240681   4.088   3.589   0.307
 1145TIP3   OH240682   3.505   3.715   0.084
 1145TIP3    H140683   3.428   3.744   0.033
 1145TIP3    H240684   3.538   3.638   0.034
 1145TIP3   OH240685   3.861   3.762  -0.168
 1145TIP3    H140686   3.957   3.772  -0.162
 1145TIP3    H240687   3.838   3.817  -0.246
 1146TIP3   OH240688   3.610   4.317   1.094
 1146TIP3    H140689   3.666   4.365   1.157
 1146TIP3    H240690   3.529   4.304   1.148
 1146TIP3   OH240691   4.144   3.824   0.356
 1146TIP3    H140692   4.217   3.782   0.309
 1146TIP3    H240693   4.165   3.803   0.449
 1146TIP3   OH240694   3.685   3.489   0.020
 1146TIP3    H140695   3.627   3.412   0.027
 1146TIP3    H240696   3.757   3.455  -0.035
 1146TIP3   OH240697   4.050   3.685   0.623
 1146TIP3    H140698   3.979   3.749   0.611
 1146TIP3    H240699   4.102   3.725   0.694
 1146TIP3   OH240700   4.076   4.349  -0.169
 1146TIP3    H140701   4.010   4.299  -0.223
 1146TIP3    H240702   4.053   4.323  -0.079
 1146TIP3   OH240703   3.609   4.251   0.383
 1146TIP3    H140704   3.666   4.241   0.303
 1146TIP3    H240705   3.617   4.164   0.423
 1146TIP3   OH240706   3.312   4.079   0.915
 1146TIP3    H140707   3.319   4.042   1.005
 1146TIP3    H240708   3.237   4.031   0.877
 1146TIP3   OH240709   4.001   4.047   1.124
 1146TIP3    H140710   3.966   4.023   1.037
 1146TIP3    H240711   4.096   4.035   1.112
 1146TIP3   OH240712   3.396   4.106  -0.439
 1146TIP3    H140713   3.472   4.137  -0.386
 1146TIP3    H240714   3.322   4.119  -0.378
 1146TIP3   OH240715   3.435   3.566   0.884
 1146TIP3    H140716   3.344   3.590   0.855
 1146TIP3    H240717   3.420   3.477   0.921
 1147TIP3   OH240718   3.589  -4.383  -0.242
 1147TIP3    H140719   3.496  -4.355  -0.231
 1147TIP3    H240720   3.629  -4.300  -0.271
 1147TIP3   OH240721   4.334   3.592   0.793
 1147TIP3    H140722   4.384   3.514   0.818
 1147TIP3    H240723   4.275   3.555   0.725
 1147TIP3   OH240724   4.119   3.667  -0.043
 1147TIP3    H140725   4.179   3.740  -0.017
 1147TIP3    H240726   4.082   3.648   0.045
 1147TIP3   OH240727   4.167   3.788   0.874
 1147TIP3    H140728   4.188   3.833   0.956
 1147TIP3    H240729   4.233   3.716   0.871
 1147TIP3   OH240730   4.196   3.388   0.078
 1147TIP3    H140731   4.166   3.469   0.126
 1147TIP3    H240732   4.270   3.423   0.025
 1147TIP3   OH240733   3.763   3.493  -0.291
 1147TIP3    H140734   3.769   3.579  -0.244
 1147TIP3    H240735   3.850   3.453  -0.274
 1147TIP3   OH240736   3.389   3.784  -0.478
 1147TIP3    H140737   3.453   3.858  -0.475
 1147TIP3    H240738   3.308   3.827  -0.507
 1147TIP3   OH240739   3.516   3.304   0.401
 1147TIP3    H140740   3.499   3.303   0.304
 1147TIP3    H240741   3.482   3.218   0.430
 1147TIP3   OH240742   3.366   4.306   1.206
 1147TIP3    H140743   3.344   4.211   1.208
 1147TIP3    H240744   3.285   4.350   1.180
 1147TIP3   OH240745   3.957   4.332   1.162
 1147TIP3    H140746   3.955   4.347   1.065
 1147TIP3    H240747   3.996   4.242   1.167
 1148TIP3   OH240748   3.423   4.024   1.178
 1148TIP3    H140749   3.500   3.966   1.171
 1148TIP3    H240750   3.424   4.045   1.273
 1148TIP3   OH240751   3.903   4.162  -0.299
 1148TIP3    H140752   3.827   4.123  -0.254
 1148TIP3    H240753   3.897   4.110  -0.381
 1148TIP3   OH240754   3.800   3.937   0.923
 1148TIP3    H140755   3.739   4.012   0.934
 1148TIP3    H240756   3.853   3.967   0.848
 1148TIP3   OH240757   4.280   4.196   1.281
 1148TIP3    H140758   4.346   4.175   1.215
 1148TIP3    H240759   4.251   4.108   1.306
 1148TIP3   OH240760   3.858   3.664   1.032
 1148TIP3    H140761   3.862   3.599   0.959
 1148TIP3    H240762   3.839   3.746   0.983
 1148TIP3   OH240763   3.887   3.510   0.773
 1148TIP3    H140764   3.936   3.567   0.710
 1148TIP3    H240765   3.795   3.513   0.738
 1148TIP3   OH240766   4.060   4.064   0.799
 1148TIP3    H140767   4.131   4.059   0.733
 1148TIP3    H240768   4.014   4.144   0.771
 1148TIP3   OH240769   3.669   3.849   1.211
 1148TIP3    H140770   3.618   3.766   1.207
 1148TIP3    H240771   3.750   3.825   1.164
 1148TIP3   OH240772   3.971   3.248   0.811
 1148TIP3    H140773   3.947   3.341   0.792
 1148TIP3    H240774   3.906   3.201   0.755
 1148TIP3   OH240775   4.104   3.692   1.183
 1148TIP3    H140776   4.065   3.672   1.269
 1148TIP3    H240777   4.029   3.671   1.124
 1149TIP3   OH240778   3.540   3.594   1.192
 1149TIP3    H140779   3.531   3.525   1.125
 1149TIP3    H240780   3.516   3.546   1.274
 1149TIP3   OH240781   3.945   3.194   1.092
 1149TIP3    H140782   4.005   3.118   1.096
 1149TIP3    H240783   3.941   3.210   0.996
 1149TIP3   OH240784   4.035   3.373   1.288
 1149TIP3    H140785   4.008   3.319   1.211
 1149TIP3    H240786   3.973   3.448   1.282
 1149TIP3   OH240787   3.272   4.188   0.511
 1149TIP3    H140788   3.281   4.202   0.416
 1149TIP3    H240789   3.362   4.160   0.536
 1149TIP3   OH240790   3.271   3.716   1.136
 1149TIP3    H140791   3.364   3.689   1.133
 1149TIP3    H240792   3.226   3.630   1.139
 1149TIP3   OH240793   3.348   3.547   0.414
 1149TIP3    H140794   3.395   3.462   0.419
 1149TIP3    H240795   3.418   3.607   0.446
 1149TIP3   OH240796   3.203   3.815   0.519
 1149TIP3    H140797   3.261   3.811   0.442
 1149TIP3    H240798   3.236   3.894   0.563
 1149TIP3   OH240799   3.253   3.448  -0.078
 1149TIP3    H140800   3.158   3.454  -0.100
 1149TIP3    H240801   3.294   3.509  -0.142
 1149TIP3   OH240802   3.257   3.338   0.738
 1149TIP3    H140803   3.185   3.310   0.796
 1149TIP3    H240804   3.208   3.389   0.671
 1149TIP3   OH240805   4.268   3.393   0.367
 1149TIP3    H140806   4.182   3.348   0.378
 1149TIP3    H240807   4.293   3.363   0.280
 1150TIP3   OH240808   3.479   3.300   0.121
 1150TIP3    H140809   3.394   3.289   0.074
 1150TIP3    H240810   3.522   3.214   0.103
 1150TIP3   OH240811   3.365   3.249  -0.293
 1150TIP3    H140812   3.415   3.314  -0.347
 1150TIP3    H240813   3.322   3.306  -0.228
 1150TIP3   OH240814   3.935   3.281   0.107
 1150TIP3    H140815   4.027   3.313   0.100
 1150TIP3    H240816   3.927   3.273   0.203
 1150TIP3   OH240817   3.528   3.428  -0.448
 1150TIP3    H140818   3.591   3.385  -0.509
 1150TIP3    H240819   3.589   3.469  -0.384
 1150TIP3   OH240820   4.067   3.447  -0.194
 1150TIP3    H140821   4.062   3.388  -0.118
 1150TIP3    H240822   4.063   3.534  -0.151
 1150TIP3   OH240823   3.460   3.325   1.072
 1150TIP3    H140824   3.420   3.242   1.106
 1150TIP3    H240825   3.553   3.312   1.096
 1150TIP3   OH240826   3.700   3.264   1.246
 1150TIP3    H140827   3.782   3.229   1.206
 1150TIP3    H240828   3.664   3.183   1.286
 1150TIP3   OH240829  -3.160  -3.366   2.030
 1150TIP3    H140830  -3.161  -3.270   2.039
 1150TIP3    H240831  -3.237  -3.380   1.972
 1150TIP3   OH240832  -3.276  -3.422   2.337
 1150TIP3    H140833  -3.276  -3.480   2.415
 1150TIP3    H240834  -3.302  -3.483   2.267
 1150TIP3   OH240835  -4.029  -3.464   2.501
 1150TIP3    H140836  -4.032  -3.537   2.565
 1150TIP3    H240837  -3.959  -3.409   2.539
 1151TIP3   OH240838  -2.907  -3.149   2.169
 1151TIP3    H140839  -2.944  -3.220   2.222
 1151TIP3    H240840  -2.878  -3.087   2.237
 1151TIP3   OH240841  -3.959  -3.002   2.353
 1151TIP3    H140842  -3.987  -3.092   2.326
 1151TIP3    H240843  -3.865  -3.017   2.370
 1151TIP3   OH240844  -4.169  -3.561   1.837
 1151TIP3    H140845  -4.218  -3.496   1.890
 1151TIP3    H240846  -4.220  -3.640   1.860
 1151TIP3   OH240847  -4.211  -3.413   2.079
 1151TIP3    H140848  -4.187  -3.489   2.134
 1151TIP3    H240849  -4.126  -3.386   2.042
 1151TIP3   OH240850  -3.200  -2.613   2.226
 1151TIP3    H140851  -3.142  -2.683   2.192
 1151TIP3    H240852  -3.228  -2.649   2.311
 1151TIP3   OH240853  -3.426  -3.171   2.394
 1151TIP3    H140854  -3.394  -3.243   2.336
 1151TIP3    H240855  -3.344  -3.156   2.445
 1151TIP3   OH240856  -2.571  -4.016   2.450
 1151TIP3    H140857  -2.537  -3.973   2.529
 1151TIP3    H240858  -2.506  -3.988   2.384
 1151TIP3   OH240859  -3.099  -3.740   2.445
 1151TIP3    H140860  -3.078  -3.835   2.447
 1151TIP3    H240861  -3.106  -3.724   2.350
 1151TIP3   OH240862  -3.802  -3.941   2.155
 1151TIP3    H140863  -3.784  -3.856   2.110
 1151TIP3    H240864  -3.832  -3.995   2.080
 1151TIP3   OH240865  -3.011  -3.920   1.989
 1151TIP3    H140866  -2.950  -3.965   2.051
 1151TIP3    H240867  -2.948  -3.878   1.929
 1152TIP3   OH240868  -4.139  -3.660   2.204
 1152TIP3    H140869  -4.081  -3.704   2.269
 1152TIP3    H240870  -4.122  -3.714   2.125
 1152TIP3   OH240871  -3.593  -3.526   2.149
 1152TIP3    H140872  -3.522  -3.580   2.187
 1152TIP3    H240873  -3.643  -3.593   2.099
 1152TIP3   OH240874  -2.477  -3.848   2.715
 1152TIP3    H140875  -2.553  -3.797   2.682
 1152TIP3    H240876  -2.513  -3.889   2.793
 1152TIP3   OH240877  -3.917  -4.051   2.575
 1152TIP3    H140878  -3.957  -4.009   2.497
 1152TIP3    H240879  -3.987  -4.036   2.641
 1152TIP3   OH240880  -3.171  -3.082   1.909
 1152TIP3    H140881  -3.200  -3.104   1.820
 1152TIP3    H240882  -3.216  -2.998   1.926
 1152TIP3   OH240883  -3.625  -3.270   2.581
 1152TIP3    H140884  -3.698  -3.209   2.606
 1152TIP3    H240885  -3.563  -3.210   2.535
 1152TIP3   OH240886  -2.824  -4.013   2.190
 1152TIP3    H140887  -2.871  -4.060   2.260
 1152TIP3    H240888  -2.771  -3.950   2.242
 1152TIP3   OH240889  -3.959  -3.850   2.362
 1152TIP3    H140890  -3.893  -3.792   2.406
 1152TIP3    H240891  -3.903  -3.888   2.290
 1152TIP3   OH240892  -3.827  -3.083   2.655
 1152TIP3    H140893  -3.830  -2.992   2.620
 1152TIP3    H240894  -3.916  -3.089   2.694
 1152TIP3   OH240895  -4.183  -3.119   1.744
 1152TIP3    H140896  -4.263  -3.101   1.692
 1152TIP3    H240897  -4.193  -3.059   1.819
 1153TIP3   OH240898  -2.851  -2.967   2.420
 1153TIP3    H140899  -2.948  -2.955   2.420
 1153TIP3    H240900  -2.823  -2.882   2.381
 1153TIP3   OH240901  -2.808  -4.110   2.591
 1153TIP3    H140902  -2.888  -4.078   2.547
 1153TIP3    H240903  -2.741  -4.097   2.521
 1153TIP3   OH240904  -3.496   4.382   2.298
 1153TIP3    H140905  -3.501   4.286   2.303
 1153TIP3    H240906  -3.586   4.412   2.323
 1153TIP3   OH240907  -3.020  -2.774   2.078
 1153TIP3    H140908  -2.972  -2.853   2.045
 1153TIP3    H240909  -2.953  -2.704   2.063
 1153TIP3   OH240910  -2.877  -2.987   1.939
 1153TIP3    H140911  -2.925  -3.033   1.868
 1153TIP3    H240912  -2.882  -3.052   2.011
 1153TIP3   OH240913  -2.723  -3.104   2.785
 1153TIP3    H140914  -2.732  -3.170   2.714
 1153TIP3    H240915  -2.708  -3.022   2.736
 1153TIP3   OH240916  -3.296  -3.414   1.756
 1153TIP3    H140917  -3.362  -3.354   1.717
 1153TIP3    H240918  -3.224  -3.410   1.691
 1153TIP3   OH240919  -3.267  -3.596   1.462
 1153TIP3    H140920  -3.197  -3.565   1.522
 1153TIP3    H240921  -3.215  -3.653   1.403
 1153TIP3   OH240922  -2.546  -3.488   2.580
 1153TIP3    H140923  -2.618  -3.422   2.588
 1153TIP3    H240924  -2.498  -3.454   2.502
 1153TIP3   OH240925  -2.944  -3.414   1.864
 1153TIP3    H140926  -3.012  -3.393   1.931
 1153TIP3    H240927  -2.884  -3.471   1.916
 1154TIP3   OH240928  -2.960  -3.562   2.747
 1154TIP3    H140929  -2.954  -3.480   2.799
 1154TIP3    H240930  -3.025  -3.532   2.680
 1154TIP3   OH240931  -3.783  -3.336   2.040
 1154TIP3    H140932  -3.815  -3.380   1.959
 1154TIP3    H240933  -3.718  -3.401   2.073
 1154TIP3   OH240934  -3.648  -2.998   2.316
 1154TIP3    H140935  -3.659  -3.034   2.227
 1154TIP3    H240936  -3.568  -3.044   2.346
 1154TIP3   OH240937  -3.727  -3.455   2.390
 1154TIP3    H140938  -3.670  -3.454   2.310
 1154TIP3    H240939  -3.685  -3.389   2.448
 1154TIP3   OH240940  -3.134  -2.904   2.448
 1154TIP3    H140941  -3.128  -2.838   2.520
 1154TIP3    H240942  -3.154  -2.987   2.494
 1154TIP3   OH240943  -3.642  -3.023   2.874
 1154TIP3    H140944  -3.696  -2.957   2.920
 1154TIP3    H240945  -3.704  -3.052   2.804
 1154TIP3   OH240946  -3.049  -3.470   1.610
 1154TIP3    H140947  -3.001  -3.443   1.691
 1154TIP3    H240948  -2.999  -3.420   1.541
 1154TIP3   OH240949  -3.956  -3.390   2.789
 1154TIP3    H140950  -3.948  -3.330   2.866
 1154TIP3    H240951  -4.052  -3.394   2.778
 1154TIP3   OH240952  -3.303  -2.810   1.966
 1154TIP3    H140953  -3.256  -2.780   2.044
 1154TIP3    H240954  -3.352  -2.731   1.938
 1154TIP3   OH240955  -3.835  -2.807   2.960
 1154TIP3    H140956  -3.841  -2.801   2.862
 1154TIP3    H240957  -3.927  -2.827   2.985
 1155TIP3   OH240958  -2.730  -4.303   1.534
 1155TIP3    H140959  -2.765  -4.324   1.621
 1155TIP3    H240960  -2.647  -4.261   1.558
 1155TIP3   OH240961  -3.891  -3.465   1.792
 1155TIP3    H140962  -3.917  -3.389   1.738
 1155TIP3    H240963  -3.971  -3.521   1.785
 1155TIP3   OH240964  -2.568  -2.883   1.415
 1155TIP3    H140965  -2.552  -2.788   1.436
 1155TIP3    H240966  -2.481  -2.922   1.433
 1155TIP3   OH240967  -4.267  -3.181   2.647
 1155TIP3    H140968  -4.286  -3.214   2.558
 1155TIP3    H240969  -4.306  -3.250   2.702
 1155TIP3   OH240970  -4.281  -2.900   2.343
 1155TIP3    H140971  -4.197  -2.944   2.362
 1155TIP3    H240972  -4.299  -2.853   2.425
 1155TIP3   OH240973  -2.444  -2.842   2.938
 1155TIP3    H140974  -2.454  -2.937   2.920
 1155TIP3    H240975  -2.535  -2.819   2.968
 1155TIP3   OH240976  -3.378  -2.919   2.818
 1155TIP3    H140977  -3.372  -2.838   2.872
 1155TIP3    H240978  -3.469  -2.949   2.838
 1155TIP3   OH240979  -3.352  -2.537   1.814
 1155TIP3    H140980  -3.348  -2.530   1.717
 1155TIP3    H240981  -3.342  -2.446   1.844
 1155TIP3   OH240982  -3.978  -2.624   1.978
 1155TIP3    H140983  -3.954  -2.666   2.063
 1155TIP3    H240984  -4.055  -2.678   1.955
 1155TIP3   OH240985  -3.019  -2.595   1.533
 1155TIP3    H140986  -2.961  -2.660   1.488
 1155TIP3    H240987  -3.023  -2.635   1.623
 1156TIP3   OH240988  -3.080  -2.653   1.814
 1156TIP3    H140989  -3.176  -2.641   1.827
 1156TIP3    H240990  -3.063  -2.726   1.876
 1156TIP3   OH240991  -2.764  -3.708   2.977
 1156TIP3    H140992  -2.813  -3.669   2.904
 1156TIP3    H240993  -2.756  -3.801   2.948
 1156TIP3   OH240994  -4.072  -3.040   2.796
 1156TIP3    H140995  -4.042  -3.099   2.867
 1156TIP3    H240996  -4.147  -3.090   2.756
 1156TIP3   OH240997  -3.753  -4.221   2.383
 1156TIP3    H140998  -3.839  -4.230   2.341
 1156TIP3    H240999  -3.764  -4.135   2.427
 1156TIP3   OH241000  -3.290  -4.261   2.741
 1156TIP3    H141001  -3.271  -4.310   2.822
 1156TIP3    H241002  -3.385  -4.278   2.730
 1156TIP3   OH241003  -2.994  -3.864   2.782
 1156TIP3    H141004  -3.052  -3.875   2.860
 1156TIP3    H241005  -2.999  -3.768   2.764
 1156TIP3   OH241006  -2.893  -3.363   1.410
 1156TIP3    H141007  -2.914  -3.380   1.316
 1156TIP3    H241008  -2.799  -3.338   1.403
 1156TIP3   OH241009  -3.330  -3.993   1.455
 1156TIP3    H141010  -3.383  -4.004   1.536
 1156TIP3    H241011  -3.378  -4.054   1.396
 1156TIP3   OH241012  -3.760  -3.714   2.509
 1156TIP3    H141013  -3.822  -3.704   2.584
 1156TIP3    H241014  -3.755  -3.624   2.473
 1156TIP3   OH241015  -3.769  -3.709   1.998
 1156TIP3    H141016  -3.865  -3.715   1.980
 1156TIP3    H241017  -3.733  -3.726   1.909
 1157TIP3   OH241018  -3.205  -3.651   1.875
 1157TIP3    H141019  -3.247  -3.569   1.841
 1157TIP3    H241020  -3.138  -3.668   1.806
 1157TIP3   OH241021  -3.288  -3.630   3.011
 1157TIP3    H141022  -3.338  -3.707   3.046
 1157TIP3    H241023  -3.200  -3.644   3.051
 1157TIP3   OH241024  -3.121  -3.711   2.153
 1157TIP3    H141025  -3.150  -3.654   2.079
 1157TIP3    H241026  -3.099  -3.792   2.102
 1157TIP3   OH241027  -4.025  -3.697   2.692
 1157TIP3    H141028  -3.996  -3.664   2.778
 1157TIP3    H241029  -4.052  -3.789   2.715
 1157TIP3   OH241030  -3.689  -3.940   1.351
 1157TIP3    H141031  -3.724  -3.979   1.434
 1157TIP3    H241032  -3.769  -3.927   1.298
 1157TIP3   OH241033  -4.325  -3.942   2.057
 1157TIP3    H141034  -4.305  -3.969   2.149
 1157TIP3    H241035  -4.288  -4.014   2.005
 1157TIP3   OH241036  -4.214  -3.882   1.645
 1157TIP3    H141037  -4.152  -3.861   1.572
 1157TIP3    H241038  -4.298  -3.863   1.602
 1157TIP3   OH241039  -3.211  -3.543   2.599
 1157TIP3    H141040  -3.168  -3.616   2.548
 1157TIP3    H241041  -3.244  -3.591   2.676
 1157TIP3   OH241042  -3.490  -3.940   2.098
 1157TIP3    H141043  -3.583  -3.960   2.117
 1157TIP3    H241044  -3.446  -3.972   2.178
 1157TIP3   OH241045  -4.038  -3.824   1.965
 1157TIP3    H141046  -4.122  -3.819   1.917
 1157TIP3    H241047  -4.000  -3.907   1.929
 1158TIP3   OH241048  -3.672  -3.791   1.737
 1158TIP3    H141049  -3.575  -3.785   1.741
 1158TIP3    H241050  -3.696  -3.731   1.665
 1158TIP3   OH241051  -3.056  -4.033   2.402
 1158TIP3    H141052  -3.120  -4.035   2.476
 1158TIP3    H241053  -3.113  -4.063   2.329
 1158TIP3   OH241054  -3.825  -3.669   1.511
 1158TIP3    H141055  -3.882  -3.699   1.439
 1158TIP3    H241056  -3.743  -3.648   1.463
 1158TIP3   OH241057  -2.751  -2.454   3.069
 1158TIP3    H141058  -2.727  -2.412   2.984
 1158TIP3    H241059  -2.677  -2.428   3.126
 1158TIP3   OH241060  -3.950  -3.196   3.013
 1158TIP3    H141061  -3.890  -3.188   3.089
 1158TIP3    H241062  -4.036  -3.187   3.058
 1158TIP3   OH241063  -3.388  -3.693   2.283
 1158TIP3    H141064  -3.317  -3.737   2.234
 1158TIP3    H241065  -3.405  -3.757   2.356
 1158TIP3   OH241066  -3.880  -4.061   1.905
 1158TIP3    H141067  -3.921  -4.148   1.918
 1158TIP3    H241068  -3.794  -4.084   1.867
 1158TIP3   OH241069  -3.493  -3.849   2.508
 1158TIP3    H141070  -3.568  -3.788   2.507
 1158TIP3    H241071  -3.443  -3.823   2.588
 1158TIP3   OH241072  -3.480  -3.207   1.696
 1158TIP3    H141073  -3.555  -3.260   1.661
 1158TIP3    H241074  -3.497  -3.205   1.792
 1158TIP3   OH241075  -2.756  -3.293   2.570
 1158TIP3    H141076  -2.705  -3.239   2.505
 1158TIP3    H241077  -2.841  -3.305   2.524
 1159TIP3   OH241078  -3.062  -3.932   1.460
 1159TIP3    H141079  -3.160  -3.938   1.461
 1159TIP3    H241080  -3.043  -3.862   1.525
 1159TIP3   OH241081  -3.313  -3.208   2.829
 1159TIP3    H141082  -3.343  -3.241   2.914
 1159TIP3    H241083  -3.344  -3.116   2.829
 1159TIP3   OH241084  -2.996  -3.749   1.674
 1159TIP3    H141085  -2.909  -3.763   1.716
 1159TIP3    H241086  -2.985  -3.660   1.635
 1159TIP3   OH241087  -3.973  -3.275   2.270
 1159TIP3    H141088  -3.909  -3.285   2.197
 1159TIP3    H241089  -3.961  -3.359   2.318
 1159TIP3   OH241090  -3.238  -3.073   1.589
 1159TIP3    H141091  -3.264  -2.987   1.628
 1159TIP3    H241092  -3.313  -3.129   1.616
 1159TIP3   OH241093  -4.239  -3.425   2.833
 1159TIP3    H141094  -4.231  -3.491   2.904
 1159TIP3    H241095  -4.287  -3.476   2.764
 1159TIP3   OH241096  -3.540  -3.491   3.004
 1159TIP3    H141097  -3.576  -3.517   2.917
 1159TIP3    H241098  -3.448  -3.521   2.994
 1159TIP3   OH241099  -3.087  -2.948   2.776
 1159TIP3    H141100  -3.183  -2.941   2.770
 1159TIP3    H241101  -3.071  -2.924   2.869
 1159TIP3   OH241102  -2.533  -3.746   1.652
 1159TIP3    H141103  -2.591  -3.766   1.576
 1159TIP3    H241104  -2.524  -3.650   1.639
 1159TIP3   OH241105  -2.489  -3.140   2.933
 1159TIP3    H141106  -2.583  -3.119   2.914
 1159TIP3    H241107  -2.456  -3.158   2.843
 1160TIP3   OH241108  -2.715  -2.884   1.663
 1160TIP3    H141109  -2.734  -2.963   1.715
 1160TIP3    H241110  -2.661  -2.918   1.590
 1160TIP3   OH241111  -2.990  -3.350   2.401
 1160TIP3    H141112  -3.083  -3.366   2.376
 1160TIP3    H241113  -2.946  -3.422   2.352
 1160TIP3   OH241114  -3.727  -2.941   2.007
 1160TIP3    H141115  -3.685  -2.855   1.992
 1160TIP3    H241116  -3.819  -2.924   1.980
 1160TIP3   OH241117  -4.155  -3.447   1.475
 1160TIP3    H141118  -4.081  -3.395   1.514
 1160TIP3    H241119  -4.228  -3.387   1.492
 1160TIP3   OH241120  -3.543  -3.173   1.968
 1160TIP3    H141121  -3.573  -3.082   1.982
 1160TIP3    H241122  -3.614  -3.223   2.009
 1160TIP3   OH241123  -3.526  -2.746   2.603
 1160TIP3    H141124  -3.470  -2.673   2.572
 1160TIP3    H241125  -3.463  -2.798   2.655
 1160TIP3   OH241126  -3.681  -2.652   1.927
 1160TIP3    H141127  -3.777  -2.638   1.933
 1160TIP3    H241128  -3.646  -2.564   1.949
 1160TIP3   OH241129  -3.185  -3.171   2.559
 1160TIP3    H141130  -3.214  -3.201   2.647
 1160TIP3    H241131  -3.112  -3.233   2.540
 1160TIP3   OH241132  -2.969  -3.042   1.451
 1160TIP3    H141133  -2.926  -3.087   1.526
 1160TIP3    H241134  -3.062  -3.056   1.476
 1160TIP3   OH241135  -2.893  -2.713   2.800
 1160TIP3    H141136  -2.967  -2.760   2.756
 1160TIP3    H241137  -2.881  -2.635   2.742
 1161TIP3   OH241138  -2.495  -2.615   1.505
 1161TIP3    H141139  -2.426  -2.552   1.480
 1161TIP3    H241140  -2.572  -2.555   1.503
 1161TIP3   OH241141  -4.107  -3.960   2.770
 1161TIP3    H141142  -4.196  -3.927   2.754
 1161TIP3    H241143  -4.125  -4.048   2.811
 1161TIP3   OH241144  -2.872  -3.179   1.691
 1161TIP3    H141145  -2.899  -3.253   1.749
 1161TIP3    H241146  -2.775  -3.183   1.697
 1161TIP3   OH241147  -4.128  -2.799   2.611
 1161TIP3    H141148  -4.109  -2.894   2.620
 1161TIP3    H241149  -4.095  -2.766   2.695
 1161TIP3   OH241150  -3.545  -2.936   1.308
 1161TIP3    H141151  -3.515  -3.014   1.258
 1161TIP3    H241152  -3.587  -2.978   1.385
 1161TIP3   OH241153  -3.664  -2.986   1.581
 1161TIP3    H141154  -3.610  -3.039   1.642
 1161TIP3    H241155  -3.647  -2.894   1.613
 1161TIP3   OH241156  -3.987  -3.244   1.612
 1161TIP3    H141157  -4.057  -3.203   1.670
 1161TIP3    H241158  -3.937  -3.164   1.590
 1161TIP3   OH241159  -3.217  -4.006   2.632
 1161TIP3    H141160  -3.151  -3.981   2.698
 1161TIP3    H241161  -3.251  -4.091   2.665
 1161TIP3   OH241162  -3.139  -4.056   1.745
 1161TIP3    H141163  -3.128  -3.998   1.668
 1161TIP3    H241164  -3.099  -4.002   1.816
 1161TIP3   OH241165  -3.365  -2.821   1.643
 1161TIP3    H141166  -3.447  -2.773   1.659
 1161TIP3    H241167  -3.329  -2.776   1.565
 1162TIP3   OH241168  -3.403  -3.851   1.844
 1162TIP3    H141169  -3.329  -3.789   1.858
 1162TIP3    H241170  -3.432  -3.867   1.937
 1162TIP3   OH241171  -3.370  -3.761   2.757
 1162TIP3    H141172  -3.360  -3.710   2.839
 1162TIP3    H241173  -3.313  -3.837   2.773
 1162TIP3   OH241174  -3.331  -4.174   1.943
 1162TIP3    H141175  -3.364  -4.099   1.996
 1162TIP3    H241176  -3.275  -4.128   1.878
 1162TIP3   OH241177  -3.645  -2.715   1.642
 1162TIP3    H141178  -3.652  -2.634   1.588
 1162TIP3    H241179  -3.657  -2.680   1.732
 1162TIP3   OH241180  -3.776  -4.050   1.597
 1162TIP3    H141181  -3.771  -3.967   1.647
 1162TIP3    H241182  -3.688  -4.087   1.618
 1162TIP3   OH241183  -2.731  -3.963   2.839
 1162TIP3    H141184  -2.828  -3.952   2.829
 1162TIP3    H241185  -2.710  -3.989   2.748
 1162TIP3   OH241186  -2.890  -3.573   2.250
 1162TIP3    H141187  -2.971  -3.619   2.221
 1162TIP3    H241188  -2.841  -3.645   2.295
 1162TIP3   OH241189  -3.931  -2.957   1.495
 1162TIP3    H141190  -3.854  -2.915   1.537
 1162TIP3    H241191  -3.886  -3.014   1.431
 1162TIP3   OH241192  -4.118  -3.749   1.415
 1162TIP3    H141193  -4.106  -3.654   1.430
 1162TIP3    H241194  -4.191  -3.753   1.353
 1162TIP3   OH241195  -2.789  -2.688   2.389
 1162TIP3    H141196  -2.805  -2.607   2.336
 1162TIP3    H241197  -2.695  -2.675   2.412
 1163TIP3   OH241198  -4.075  -4.237   2.307
 1163TIP3    H141199  -4.060  -4.257   2.214
 1163TIP3    H241200  -4.112  -4.321   2.338
 1163TIP3   OH241201  -4.134  -2.876   1.914
 1163TIP3    H141202  -4.227  -2.848   1.918
 1163TIP3    H241203  -4.106  -2.841   1.829
 1163TIP3   OH241204  -4.214  -2.604   3.032
 1163TIP3    H141205  -4.152  -2.605   3.107
 1163TIP3    H241206  -4.218  -2.700   3.017
 1163TIP3   OH241207  -3.689  -2.689   3.225
 1163TIP3    H141208  -3.647  -2.777   3.224
 1163TIP3    H241209  -3.740  -2.694   3.143
 1163TIP3   OH241210  -3.323  -2.767   1.360
 1163TIP3    H141211  -3.397  -2.829   1.348
 1163TIP3    H241212  -3.250  -2.819   1.321
 1163TIP3   OH241213  -3.090  -2.853   3.075
 1163TIP3    H141214  -3.126  -2.938   3.106
 1163TIP3    H241215  -3.013  -2.842   3.133
 1163TIP3   OH241216  -2.861  -2.775   1.370
 1163TIP3    H141217  -2.843  -2.856   1.419
 1163TIP3    H241218  -2.783  -2.769   1.311
 1163TIP3   OH241219  -4.198  -3.201   3.093
 1163TIP3    H141220  -4.191  -3.290   3.058
 1163TIP3    H241221  -4.286  -3.174   3.063
 1163TIP3   OH241222  -3.781  -3.194   1.342
 1163TIP3    H141223  -3.761  -3.252   1.418
 1163TIP3    H241224  -3.695  -3.196   1.295
 1163TIP3   OH241225  -3.542  -3.215   3.076
 1163TIP3    H141226  -3.569  -3.183   2.988
 1163TIP3    H241227  -3.530  -3.311   3.060
 1164TIP3   OH241228  -3.259  -3.061   1.304
 1164TIP3    H141229  -3.260  -3.065   1.401
 1164TIP3    H241230  -3.261  -3.157   1.282
 1164TIP3   OH241231  -3.001  -3.254   2.814
 1164TIP3    H141232  -2.922  -3.201   2.793
 1164TIP3    H241233  -3.071  -3.186   2.810
 1164TIP3   OH241234  -4.135  -3.530   3.073
 1164TIP3    H141235  -4.054  -3.584   3.062
 1164TIP3    H241236  -4.124  -3.500   3.165
 1164TIP3   OH241237  -3.674  -3.384   1.575
 1164TIP3    H141238  -3.734  -3.436   1.632
 1164TIP3    H241239  -3.642  -3.452   1.513
 1164TIP3   OH241240  -3.750  -3.608   2.802
 1164TIP3    H141241  -3.805  -3.529   2.818
 1164TIP3    H241242  -3.685  -3.574   2.739
 1164TIP3   OH241243  -3.576  -3.583   1.401
 1164TIP3    H141244  -3.579  -3.574   1.304
 1164TIP3    H241245  -3.480  -3.588   1.418
 1164TIP3   OH241246  -3.218  -3.336   3.159
 1164TIP3    H141247  -3.129  -3.355   3.125
 1164TIP3    H241248  -3.244  -3.422   3.194
 1164TIP3   OH241249  -2.625  -3.333   1.331
 1164TIP3    H141250  -2.638  -3.372   1.243
 1164TIP3    H241251  -2.634  -3.238   1.309
 1164TIP3   OH241252  -3.693  -3.881   2.912
 1164TIP3    H141253  -3.683  -3.945   2.840
 1164TIP3    H241254  -3.711  -3.798   2.863
 1164TIP3   OH241255  -3.651  -4.037   2.654
 1164TIP3    H141256  -3.600  -3.981   2.592
 1164TIP3    H241257  -3.743  -4.027   2.621
 1165TIP3   OH241258  -3.501  -3.487   2.701
 1165TIP3    H141259  -3.418  -3.496   2.652
 1165TIP3    H241260  -3.533  -3.400   2.669
 1165TIP3   OH241261  -3.045  -3.693   3.178
 1165TIP3    H141262  -3.024  -3.786   3.194
 1165TIP3    H241263  -2.955  -3.655   3.173
 1165TIP3   OH241264  -2.948  -3.415   3.027
 1165TIP3    H141265  -2.981  -3.353   2.958
 1165TIP3    H241266  -2.858  -3.431   2.992
 1165TIP3   OH241267  -3.879  -3.691   3.091
 1165TIP3    H141268  -3.928  -3.775   3.093
 1165TIP3    H241269  -3.797  -3.718   3.048
 1165TIP3   OH241270  -3.606  -4.277   2.776
 1165TIP3    H141271  -3.592  -4.187   2.740
 1165TIP3    H241272  -3.700  -4.288   2.754
 1165TIP3   OH241273  -3.457  -3.842   3.072
 1165TIP3    H141274  -3.488  -3.872   3.159
 1165TIP3    H241275  -3.538  -3.863   3.019
 1165TIP3   OH241276  -3.197  -3.943   2.971
 1165TIP3    H141277  -3.287  -3.932   3.007
 1165TIP3    H241278  -3.160  -4.010   3.032
 1165TIP3   OH241279  -3.026  -4.136   3.138
 1165TIP3    H141280  -3.039  -4.224   3.176
 1165TIP3    H241281  -3.039  -4.077   3.214
 1165TIP3   OH241282  -4.003  -3.953   3.079
 1165TIP3    H141283  -4.024  -4.020   3.012
 1165TIP3    H241284  -4.039  -3.993   3.160
 1165TIP3   OH241285  -3.494  -4.145   3.181
 1165TIP3    H141286  -3.515  -4.229   3.135
 1165TIP3    H241287  -3.581  -4.102   3.186
 1166TIP3   OH241288  -3.600  -2.458   1.512
 1166TIP3    H141289  -3.504  -2.450   1.523
 1166TIP3    H241290  -3.611  -2.416   1.425
 1166TIP3   OH241291  -4.199  -2.970   1.419
 1166TIP3    H141292  -4.121  -2.976   1.478
 1166TIP3    H241293  -4.217  -3.063   1.398
 1166TIP3   OH241294  -4.275  -2.690   2.133
 1166TIP3    H141295  -4.276  -2.780   2.170
 1166TIP3    H241296  -4.242  -2.641   2.210
 1166TIP3   OH241297  -2.516  -2.570   2.438
 1166TIP3    H141298  -2.498  -2.576   2.533
 1166TIP3    H241299  -2.430  -2.543   2.403
 1166TIP3   OH241300  -2.527  -2.627   2.726
 1166TIP3    H141301  -2.577  -2.703   2.689
 1166TIP3    H241302  -2.470  -2.674   2.789
 1166TIP3   OH241303  -2.727  -3.082   3.153
 1166TIP3    H141304  -2.814  -3.075   3.197
 1166TIP3    H241305  -2.681  -3.003   3.186
 1166TIP3   OH241306  -2.587  -3.194   1.728
 1166TIP3    H141307  -2.496  -3.162   1.743
 1166TIP3    H241308  -2.594  -3.259   1.801
 1166TIP3   OH241309  -2.541  -3.397   1.925
 1166TIP3    H141310  -2.607  -3.455   1.968
 1166TIP3    H241311  -2.472  -3.387   1.994
 1166TIP3   OH241312  -2.568  -3.149   2.423
 1166TIP3    H141313  -2.506  -3.198   2.367
 1166TIP3    H241314  -2.553  -3.057   2.393
 1166TIP3   OH241315  -2.696  -2.856   2.647
 1166TIP3    H141316  -2.769  -2.818   2.697
 1166TIP3    H241317  -2.741  -2.893   2.569
 1167TIP3   OH241318  -2.515  -3.454   1.584
 1167TIP3    H141319  -2.566  -3.427   1.505
 1167TIP3    H241320  -2.528  -3.378   1.642
 1167TIP3   OH241321  -2.688  -3.698   1.410
 1167TIP3    H141322  -2.660  -3.640   1.337
 1167TIP3    H241323  -2.714  -3.779   1.363
 1167TIP3   OH241324  -2.746  -3.584   2.007
 1167TIP3    H141325  -2.753  -3.679   1.988
 1167TIP3    H241326  -2.785  -3.577   2.097
 1167TIP3   OH241327  -4.256  -3.334   2.404
 1167TIP3    H141328  -4.225  -3.315   2.313
 1167TIP3    H241329  -4.176  -3.376   2.442
 1167TIP3   OH241330  -2.686  -3.392   2.922
 1167TIP3    H141331  -2.613  -3.455   2.938
 1167TIP3    H241332  -2.640  -3.310   2.902
 1167TIP3   OH241333  -2.531  -3.584   3.044
 1167TIP3    H141334  -2.610  -3.637   3.020
 1167TIP3    H241335  -2.461  -3.651   3.041
 1167TIP3   OH241336  -2.750  -3.963   1.334
 1167TIP3    H141337  -2.685  -4.015   1.384
 1167TIP3    H241338  -2.827  -4.021   1.336
 1167TIP3   OH241339  -2.763  -3.827   1.827
 1167TIP3    H141340  -2.746  -3.924   1.832
 1167TIP3    H241341  -2.681  -3.798   1.784
 1167TIP3   OH241342  -2.738  -3.773   2.365
 1167TIP3    H141343  -2.640  -3.768   2.363
 1167TIP3    H241344  -2.751  -3.776   2.461
 1167TIP3   OH241345  -2.723  -3.706   2.652
 1167TIP3    H141346  -2.807  -3.664   2.676
 1167TIP3    H241347  -2.667  -3.629   2.628
 1168TIP3   OH241348  -4.282  -3.839   3.029
 1168TIP3    H141349  -4.200  -3.881   3.003
 1168TIP3    H241350  -4.346  -3.912   3.030
 1168TIP3   OH241351  -2.506  -4.277   3.228
 1168TIP3    H141352  -2.458  -4.357   3.205
 1168TIP3    H241353  -2.504  -4.218   3.149
 1168TIP3   OH241354  -2.734  -4.098   1.835
 1168TIP3    H141355  -2.707  -4.152   1.912
 1168TIP3    H241356  -2.793  -4.160   1.789
 1168TIP3   OH241357  -4.193  -3.989   2.318
 1168TIP3    H141358  -4.160  -4.081   2.328
 1168TIP3    H241359  -4.114  -3.938   2.342
 1168TIP3   OH241360  -4.332  -3.727   2.413
 1168TIP3    H141361  -4.293  -3.778   2.340
 1168TIP3    H241362  -4.314  -3.636   2.383
 1168TIP3   OH241363  -2.527  -4.111   3.012
 1168TIP3    H141364  -2.613  -4.064   3.020
 1168TIP3    H241365  -2.537  -4.147   2.922
 1168TIP3   OH241366  -2.514  -4.072   1.490
 1168TIP3    H141367  -2.491  -4.150   1.437
 1168TIP3    H241368  -2.434  -4.019   1.487
 1168TIP3   OH241369  -4.314  -4.108   1.768
 1168TIP3    H141370  -4.397  -4.078   1.729
 1168TIP3    H241371  -4.254  -4.037   1.735
 1168TIP3   OH241372  -2.828  -2.566   2.019
 1168TIP3    H141373  -2.783  -2.591   1.936
 1168TIP3    H241374  -2.754  -2.530   2.070
 1168TIP3   OH241375  -4.283  -4.167   2.602
 1168TIP3    H141376  -4.348  -4.214   2.659
 1168TIP3    H241377  -4.326  -4.166   2.516
 1169TIP3   OH241378  -4.117  -2.862   3.069
 1169TIP3    H141379  -4.166  -2.924   3.015
 1169TIP3    H241380  -4.134  -2.897   3.159
 1169TIP3   OH241381  -3.802  -2.795   2.662
 1169TIP3    H141382  -3.834  -2.713   2.621
 1169TIP3    H241383  -3.706  -2.787   2.642
 1169TIP3   OH241384  -3.354  -2.664   2.973
 1169TIP3    H141385  -3.326  -2.693   3.061
 1169TIP3    H241386  -3.272  -2.624   2.939
 1169TIP3   OH241387  -3.128  -2.526   2.884
 1169TIP3    H141388  -3.058  -2.587   2.856
 1169TIP3    H241389  -3.092  -2.493   2.969
 1169TIP3   OH241390  -2.665  -4.276   2.803
 1169TIP3    H141391  -2.715  -4.214   2.747
 1169TIP3    H241392  -2.644  -4.344   2.737
 1169TIP3   OH241393  -4.069  -2.491   2.683
 1169TIP3    H141394  -4.138  -2.443   2.634
 1169TIP3    H241395  -4.103  -2.485   2.773
 1169TIP3   OH241396  -3.818  -2.524   2.548
 1169TIP3    H141397  -3.905  -2.506   2.588
 1169TIP3    H241398  -3.815  -2.459   2.476
 1169TIP3   OH241399  -3.342  -2.526   2.502
 1169TIP3    H141400  -3.379  -2.483   2.422
 1169TIP3    H241401  -3.332  -2.450   2.562
 1169TIP3   OH241402  -3.108  -2.654   2.595
 1169TIP3    H141403  -3.192  -2.618   2.559
 1169TIP3    H241404  -3.050  -2.577   2.589
 1169TIP3   OH241405  -2.856  -2.481   2.612
 1169TIP3    H141406  -2.859  -2.386   2.589
 1169TIP3    H241407  -2.826  -2.518   2.527
 1170TIP3   OH241408  -4.124  -2.615   2.381
 1170TIP3    H141409  -4.134  -2.662   2.466
 1170TIP3    H241410  -4.050  -2.665   2.341
 1170TIP3   OH241411  -3.911  -2.743   2.233
 1170TIP3    H141412  -3.926  -2.836   2.258
 1170TIP3    H241413  -3.819  -2.729   2.264
 1170TIP3   OH241414  -3.630  -2.701   2.317
 1170TIP3    H141415  -3.612  -2.793   2.293
 1170TIP3    H241416  -3.624  -2.706   2.414
 1170TIP3   OH241417  -3.300  -4.112   2.246
 1170TIP3    H141418  -3.363  -4.182   2.274
 1170TIP3    H241419  -3.240  -4.161   2.188
 1170TIP3   OH241420  -2.772  -4.330   2.292
 1170TIP3    H141421  -2.711  -4.290   2.227
 1170TIP3    H241422  -2.859  -4.305   2.258
 1170TIP3   OH241423  -2.577  -4.225   2.075
 1170TIP3    H141424  -2.521  -4.248   2.000
 1170TIP3    H241425  -2.558  -4.130   2.086
 1170TIP3   OH241426  -4.074  -4.281   1.980
 1170TIP3    H141427  -4.160  -4.316   1.954
 1170TIP3    H241428  -4.027  -4.360   2.010
 1170TIP3   OH241429  -4.206  -4.301   1.585
 1170TIP3    H141430  -4.169  -4.234   1.525
 1170TIP3    H241431  -4.259  -4.244   1.645
 1170TIP3   OH241432  -3.614  -4.219   2.011
 1170TIP3    H141433  -3.522  -4.234   1.984
 1170TIP3    H241434  -3.634  -4.297   2.064
 1170TIP3   OH241435  -3.060  -4.265   2.141
 1170TIP3    H141436  -3.025  -4.261   2.051
 1170TIP3    H241437  -3.072  -4.359   2.156
 1171TIP3   OH241438  -2.953  -4.272   1.747
 1171TIP3    H141439  -3.026  -4.214   1.716
 1171TIP3    H241440  -2.988  -4.361   1.732
 1171TIP3   OH241441  -4.189  -2.691   1.689
 1171TIP3    H141442  -4.248  -2.712   1.615
 1171TIP3    H241443  -4.182  -2.595   1.683
 1171TIP3   OH241444  -4.010  -4.115   1.446
 1171TIP3    H141445  -3.944  -4.156   1.388
 1171TIP3    H241446  -3.950  -4.070   1.510
 1171TIP3   OH241447  -3.493  -4.060   1.676
 1171TIP3    H141448  -3.483  -4.143   1.727
 1171TIP3    H241449  -3.470  -3.991   1.741
 1171TIP3   OH241450  -3.296  -2.514   1.520
 1171TIP3    H141451  -3.198  -2.511   1.515
 1171TIP3    H241452  -3.314  -2.579   1.451
 1171TIP3   OH241453  -2.647  -2.610   1.778
 1171TIP3    H141454  -2.668  -2.695   1.735
 1171TIP3    H241455  -2.645  -2.549   1.702
 1171TIP3   OH241456  -4.116  -4.179   2.932
 1171TIP3    H141457  -4.169  -4.250   2.974
 1171TIP3    H241458  -4.034  -4.229   2.919
 1171TIP3   OH241459  -3.808  -4.278   3.184
 1171TIP3    H141460  -3.723  -4.305   3.143
 1171TIP3    H241461  -3.828  -4.356   3.237
 1171TIP3   OH241462  -4.012  -2.592   1.385
 1171TIP3    H141463  -4.039  -2.576   1.477
 1171TIP3    H241464  -3.941  -2.658   1.396
 1171TIP3   OH241465  -2.697  -2.735   3.018
 1171TIP3    H141466  -2.770  -2.754   2.956
 1171TIP3    H241467  -2.712  -2.641   3.036
 1172TIP3   OH241468  -1.275  -3.367   2.030
 1172TIP3    H141469  -1.274  -3.271   2.041
 1172TIP3    H241470  -1.352  -3.379   1.973
 1172TIP3   OH241471  -1.388  -3.423   2.337
 1172TIP3    H141472  -1.391  -3.480   2.415
 1172TIP3    H241473  -1.417  -3.484   2.268
 1172TIP3   OH241474  -2.141  -3.464   2.503
 1172TIP3    H141475  -2.144  -3.539   2.566
 1172TIP3    H241476  -2.071  -3.410   2.542
 1172TIP3   OH241477  -1.022  -3.150   2.169
 1172TIP3    H141478  -1.059  -3.219   2.225
 1172TIP3    H241479  -0.993  -3.086   2.235
 1172TIP3   OH241480  -2.077  -3.000   2.354
 1172TIP3    H141481  -2.100  -3.092   2.329
 1172TIP3    H241482  -1.984  -3.012   2.377
 1172TIP3   OH241483  -2.377  -3.661   1.893
 1172TIP3    H141484  -2.418  -3.573   1.901
 1172TIP3    H241485  -2.449  -3.711   1.852
 1172TIP3   OH241486  -2.296  -3.413   2.079
 1172TIP3    H141487  -2.282  -3.497   2.127
 1172TIP3    H241488  -2.213  -3.405   2.031
 1172TIP3   OH241489  -1.321  -2.618   2.221
 1172TIP3    H141490  -1.256  -2.685   2.194
 1172TIP3    H241491  -1.342  -2.646   2.311
 1172TIP3   OH241492  -1.541  -3.171   2.393
 1172TIP3    H141493  -1.508  -3.243   2.336
 1172TIP3    H241494  -1.460  -3.155   2.445
 1172TIP3   OH241495  -0.680  -4.006   2.464
 1172TIP3    H141496  -0.670  -3.922   2.512
 1172TIP3    H241497  -0.616  -3.990   2.391
 1173TIP3   OH241498  -1.211  -3.741   2.446
 1173TIP3    H141499  -1.195  -3.837   2.445
 1173TIP3    H241500  -1.221  -3.723   2.351
 1173TIP3   OH241501  -1.916  -3.941   2.155
 1173TIP3    H141502  -1.900  -3.856   2.109
 1173TIP3    H241503  -1.949  -3.995   2.080
 1173TIP3   OH241504  -1.125  -3.921   1.988
 1173TIP3    H141505  -1.064  -3.965   2.050
 1173TIP3    H241506  -1.063  -3.877   1.928
 1173TIP3   OH241507  -2.244  -3.661   2.202
 1173TIP3    H141508  -2.184  -3.711   2.260
 1173TIP3    H241509  -2.238  -3.712   2.119
 1173TIP3   OH241510  -1.706  -3.525   2.148
 1173TIP3    H141511  -1.636  -3.580   2.187
 1173TIP3    H241512  -1.757  -3.592   2.099
 1173TIP3   OH241513  -2.034  -4.056   2.570
 1173TIP3    H141514  -2.068  -4.001   2.497
 1173TIP3    H241515  -2.101  -4.037   2.638
 1173TIP3   OH241516  -1.288  -3.086   1.910
 1173TIP3    H141517  -1.311  -3.103   1.818
 1173TIP3    H241518  -1.329  -2.999   1.926
 1173TIP3   OH241519  -1.740  -3.270   2.580
 1173TIP3    H141520  -1.814  -3.210   2.606
 1173TIP3    H241521  -1.678  -3.208   2.537
 1173TIP3   OH241522  -0.934  -4.014   2.193
 1173TIP3    H141523  -0.987  -4.060   2.259
 1173TIP3    H241524  -0.890  -3.947   2.246
 1173TIP3   OH241525  -2.074  -3.856   2.364
 1173TIP3    H141526  -2.011  -3.795   2.408
 1173TIP3    H241527  -2.017  -3.890   2.291
 1174TIP3   OH241528  -1.942  -3.083   2.652
 1174TIP3    H141529  -1.945  -2.990   2.623
 1174TIP3    H241530  -2.028  -3.089   2.697
 1174TIP3   OH241531  -2.310  -3.112   1.742
 1174TIP3    H141532  -2.329  -3.063   1.660
 1174TIP3    H241533  -2.294  -3.041   1.807
 1174TIP3   OH241534  -0.965  -2.968   2.418
 1174TIP3    H141535  -1.062  -2.954   2.420
 1174TIP3    H241536  -0.935  -2.882   2.382
 1174TIP3   OH241537  -0.925  -4.107   2.591
 1174TIP3    H141538  -1.007  -4.080   2.545
 1174TIP3    H241539  -0.859  -4.099   2.519
 1174TIP3   OH241540  -1.611   4.381   2.296
 1174TIP3    H141541  -1.618   4.285   2.302
 1174TIP3    H241542  -1.699   4.413   2.324
 1174TIP3   OH241543  -1.132  -2.774   2.076
 1174TIP3    H141544  -1.083  -2.853   2.045
 1174TIP3    H241545  -1.064  -2.705   2.066
 1174TIP3   OH241546  -0.993  -2.987   1.939
 1174TIP3    H141547  -1.037  -3.034   1.867
 1174TIP3    H241548  -0.997  -3.053   2.011
 1174TIP3   OH241549  -0.835  -3.108   2.786
 1174TIP3    H141550  -0.846  -3.169   2.711
 1174TIP3    H241551  -0.826  -3.022   2.741
 1174TIP3   OH241552  -1.415  -3.411   1.754
 1174TIP3    H141553  -1.479  -3.352   1.710
 1174TIP3    H241554  -1.339  -3.407   1.693
 1174TIP3   OH241555  -1.382  -3.597   1.462
 1174TIP3    H141556  -1.313  -3.564   1.523
 1174TIP3    H241557  -1.327  -3.651   1.402
 1175TIP3   OH241558  -0.658  -3.487   2.580
 1175TIP3    H141559  -0.733  -3.424   2.586
 1175TIP3    H241560  -0.610  -3.450   2.503
 1175TIP3   OH241561  -1.059  -3.416   1.864
 1175TIP3    H141562  -1.127  -3.392   1.931
 1175TIP3    H241563  -0.998  -3.470   1.916
 1175TIP3   OH241564  -1.065  -3.568   2.744
 1175TIP3    H141565  -1.064  -3.488   2.799
 1175TIP3    H241566  -1.129  -3.538   2.677
 1175TIP3   OH241567  -1.899  -3.337   2.040
 1175TIP3    H141568  -1.930  -3.381   1.959
 1175TIP3    H241569  -1.834  -3.401   2.075
 1175TIP3   OH241570  -1.762  -2.996   2.315
 1175TIP3    H141571  -1.773  -3.037   2.227
 1175TIP3    H241572  -1.683  -3.043   2.349
 1175TIP3   OH241573  -1.839  -3.458   2.390
 1175TIP3    H141574  -1.782  -3.453   2.311
 1175TIP3    H241575  -1.801  -3.389   2.448
 1175TIP3   OH241576  -1.246  -2.905   2.448
 1175TIP3    H141577  -1.244  -2.837   2.517
 1175TIP3    H241578  -1.268  -2.987   2.496
 1175TIP3   OH241579  -1.756  -3.025   2.873
 1175TIP3    H141580  -1.806  -2.959   2.923
 1175TIP3    H241581  -1.821  -3.050   2.805
 1175TIP3   OH241582  -1.164  -3.470   1.610
 1175TIP3    H141583  -1.116  -3.442   1.691
 1175TIP3    H241584  -1.114  -3.420   1.541
 1175TIP3   OH241585  -2.063  -3.384   2.785
 1175TIP3    H141586  -2.058  -3.327   2.864
 1175TIP3    H241587  -2.159  -3.398   2.778
 1176TIP3   OH241588  -1.411  -2.804   1.960
 1176TIP3    H141589  -1.368  -2.785   2.045
 1176TIP3    H241590  -1.474  -2.732   1.951
 1176TIP3   OH241591  -1.946  -2.806   2.955
 1176TIP3    H141592  -1.958  -2.803   2.859
 1176TIP3    H241593  -2.034  -2.834   2.988
 1176TIP3   OH241594  -0.842  -4.324   1.533
 1176TIP3    H141595  -0.886  -4.322   1.619
 1176TIP3    H241596  -0.766  -4.267   1.552
 1176TIP3   OH241597  -2.006  -3.465   1.792
 1176TIP3    H141598  -2.028  -3.387   1.737
 1176TIP3    H241599  -2.075  -3.527   1.767
 1176TIP3   OH241600  -0.682  -2.882   1.417
 1176TIP3    H141601  -0.666  -2.787   1.434
 1176TIP3    H241602  -0.595  -2.921   1.435
 1176TIP3   OH241603  -2.401  -3.196   2.668
 1176TIP3    H141604  -2.444  -3.197   2.580
 1176TIP3    H241605  -2.388  -3.291   2.684
 1176TIP3   OH241606  -2.395  -2.903   2.360
 1176TIP3    H141607  -2.303  -2.933   2.364
 1176TIP3    H241608  -2.399  -2.843   2.436
 1176TIP3   OH241609  -0.556  -2.842   2.941
 1176TIP3    H141610  -0.568  -2.936   2.918
 1176TIP3    H241611  -0.648  -2.817   2.966
 1176TIP3   OH241612  -1.492  -2.919   2.817
 1176TIP3    H141613  -1.484  -2.837   2.869
 1176TIP3    H241614  -1.582  -2.949   2.841
 1176TIP3   OH241615  -1.484  -2.513   1.763
 1176TIP3    H141616  -1.400  -2.528   1.718
 1176TIP3    H241617  -1.461  -2.445   1.829
 1177TIP3   OH241618  -2.080  -2.626   1.975
 1177TIP3    H141619  -2.065  -2.669   2.061
 1177TIP3    H241620  -2.165  -2.665   1.948
 1177TIP3   OH241621  -1.177  -2.610   1.536
 1177TIP3    H141622  -1.119  -2.666   1.480
 1177TIP3    H241623  -1.153  -2.641   1.625
 1177TIP3   OH241624  -1.193  -2.653   1.819
 1177TIP3    H141625  -1.287  -2.657   1.841
 1177TIP3    H241626  -1.161  -2.723   1.879
 1177TIP3   OH241627  -0.873  -3.708   2.974
 1177TIP3    H141628  -0.935  -3.662   2.914
 1177TIP3    H241629  -0.887  -3.800   2.949
 1177TIP3   OH241630  -2.182  -3.040   2.792
 1177TIP3    H141631  -2.155  -3.087   2.873
 1177TIP3    H241632  -2.255  -3.096   2.758
 1177TIP3   OH241633  -1.860  -4.220   2.384
 1177TIP3    H141634  -1.941  -4.246   2.338
 1177TIP3    H241635  -1.888  -4.137   2.425
 1177TIP3   OH241636  -1.403  -4.264   2.741
 1177TIP3    H141637  -1.389  -4.308   2.825
 1177TIP3    H241638  -1.498  -4.277   2.728
 1177TIP3   OH241639  -1.092  -3.859   2.792
 1177TIP3    H141640  -1.162  -3.876   2.857
 1177TIP3    H241641  -1.110  -3.767   2.764
 1177TIP3   OH241642  -1.009  -3.365   1.410
 1177TIP3    H141643  -1.028  -3.379   1.315
 1177TIP3    H241644  -0.916  -3.336   1.404
 1177TIP3   OH241645  -1.448  -3.987   1.449
 1177TIP3    H141646  -1.497  -4.000   1.532
 1177TIP3    H241647  -1.496  -4.052   1.393
 1178TIP3   OH241648  -1.876  -3.716   2.509
 1178TIP3    H141649  -1.934  -3.703   2.586
 1178TIP3    H241650  -1.868  -3.625   2.473
 1178TIP3   OH241651  -1.882  -3.709   1.997
 1178TIP3    H141652  -1.978  -3.719   1.982
 1178TIP3    H241653  -1.848  -3.727   1.908
 1178TIP3   OH241654  -1.321  -3.650   1.873
 1178TIP3    H141655  -1.363  -3.568   1.841
 1178TIP3    H241656  -1.253  -3.665   1.805
 1178TIP3   OH241657  -1.396  -3.636   3.006
 1178TIP3    H141658  -1.452  -3.705   3.047
 1178TIP3    H241659  -1.313  -3.646   3.056
 1178TIP3   OH241660  -1.235  -3.711   2.152
 1178TIP3    H141661  -1.265  -3.653   2.080
 1178TIP3    H241662  -1.214  -3.792   2.101
 1178TIP3   OH241663  -2.140  -3.696   2.692
 1178TIP3    H141664  -2.112  -3.669   2.780
 1178TIP3    H241665  -2.180  -3.784   2.710
 1178TIP3   OH241666  -1.823  -3.932   1.340
 1178TIP3    H141667  -1.833  -3.970   1.430
 1178TIP3    H241668  -1.911  -3.945   1.303
 1178TIP3   OH241669  -2.459  -3.952   2.056
 1178TIP3    H141670  -2.401  -3.958   2.135
 1178TIP3    H241671  -2.407  -3.995   1.986
 1178TIP3   OH241672  -2.299  -3.908   1.630
 1178TIP3    H141673  -2.245  -3.861   1.564
 1178TIP3    H241674  -2.371  -3.845   1.645
 1178TIP3   OH241675  -1.321  -3.544   2.602
 1178TIP3    H141676  -1.281  -3.618   2.551
 1178TIP3    H241677  -1.359  -3.591   2.678
 1179TIP3   OH241678  -1.604  -3.944   2.096
 1179TIP3    H141679  -1.698  -3.959   2.117
 1179TIP3    H241680  -1.562  -3.972   2.179
 1179TIP3   OH241681  -2.146  -3.825   1.966
 1179TIP3    H141682  -2.230  -3.800   1.922
 1179TIP3    H241683  -2.122  -3.908   1.921
 1179TIP3   OH241684  -1.787  -3.789   1.730
 1179TIP3    H141685  -1.691  -3.785   1.740
 1179TIP3    H241686  -1.806  -3.721   1.663
 1179TIP3   OH241687  -1.169  -4.034   2.401
 1179TIP3    H141688  -1.233  -4.034   2.476
 1179TIP3    H241689  -1.228  -4.064   2.330
 1179TIP3   OH241690  -1.943  -3.663   1.494
 1179TIP3    H141691  -1.997  -3.716   1.434
 1179TIP3    H241692  -1.857  -3.659   1.449
 1179TIP3   OH241693  -0.866  -2.457   3.068
 1179TIP3    H141694  -0.843  -2.412   2.984
 1179TIP3    H241695  -0.795  -2.425   3.126
 1179TIP3   OH241696  -2.075  -3.195   3.010
 1179TIP3    H141697  -2.007  -3.187   3.080
 1179TIP3    H241698  -2.155  -3.196   3.066
 1179TIP3   OH241699  -1.503  -3.694   2.283
 1179TIP3    H141700  -1.432  -3.739   2.235
 1179TIP3    H241701  -1.520  -3.756   2.356
 1179TIP3   OH241702  -1.988  -4.066   1.904
 1179TIP3    H141703  -2.038  -4.149   1.915
 1179TIP3    H241704  -1.904  -4.097   1.868
 1179TIP3   OH241705  -1.606  -3.849   2.509
 1179TIP3    H141706  -1.682  -3.789   2.507
 1179TIP3    H241707  -1.557  -3.820   2.589
 1180TIP3   OH241708  -1.602  -3.198   1.691
 1180TIP3    H141709  -1.674  -3.257   1.659
 1180TIP3    H241710  -1.615  -3.200   1.788
 1180TIP3   OH241711  -0.868  -3.295   2.570
 1180TIP3    H141712  -0.819  -3.238   2.506
 1180TIP3    H241713  -0.954  -3.304   2.525
 1180TIP3   OH241714  -1.177  -3.934   1.461
 1180TIP3    H141715  -1.275  -3.936   1.461
 1180TIP3    H241716  -1.157  -3.862   1.524
 1180TIP3   OH241717  -1.429  -3.209   2.828
 1180TIP3    H141718  -1.457  -3.240   2.915
 1180TIP3    H241719  -1.458  -3.116   2.829
 1180TIP3   OH241720  -1.110  -3.749   1.673
 1180TIP3    H141721  -1.023  -3.762   1.715
 1180TIP3    H241722  -1.101  -3.660   1.635
 1180TIP3   OH241723  -2.077  -3.270   2.279
 1180TIP3    H141724  -2.022  -3.282   2.200
 1180TIP3    H241725  -2.069  -3.356   2.322
 1180TIP3   OH241726  -1.355  -3.069   1.591
 1180TIP3    H141727  -1.382  -2.983   1.630
 1180TIP3    H241728  -1.431  -3.125   1.616
 1180TIP3   OH241729  -2.354  -3.443   2.806
 1180TIP3    H141730  -2.336  -3.488   2.891
 1180TIP3    H241731  -2.412  -3.506   2.759
 1180TIP3   OH241732  -1.655  -3.493   3.003
 1180TIP3    H141733  -1.689  -3.518   2.915
 1180TIP3    H241734  -1.561  -3.517   2.994
 1180TIP3   OH241735  -1.202  -2.952   2.776
 1180TIP3    H141736  -1.298  -2.941   2.770
 1180TIP3    H241737  -1.185  -2.924   2.868
 1181TIP3   OH241738  -0.649  -3.745   1.654
 1181TIP3    H141739  -0.704  -3.764   1.576
 1181TIP3    H241740  -0.637  -3.649   1.639
 1181TIP3   OH241741  -0.604  -3.148   2.932
 1181TIP3    H141742  -0.697  -3.123   2.914
 1181TIP3    H241743  -0.570  -3.157   2.841
 1181TIP3   OH241744  -0.838  -2.889   1.658
 1181TIP3    H141745  -0.842  -2.966   1.717
 1181TIP3    H241746  -0.775  -2.916   1.590
 1181TIP3   OH241747  -1.103  -3.350   2.401
 1181TIP3    H141748  -1.197  -3.364   2.377
 1181TIP3    H241749  -1.060  -3.422   2.351
 1181TIP3   OH241750  -1.838  -2.937   2.000
 1181TIP3    H141751  -1.797  -2.850   1.983
 1181TIP3    H241752  -1.931  -2.917   1.981
 1181TIP3   OH241753  -2.242  -3.465   1.469
 1181TIP3    H141754  -2.185  -3.395   1.505
 1181TIP3    H241755  -2.330  -3.435   1.498
 1181TIP3   OH241756  -1.658  -3.171   1.968
 1181TIP3    H141757  -1.690  -3.080   1.982
 1181TIP3    H241758  -1.728  -3.222   2.010
 1181TIP3   OH241759  -1.641  -2.747   2.602
 1181TIP3    H141760  -1.585  -2.672   2.575
 1181TIP3    H241761  -1.580  -2.796   2.658
 1181TIP3   OH241762  -1.792  -2.665   1.899
 1181TIP3    H141763  -1.887  -2.647   1.900
 1181TIP3    H241764  -1.756  -2.578   1.922
 1181TIP3   OH241765  -1.301  -3.173   2.558
 1181TIP3    H141766  -1.329  -3.199   2.648
 1181TIP3    H241767  -1.226  -3.233   2.543
 1182TIP3   OH241768  -1.085  -3.040   1.449
 1182TIP3    H141769  -1.038  -3.081   1.524
 1182TIP3    H241770  -1.176  -3.054   1.479
 1182TIP3   OH241771  -1.005  -2.715   2.797
 1182TIP3    H141772  -1.081  -2.759   2.755
 1182TIP3    H241773  -0.995  -2.635   2.743
 1182TIP3   OH241774  -0.609  -2.614   1.503
 1182TIP3    H141775  -0.539  -2.549   1.484
 1182TIP3    H241776  -0.686  -2.553   1.504
 1182TIP3   OH241777  -2.219  -3.961   2.763
 1182TIP3    H141778  -2.310  -3.943   2.733
 1182TIP3    H241779  -2.235  -4.047   2.808
 1182TIP3   OH241780  -0.989  -3.181   1.691
 1182TIP3    H141781  -1.011  -3.255   1.750
 1182TIP3    H241782  -0.891  -3.181   1.695
 1182TIP3   OH241783  -2.245  -2.803   2.607
 1182TIP3    H141784  -2.215  -2.893   2.622
 1182TIP3    H241785  -2.222  -2.762   2.691
 1182TIP3   OH241786  -1.657  -2.929   1.311
 1182TIP3    H141787  -1.622  -3.002   1.256
 1182TIP3    H241788  -1.696  -2.977   1.385
 1182TIP3   OH241789  -1.773  -2.953   1.596
 1182TIP3    H141790  -1.727  -3.027   1.637
 1182TIP3    H241791  -1.745  -2.880   1.651
 1182TIP3   OH241792  -2.089  -3.240   1.621
 1182TIP3    H141793  -2.164  -3.203   1.672
 1182TIP3    H241794  -2.048  -3.158   1.588
 1182TIP3   OH241795  -1.324  -4.009   2.629
 1182TIP3    H141796  -1.270  -3.983   2.704
 1182TIP3    H241797  -1.367  -4.090   2.662
 1183TIP3   OH241798  -1.250  -4.056   1.745
 1183TIP3    H141799  -1.241  -3.998   1.668
 1183TIP3    H241800  -1.214  -4.001   1.816
 1183TIP3   OH241801  -1.487  -2.819   1.646
 1183TIP3    H141802  -1.557  -2.757   1.668
 1183TIP3    H241803  -1.444  -2.778   1.569
 1183TIP3   OH241804  -1.521  -3.849   1.845
 1183TIP3    H141805  -1.445  -3.788   1.858
 1183TIP3    H241806  -1.548  -3.866   1.937
 1183TIP3   OH241807  -1.480  -3.760   2.756
 1183TIP3    H141808  -1.476  -3.709   2.839
 1183TIP3    H241809  -1.427  -3.837   2.778
 1183TIP3   OH241810  -1.441  -4.173   1.949
 1183TIP3    H141811  -1.480  -4.096   1.995
 1183TIP3    H241812  -1.391  -4.130   1.878
 1183TIP3   OH241813  -1.888  -4.045   1.588
 1183TIP3    H141814  -1.888  -3.968   1.648
 1183TIP3    H241815  -1.805  -4.089   1.616
 1183TIP3   OH241816  -0.821  -3.968   2.815
 1183TIP3    H141817  -0.915  -3.958   2.837
 1183TIP3    H241818  -0.833  -3.981   2.720
 1183TIP3   OH241819  -1.004  -3.575   2.249
 1183TIP3    H141820  -1.087  -3.618   2.221
 1183TIP3    H241821  -0.958  -3.648   2.295
 1183TIP3   OH241822  -2.043  -2.966   1.499
 1183TIP3    H141823  -1.965  -2.921   1.536
 1183TIP3    H241824  -2.002  -3.012   1.424
 1183TIP3   OH241825  -2.222  -3.743   1.394
 1183TIP3    H141826  -2.218  -3.652   1.429
 1183TIP3    H241827  -2.314  -3.750   1.364
 1184TIP3   OH241828  -0.897  -2.688   2.391
 1184TIP3    H141829  -0.916  -2.608   2.337
 1184TIP3    H241830  -0.803  -2.674   2.408
 1184TIP3   OH241831  -2.221  -4.242   2.302
 1184TIP3    H141832  -2.187  -4.243   2.211
 1184TIP3    H241833  -2.196  -4.332   2.329
 1184TIP3   OH241834  -2.252  -2.889   1.914
 1184TIP3    H141835  -2.330  -2.838   1.938
 1184TIP3    H241836  -2.215  -2.836   1.842
 1184TIP3   OH241837  -2.312  -2.598   3.029
 1184TIP3    H141838  -2.253  -2.626   3.101
 1184TIP3    H241839  -2.350  -2.683   3.001
 1184TIP3   OH241840  -1.842  -2.690   3.205
 1184TIP3    H141841  -1.774  -2.754   3.230
 1184TIP3    H241842  -1.864  -2.719   3.115
 1184TIP3   OH241843  -1.449  -2.744   1.374
 1184TIP3    H141844  -1.509  -2.818   1.347
 1184TIP3    H241845  -1.364  -2.777   1.339
 1184TIP3   OH241846  -1.193  -2.867   3.063
 1184TIP3    H141847  -1.234  -2.946   3.102
 1184TIP3    H241848  -1.126  -2.843   3.130
 1184TIP3   OH241849  -0.985  -2.767   1.377
 1184TIP3    H141850  -0.961  -2.845   1.429
 1184TIP3    H241851  -0.906  -2.756   1.320
 1184TIP3   OH241852  -2.316  -3.236   3.140
 1184TIP3    H141853  -2.307  -3.326   3.106
 1184TIP3    H241854  -2.392  -3.204   3.088
 1184TIP3   OH241855  -1.893  -3.184   1.347
 1184TIP3    H141856  -1.877  -3.250   1.416
 1184TIP3    H241857  -1.810  -3.192   1.295
 1185TIP3   OH241858  -1.652  -3.216   3.074
 1185TIP3    H141859  -1.683  -3.183   2.988
 1185TIP3    H241860  -1.645  -3.312   3.060
 1185TIP3   OH241861  -1.379  -3.061   1.306
 1185TIP3    H141862  -1.373  -3.064   1.403
 1185TIP3    H241863  -1.375  -3.156   1.284
 1185TIP3   OH241864  -1.115  -3.253   2.814
 1185TIP3    H141865  -1.039  -3.197   2.794
 1185TIP3    H241866  -1.187  -3.187   2.813
 1185TIP3   OH241867  -2.230  -3.523   3.057
 1185TIP3    H141868  -2.154  -3.584   3.057
 1185TIP3    H241869  -2.234  -3.499   3.151
 1185TIP3   OH241870  -1.783  -3.387   1.576
 1185TIP3    H141871  -1.848  -3.434   1.630
 1185TIP3    H241872  -1.758  -3.456   1.512
 1185TIP3   OH241873  -1.864  -3.609   2.799
 1185TIP3    H141874  -1.917  -3.531   2.822
 1185TIP3    H241875  -1.799  -3.572   2.737
 1185TIP3   OH241876  -1.687  -3.584   1.393
 1185TIP3    H141877  -1.686  -3.578   1.297
 1185TIP3    H241878  -1.592  -3.587   1.415
 1185TIP3   OH241879  -1.336  -3.339   3.155
 1185TIP3    H141880  -1.245  -3.357   3.130
 1185TIP3    H241881  -1.359  -3.420   3.204
 1185TIP3   OH241882  -0.740  -3.332   1.334
 1185TIP3    H141883  -0.749  -3.372   1.246
 1185TIP3    H241884  -0.749  -3.237   1.311
 1185TIP3   OH241885  -1.806  -3.880   2.911
 1185TIP3    H141886  -1.797  -3.944   2.838
 1185TIP3    H241887  -1.827  -3.798   2.863
 1186TIP3   OH241888  -1.766  -4.038   2.654
 1186TIP3    H141889  -1.715  -3.982   2.592
 1186TIP3    H241890  -1.858  -4.027   2.620
 1186TIP3   OH241891  -1.616  -3.488   2.699
 1186TIP3    H141892  -1.531  -3.493   2.652
 1186TIP3    H241893  -1.648  -3.400   2.670
 1186TIP3   OH241894  -1.158  -3.707   3.178
 1186TIP3    H141895  -1.137  -3.799   3.201
 1186TIP3    H241896  -1.072  -3.664   3.185
 1186TIP3   OH241897  -1.058  -3.422   3.022
 1186TIP3    H141898  -1.097  -3.359   2.957
 1186TIP3    H241899  -0.968  -3.431   2.986
 1186TIP3   OH241900  -1.986  -3.695   3.091
 1186TIP3    H141901  -2.036  -3.779   3.094
 1186TIP3    H241902  -1.903  -3.724   3.050
 1186TIP3   OH241903  -1.718  -4.277   2.777
 1186TIP3    H141904  -1.707  -4.187   2.740
 1186TIP3    H241905  -1.811  -4.291   2.755
 1186TIP3   OH241906  -1.571  -3.844   3.069
 1186TIP3    H141907  -1.598  -3.870   3.159
 1186TIP3    H241908  -1.654  -3.863   3.020
 1186TIP3   OH241909  -1.313  -3.950   2.964
 1186TIP3    H141910  -1.400  -3.930   3.004
 1186TIP3    H241911  -1.273  -4.006   3.033
 1186TIP3   OH241912  -1.145  -4.119   3.152
 1186TIP3    H141913  -1.148  -4.208   3.187
 1186TIP3    H241914  -1.160  -4.066   3.234
 1186TIP3   OH241915  -2.104  -3.960   3.083
 1186TIP3    H141916  -2.131  -4.020   3.011
 1186TIP3    H241917  -2.149  -3.998   3.160
 1187TIP3   OH241918  -1.610  -4.151   3.177
 1187TIP3    H141919  -1.637  -4.233   3.131
 1187TIP3    H241920  -1.694  -4.102   3.186
 1187TIP3   OH241921  -2.323  -3.022   1.467
 1187TIP3    H141922  -2.228  -3.002   1.477
 1187TIP3    H241923  -2.322  -3.098   1.406
 1187TIP3   OH241924  -2.425  -2.500   1.939
 1187TIP3    H141925  -2.495  -2.538   1.883
 1187TIP3    H241926  -2.414  -2.569   2.007
 1187TIP3   OH241927  -2.385  -2.698   2.137
 1187TIP3    H141928  -2.413  -2.786   2.169
 1187TIP3    H241929  -2.349  -2.663   2.220
 1187TIP3   OH241930  -0.618  -2.582   2.434
 1187TIP3    H141931  -0.601  -2.574   2.528
 1187TIP3    H241932  -0.541  -2.535   2.397
 1187TIP3   OH241933  -0.643  -2.627   2.728
 1187TIP3    H141934  -0.689  -2.702   2.687
 1187TIP3    H241935  -0.583  -2.674   2.788
 1187TIP3   OH241936  -0.839  -3.090   3.158
 1187TIP3    H141937  -0.929  -3.079   3.194
 1187TIP3    H241938  -0.796  -3.007   3.184
 1187TIP3   OH241939  -0.702  -3.194   1.728
 1187TIP3    H141940  -0.612  -3.160   1.742
 1187TIP3    H241941  -0.707  -3.258   1.801
 1187TIP3   OH241942  -0.655  -3.398   1.925
 1187TIP3    H141943  -0.720  -3.456   1.969
 1187TIP3    H241944  -0.586  -3.386   1.993
 1187TIP3   OH241945  -0.680  -3.150   2.425
 1187TIP3    H141946  -0.619  -3.195   2.364
 1187TIP3    H241947  -0.670  -3.057   2.396
 1188TIP3   OH241948  -0.811  -2.863   2.651
 1188TIP3    H141949  -0.883  -2.816   2.697
 1188TIP3    H241950  -0.856  -2.893   2.570
 1188TIP3   OH241951  -0.631  -3.456   1.584
 1188TIP3    H141952  -0.680  -3.426   1.505
 1188TIP3    H241953  -0.641  -3.378   1.642
 1188TIP3   OH241954  -0.801  -3.700   1.409
 1188TIP3    H141955  -0.775  -3.637   1.340
 1188TIP3    H241956  -0.826  -3.779   1.358
 1188TIP3   OH241957  -0.858  -3.585   2.008
 1188TIP3    H141958  -0.869  -3.679   1.987
 1188TIP3    H241959  -0.900  -3.577   2.096
 1188TIP3   OH241960  -2.376  -3.364   2.377
 1188TIP3    H141961  -2.352  -3.359   2.283
 1188TIP3    H241962  -2.290  -3.386   2.417
 1188TIP3   OH241963  -0.789  -3.404   2.934
 1188TIP3    H141964  -0.711  -3.460   2.953
 1188TIP3    H241965  -0.749  -3.321   2.905
 1188TIP3   OH241966  -0.627  -3.621   3.035
 1188TIP3    H141967  -0.714  -3.660   3.012
 1188TIP3    H241968  -0.563  -3.691   3.020
 1188TIP3   OH241969  -0.860  -3.970   1.326
 1188TIP3    H141970  -0.801  -4.013   1.390
 1188TIP3    H241971  -0.942  -4.019   1.336
 1188TIP3   OH241972  -0.878  -3.827   1.827
 1188TIP3    H141973  -0.860  -3.924   1.832
 1188TIP3    H241974  -0.796  -3.796   1.784
 1188TIP3   OH241975  -0.854  -3.776   2.368
 1188TIP3    H141976  -0.758  -3.763   2.363
 1188TIP3    H241977  -0.867  -3.773   2.465
 1189TIP3   OH241978  -0.811  -3.721   2.653
 1189TIP3    H141979  -0.897  -3.687   2.684
 1189TIP3    H241980  -0.762  -3.639   2.633
 1189TIP3   OH241981  -2.392  -3.836   3.029
 1189TIP3    H141982  -2.299  -3.857   3.013
 1189TIP3    H241983  -2.434  -3.923   3.026
 1189TIP3   OH241984  -0.643  -4.271   3.178
 1189TIP3    H141985  -0.578  -4.336   3.207
 1189TIP3    H241986  -0.591  -4.196   3.145
 1189TIP3   OH241987  -0.849  -4.098   1.835
 1189TIP3    H141988  -0.824  -4.150   1.912
 1189TIP3    H241989  -0.911  -4.160   1.790
 1189TIP3   OH241990  -2.316  -3.990   2.298
 1189TIP3    H141991  -2.285  -4.083   2.307
 1189TIP3    H241992  -2.240  -3.941   2.335
 1189TIP3   OH241993  -2.455  -3.727   2.400
 1189TIP3    H141994  -2.396  -3.734   2.323
 1189TIP3    H241995  -2.417  -3.653   2.447
 1189TIP3   OH241996  -0.620  -4.067   2.996
 1189TIP3    H141997  -0.702  -4.039   3.042
 1189TIP3    H241998  -0.654  -4.143   2.945
 1189TIP3   OH241999  -0.634  -4.060   1.498
 1189TIP3    H142000  -0.616  -4.143   1.449
 1189TIP3    H242001  -0.549  -4.013   1.493
 1189TIP3   OH242002  -2.403  -4.098   1.810
 1189TIP3    H142003  -2.497  -4.096   1.786
 1189TIP3    H242004  -2.363  -4.033   1.749
 1189TIP3   OH242005  -0.941  -2.570   2.022
 1189TIP3    H142006  -0.897  -2.590   1.937
 1189TIP3    H242007  -0.870  -2.523   2.068
 1190TIP3   OH242008  -2.425  -4.127   2.658
 1190TIP3    H142009  -2.423  -4.221   2.685
 1190TIP3    H242010  -2.444  -4.134   2.564
 1190TIP3   OH242011  -2.201  -2.896   3.089
 1190TIP3    H142012  -2.276  -2.898   3.027
 1190TIP3    H242013  -2.245  -2.901   3.175
 1190TIP3   OH242014  -1.917  -2.799   2.656
 1190TIP3    H142015  -1.947  -2.713   2.622
 1190TIP3    H242016  -1.821  -2.790   2.640
 1190TIP3   OH242017  -1.466  -2.668   2.958
 1190TIP3    H142018  -1.452  -2.684   3.053
 1190TIP3    H242019  -1.383  -2.622   2.933
 1190TIP3   OH242020  -1.238  -2.522   2.882
 1190TIP3    H142021  -1.168  -2.586   2.860
 1190TIP3    H242022  -1.207  -2.491   2.970
 1190TIP3   OH242023  -0.761  -4.276   2.803
 1190TIP3    H142024  -0.818  -4.210   2.758
 1190TIP3    H242025  -0.775  -4.352   2.743
 1190TIP3   OH242026  -2.180  -2.503   2.690
 1190TIP3    H142027  -2.239  -2.439   2.646
 1190TIP3    H242028  -2.213  -2.498   2.781
 1190TIP3   OH242029  -1.930  -2.526   2.545
 1190TIP3    H142030  -2.015  -2.507   2.589
 1190TIP3    H242031  -1.926  -2.456   2.477
 1190TIP3   OH242032  -1.456  -2.525   2.501
 1190TIP3    H142033  -1.493  -2.480   2.424
 1190TIP3    H242034  -1.446  -2.451   2.564
 1190TIP3   OH242035  -1.222  -2.655   2.593
 1190TIP3    H142036  -1.307  -2.617   2.561
 1190TIP3    H242037  -1.165  -2.576   2.592
 1191TIP3   OH242038  -0.971  -2.481   2.611
 1191TIP3    H142039  -0.973  -2.386   2.588
 1191TIP3    H242040  -0.941  -2.519   2.527
 1191TIP3   OH242041  -2.223  -2.624   2.385
 1191TIP3    H142042  -2.224  -2.672   2.470
 1191TIP3    H242043  -2.146  -2.666   2.341
 1191TIP3   OH242044  -2.020  -2.747   2.231
 1191TIP3    H142045  -2.036  -2.840   2.256
 1191TIP3    H242046  -1.929  -2.732   2.261
 1191TIP3   OH242047  -1.744  -2.703   2.316
 1191TIP3    H142048  -1.726  -2.797   2.297
 1191TIP3    H242049  -1.737  -2.703   2.413
 1191TIP3   OH242050  -1.413  -4.112   2.249
 1191TIP3    H142051  -1.477  -4.182   2.276
 1191TIP3    H242052  -1.358  -4.160   2.186
 1191TIP3   OH242053  -0.886  -4.326   2.296
 1191TIP3    H142054  -0.827  -4.290   2.227
 1191TIP3    H242055  -0.974  -4.307   2.259
 1191TIP3   OH242056  -0.689  -4.225   2.076
 1191TIP3    H142057  -0.637  -4.247   1.998
 1191TIP3    H242058  -0.672  -4.129   2.085
 1191TIP3   OH242059  -2.183  -4.277   1.993
 1191TIP3    H142060  -2.267  -4.300   1.951
 1191TIP3    H242061  -2.143  -4.364   2.006
 1191TIP3   OH242062  -2.323  -4.291   1.611
 1191TIP3    H142063  -2.291  -4.257   1.526
 1191TIP3    H242064  -2.352  -4.209   1.655
 1191TIP3   OH242065  -1.729  -4.227   2.004
 1191TIP3    H142066  -1.634  -4.236   1.985
 1191TIP3    H242067  -1.744  -4.293   2.072
 1192TIP3   OH242068  -1.165  -4.267   2.144
 1192TIP3    H142069  -1.142  -4.261   2.050
 1192TIP3    H242070  -1.190  -4.360   2.155
 1192TIP3   OH242071  -1.064  -4.272   1.738
 1192TIP3    H142072  -1.140  -4.213   1.717
 1192TIP3    H242073  -1.103  -4.360   1.735
 1192TIP3   OH242074  -2.277  -2.696   1.709
 1192TIP3    H142075  -2.339  -2.708   1.636
 1192TIP3    H242076  -2.277  -2.599   1.714
 1192TIP3   OH242077  -2.125  -4.107   1.436
 1192TIP3    H142078  -2.065  -4.162   1.383
 1192TIP3    H242079  -2.066  -4.074   1.506
 1192TIP3   OH242080  -1.602  -4.058   1.672
 1192TIP3    H142081  -1.596  -4.144   1.718
 1192TIP3    H242082  -1.586  -3.993   1.742
 1192TIP3   OH242083  -0.762  -2.609   1.779
 1192TIP3    H142084  -0.781  -2.691   1.731
 1192TIP3    H242085  -0.759  -2.545   1.706
 1192TIP3   OH242086  -2.216  -4.178   2.925
 1192TIP3    H142087  -2.261  -4.257   2.957
 1192TIP3    H242088  -2.128  -4.215   2.913
 1192TIP3   OH242089  -1.924  -4.279   3.189
 1192TIP3    H142090  -1.837  -4.307   3.152
 1192TIP3    H242091  -1.948  -4.356   3.242
 1192TIP3   OH242092  -2.140  -2.609   1.387
 1192TIP3    H142093  -2.161  -2.567   1.472
 1192TIP3    H242094  -2.060  -2.659   1.408
 1192TIP3   OH242095  -0.810  -2.735   3.017
 1192TIP3    H142096  -0.883  -2.753   2.954
 1192TIP3    H242097  -0.825  -2.641   3.036
 1193TIP3   OH242098   0.610  -3.368   2.030
 1193TIP3    H142099   0.611  -3.271   2.041
 1193TIP3    H242100   0.535  -3.379   1.971
 1193TIP3   OH242101   0.497  -3.422   2.336
 1193TIP3    H142102   0.495  -3.478   2.415
 1193TIP3    H242103   0.469  -3.484   2.267
 1193TIP3   OH242104  -0.253  -3.470   2.504
 1193TIP3    H142105  -0.256  -3.535   2.576
 1193TIP3    H242106  -0.184  -3.410   2.535
 1193TIP3   OH242107   0.865  -3.149   2.169
 1193TIP3    H142108   0.827  -3.219   2.224
 1193TIP3    H242109   0.892  -3.085   2.236
 1193TIP3   OH242110  -0.191  -3.002   2.357
 1193TIP3    H142111  -0.214  -3.093   2.330
 1193TIP3    H242112  -0.095  -3.012   2.373
 1193TIP3   OH242113  -0.493  -3.664   1.895
 1193TIP3    H142114  -0.529  -3.573   1.901
 1193TIP3    H242115  -0.564  -3.708   1.848
 1193TIP3   OH242116  -0.411  -3.415   2.079
 1193TIP3    H142117  -0.394  -3.498   2.127
 1193TIP3    H242118  -0.328  -3.402   2.031
 1193TIP3   OH242119   0.570  -2.613   2.223
 1193TIP3    H142120   0.630  -2.684   2.194
 1193TIP3    H242121   0.541  -2.644   2.310
 1193TIP3   OH242122   0.345  -3.172   2.394
 1193TIP3    H142123   0.378  -3.243   2.336
 1193TIP3    H242124   0.426  -3.156   2.445
 1193TIP3   OH242125   1.214  -4.022   2.456
 1193TIP3    H142126   1.243  -3.964   2.529
 1193TIP3    H242127   1.276  -3.992   2.386
 1194TIP3   OH242128   0.671  -3.741   2.445
 1194TIP3    H142129   0.695  -3.835   2.445
 1194TIP3    H242130   0.666  -3.722   2.350
 1194TIP3   OH242131  -0.032  -3.942   2.156
 1194TIP3    H142132  -0.014  -3.857   2.110
 1194TIP3    H242133  -0.062  -3.995   2.079
 1194TIP3   OH242134   0.761  -3.921   1.990
 1194TIP3    H142135   0.824  -3.963   2.052
 1194TIP3    H242136   0.822  -3.877   1.929
 1194TIP3   OH242137  -0.359  -3.665   2.204
 1194TIP3    H142138  -0.296  -3.714   2.259
 1194TIP3    H242139  -0.350  -3.712   2.119
 1194TIP3   OH242140   0.178  -3.525   2.149
 1194TIP3    H142141   0.250  -3.580   2.187
 1194TIP3    H242142   0.129  -3.592   2.098
 1194TIP3   OH242143   1.286  -3.871   2.698
 1194TIP3    H142144   1.223  -3.800   2.679
 1194TIP3    H242145   1.276  -3.882   2.793
 1194TIP3   OH242146  -0.164  -4.045   2.593
 1194TIP3    H142147  -0.192  -4.006   2.509
 1194TIP3    H242148  -0.235  -4.019   2.651
 1194TIP3   OH242149   0.600  -3.083   1.908
 1194TIP3    H142150   0.571  -3.102   1.819
 1194TIP3    H242151   0.557  -2.998   1.926
 1194TIP3   OH242152   0.145  -3.270   2.580
 1194TIP3    H142153   0.072  -3.209   2.606
 1194TIP3    H242154   0.208  -3.210   2.536
 1194TIP3   OH242155   0.945  -4.014   2.191
 1194TIP3    H142156   0.899  -4.058   2.264
 1194TIP3    H242157   1.001  -3.951   2.239
 1195TIP3   OH242158  -0.187  -3.863   2.368
 1195TIP3    H142159  -0.125  -3.798   2.408
 1195TIP3    H242160  -0.132  -3.894   2.292
 1195TIP3   OH242161  -0.057  -3.085   2.654
 1195TIP3    H142162  -0.057  -2.994   2.619
 1195TIP3    H242163  -0.144  -3.085   2.699
 1195TIP3   OH242164  -0.426  -3.112   1.742
 1195TIP3    H142165  -0.442  -3.062   1.659
 1195TIP3    H242166  -0.408  -3.041   1.807
 1195TIP3   OH242167   0.919  -2.967   2.419
 1195TIP3    H142168   0.823  -2.954   2.420
 1195TIP3    H242169   0.948  -2.882   2.381
 1195TIP3   OH242170   0.965  -4.115   2.586
 1195TIP3    H142171   0.886  -4.076   2.546
 1195TIP3    H242172   1.032  -4.096   2.519
 1195TIP3   OH242173   0.277   4.365   2.312
 1195TIP3    H142174   0.244   4.279   2.288
 1195TIP3    H242175   0.195   4.415   2.329
 1195TIP3   OH242176   0.753  -2.775   2.078
 1195TIP3    H142177   0.802  -2.853   2.044
 1195TIP3    H242178   0.818  -2.704   2.063
 1195TIP3   OH242179   0.896  -2.988   1.937
 1195TIP3    H142180   0.844  -3.033   1.868
 1195TIP3    H242181   0.890  -3.052   2.010
 1195TIP3   OH242182   1.050  -3.106   2.786
 1195TIP3    H142183   1.040  -3.169   2.713
 1195TIP3    H242184   1.061  -3.021   2.738
 1195TIP3   OH242185   0.476  -3.417   1.757
 1195TIP3    H142186   0.410  -3.354   1.720
 1195TIP3    H242187   0.547  -3.410   1.691
 1196TIP3   OH242188   0.504  -3.598   1.463
 1196TIP3    H142189   0.574  -3.565   1.522
 1196TIP3    H242190   0.557  -3.652   1.403
 1196TIP3   OH242191   1.224  -3.490   2.582
 1196TIP3    H142192   1.154  -3.421   2.588
 1196TIP3    H242193   1.274  -3.458   2.504
 1196TIP3   OH242194   0.827  -3.415   1.863
 1196TIP3    H142195   0.759  -3.393   1.931
 1196TIP3    H242196   0.888  -3.470   1.916
 1196TIP3   OH242197   0.810  -3.563   2.747
 1196TIP3    H142198   0.818  -3.482   2.801
 1196TIP3    H242199   0.748  -3.530   2.680
 1196TIP3   OH242200  -0.017  -3.339   2.044
 1196TIP3    H142201  -0.046  -3.379   1.960
 1196TIP3    H242202   0.052  -3.401   2.073
 1196TIP3   OH242203   0.119  -3.000   2.317
 1196TIP3    H142204   0.112  -3.033   2.226
 1196TIP3    H242205   0.201  -3.043   2.348
 1196TIP3   OH242206   0.047  -3.460   2.393
 1196TIP3    H142207   0.101  -3.453   2.311
 1196TIP3    H242208   0.085  -3.388   2.448
 1196TIP3   OH242209   0.641  -2.906   2.448
 1196TIP3    H142210   0.641  -2.837   2.517
 1196TIP3    H242211   0.618  -2.987   2.496
 1196TIP3   OH242212   0.128  -3.027   2.875
 1196TIP3    H142213   0.078  -2.957   2.922
 1196TIP3    H242214   0.065  -3.050   2.804
 1196TIP3   OH242215   0.724  -3.472   1.609
 1196TIP3    H142216   0.770  -3.443   1.691
 1196TIP3    H242217   0.772  -3.420   1.541
 1197TIP3   OH242218  -0.179  -3.391   2.788
 1197TIP3    H142219  -0.170  -3.327   2.861
 1197TIP3    H242220  -0.276  -3.395   2.780
 1197TIP3   OH242221   0.470  -2.810   1.966
 1197TIP3    H142222   0.514  -2.778   2.046
 1197TIP3    H242223   0.419  -2.733   1.938
 1197TIP3   OH242224  -0.059  -2.808   2.955
 1197TIP3    H142225  -0.069  -2.800   2.858
 1197TIP3    H242226  -0.148  -2.833   2.984
 1197TIP3   OH242227   1.040  -4.320   1.531
 1197TIP3    H142228   1.005  -4.325   1.621
 1197TIP3    H242229   1.120  -4.269   1.548
 1197TIP3   OH242230  -0.123  -3.463   1.796
 1197TIP3    H142231  -0.140  -3.386   1.739
 1197TIP3    H242232  -0.189  -3.526   1.763
 1197TIP3   OH242233   1.204  -2.882   1.413
 1197TIP3    H142234   1.220  -2.788   1.434
 1197TIP3    H242235   1.291  -2.922   1.434
 1197TIP3   OH242236  -0.515  -3.195   2.667
 1197TIP3    H142237  -0.560  -3.191   2.580
 1197TIP3    H242238  -0.502  -3.291   2.679
 1197TIP3   OH242239  -0.511  -2.906   2.362
 1197TIP3    H142240  -0.416  -2.929   2.365
 1197TIP3    H242241  -0.515  -2.839   2.432
 1197TIP3   OH242242   1.329  -2.842   2.939
 1197TIP3    H142243   1.318  -2.937   2.918
 1197TIP3    H242244   1.238  -2.818   2.966
 1197TIP3   OH242245   0.394  -2.921   2.818
 1197TIP3    H142246   0.402  -2.838   2.869
 1197TIP3    H242247   0.303  -2.949   2.840
 1198TIP3   OH242248   0.429  -2.539   1.818
 1198TIP3    H142249   0.420  -2.530   1.722
 1198TIP3    H242250   0.423  -2.447   1.850
 1198TIP3   OH242251  -0.189  -2.638   1.969
 1198TIP3    H142252  -0.185  -2.673   2.060
 1198TIP3    H242253  -0.281  -2.653   1.945
 1198TIP3   OH242254   0.748  -2.597   1.533
 1198TIP3    H142255   0.808  -2.658   1.486
 1198TIP3    H242256   0.749  -2.635   1.623
 1198TIP3   OH242257   0.691  -2.653   1.812
 1198TIP3    H142258   0.596  -2.638   1.828
 1198TIP3    H242259   0.708  -2.725   1.875
 1198TIP3   OH242260   1.009  -3.709   2.977
 1198TIP3    H142261   0.958  -3.668   2.906
 1198TIP3    H242262   1.015  -3.802   2.947
 1198TIP3   OH242263  -0.297  -3.037   2.790
 1198TIP3    H142264  -0.271  -3.084   2.872
 1198TIP3    H242265  -0.370  -3.091   2.755
 1198TIP3   OH242266   0.023  -4.217   2.393
 1198TIP3    H142267  -0.057  -4.244   2.345
 1198TIP3    H242268   0.001  -4.126   2.418
 1198TIP3   OH242269   0.480  -4.270   2.735
 1198TIP3    H142270   0.500  -4.312   2.819
 1198TIP3    H242271   0.384  -4.281   2.731
 1198TIP3   OH242272   0.776  -3.865   2.780
 1198TIP3    H142273   0.721  -3.874   2.860
 1198TIP3    H242274   0.774  -3.769   2.764
 1198TIP3   OH242275   0.878  -3.364   1.410
 1198TIP3    H142276   0.858  -3.379   1.316
 1198TIP3    H242277   0.971  -3.337   1.404
 1199TIP3   OH242278   0.443  -3.994   1.456
 1199TIP3    H142279   0.388  -4.004   1.536
 1199TIP3    H242280   0.393  -4.054   1.395
 1199TIP3   OH242281   0.009  -3.715   2.506
 1199TIP3    H142282  -0.043  -3.698   2.585
 1199TIP3    H242283   0.022  -3.625   2.470
 1199TIP3   OH242284   0.004  -3.711   1.999
 1199TIP3    H142285  -0.091  -3.716   1.981
 1199TIP3    H242286   0.040  -3.726   1.909
 1199TIP3   OH242287   0.565  -3.652   1.874
 1199TIP3    H142288   0.525  -3.569   1.841
 1199TIP3    H242289   0.633  -3.667   1.806
 1199TIP3   OH242290   0.485  -3.633   3.006
 1199TIP3    H142291   0.433  -3.706   3.046
 1199TIP3    H242292   0.571  -3.642   3.051
 1199TIP3   OH242293   0.649  -3.712   2.153
 1199TIP3    H142294   0.621  -3.653   2.080
 1199TIP3    H242295   0.672  -3.792   2.101
 1199TIP3   OH242296  -0.274  -3.719   2.708
 1199TIP3    H142297  -0.225  -3.666   2.772
 1199TIP3    H242298  -0.276  -3.805   2.751
 1199TIP3   OH242299   0.083  -3.944   1.350
 1199TIP3    H142300   0.046  -3.980   1.433
 1199TIP3    H242301   0.004  -3.925   1.298
 1199TIP3   OH242302  -0.577  -3.960   2.059
 1199TIP3    H142303  -0.516  -3.958   2.135
 1199TIP3    H242304  -0.521  -3.990   1.986
 1199TIP3   OH242305  -0.413  -3.910   1.629
 1199TIP3    H142306  -0.360  -3.860   1.564
 1199TIP3    H242307  -0.485  -3.846   1.645
 1200TIP3   OH242308   0.557  -3.544   2.597
 1200TIP3    H142309   0.603  -3.616   2.548
 1200TIP3    H242310   0.530  -3.588   2.679
 1200TIP3   OH242311   0.282  -3.945   2.096
 1200TIP3    H142312   0.188  -3.959   2.115
 1200TIP3    H242313   0.322  -3.966   2.181
 1200TIP3   OH242314  -0.266  -3.829   1.971
 1200TIP3    H142315  -0.344  -3.797   1.921
 1200TIP3    H242316  -0.237  -3.907   1.921
 1200TIP3   OH242317   0.100  -3.789   1.738
 1200TIP3    H142318   0.197  -3.783   1.739
 1200TIP3    H242319   0.074  -3.734   1.662
 1200TIP3   OH242320   0.716  -4.036   2.403
 1200TIP3    H142321   0.651  -4.033   2.477
 1200TIP3    H242322   0.656  -4.062   2.330
 1200TIP3   OH242323  -0.051  -3.674   1.513
 1200TIP3    H142324  -0.111  -3.695   1.439
 1200TIP3    H242325   0.029  -3.648   1.464
 1200TIP3   OH242326   1.021  -2.458   3.067
 1200TIP3    H142327   1.041  -2.411   2.985
 1200TIP3    H242328   1.089  -2.425   3.127
 1200TIP3   OH242329  -0.190  -3.197   3.008
 1200TIP3    H142330  -0.121  -3.187   3.077
 1200TIP3    H242331  -0.269  -3.191   3.065
 1200TIP3   OH242332   0.381  -3.697   2.281
 1200TIP3    H142333   0.457  -3.734   2.235
 1200TIP3    H242334   0.370  -3.758   2.356
 1200TIP3   OH242335  -0.104  -4.065   1.908
 1200TIP3    H142336  -0.149  -4.151   1.917
 1200TIP3    H242337  -0.022  -4.090   1.863
 1201TIP3   OH242338   0.277  -3.853   2.511
 1201TIP3    H142339   0.205  -3.787   2.505
 1201TIP3    H242340   0.328  -3.823   2.589
 1201TIP3   OH242341   0.294  -3.210   1.697
 1201TIP3    H142342   0.218  -3.260   1.661
 1201TIP3    H242343   0.274  -3.206   1.793
 1201TIP3   OH242344   1.015  -3.294   2.570
 1201TIP3    H142345   1.066  -3.239   2.506
 1201TIP3    H242346   0.930  -3.304   2.523
 1201TIP3   OH242347   0.710  -3.933   1.460
 1201TIP3    H142348   0.612  -3.938   1.461
 1201TIP3    H242349   0.729  -3.862   1.525
 1201TIP3   OH242350   0.454  -3.211   2.829
 1201TIP3    H142351   0.428  -3.238   2.918
 1201TIP3    H242352   0.428  -3.117   2.828
 1201TIP3   OH242353   0.775  -3.749   1.674
 1201TIP3    H142354   0.863  -3.762   1.716
 1201TIP3    H242355   0.784  -3.660   1.635
 1201TIP3   OH242356  -0.193  -3.274   2.281
 1201TIP3    H142357  -0.140  -3.279   2.199
 1201TIP3    H242358  -0.178  -3.362   2.319
 1201TIP3   OH242359   0.533  -3.073   1.590
 1201TIP3    H142360   0.507  -2.987   1.628
 1201TIP3    H242361   0.457  -3.128   1.617
 1201TIP3   OH242362  -0.463  -3.446   2.804
 1201TIP3    H142363  -0.451  -3.488   2.892
 1201TIP3    H242364  -0.534  -3.498   2.763
 1201TIP3   OH242365   0.229  -3.496   3.002
 1201TIP3    H142366   0.201  -3.514   2.911
 1201TIP3    H242367   0.324  -3.519   2.996
 1202TIP3   OH242368   0.683  -2.954   2.777
 1202TIP3    H142369   0.587  -2.941   2.770
 1202TIP3    H242370   0.701  -2.924   2.868
 1202TIP3   OH242371   1.235  -3.745   1.654
 1202TIP3    H142372   1.181  -3.765   1.576
 1202TIP3    H242373   1.248  -3.649   1.639
 1202TIP3   OH242374   1.283  -3.139   2.933
 1202TIP3    H142375   1.189  -3.119   2.914
 1202TIP3    H242376   1.316  -3.160   2.843
 1202TIP3   OH242377   1.055  -2.884   1.662
 1202TIP3    H142378   1.036  -2.961   1.716
 1202TIP3    H242379   1.111  -2.919   1.591
 1202TIP3   OH242380   0.781  -3.351   2.402
 1202TIP3    H142381   0.688  -3.365   2.376
 1202TIP3    H242382   0.826  -3.422   2.351
 1202TIP3   OH242383   0.044  -2.941   2.005
 1202TIP3    H142384   0.086  -2.855   1.992
 1202TIP3    H242385  -0.047  -2.921   1.982
 1202TIP3   OH242386  -0.354  -3.464   1.468
 1202TIP3    H142387  -0.297  -3.394   1.505
 1202TIP3    H242388  -0.443  -3.432   1.495
 1202TIP3   OH242389   0.228  -3.174   1.967
 1202TIP3    H142390   0.200  -3.081   1.980
 1202TIP3    H242391   0.155  -3.221   2.010
 1202TIP3   OH242392   0.245  -2.748   2.602
 1202TIP3    H142393   0.298  -2.672   2.572
 1202TIP3    H242394   0.309  -2.794   2.659
 1202TIP3   OH242395   0.090  -2.655   1.928
 1202TIP3    H142396  -0.006  -2.639   1.934
 1202TIP3    H242397   0.125  -2.566   1.949
 1203TIP3   OH242398   0.585  -3.173   2.558
 1203TIP3    H142399   0.558  -3.199   2.648
 1203TIP3    H242400   0.660  -3.232   2.542
 1203TIP3   OH242401   0.803  -3.042   1.451
 1203TIP3    H142402   0.845  -3.086   1.527
 1203TIP3    H242403   0.710  -3.055   1.475
 1203TIP3   OH242404   0.880  -2.715   2.797
 1203TIP3    H142405   0.804  -2.759   2.755
 1203TIP3    H242406   0.891  -2.635   2.743
 1203TIP3   OH242407   1.279  -2.612   1.500
 1203TIP3    H142408   1.349  -2.547   1.483
 1203TIP3    H242409   1.202  -2.552   1.502
 1203TIP3   OH242410   0.899  -3.180   1.690
 1203TIP3    H142411   0.873  -3.253   1.749
 1203TIP3    H242412   0.996  -3.182   1.697
 1203TIP3   OH242413  -0.363  -2.797   2.597
 1203TIP3    H142414  -0.326  -2.885   2.612
 1203TIP3    H242415  -0.336  -2.751   2.677
 1203TIP3   OH242416   0.227  -2.936   1.310
 1203TIP3    H142417   0.255  -3.014   1.259
 1203TIP3    H242418   0.184  -2.977   1.387
 1203TIP3   OH242419   0.114  -2.987   1.578
 1203TIP3    H142420   0.162  -3.038   1.644
 1203TIP3    H242421   0.124  -2.895   1.611
 1203TIP3   OH242422  -0.204  -3.241   1.622
 1203TIP3    H142423  -0.278  -3.202   1.671
 1203TIP3    H242424  -0.159  -3.161   1.589
 1203TIP3   OH242425   0.557  -4.009   2.629
 1203TIP3    H142426   0.619  -3.978   2.697
 1203TIP3    H242427   0.521  -4.091   2.666
 1204TIP3   OH242428   0.633  -4.057   1.745
 1204TIP3    H142429   0.641  -3.999   1.668
 1204TIP3    H242430   0.672  -4.001   1.815
 1204TIP3   OH242431   0.408  -2.820   1.645
 1204TIP3    H142432   0.322  -2.776   1.660
 1204TIP3    H242433   0.437  -2.782   1.562
 1204TIP3   OH242434   0.370  -3.854   1.844
 1204TIP3    H142435   0.442  -3.789   1.856
 1204TIP3    H242436   0.340  -3.866   1.937
 1204TIP3   OH242437   0.398  -3.763   2.759
 1204TIP3    H142438   0.409  -3.709   2.839
 1204TIP3    H242439   0.460  -3.835   2.775
 1204TIP3   OH242440   0.444  -4.172   1.949
 1204TIP3    H142441   0.403  -4.094   1.992
 1204TIP3    H242442   0.496  -4.129   1.879
 1204TIP3   OH242443   0.127  -2.720   1.645
 1204TIP3    H142444   0.115  -2.638   1.592
 1204TIP3    H242445   0.108  -2.686   1.735
 1204TIP3   OH242446  -0.006  -4.052   1.597
 1204TIP3    H142447  -0.002  -3.967   1.645
 1204TIP3    H242448   0.084  -4.086   1.617
 1204TIP3   OH242449   1.037  -3.965   2.842
 1204TIP3    H142450   0.941  -3.954   2.827
 1204TIP3    H242451   1.066  -3.980   2.750
 1204TIP3   OH242452   0.882  -3.575   2.250
 1204TIP3    H142453   0.801  -3.621   2.221
 1204TIP3    H242454   0.931  -3.647   2.295
 1204TIP3   OH242455  -0.163  -2.963   1.496
 1204TIP3    H142456  -0.092  -2.909   1.535
 1204TIP3    H242457  -0.112  -3.010   1.428
 1205TIP3   OH242458  -0.350  -3.746   1.409
 1205TIP3    H142459  -0.335  -3.651   1.430
 1205TIP3    H242460  -0.433  -3.743   1.361
 1205TIP3   OH242461   0.984  -2.689   2.388
 1205TIP3    H142462   0.965  -2.609   2.336
 1205TIP3    H242463   1.077  -2.673   2.411
 1205TIP3   OH242464  -0.334  -4.239   2.301
 1205TIP3    H142465  -0.294  -4.246   2.213
 1205TIP3    H242466  -0.315  -4.328   2.334
 1205TIP3   OH242467  -0.372  -2.896   1.912
 1205TIP3    H142468  -0.444  -2.837   1.940
 1205TIP3    H242469  -0.323  -2.838   1.851
 1205TIP3   OH242470  -0.425  -2.599   3.029
 1205TIP3    H142471  -0.368  -2.627   3.103
 1205TIP3    H242472  -0.465  -2.683   3.000
 1205TIP3   OH242473   0.039  -2.695   3.208
 1205TIP3    H142474   0.112  -2.755   3.228
 1205TIP3    H242475   0.021  -2.718   3.116
 1205TIP3   OH242476   0.449  -2.768   1.366
 1205TIP3    H142477   0.373  -2.828   1.348
 1205TIP3    H242478   0.519  -2.817   1.321
 1205TIP3   OH242479   0.692  -2.865   3.064
 1205TIP3    H142480   0.653  -2.946   3.102
 1205TIP3    H242481   0.760  -2.842   3.129
 1205TIP3   OH242482   0.911  -2.774   1.371
 1205TIP3    H142483   0.927  -2.856   1.420
 1205TIP3    H242484   0.989  -2.770   1.312
 1205TIP3   OH242485  -0.431  -3.234   3.142
 1205TIP3    H142486  -0.418  -3.323   3.105
 1205TIP3    H242487  -0.507  -3.203   3.089
 1206TIP3   OH242488  -0.009  -3.193   1.342
 1206TIP3    H142489   0.009  -3.252   1.417
 1206TIP3    H242490   0.077  -3.195   1.295
 1206TIP3   OH242491   0.232  -3.216   3.075
 1206TIP3    H142492   0.203  -3.181   2.989
 1206TIP3    H242493   0.239  -3.312   3.058
 1206TIP3   OH242494   0.515  -3.061   1.304
 1206TIP3    H142495   0.510  -3.065   1.400
 1206TIP3    H242496   0.510  -3.156   1.282
 1206TIP3   OH242497   0.770  -3.253   2.813
 1206TIP3    H142498   0.849  -3.201   2.793
 1206TIP3    H242499   0.701  -3.184   2.812
 1206TIP3   OH242500  -0.341  -3.526   3.057
 1206TIP3    H142501  -0.263  -3.583   3.063
 1206TIP3    H242502  -0.349  -3.498   3.150
 1206TIP3   OH242503   0.101  -3.385   1.577
 1206TIP3    H142504   0.039  -3.437   1.630
 1206TIP3    H242505   0.131  -3.453   1.512
 1206TIP3   OH242506   0.013  -3.611   2.792
 1206TIP3    H142507  -0.033  -3.530   2.820
 1206TIP3    H242508   0.086  -3.575   2.739
 1206TIP3   OH242509   0.194  -3.584   1.401
 1206TIP3    H142510   0.190  -3.575   1.304
 1206TIP3    H242511   0.290  -3.587   1.416
 1206TIP3   OH242512   0.551  -3.339   3.156
 1206TIP3    H142513   0.642  -3.355   3.126
 1206TIP3    H242514   0.529  -3.422   3.199
 1206TIP3   OH242515   1.147  -3.332   1.334
 1206TIP3    H142516   1.137  -3.374   1.247
 1206TIP3    H242517   1.136  -3.237   1.311
 1207TIP3   OH242518   0.068  -3.882   2.910
 1207TIP3    H142519   0.090  -3.945   2.839
 1207TIP3    H242520   0.062  -3.798   2.862
 1207TIP3   OH242521   0.118  -4.036   2.655
 1207TIP3    H142522   0.172  -3.981   2.594
 1207TIP3    H242523   0.027  -4.023   2.620
 1207TIP3   OH242524   0.267  -3.489   2.701
 1207TIP3    H142525   0.352  -3.496   2.654
 1207TIP3    H242526   0.237  -3.401   2.670
 1207TIP3   OH242527   0.725  -3.693   3.176
 1207TIP3    H142528   0.747  -3.786   3.197
 1207TIP3    H242529   0.814  -3.653   3.173
 1207TIP3   OH242530   0.824  -3.416   3.026
 1207TIP3    H142531   0.789  -3.353   2.959
 1207TIP3    H242532   0.915  -3.428   2.992
 1207TIP3   OH242533  -0.104  -3.704   3.096
 1207TIP3    H142534  -0.164  -3.780   3.086
 1207TIP3    H242535  -0.025  -3.734   3.049
 1207TIP3   OH242536   0.167  -4.276   2.774
 1207TIP3    H142537   0.178  -4.185   2.741
 1207TIP3    H242538   0.076  -4.292   2.748
 1207TIP3   OH242539   0.315  -3.844   3.072
 1207TIP3    H142540   0.287  -3.872   3.161
 1207TIP3    H242541   0.233  -3.865   3.023
 1207TIP3   OH242542   0.572  -3.947   2.969
 1207TIP3    H142543   0.484  -3.931   3.007
 1207TIP3    H242544   0.611  -4.010   3.033
 1207TIP3   OH242545   0.745  -4.138   3.137
 1207TIP3    H142546   0.732  -4.225   3.178
 1207TIP3    H242547   0.733  -4.077   3.212
 1208TIP3   OH242548  -0.271  -3.933   3.045
 1208TIP3    H142549  -0.270  -4.021   3.003
 1208TIP3    H242550  -0.296  -3.956   3.136
 1208TIP3   OH242551   0.278  -4.146   3.181
 1208TIP3    H142552   0.255  -4.229   3.135
 1208TIP3    H242553   0.192  -4.101   3.189
 1208TIP3   OH242554   0.170  -2.467   1.529
 1208TIP3    H142555   0.264  -2.467   1.513
 1208TIP3    H242556   0.135  -2.424   1.450
 1208TIP3   OH242557  -0.437  -3.023   1.469
 1208TIP3    H142558  -0.342  -3.000   1.478
 1208TIP3    H242559  -0.434  -3.097   1.405
 1208TIP3   OH242560  -0.526  -2.502   1.937
 1208TIP3    H142561  -0.601  -2.534   1.885
 1208TIP3    H242562  -0.521  -2.567   2.010
 1208TIP3   OH242563  -0.493  -2.696   2.140
 1208TIP3    H142564  -0.519  -2.781   2.178
 1208TIP3    H242565  -0.465  -2.648   2.220
 1208TIP3   OH242566   1.256  -2.573   2.438
 1208TIP3    H142567   1.272  -2.574   2.533
 1208TIP3    H242568   1.340  -2.542   2.404
 1208TIP3   OH242569   1.246  -2.628   2.725
 1208TIP3    H142570   1.194  -2.702   2.689
 1208TIP3    H242571   1.301  -2.675   2.789
 1208TIP3   OH242572   1.045  -3.086   3.156
 1208TIP3    H142573   0.956  -3.076   3.194
 1208TIP3    H242574   1.090  -3.005   3.184
 1208TIP3   OH242575   1.185  -3.195   1.728
 1208TIP3    H142576   1.276  -3.162   1.743
 1208TIP3    H242577   1.178  -3.258   1.801
 1209TIP3   OH242578   1.236  -3.399   1.929
 1209TIP3    H142579   1.166  -3.455   1.969
 1209TIP3    H242580   1.302  -3.391   2.000
 1209TIP3   OH242581   1.203  -3.149   2.424
 1209TIP3    H142582   1.265  -3.199   2.368
 1209TIP3    H242583   1.217  -3.058   2.392
 1209TIP3   OH242584   1.075  -2.858   2.648
 1209TIP3    H142585   1.002  -2.816   2.697
 1209TIP3    H242586   1.030  -2.893   2.569
 1209TIP3   OH242587   1.255  -3.455   1.584
 1209TIP3    H142588   1.206  -3.426   1.505
 1209TIP3    H242589   1.244  -3.378   1.642
 1209TIP3   OH242590   1.083  -3.699   1.409
 1209TIP3    H142591   1.111  -3.638   1.339
 1209TIP3    H242592   1.059  -3.779   1.359
 1209TIP3   OH242593   1.024  -3.583   2.006
 1209TIP3    H142594   1.018  -3.678   1.988
 1209TIP3    H242595   0.987  -3.576   2.097
 1209TIP3   OH242596  -0.490  -3.370   2.376
 1209TIP3    H142597  -0.467  -3.358   2.282
 1209TIP3    H242598  -0.401  -3.385   2.414
 1209TIP3   OH242599   1.086  -3.394   2.926
 1209TIP3    H142600   1.162  -3.454   2.936
 1209TIP3    H242601   1.128  -3.311   2.900
 1209TIP3   OH242602   1.242  -3.589   3.048
 1209TIP3    H142603   1.163  -3.638   3.020
 1209TIP3    H242604   1.312  -3.656   3.037
 1209TIP3   OH242605   1.025  -3.968   1.326
 1209TIP3    H142606   1.086  -4.012   1.388
 1209TIP3    H242607   0.944  -4.020   1.336
 1210TIP3   OH242608   1.008  -3.827   1.827
 1210TIP3    H142609   1.025  -3.924   1.832
 1210TIP3    H242610   1.089  -3.797   1.784
 1210TIP3   OH242611   1.035  -3.777   2.366
 1210TIP3    H142612   1.132  -3.765   2.360
 1210TIP3    H242613   1.024  -3.774   2.463
 1210TIP3   OH242614   1.049  -3.705   2.652
 1210TIP3    H142615   0.965  -3.662   2.677
 1210TIP3    H242616   1.105  -3.629   2.629
 1210TIP3   OH242617   1.268  -4.277   3.230
 1210TIP3    H142618   1.310  -4.359   3.206
 1210TIP3    H242619   1.266  -4.220   3.150
 1210TIP3   OH242620   1.037  -4.098   1.835
 1210TIP3    H142621   1.066  -4.149   1.912
 1210TIP3    H242622   0.977  -4.162   1.792
 1210TIP3   OH242623  -0.434  -3.990   2.306
 1210TIP3    H142624  -0.402  -4.083   2.308
 1210TIP3    H242625  -0.353  -3.942   2.331
 1210TIP3   OH242626  -0.561  -3.733   2.418
 1210TIP3    H142627  -0.511  -3.740   2.335
 1210TIP3    H242628  -0.532  -3.646   2.448
 1210TIP3   OH242629   1.242  -4.113   3.015
 1210TIP3    H142630   1.158  -4.064   3.021
 1210TIP3    H242631   1.237  -4.142   2.922
 1210TIP3   OH242632   1.250  -4.057   1.492
 1210TIP3    H142633   1.270  -4.143   1.450
 1210TIP3    H242634   1.337  -4.015   1.498
 1210TIP3   OH242635  -0.515  -4.101   1.807
 1210TIP3    H142636  -0.610  -4.093   1.786
 1210TIP3    H242637  -0.475  -4.033   1.748
 1211TIP3   OH242638   0.943  -2.568   2.018
 1211TIP3    H142639   0.991  -2.592   1.936
 1211TIP3    H242640   1.014  -2.530   2.072
 1211TIP3   OH242641  -0.532  -4.121   2.667
 1211TIP3    H142642  -0.522  -4.216   2.689
 1211TIP3    H242643  -0.552  -4.128   2.572
 1211TIP3   OH242644  -0.317  -2.907   3.091
 1211TIP3    H142645  -0.389  -2.897   3.026
 1211TIP3    H242646  -0.362  -2.895   3.175
 1211TIP3   OH242647  -0.030  -2.799   2.659
 1211TIP3    H142648  -0.062  -2.714   2.624
 1211TIP3    H242649   0.065  -2.789   2.640
 1211TIP3   OH242650   0.420  -2.670   2.958
 1211TIP3    H142651   0.435  -2.684   3.053
 1211TIP3    H242652   0.502  -2.622   2.932
 1211TIP3   OH242653   0.648  -2.523   2.882
 1211TIP3    H142654   0.717  -2.587   2.861
 1211TIP3    H242655   0.678  -2.491   2.970
 1211TIP3   OH242656   1.111  -4.276   2.794
 1211TIP3    H142657   1.056  -4.217   2.739
 1211TIP3    H242658   1.124  -4.351   2.733
 1211TIP3   OH242659  -0.295  -2.506   2.694
 1211TIP3    H142660  -0.349  -2.441   2.645
 1211TIP3    H242661  -0.333  -2.494   2.782
 1211TIP3   OH242662  -0.039  -2.526   2.550
 1211TIP3    H142663  -0.125  -2.505   2.592
 1211TIP3    H242664  -0.039  -2.465   2.474
 1211TIP3   OH242665   0.430  -2.525   2.500
 1211TIP3    H142666   0.387  -2.481   2.424
 1211TIP3    H242667   0.438  -2.451   2.563
 1212TIP3   OH242668   0.662  -2.654   2.594
 1212TIP3    H142669   0.578  -2.618   2.560
 1212TIP3    H242670   0.719  -2.576   2.591
 1212TIP3   OH242671   0.918  -2.481   2.613
 1212TIP3    H142672   0.911  -2.386   2.591
 1212TIP3    H242673   0.945  -2.517   2.526
 1212TIP3   OH242674  -0.336  -2.591   2.373
 1212TIP3    H142675  -0.330  -2.638   2.457
 1212TIP3    H242676  -0.258  -2.624   2.325
 1212TIP3   OH242677  -0.138  -2.746   2.229
 1212TIP3    H142678  -0.154  -2.838   2.258
 1212TIP3    H242679  -0.047  -2.730   2.259
 1212TIP3   OH242680   0.141  -2.699   2.317
 1212TIP3    H142681   0.161  -2.792   2.294
 1212TIP3    H242682   0.146  -2.702   2.413
 1212TIP3   OH242683   0.475  -4.113   2.252
 1212TIP3    H142684   0.410  -4.182   2.274
 1212TIP3    H242685   0.527  -4.155   2.182
 1212TIP3   OH242686   0.981  -4.330   2.292
 1212TIP3    H142687   1.055  -4.297   2.238
 1212TIP3    H242688   0.905  -4.295   2.244
 1212TIP3   OH242689   1.190  -4.223   2.072
 1212TIP3    H142690   1.253  -4.247   2.003
 1212TIP3    H242691   1.216  -4.130   2.089
 1212TIP3   OH242692  -0.294  -4.282   1.981
 1212TIP3    H142693  -0.385  -4.302   1.957
 1212TIP3    H242694  -0.261  -4.367   2.012
 1212TIP3   OH242695  -0.435  -4.291   1.604
 1212TIP3    H142696  -0.389  -4.244   1.531
 1212TIP3    H242697  -0.472  -4.216   1.653
 1213TIP3   OH242698   0.158  -4.222   2.016
 1213TIP3    H142699   0.246  -4.237   1.979
 1213TIP3    H242700   0.138  -4.303   2.064
 1213TIP3   OH242701   0.720  -4.270   2.144
 1213TIP3    H142702   0.747  -4.251   2.054
 1213TIP3    H242703   0.700  -4.365   2.142
 1213TIP3   OH242704   0.817  -4.273   1.745
 1213TIP3    H142705   0.746  -4.213   1.717
 1213TIP3    H242706   0.781  -4.360   1.728
 1213TIP3   OH242707  -0.393  -2.697   1.707
 1213TIP3    H142708  -0.456  -2.703   1.633
 1213TIP3    H242709  -0.390  -2.601   1.719
 1213TIP3   OH242710  -0.244  -4.129   1.448
 1213TIP3    H142711  -0.174  -4.160   1.388
 1213TIP3    H242712  -0.191  -4.074   1.510
 1213TIP3   OH242713   0.278  -4.061   1.676
 1213TIP3    H142714   0.287  -4.143   1.728
 1213TIP3    H242715   0.301  -3.991   1.740
 1213TIP3   OH242716   0.486  -2.500   1.504
 1213TIP3    H142717   0.581  -2.526   1.515
 1213TIP3    H242718   0.457  -2.578   1.452
 1213TIP3   OH242719   1.128  -2.610   1.776
 1213TIP3    H142720   1.104  -2.694   1.732
 1213TIP3    H242721   1.123  -2.548   1.702
 1213TIP3   OH242722  -0.338  -4.177   2.918
 1213TIP3    H142723  -0.374  -4.256   2.961
 1213TIP3    H242724  -0.250  -4.211   2.896
 1213TIP3   OH242725  -0.038  -4.280   3.187
 1213TIP3    H142726   0.050  -4.306   3.151
 1213TIP3    H242727  -0.058  -4.356   3.243
 1214TIP3   OH242728  -0.252  -2.609   1.387
 1214TIP3    H142729  -0.274  -2.568   1.473
 1214TIP3    H242730  -0.169  -2.656   1.406
 1214TIP3   OH242731   1.077  -2.734   3.016
 1214TIP3    H142732   1.003  -2.753   2.955
 1214TIP3    H242733   1.059  -2.640   3.036
 1214TIP3   OH242734   2.497  -3.366   2.031
 1214TIP3    H142735   2.496  -3.269   2.039
 1214TIP3    H242736   2.420  -3.381   1.974
 1214TIP3   OH242737   2.387  -3.425   2.339
 1214TIP3    H142738   2.376  -3.490   2.409
 1214TIP3    H242739   2.355  -3.476   2.263
 1214TIP3   OH242740   1.620  -3.457   2.511
 1214TIP3    H142741   1.629  -3.545   2.554
 1214TIP3    H242742   1.704  -3.416   2.538
 1214TIP3   OH242743   2.751  -3.148   2.169
 1214TIP3    H142744   2.712  -3.218   2.222
 1214TIP3    H242745   2.778  -3.085   2.238
 1214TIP3   OH242746   1.695  -3.002   2.355
 1214TIP3    H142747   1.673  -3.094   2.330
 1214TIP3    H242748   1.789  -3.013   2.376
 1214TIP3   OH242749   1.387  -3.664   1.892
 1214TIP3    H142750   1.352  -3.574   1.901
 1214TIP3    H242751   1.315  -3.707   1.844
 1214TIP3   OH242752   1.483  -3.432   2.096
 1214TIP3    H142753   1.502  -3.516   2.141
 1214TIP3    H242754   1.561  -3.423   2.039
 1214TIP3   OH242755   2.456  -2.612   2.225
 1214TIP3    H142756   2.515  -2.684   2.194
 1214TIP3    H242757   2.428  -2.646   2.311
 1215TIP3   OH242758   2.232  -3.171   2.397
 1215TIP3    H142759   2.263  -3.240   2.336
 1215TIP3    H242760   2.315  -3.156   2.446
 1215TIP3   OH242761   3.086  -4.017   2.449
 1215TIP3    H142762   3.121  -3.972   2.527
 1215TIP3    H242763   3.151  -3.989   2.382
 1215TIP3   OH242764   2.559  -3.741   2.445
 1215TIP3    H142765   2.577  -3.836   2.443
 1215TIP3    H242766   2.549  -3.722   2.351
 1215TIP3   OH242767   2.646  -3.922   1.988
 1215TIP3    H142768   2.708  -3.965   2.051
 1215TIP3    H242769   2.707  -3.877   1.928
 1215TIP3   OH242770   1.561  -3.691   2.228
 1215TIP3    H142771   1.637  -3.731   2.274
 1215TIP3    H242772   1.569  -3.734   2.141
 1215TIP3   OH242773   2.059  -3.523   2.151
 1215TIP3    H142774   2.128  -3.579   2.191
 1215TIP3    H242775   2.008  -3.590   2.099
 1215TIP3   OH242776   3.179  -3.842   2.724
 1215TIP3    H142777   3.105  -3.796   2.682
 1215TIP3    H242778   3.133  -3.899   2.787
 1215TIP3   OH242779   2.489  -3.080   1.908
 1215TIP3    H142780   2.455  -3.105   1.821
 1215TIP3    H242781   2.441  -2.997   1.926
 1215TIP3   OH242782   2.032  -3.272   2.583
 1215TIP3    H142783   1.957  -3.214   2.604
 1215TIP3    H242784   2.091  -3.212   2.533
 1215TIP3   OH242785   2.835  -4.015   2.190
 1215TIP3    H142786   2.785  -4.061   2.258
 1215TIP3    H242787   2.885  -3.950   2.244
 1216TIP3   OH242788   1.831  -3.082   2.655
 1216TIP3    H142789   1.827  -2.990   2.622
 1216TIP3    H242790   1.743  -3.089   2.697
 1216TIP3   OH242791   1.460  -3.112   1.742
 1216TIP3    H142792   1.443  -3.062   1.660
 1216TIP3    H242793   1.478  -3.041   1.807
 1216TIP3   OH242794   2.806  -2.968   2.417
 1216TIP3    H142795   2.710  -2.955   2.420
 1216TIP3    H242796   2.835  -2.881   2.383
 1216TIP3   OH242797   2.849  -4.107   2.593
 1216TIP3    H142798   2.768  -4.078   2.548
 1216TIP3    H242799   2.914  -4.097   2.522
 1216TIP3   OH242800   2.137  -4.306   2.317
 1216TIP3    H142801   2.133  -4.400   2.298
 1216TIP3    H242802   2.044  -4.277   2.318
 1216TIP3   OH242803   2.638  -2.775   2.078
 1216TIP3    H142804   2.686  -2.853   2.044
 1216TIP3    H242805   2.703  -2.704   2.063
 1216TIP3   OH242806   2.783  -2.988   1.936
 1216TIP3    H142807   2.728  -3.033   1.870
 1216TIP3    H242808   2.777  -3.051   2.010
 1216TIP3   OH242809   2.925  -3.109   2.785
 1216TIP3    H142810   2.921  -3.167   2.707
 1216TIP3    H242811   2.940  -3.022   2.744
 1216TIP3   OH242812   2.362  -3.415   1.757
 1216TIP3    H142813   2.295  -3.355   1.719
 1216TIP3    H242814   2.432  -3.410   1.690
 1216TIP3   OH242815   2.390  -3.595   1.461
 1216TIP3    H142816   2.460  -3.565   1.522
 1216TIP3    H242817   2.441  -3.653   1.403
 1217TIP3   OH242818   3.109  -3.489   2.579
 1217TIP3    H142819   3.038  -3.421   2.582
 1217TIP3    H242820   3.160  -3.457   2.502
 1217TIP3   OH242821   2.713  -3.414   1.863
 1217TIP3    H142822   2.644  -3.392   1.930
 1217TIP3    H242823   2.772  -3.471   1.916
 1217TIP3   OH242824   2.704  -3.530   2.811
 1217TIP3    H142825   2.691  -3.432   2.821
 1217TIP3    H242826   2.642  -3.541   2.736
 1217TIP3   OH242827   1.872  -3.339   2.041
 1217TIP3    H142828   1.840  -3.383   1.960
 1217TIP3    H242829   1.937  -3.404   2.074
 1217TIP3   OH242830   2.010  -2.996   2.315
 1217TIP3    H142831   1.997  -3.037   2.228
 1217TIP3    H242832   2.089  -3.043   2.348
 1217TIP3   OH242833   1.933  -3.487   2.411
 1217TIP3    H142834   1.975  -3.481   2.324
 1217TIP3    H242835   1.963  -3.408   2.457
 1217TIP3   OH242836   2.523  -2.904   2.449
 1217TIP3    H142837   2.530  -2.835   2.518
 1217TIP3    H242838   2.504  -2.985   2.498
 1217TIP3   OH242839   2.014  -3.027   2.876
 1217TIP3    H142840   1.963  -2.957   2.921
 1217TIP3    H242841   1.953  -3.053   2.805
 1217TIP3   OH242842   2.609  -3.472   1.609
 1217TIP3    H142843   2.656  -3.443   1.691
 1217TIP3    H242844   2.658  -3.420   1.541
 1217TIP3   OH242845   1.717  -3.389   2.792
 1217TIP3    H142846   1.712  -3.329   2.868
 1217TIP3    H242847   1.623  -3.400   2.768
 1218TIP3   OH242848   2.355  -2.810   1.966
 1218TIP3    H142849   2.400  -2.779   2.046
 1218TIP3    H242850   2.305  -2.732   1.938
 1218TIP3   OH242851   1.827  -2.808   2.955
 1218TIP3    H142852   1.815  -2.802   2.858
 1218TIP3    H242853   1.738  -2.833   2.986
 1218TIP3   OH242854   2.930  -4.325   1.532
 1218TIP3    H142855   2.882  -4.323   1.617
 1218TIP3    H242856   3.005  -4.268   1.553
 1218TIP3   OH242857   1.766  -3.462   1.797
 1218TIP3    H142858   1.742  -3.389   1.736
 1218TIP3    H242859   1.705  -3.532   1.771
 1218TIP3   OH242860   3.090  -2.882   1.412
 1218TIP3    H142861   3.105  -2.789   1.436
 1218TIP3    H242862   3.177  -2.923   1.432
 1218TIP3   OH242863   1.370  -3.195   2.667
 1218TIP3    H142864   1.328  -3.196   2.579
 1218TIP3    H242865   1.385  -3.290   2.684
 1218TIP3   OH242866   1.376  -2.903   2.359
 1218TIP3    H142867   1.468  -2.933   2.365
 1218TIP3    H242868   1.371  -2.843   2.435
 1218TIP3   OH242869   3.200  -2.858   2.936
 1218TIP3    H142870   3.184  -2.954   2.927
 1218TIP3    H242871   3.112  -2.826   2.964
 1218TIP3   OH242872   2.279  -2.921   2.817
 1218TIP3    H142873   2.288  -2.838   2.868
 1218TIP3    H242874   2.188  -2.948   2.840
 1218TIP3   OH242875   2.309  -2.538   1.815
 1218TIP3    H142876   2.307  -2.530   1.718
 1218TIP3    H242877   2.313  -2.446   1.844
 1219TIP3   OH242878   1.689  -2.624   1.977
 1219TIP3    H142879   1.703  -2.670   2.062
 1219TIP3    H242880   1.606  -2.664   1.947
 1219TIP3   OH242881   2.640  -2.595   1.533
 1219TIP3    H142882   2.695  -2.662   1.488
 1219TIP3    H242883   2.632  -2.634   1.623
 1219TIP3   OH242884   2.577  -2.653   1.814
 1219TIP3    H142885   2.482  -2.640   1.826
 1219TIP3    H242886   2.592  -2.726   1.876
 1219TIP3   OH242887   1.589  -3.041   2.792
 1219TIP3    H142888   1.617  -3.089   2.872
 1219TIP3    H242889   1.516  -3.095   2.758
 1219TIP3   OH242890   2.369  -4.261   2.743
 1219TIP3    H142891   2.383  -4.312   2.823
 1219TIP3    H242892   2.275  -4.277   2.726
 1219TIP3   OH242893   2.662  -3.864   2.784
 1219TIP3    H142894   2.603  -3.879   2.860
 1219TIP3    H242895   2.655  -3.768   2.770
 1219TIP3   OH242896   2.764  -3.362   1.410
 1219TIP3    H142897   2.743  -3.379   1.316
 1219TIP3    H242898   2.857  -3.337   1.403
 1219TIP3   OH242899   2.329  -3.994   1.454
 1219TIP3    H142900   2.275  -4.004   1.536
 1219TIP3    H242901   2.279  -4.054   1.395
 1219TIP3   OH242902   1.897  -3.697   1.995
 1219TIP3    H142903   1.808  -3.735   2.008
 1219TIP3    H242904   1.923  -3.741   1.913
 1219TIP3   OH242905   2.450  -3.651   1.875
 1219TIP3    H142906   2.409  -3.569   1.842
 1219TIP3    H242907   2.516  -3.669   1.806
 1220TIP3   OH242908   2.369  -3.627   3.033
 1220TIP3    H142909   2.311  -3.706   3.042
 1220TIP3    H242910   2.457  -3.665   3.042
 1220TIP3   OH242911   2.541  -3.711   2.152
 1220TIP3    H142912   2.507  -3.653   2.080
 1220TIP3    H242913   2.558  -3.792   2.100
 1220TIP3   OH242914   1.618  -3.691   2.687
 1220TIP3    H142915   1.668  -3.676   2.768
 1220TIP3    H242916   1.611  -3.788   2.688
 1220TIP3   OH242917   1.966  -3.945   1.354
 1220TIP3    H142918   1.931  -3.981   1.437
 1220TIP3    H242919   1.887  -3.928   1.301
 1220TIP3   OH242920   1.312  -3.971   2.067
 1220TIP3    H142921   1.376  -3.952   2.138
 1220TIP3    H242922   1.369  -3.987   1.991
 1220TIP3   OH242923   1.469  -3.912   1.626
 1220TIP3    H142924   1.526  -3.862   1.565
 1220TIP3    H242925   1.400  -3.845   1.646
 1220TIP3   OH242926   2.486  -3.550   2.629
 1220TIP3    H142927   2.505  -3.615   2.557
 1220TIP3    H242928   2.407  -3.587   2.671
 1220TIP3   OH242929   2.130  -3.949   2.105
 1220TIP3    H142930   2.036  -3.940   2.128
 1220TIP3    H242931   2.169  -3.964   2.192
 1220TIP3   OH242932   1.616  -3.826   1.975
 1220TIP3    H142933   1.541  -3.799   1.919
 1220TIP3    H242934   1.654  -3.904   1.930
 1220TIP3   OH242935   1.987  -3.798   1.730
 1220TIP3    H142936   2.082  -3.782   1.742
 1220TIP3    H242937   1.959  -3.730   1.667
 1221TIP3   OH242938   2.599  -4.034   2.401
 1221TIP3    H142939   2.533  -4.035   2.473
 1221TIP3    H242940   2.544  -4.064   2.327
 1221TIP3   OH242941   1.830  -3.668   1.512
 1221TIP3    H142942   1.774  -3.696   1.438
 1221TIP3    H242943   1.913  -3.649   1.465
 1221TIP3   OH242944   1.696  -3.195   3.011
 1221TIP3    H142945   1.763  -3.183   3.082
 1221TIP3    H242946   1.615  -3.196   3.065
 1221TIP3   OH242947   2.272  -3.693   2.288
 1221TIP3    H142948   2.337  -3.748   2.241
 1221TIP3    H242949   2.239  -3.754   2.357
 1221TIP3   OH242950   1.787  -4.053   1.900
 1221TIP3    H142951   1.750  -4.135   1.936
 1221TIP3    H242952   1.875  -4.080   1.872
 1221TIP3   OH242953   2.146  -3.829   2.516
 1221TIP3    H142954   2.058  -3.790   2.505
 1221TIP3    H242955   2.176  -3.798   2.604
 1221TIP3   OH242956   2.178  -3.209   1.696
 1221TIP3    H142957   2.102  -3.260   1.661
 1221TIP3    H242958   2.159  -3.206   1.793
 1221TIP3   OH242959   2.900  -3.298   2.570
 1221TIP3    H142960   2.950  -3.242   2.507
 1221TIP3    H242961   2.815  -3.307   2.522
 1221TIP3   OH242962   2.596  -3.930   1.457
 1221TIP3    H142963   2.498  -3.939   1.460
 1221TIP3    H242964   2.614  -3.863   1.526
 1221TIP3   OH242965   2.355  -3.207   2.834
 1221TIP3    H142966   2.308  -3.239   2.912
 1221TIP3    H242967   2.318  -3.117   2.824
 1222TIP3   OH242968   2.661  -3.749   1.673
 1222TIP3    H142969   2.748  -3.762   1.716
 1222TIP3    H242970   2.670  -3.660   1.635
 1222TIP3   OH242971   1.709  -3.275   2.283
 1222TIP3    H142972   1.757  -3.290   2.200
 1222TIP3    H242973   1.702  -3.365   2.319
 1222TIP3   OH242974   2.419  -3.073   1.589
 1222TIP3    H142975   2.393  -2.987   1.628
 1222TIP3    H242976   2.343  -3.129   1.616
 1222TIP3   OH242977   1.409  -3.439   2.810
 1222TIP3    H142978   1.436  -3.490   2.889
 1222TIP3    H242979   1.363  -3.505   2.756
 1222TIP3   OH242980   2.112  -3.495   3.006
 1222TIP3    H142981   2.068  -3.520   2.922
 1222TIP3    H242982   2.204  -3.519   2.985
 1222TIP3   OH242983   2.572  -2.961   2.777
 1222TIP3    H142984   2.476  -2.947   2.770
 1222TIP3    H242985   2.591  -2.926   2.865
 1222TIP3   OH242986   3.123  -3.746   1.653
 1222TIP3    H142987   3.066  -3.765   1.575
 1222TIP3    H242988   3.134  -3.650   1.639
 1222TIP3   OH242989   3.158  -3.157   2.936
 1222TIP3    H142990   3.063  -3.141   2.914
 1222TIP3    H242991   3.194  -3.168   2.846
 1222TIP3   OH242992   2.943  -2.883   1.663
 1222TIP3    H142993   2.919  -2.960   1.717
 1222TIP3    H242994   2.996  -2.921   1.592
 1222TIP3   OH242995   2.668  -3.351   2.401
 1222TIP3    H142996   2.574  -3.365   2.376
 1222TIP3    H242997   2.710  -3.423   2.349
 1223TIP3   OH242998   1.931  -2.942   2.004
 1223TIP3    H142999   1.973  -2.855   1.991
 1223TIP3    H243000   1.839  -2.923   1.980
 1223TIP3   OH243001   1.530  -3.463   1.465
 1223TIP3    H143002   1.588  -3.396   1.505
 1223TIP3    H243003   1.442  -3.434   1.498
 1223TIP3   OH243004   2.115  -3.172   1.968
 1223TIP3    H143005   2.081  -3.082   1.981
 1223TIP3    H243006   2.045  -3.225   2.010
 1223TIP3   OH243007   2.130  -2.747   2.602
 1223TIP3    H143008   2.186  -2.672   2.573
 1223TIP3    H243009   2.193  -2.796   2.658
 1223TIP3   OH243010   1.975  -2.652   1.928
 1223TIP3    H143011   1.879  -2.637   1.934
 1223TIP3    H243012   2.010  -2.563   1.949
 1223TIP3   OH243013   2.476  -3.176   2.563
 1223TIP3    H143014   2.448  -3.199   2.654
 1223TIP3    H243015   2.549  -3.238   2.547
 1223TIP3   OH243016   2.689  -3.040   1.451
 1223TIP3    H143017   2.730  -3.087   1.526
 1223TIP3    H243018   2.596  -3.055   1.474
 1223TIP3   OH243019   2.769  -2.716   2.800
 1223TIP3    H143020   2.693  -2.754   2.752
 1223TIP3    H243021   2.784  -2.633   2.749
 1223TIP3   OH243022   3.163  -2.615   1.504
 1223TIP3    H143023   3.231  -2.550   1.481
 1223TIP3    H243024   3.085  -2.557   1.506
 1223TIP3   OH243025   1.563  -3.963   2.763
 1223TIP3    H143026   1.481  -3.949   2.713
 1223TIP3    H243027   1.549  -4.055   2.790
 1224TIP3   OH243028   2.785  -3.180   1.689
 1224TIP3    H143029   2.757  -3.252   1.748
 1224TIP3    H243030   2.882  -3.182   1.699
 1224TIP3   OH243031   1.527  -2.803   2.606
 1224TIP3    H143032   1.556  -2.894   2.622
 1224TIP3    H243033   1.549  -2.762   2.691
 1224TIP3   OH243034   2.113  -2.936   1.309
 1224TIP3    H143035   2.140  -3.015   1.258
 1224TIP3    H243036   2.069  -2.977   1.386
 1224TIP3   OH243037   1.997  -2.985   1.579
 1224TIP3    H143038   2.048  -3.038   1.643
 1224TIP3    H243039   2.011  -2.894   1.612
 1224TIP3   OH243040   1.680  -3.241   1.619
 1224TIP3    H143041   1.608  -3.203   1.672
 1224TIP3    H243042   1.727  -3.161   1.591
 1224TIP3   OH243043   2.436  -4.003   2.632
 1224TIP3    H143044   2.507  -3.983   2.695
 1224TIP3    H243045   2.403  -4.089   2.662
 1224TIP3   OH243046   2.526  -4.059   1.744
 1224TIP3    H143047   2.524  -3.998   1.669
 1224TIP3    H243048   2.555  -4.001   1.816
 1224TIP3   OH243049   2.292  -2.821   1.643
 1224TIP3    H143050   2.209  -2.773   1.659
 1224TIP3    H243051   2.326  -2.776   1.564
 1224TIP3   OH243052   2.256  -3.857   1.855
 1224TIP3    H143053   2.326  -3.789   1.868
 1224TIP3    H243054   2.214  -3.863   1.943
 1224TIP3   OH243055   2.273  -3.765   2.762
 1224TIP3    H143056   2.297  -3.705   2.833
 1224TIP3    H243057   2.341  -3.833   2.761
 1225TIP3   OH243058   2.332  -4.168   1.956
 1225TIP3    H143059   2.290  -4.089   1.993
 1225TIP3    H243060   2.377  -4.130   1.878
 1225TIP3   OH243061   2.013  -2.715   1.643
 1225TIP3    H143062   2.005  -2.635   1.587
 1225TIP3    H243063   1.998  -2.680   1.732
 1225TIP3   OH243064   1.874  -4.049   1.602
 1225TIP3    H143065   1.878  -3.966   1.653
 1225TIP3    H243066   1.959  -4.089   1.627
 1225TIP3   OH243067   2.932  -3.964   2.840
 1225TIP3    H143068   2.838  -3.940   2.838
 1225TIP3    H243069   2.941  -3.993   2.748
 1225TIP3   OH243070   2.767  -3.574   2.249
 1225TIP3    H143071   2.686  -3.618   2.220
 1225TIP3    H243072   2.816  -3.647   2.294
 1225TIP3   OH243073   1.723  -2.961   1.496
 1225TIP3    H143074   1.797  -2.911   1.535
 1225TIP3    H243075   1.772  -3.010   1.428
 1225TIP3   OH243076   1.538  -3.745   1.406
 1225TIP3    H143077   1.552  -3.651   1.429
 1225TIP3    H243078   1.451  -3.743   1.365
 1225TIP3   OH243079   2.870  -2.690   2.389
 1225TIP3    H143080   2.850  -2.606   2.343
 1225TIP3    H243081   2.962  -2.674   2.415
 1225TIP3   OH243082   1.600  -4.238   2.323
 1225TIP3    H143083   1.642  -4.218   2.238
 1225TIP3    H243084   1.582  -4.332   2.315
 1225TIP3   OH243085   1.519  -2.889   1.914
 1225TIP3    H143086   1.441  -2.837   1.937
 1225TIP3    H243087   1.557  -2.837   1.842
 1226TIP3   OH243088   1.462  -2.599   3.027
 1226TIP3    H143089   1.517  -2.626   3.102
 1226TIP3    H243090   1.421  -2.684   3.000
 1226TIP3   OH243091   1.925  -2.697   3.209
 1226TIP3    H143092   2.000  -2.756   3.225
 1226TIP3    H243093   1.905  -2.717   3.116
 1226TIP3   OH243094   2.335  -2.767   1.360
 1226TIP3    H143095   2.258  -2.827   1.349
 1226TIP3    H243096   2.405  -2.822   1.321
 1226TIP3   OH243097   2.573  -2.862   3.065
 1226TIP3    H143098   2.539  -2.945   3.103
 1226TIP3    H243099   2.645  -2.839   3.126
 1226TIP3   OH243100   2.798  -2.774   1.370
 1226TIP3    H143101   2.810  -2.857   1.420
 1226TIP3    H243102   2.876  -2.773   1.312
 1226TIP3   OH243103   1.455  -3.236   3.141
 1226TIP3    H143104   1.465  -3.326   3.104
 1226TIP3    H243105   1.379  -3.204   3.089
 1226TIP3   OH243106   1.877  -3.193   1.342
 1226TIP3    H143107   1.893  -3.252   1.417
 1226TIP3    H243108   1.963  -3.197   1.296
 1226TIP3   OH243109   2.122  -3.219   3.072
 1226TIP3    H143110   2.087  -3.180   2.990
 1226TIP3    H243111   2.120  -3.315   3.054
 1226TIP3   OH243112   2.402  -3.060   1.304
 1226TIP3    H143113   2.396  -3.065   1.401
 1226TIP3    H243114   2.396  -3.155   1.281
 1226TIP3   OH243115   2.664  -3.263   2.846
 1226TIP3    H143116   2.731  -3.200   2.815
 1226TIP3    H243117   2.583  -3.210   2.836
 1227TIP3   OH243118   1.541  -3.520   3.057
 1227TIP3    H143119   1.612  -3.586   3.057
 1227TIP3    H243120   1.535  -3.500   3.152
 1227TIP3   OH243121   1.986  -3.385   1.577
 1227TIP3    H143122   1.925  -3.436   1.632
 1227TIP3    H243123   2.015  -3.453   1.512
 1227TIP3   OH243124   1.918  -3.605   2.800
 1227TIP3    H143125   1.853  -3.533   2.809
 1227TIP3    H243126   1.962  -3.579   2.717
 1227TIP3   OH243127   2.080  -3.583   1.401
 1227TIP3    H143128   2.076  -3.575   1.304
 1227TIP3    H243129   2.176  -3.588   1.416
 1227TIP3   OH243130   2.437  -3.331   3.164
 1227TIP3    H143131   2.523  -3.334   3.122
 1227TIP3    H243132   2.412  -3.424   3.172
 1227TIP3   OH243133   3.033  -3.332   1.333
 1227TIP3    H143134   3.021  -3.374   1.247
 1227TIP3    H243135   3.021  -3.237   1.309
 1227TIP3   OH243136   1.969  -3.875   2.913
 1227TIP3    H143137   1.965  -3.943   2.844
 1227TIP3    H243138   1.949  -3.795   2.861
 1227TIP3   OH243139   1.990  -4.041   2.648
 1227TIP3    H143140   2.051  -3.988   2.594
 1227TIP3    H243141   1.908  -4.023   2.597
 1227TIP3   OH243142   2.177  -3.479   2.705
 1227TIP3    H143143   2.238  -3.489   2.632
 1227TIP3    H243144   2.125  -3.401   2.675
 1227TIP3   OH243145   2.657  -3.678   3.171
 1227TIP3    H143146   2.628  -3.771   3.169
 1227TIP3    H243147   2.745  -3.690   3.213
 1228TIP3   OH243148   1.797  -3.700   3.103
 1228TIP3    H143149   1.736  -3.775   3.092
 1228TIP3    H243150   1.869  -3.726   3.044
 1228TIP3   OH243151   2.062  -4.282   2.779
 1228TIP3    H143152   2.060  -4.190   2.743
 1228TIP3    H243153   1.973  -4.311   2.753
 1228TIP3   OH243154   2.200  -3.843   3.075
 1228TIP3    H143155   2.159  -3.873   3.158
 1228TIP3    H243156   2.125  -3.860   3.014
 1228TIP3   OH243157   2.466  -3.934   2.980
 1228TIP3    H143158   2.371  -3.934   3.003
 1228TIP3    H243159   2.498  -4.010   3.032
 1228TIP3   OH243160   2.631  -4.121   3.157
 1228TIP3    H143161   2.616  -4.214   3.180
 1228TIP3    H243162   2.605  -4.075   3.238
 1228TIP3   OH243163   1.663  -3.957   3.076
 1228TIP3    H143164   1.638  -4.017   3.003
 1228TIP3    H243165   1.621  -4.000   3.152
 1228TIP3   OH243166   2.168  -4.142   3.182
 1228TIP3    H143167   2.145  -4.226   3.137
 1228TIP3    H243168   2.081  -4.098   3.188
 1228TIP3   OH243169   2.058  -2.461   1.512
 1228TIP3    H143170   2.154  -2.448   1.520
 1228TIP3    H243171   2.041  -2.414   1.429
 1228TIP3   OH243172   1.448  -3.021   1.467
 1228TIP3    H143173   1.544  -3.001   1.478
 1228TIP3    H243174   1.451  -3.098   1.407
 1228TIP3   OH243175   1.348  -2.501   1.938
 1228TIP3    H143176   1.277  -2.538   1.883
 1228TIP3    H243177   1.357  -2.570   2.007
 1229TIP3   OH243178   1.387  -2.699   2.137
 1229TIP3    H143179   1.357  -2.786   2.168
 1229TIP3    H243180   1.421  -2.663   2.220
 1229TIP3   OH243181   3.141  -2.576   2.441
 1229TIP3    H143182   3.149  -2.569   2.538
 1229TIP3    H243183   3.228  -2.547   2.413
 1229TIP3   OH243184   3.134  -2.617   2.722
 1229TIP3    H143185   3.074  -2.690   2.698
 1229TIP3    H243186   3.182  -2.655   2.797
 1229TIP3   OH243187   2.933  -3.080   3.161
 1229TIP3    H143188   2.844  -3.066   3.198
 1229TIP3    H243189   2.978  -2.998   3.184
 1229TIP3   OH243190   3.071  -3.194   1.727
 1229TIP3    H143191   3.162  -3.162   1.744
 1229TIP3    H243192   3.062  -3.258   1.800
 1229TIP3   OH243193   3.116  -3.398   1.925
 1229TIP3    H143194   3.050  -3.455   1.968
 1229TIP3    H243195   3.185  -3.387   1.993
 1229TIP3   OH243196   3.089  -3.151   2.426
 1229TIP3    H143197   3.150  -3.197   2.366
 1229TIP3    H243198   3.099  -3.059   2.396
 1229TIP3   OH243199   2.961  -2.861   2.651
 1229TIP3    H143200   2.889  -2.815   2.698
 1229TIP3    H243201   2.916  -2.893   2.570
 1229TIP3   OH243202   3.143  -3.454   1.583
 1229TIP3    H143203   3.091  -3.426   1.505
 1229TIP3    H243204   3.129  -3.379   1.643
 1229TIP3   OH243205   2.971  -3.699   1.409
 1229TIP3    H143206   2.996  -3.639   1.338
 1229TIP3    H243207   2.944  -3.779   1.360
 1230TIP3   OH243208   2.912  -3.584   2.008
 1230TIP3    H143209   2.903  -3.679   1.988
 1230TIP3    H243210   2.872  -3.577   2.096
 1230TIP3   OH243211   1.395  -3.361   2.377
 1230TIP3    H143212   1.421  -3.364   2.283
 1230TIP3    H243213   1.479  -3.385   2.420
 1230TIP3   OH243214   3.065  -3.584   3.021
 1230TIP3    H143215   3.042  -3.653   2.957
 1230TIP3    H243216   3.161  -3.601   3.030
 1230TIP3   OH243217   2.911  -3.968   1.326
 1230TIP3    H143218   2.969  -4.013   1.390
 1230TIP3    H243219   2.829  -4.018   1.334
 1230TIP3   OH243220   2.894  -3.827   1.827
 1230TIP3    H143221   2.911  -3.924   1.832
 1230TIP3    H243222   2.976  -3.797   1.783
 1230TIP3   OH243223   2.919  -3.774   2.366
 1230TIP3    H143224   3.017  -3.767   2.363
 1230TIP3    H243225   2.905  -3.776   2.462
 1230TIP3   OH243226   2.933  -3.702   2.657
 1230TIP3    H143227   2.851  -3.660   2.687
 1230TIP3    H243228   2.985  -3.625   2.626
 1230TIP3   OH243229   1.386  -3.836   3.019
 1230TIP3    H143230   1.479  -3.860   3.007
 1230TIP3    H243231   1.344  -3.923   3.022
 1230TIP3   OH243232   3.146  -4.275   3.225
 1230TIP3    H143233   3.205  -4.349   3.207
 1230TIP3    H243234   3.155  -4.215   3.147
 1230TIP3   OH243235   2.923  -4.098   1.834
 1230TIP3    H143236   2.945  -4.150   1.913
 1230TIP3    H243237   2.861  -4.159   1.789
 1231TIP3   OH243238   1.488  -3.991   2.312
 1231TIP3    H143239   1.527  -4.081   2.325
 1231TIP3    H243240   1.568  -3.940   2.336
 1231TIP3   OH243241   1.315  -3.721   2.389
 1231TIP3    H143242   1.388  -3.743   2.328
 1231TIP3    H243243   1.359  -3.654   2.443
 1231TIP3   OH243244   3.131  -4.106   3.010
 1231TIP3    H143245   3.045  -4.061   3.010
 1231TIP3    H243246   3.127  -4.146   2.921
 1231TIP3   OH243247   3.137  -4.059   1.498
 1231TIP3    H143248   3.154  -4.143   1.449
 1231TIP3    H243249   3.223  -4.014   1.494
 1231TIP3   OH243250   1.369  -4.107   1.799
 1231TIP3    H143251   1.275  -4.090   1.786
 1231TIP3    H243252   1.411  -4.035   1.748
 1231TIP3   OH243253   2.829  -2.564   2.016
 1231TIP3    H143254   2.877  -2.592   1.937
 1231TIP3    H243255   2.899  -2.534   2.074
 1231TIP3   OH243256   1.362  -4.149   2.653
 1231TIP3    H143257   1.303  -4.219   2.684
 1231TIP3    H243258   1.327  -4.128   2.565
 1231TIP3   OH243259   1.570  -2.899   3.093
 1231TIP3    H143260   1.500  -2.900   3.026
 1231TIP3    H243261   1.520  -2.898   3.175
 1231TIP3   OH243262   1.854  -2.797   2.658
 1231TIP3    H143263   1.823  -2.712   2.622
 1231TIP3    H243264   1.950  -2.788   2.640
 1231TIP3   OH243265   2.304  -2.669   2.958
 1231TIP3    H143266   2.321  -2.684   3.052
 1231TIP3    H243267   2.385  -2.622   2.931
 1232TIP3   OH243268   2.530  -2.526   2.885
 1232TIP3    H143269   2.601  -2.586   2.855
 1232TIP3    H243270   2.570  -2.490   2.966
 1232TIP3   OH243271   2.992  -4.276   2.804
 1232TIP3    H143272   2.941  -4.214   2.748
 1232TIP3    H243273   3.013  -4.343   2.738
 1232TIP3   OH243274   1.592  -2.502   2.691
 1232TIP3    H143275   1.532  -2.440   2.646
 1232TIP3    H243276   1.557  -2.499   2.780
 1232TIP3   OH243277   1.842  -2.525   2.546
 1232TIP3    H143278   1.755  -2.507   2.590
 1232TIP3    H243279   1.844  -2.457   2.477
 1232TIP3   OH243280   2.317  -2.527   2.502
 1232TIP3    H143281   2.279  -2.482   2.425
 1232TIP3    H243282   2.326  -2.452   2.565
 1232TIP3   OH243283   2.556  -2.650   2.593
 1232TIP3    H143284   2.472  -2.614   2.559
 1232TIP3    H243285   2.612  -2.571   2.591
 1232TIP3   OH243286   2.805  -2.490   2.627
 1232TIP3    H143287   2.817  -2.393   2.624
 1232TIP3    H243288   2.842  -2.516   2.542
 1232TIP3   OH243289   1.550  -2.623   2.385
 1232TIP3    H143290   1.548  -2.673   2.470
 1232TIP3    H243291   1.625  -2.667   2.341
 1232TIP3   OH243292   1.751  -2.747   2.230
 1232TIP3    H143293   1.736  -2.841   2.255
 1232TIP3    H243294   1.843  -2.733   2.260
 1232TIP3   OH243295   2.028  -2.701   2.317
 1232TIP3    H143296   2.046  -2.794   2.295
 1232TIP3    H243297   2.034  -2.705   2.414
 1233TIP3   OH243298   2.357  -4.108   2.251
 1233TIP3    H143299   2.288  -4.172   2.277
 1233TIP3    H243300   2.405  -4.156   2.182
 1233TIP3   OH243301   2.884  -4.328   2.294
 1233TIP3    H143302   2.944  -4.289   2.228
 1233TIP3    H243303   2.797  -4.306   2.258
 1233TIP3   OH243304   3.084  -4.226   2.077
 1233TIP3    H143305   3.134  -4.246   1.997
 1233TIP3    H243306   3.099  -4.130   2.086
 1233TIP3   OH243307   1.590  -4.280   1.976
 1233TIP3    H143308   1.500  -4.310   1.959
 1233TIP3    H243309   1.632  -4.358   2.014
 1233TIP3   OH243310   1.448  -4.291   1.602
 1233TIP3    H143311   1.498  -4.243   1.532
 1233TIP3    H243312   1.417  -4.217   1.657
 1233TIP3   OH243313   2.055  -4.248   1.983
 1233TIP3    H143314   2.150  -4.229   1.993
 1233TIP3    H243315   2.030  -4.288   2.067
 1233TIP3   OH243316   2.607  -4.267   2.145
 1233TIP3    H143317   2.627  -4.259   2.052
 1233TIP3    H243318   2.582  -4.360   2.155
 1233TIP3   OH243319   2.709  -4.273   1.736
 1233TIP3    H143320   2.634  -4.212   1.719
 1233TIP3    H243321   2.667  -4.359   1.734
 1233TIP3   OH243322   1.492  -2.696   1.708
 1233TIP3    H143323   1.431  -2.707   1.634
 1233TIP3    H243324   1.492  -2.600   1.715
 1233TIP3   OH243325   1.644  -4.126   1.447
 1233TIP3    H143326   1.715  -4.160   1.390
 1233TIP3    H243327   1.696  -4.075   1.513
 1234TIP3   OH243328   2.170  -4.059   1.673
 1234TIP3    H143329   2.174  -4.146   1.718
 1234TIP3    H243330   2.180  -3.994   1.744
 1234TIP3   OH243331   2.362  -2.514   1.521
 1234TIP3    H143332   2.460  -2.512   1.515
 1234TIP3    H243333   2.341  -2.578   1.452
 1234TIP3   OH243334   3.014  -2.611   1.778
 1234TIP3    H143335   2.989  -2.695   1.735
 1234TIP3    H243336   3.006  -2.549   1.703
 1234TIP3   OH243337   1.552  -4.180   2.928
 1234TIP3    H143338   1.513  -4.259   2.968
 1234TIP3    H243339   1.641  -4.214   2.909
 1234TIP3   OH243340   1.849  -4.278   3.190
 1234TIP3    H143341   1.935  -4.306   3.151
 1234TIP3    H243342   1.823  -4.358   3.237
 1234TIP3   OH243343   1.636  -2.605   1.388
 1234TIP3    H143344   1.615  -2.572   1.476
 1234TIP3    H243345   1.716  -2.657   1.402
 1234TIP3   OH243346   2.961  -2.718   3.026
 1234TIP3    H143347   2.891  -2.728   2.960
 1234TIP3    H243348   2.977  -2.622   3.025
 1234TIP3   OH243349   4.213  -3.458   2.344
 1234TIP3    H143350   4.291  -3.430   2.395
 1234TIP3    H243351   4.248  -3.459   2.254
 1234TIP3   OH243352   3.514  -3.464   2.505
 1234TIP3    H143353   3.515  -3.539   2.567
 1234TIP3    H243354   3.588  -3.410   2.539
 1234TIP3   OH243355   3.582  -2.999   2.352
 1234TIP3    H143356   3.557  -3.091   2.328
 1234TIP3    H243357   3.674  -3.013   2.377
 1235TIP3   OH243358   3.279  -3.662   1.893
 1235TIP3    H143359   3.241  -3.573   1.901
 1235TIP3    H243360   3.207  -3.710   1.852
 1235TIP3   OH243361   3.361  -3.414   2.078
 1235TIP3    H143362   3.375  -3.497   2.127
 1235TIP3    H243363   3.445  -3.404   2.031
 1235TIP3   OH243364   4.120  -3.171   2.404
 1235TIP3    H143365   4.146  -3.245   2.347
 1235TIP3    H243366   4.204  -3.151   2.447
 1235TIP3   OH243367   3.742  -3.941   2.155
 1235TIP3    H143368   3.759  -3.856   2.110
 1235TIP3    H243369   3.708  -3.993   2.079
 1235TIP3   OH243370   3.411  -3.663   2.202
 1235TIP3    H143371   3.473  -3.711   2.259
 1235TIP3    H243372   3.420  -3.712   2.119
 1235TIP3   OH243373   3.951  -3.529   2.151
 1235TIP3    H143374   4.027  -3.580   2.185
 1235TIP3    H243375   3.902  -3.598   2.103
 1235TIP3   OH243376   3.620  -4.056   2.573
 1235TIP3    H143377   3.588  -4.002   2.499
 1235TIP3    H243378   3.553  -4.033   2.641
 1235TIP3   OH243379   3.915  -3.275   2.583
 1235TIP3    H143380   3.843  -3.214   2.607
 1235TIP3    H243381   3.981  -3.215   2.544
 1235TIP3   OH243382   3.584  -3.856   2.364
 1235TIP3    H143383   3.647  -3.795   2.407
 1235TIP3    H243384   3.640  -3.890   2.291
 1235TIP3   OH243385   3.715  -3.084   2.653
 1235TIP3    H143386   3.714  -2.991   2.622
 1235TIP3    H243387   3.628  -3.086   2.697
 1236TIP3   OH243388   3.348  -3.112   1.741
 1236TIP3    H143389   3.327  -3.062   1.661
 1236TIP3    H243390   3.364  -3.042   1.808
 1236TIP3   OH243391   4.046   4.379   2.291
 1236TIP3    H143392   4.045   4.283   2.306
 1236TIP3    H243393   3.960   4.410   2.325
 1236TIP3   OH243394   4.264  -3.433   1.743
 1236TIP3    H143395   4.199  -3.361   1.732
 1236TIP3    H243396   4.334  -3.403   1.685
 1236TIP3   OH243397   4.287  -3.582   1.464
 1236TIP3    H143398   4.369  -3.582   1.516
 1236TIP3    H243399   4.297  -3.660   1.408
 1236TIP3   OH243400   3.758  -3.339   2.042
 1236TIP3    H143401   3.728  -3.382   1.960
 1236TIP3    H243402   3.823  -3.403   2.075
 1236TIP3   OH243403   3.898  -2.999   2.316
 1236TIP3    H143404   3.888  -3.040   2.229
 1236TIP3    H243405   3.977  -3.045   2.351
 1236TIP3   OH243406   3.816  -3.457   2.390
 1236TIP3    H143407   3.876  -3.458   2.312
 1236TIP3    H243408   3.858  -3.391   2.448
 1236TIP3   OH243409   3.902  -3.023   2.873
 1236TIP3    H143410   3.851  -2.955   2.921
 1236TIP3    H243411   3.840  -3.048   2.803
 1236TIP3   OH243412   3.595  -3.390   2.790
 1236TIP3    H143413   3.600  -3.327   2.864
 1236TIP3    H243414   3.500  -3.395   2.774
 1236TIP3   OH243415   4.251  -2.815   1.960
 1236TIP3    H143416   4.299  -2.765   2.028
 1236TIP3    H243417   4.199  -2.745   1.918
 1237TIP3   OH243418   3.714  -2.811   2.954
 1237TIP3    H143419   3.702  -2.802   2.857
 1237TIP3    H243420   3.622  -2.825   2.984
 1237TIP3   OH243421   3.649  -3.463   1.796
 1237TIP3    H143422   3.630  -3.387   1.738
 1237TIP3    H243423   3.583  -3.527   1.766
 1237TIP3   OH243424   3.257  -3.195   2.666
 1237TIP3    H143425   3.213  -3.194   2.579
 1237TIP3    H243426   3.269  -3.291   2.682
 1237TIP3   OH243427   3.262  -2.902   2.359
 1237TIP3    H143428   3.354  -2.930   2.368
 1237TIP3    H243429   3.253  -2.842   2.434
 1237TIP3   OH243430   4.173  -2.921   2.823
 1237TIP3    H143431   4.180  -2.832   2.861
 1237TIP3    H243432   4.082  -2.948   2.845
 1237TIP3   OH243433   4.176  -2.533   1.811
 1237TIP3    H143434   4.207  -2.538   1.720
 1237TIP3    H243435   4.212  -2.450   1.844
 1237TIP3   OH243436   3.573  -2.622   1.979
 1237TIP3    H143437   3.589  -2.669   2.063
 1237TIP3    H243438   3.492  -2.665   1.948
 1237TIP3   OH243439   3.477  -3.044   2.789
 1237TIP3    H143440   3.500  -3.089   2.872
 1237TIP3    H243441   3.399  -3.093   2.758
 1237TIP3   OH243442   3.795  -4.219   2.382
 1237TIP3    H143443   3.711  -4.238   2.339
 1237TIP3    H243444   3.776  -4.135   2.425
 1237TIP3   OH243445   4.223  -4.291   2.743
 1237TIP3    H143446   4.251  -4.356   2.812
 1237TIP3    H243447   4.131  -4.279   2.768
 1238TIP3   OH243448   4.227  -3.991   1.464
 1238TIP3    H143449   4.161  -4.003   1.534
 1238TIP3    H243450   4.189  -4.050   1.396
 1238TIP3   OH243451   3.778  -3.714   2.509
 1238TIP3    H143452   3.718  -3.701   2.584
 1238TIP3    H243453   3.788  -3.624   2.473
 1238TIP3   OH243454   3.774  -3.711   1.999
 1238TIP3    H143455   3.679  -3.717   1.982
 1238TIP3    H243456   3.809  -3.726   1.909
 1238TIP3   OH243457   4.293  -3.682   1.887
 1238TIP3    H143458   4.266  -3.589   1.875
 1238TIP3    H243459   4.317  -3.707   1.798
 1238TIP3   OH243460   4.250  -3.626   3.029
 1238TIP3    H143461   4.193  -3.706   3.041
 1238TIP3    H243462   4.337  -3.670   3.032
 1238TIP3   OH243463   3.517  -3.697   2.692
 1238TIP3    H143464   3.547  -3.669   2.780
 1238TIP3    H243465   3.478  -3.784   2.712
 1238TIP3   OH243466   3.861  -3.939   1.352
 1238TIP3    H143467   3.821  -3.978   1.431
 1238TIP3    H243468   3.784  -3.924   1.294
 1238TIP3   OH243469   3.197  -3.956   2.057
 1238TIP3    H143470   3.255  -3.957   2.135
 1238TIP3    H243471   3.252  -3.993   1.987
 1238TIP3   OH243472   3.358  -3.910   1.629
 1238TIP3    H143473   3.411  -3.860   1.564
 1238TIP3    H243474   3.286  -3.847   1.646
 1238TIP3   OH243475   4.350  -3.572   2.634
 1238TIP3    H143476   4.380  -3.638   2.567
 1238TIP3    H243477   4.272  -3.617   2.669
 1239TIP3   OH243478   4.047  -3.972   2.097
 1239TIP3    H143479   3.955  -3.963   2.126
 1239TIP3    H243480   4.095  -3.957   2.180
 1239TIP3   OH243481   3.507  -3.827   1.968
 1239TIP3    H143482   3.427  -3.798   1.921
 1239TIP3    H243483   3.535  -3.908   1.920
 1239TIP3   OH243484   3.865  -3.791   1.736
 1239TIP3    H143485   3.961  -3.788   1.741
 1239TIP3    H243486   3.843  -3.731   1.662
 1239TIP3   OH243487   3.722  -3.670   1.511
 1239TIP3    H143488   3.662  -3.694   1.439
 1239TIP3    H243489   3.804  -3.653   1.461
 1239TIP3   OH243490   3.576  -3.204   3.014
 1239TIP3    H143491   3.648  -3.193   3.079
 1239TIP3    H243492   3.501  -3.176   3.068
 1239TIP3   OH243493   4.141  -3.736   2.239
 1239TIP3    H143494   4.220  -3.770   2.197
 1239TIP3    H243495   4.164  -3.743   2.333
 1239TIP3   OH243496   3.668  -4.066   1.907
 1239TIP3    H143497   3.622  -4.152   1.917
 1239TIP3    H243498   3.750  -4.092   1.864
 1239TIP3   OH243499   4.048  -3.859   2.513
 1239TIP3    H143500   3.979  -3.792   2.496
 1239TIP3    H243501   4.101  -3.816   2.582
 1239TIP3   OH243502   4.073  -3.225   1.701
 1239TIP3    H143503   3.995  -3.271   1.664
 1239TIP3    H243504   4.049  -3.214   1.796
 1239TIP3   OH243505   4.205  -3.224   2.824
 1239TIP3    H143506   4.184  -3.233   2.917
 1239TIP3    H243507   4.214  -3.128   2.812
 1240TIP3   OH243508   3.579  -3.271   2.279
 1240TIP3    H143509   3.635  -3.281   2.200
 1240TIP3    H243510   3.590  -3.357   2.322
 1240TIP3   OH243511   4.287  -3.082   1.597
 1240TIP3    H143512   4.260  -2.993   1.627
 1240TIP3    H243513   4.211  -3.135   1.629
 1240TIP3   OH243514   3.305  -3.443   2.803
 1240TIP3    H143515   3.326  -3.491   2.885
 1240TIP3    H243516   3.247  -3.504   2.754
 1240TIP3   OH243517   4.001  -3.494   3.007
 1240TIP3    H143518   3.967  -3.523   2.921
 1240TIP3    H243519   4.096  -3.518   2.999
 1240TIP3   OH243520   3.815  -2.943   2.003
 1240TIP3    H143521   3.858  -2.857   1.992
 1240TIP3    H243522   3.723  -2.922   1.982
 1240TIP3   OH243523   3.415  -3.463   1.466
 1240TIP3    H143524   3.473  -3.394   1.505
 1240TIP3    H243525   3.328  -3.435   1.498
 1240TIP3   OH243526   3.994  -3.174   1.964
 1240TIP3    H143527   3.968  -3.082   1.980
 1240TIP3    H243528   3.923  -3.223   2.008
 1240TIP3   OH243529   4.020  -2.743   2.606
 1240TIP3    H143530   4.078  -2.672   2.572
 1240TIP3    H243531   4.083  -2.796   2.655
 1240TIP3   OH243532   3.859  -2.652   1.924
 1240TIP3    H143533   3.764  -2.637   1.936
 1240TIP3    H243534   3.896  -2.565   1.949
 1240TIP3   OH243535   3.435  -3.959   2.768
 1240TIP3    H143536   3.344  -3.941   2.736
 1240TIP3    H243537   3.420  -4.046   2.810
 1241TIP3   OH243538   3.416  -2.802   2.604
 1241TIP3    H143539   3.442  -2.892   2.627
 1241TIP3    H243540   3.424  -2.759   2.691
 1241TIP3   OH243541   3.993  -2.933   1.309
 1241TIP3    H143542   4.029  -3.008   1.258
 1241TIP3    H243543   3.957  -2.978   1.387
 1241TIP3   OH243544   3.885  -2.990   1.584
 1241TIP3    H143545   3.934  -3.041   1.651
 1241TIP3    H243546   3.899  -2.898   1.614
 1241TIP3   OH243547   3.566  -3.241   1.619
 1241TIP3    H143548   3.493  -3.203   1.672
 1241TIP3    H243549   3.614  -3.161   1.591
 1241TIP3   OH243550   4.329  -3.932   2.679
 1241TIP3    H143551   4.393  -4.004   2.667
 1241TIP3    H243552   4.268  -3.960   2.609
 1241TIP3   OH243553   4.169  -2.823   1.637
 1241TIP3    H143554   4.088  -2.772   1.657
 1241TIP3    H243555   4.209  -2.770   1.568
 1241TIP3   OH243556   4.118  -3.879   1.847
 1241TIP3    H143557   4.186  -3.813   1.872
 1241TIP3    H243558   4.085  -3.900   1.937
 1241TIP3   OH243559   4.149  -3.762   2.775
 1241TIP3    H143560   4.185  -3.704   2.842
 1241TIP3    H243561   4.220  -3.828   2.762
 1241TIP3   OH243562   4.200  -4.171   1.968
 1241TIP3    H143563   4.172  -4.085   2.007
 1241TIP3    H243564   4.272  -4.145   1.908
 1241TIP3   OH243565   3.894  -2.717   1.641
 1241TIP3    H143566   3.890  -2.635   1.589
 1241TIP3    H243567   3.882  -2.683   1.732
 1242TIP3   OH243568   3.766  -4.051   1.595
 1242TIP3    H143569   3.767  -3.967   1.645
 1242TIP3    H243570   3.856  -4.083   1.614
 1242TIP3   OH243571   3.611  -2.959   1.495
 1242TIP3    H143572   3.685  -2.912   1.537
 1242TIP3    H243573   3.660  -3.011   1.429
 1242TIP3   OH243574   3.423  -3.745   1.408
 1242TIP3    H143575   3.435  -3.650   1.430
 1242TIP3    H243576   3.338  -3.744   1.363
 1242TIP3   OH243577   3.443  -4.241   2.306
 1242TIP3    H143578   3.476  -4.241   2.215
 1242TIP3    H243579   3.459  -4.335   2.328
 1242TIP3   OH243580   3.405  -2.890   1.913
 1242TIP3    H143581   3.328  -2.838   1.940
 1242TIP3    H243582   3.441  -2.836   1.841
 1242TIP3   OH243583   3.376  -2.630   3.018
 1242TIP3    H143584   3.391  -2.613   3.112
 1242TIP3    H243585   3.286  -2.665   3.016
 1242TIP3   OH243586   3.815  -2.693   3.208
 1242TIP3    H143587   3.883  -2.760   3.227
 1242TIP3    H243588   3.791  -2.718   3.117
 1242TIP3   OH243589   4.230  -2.768   1.342
 1242TIP3    H143590   4.147  -2.821   1.341
 1242TIP3    H243591   4.294  -2.840   1.327
 1242TIP3   OH243592   3.315  -3.247   3.150
 1242TIP3    H143593   3.349  -3.322   3.100
 1242TIP3    H243594   3.256  -3.204   3.085
 1242TIP3   OH243595   3.763  -3.192   1.342
 1242TIP3    H143596   3.780  -3.252   1.417
 1242TIP3    H243597   3.848  -3.196   1.295
 1243TIP3   OH243598   4.008  -3.214   3.073
 1243TIP3    H143599   3.979  -3.181   2.986
 1243TIP3    H243600   4.015  -3.310   3.058
 1243TIP3   OH243601   4.260  -3.060   1.298
 1243TIP3    H143602   4.278  -3.050   1.393
 1243TIP3    H243603   4.244  -3.155   1.291
 1243TIP3   OH243604   3.411  -3.533   3.063
 1243TIP3    H143605   3.492  -3.586   3.055
 1243TIP3    H243606   3.422  -3.499   3.153
 1243TIP3   OH243607   3.870  -3.386   1.573
 1243TIP3    H143608   3.809  -3.437   1.628
 1243TIP3    H243609   3.902  -3.455   1.512
 1243TIP3   OH243610   3.795  -3.605   2.803
 1243TIP3    H143611   3.739  -3.526   2.818
 1243TIP3    H243612   3.854  -3.574   2.733
 1243TIP3   OH243613   3.978  -3.585   1.404
 1243TIP3    H143614   3.969  -3.579   1.308
 1243TIP3    H243615   4.074  -3.573   1.415
 1243TIP3   OH243616   4.284  -3.359   3.172
 1243TIP3    H143617   4.355  -3.390   3.115
 1243TIP3    H243618   4.266  -3.439   3.224
 1243TIP3   OH243619   3.851  -3.880   2.915
 1243TIP3    H143620   3.865  -3.943   2.842
 1243TIP3    H243621   3.840  -3.797   2.866
 1243TIP3   OH243622   3.890  -4.037   2.652
 1243TIP3    H143623   3.943  -3.978   2.593
 1243TIP3    H243624   3.799  -4.023   2.619
 1243TIP3   OH243625   4.066  -3.493   2.690
 1243TIP3    H143626   4.136  -3.492   2.624
 1243TIP3    H243627   4.029  -3.404   2.678
 1244TIP3   OH243628   3.666  -3.695   3.093
 1244TIP3    H143629   3.621  -3.782   3.093
 1244TIP3    H243630   3.749  -3.717   3.049
 1244TIP3   OH243631   3.932  -4.273   2.778
 1244TIP3    H143632   3.950  -4.186   2.737
 1244TIP3    H243633   3.839  -4.281   2.753
 1244TIP3   OH243634   4.105  -3.855   3.069
 1244TIP3    H143635   4.070  -3.886   3.154
 1244TIP3    H243636   4.030  -3.876   3.011
 1244TIP3   OH243637   3.549  -3.956   3.083
 1244TIP3    H143638   3.525  -4.016   3.010
 1244TIP3    H243639   3.506  -3.998   3.159
 1244TIP3   OH243640   4.051  -4.153   3.183
 1244TIP3    H143641   4.027  -4.234   3.134
 1244TIP3    H243642   3.969  -4.102   3.183
 1244TIP3   OH243643   3.955  -2.459   1.514
 1244TIP3    H143644   4.051  -2.458   1.520
 1244TIP3    H243645   3.941  -2.417   1.429
 1244TIP3   OH243646   3.334  -3.020   1.464
 1244TIP3    H143647   3.430  -3.002   1.478
 1244TIP3    H243648   3.336  -3.099   1.407
 1244TIP3   OH243649   3.233  -2.500   1.938
 1244TIP3    H143650   3.162  -2.538   1.884
 1244TIP3    H243651   3.243  -2.569   2.007
 1244TIP3   OH243652   3.273  -2.698   2.136
 1244TIP3    H143653   3.243  -2.785   2.168
 1244TIP3    H243654   3.305  -2.662   2.220
 1244TIP3   OH243655   3.280  -3.368   2.377
 1244TIP3    H143656   3.304  -3.359   2.284
 1244TIP3    H243657   3.368  -3.386   2.417
 1245TIP3   OH243658   3.258  -3.825   3.041
 1245TIP3    H143659   3.348  -3.841   3.010
 1245TIP3    H243660   3.216  -3.911   3.024
 1245TIP3   OH243661   3.341  -3.991   2.299
 1245TIP3    H143662   3.374  -4.083   2.309
 1245TIP3    H243663   3.417  -3.940   2.333
 1245TIP3   OH243664   3.203  -3.729   2.402
 1245TIP3    H143665   3.260  -3.735   2.323
 1245TIP3    H243666   3.241  -3.652   2.446
 1245TIP3   OH243667   3.256  -4.102   1.806
 1245TIP3    H143668   3.161  -4.094   1.786
 1245TIP3    H243669   3.296  -4.034   1.748
 1245TIP3   OH243670   3.230  -4.124   2.661
 1245TIP3    H143671   3.234  -4.218   2.686
 1245TIP3    H243672   3.214  -4.131   2.566
 1245TIP3   OH243673   3.443  -2.928   3.094
 1245TIP3    H143674   3.388  -2.888   3.024
 1245TIP3    H243675   3.413  -2.881   3.172
 1245TIP3   OH243676   3.742  -2.799   2.657
 1245TIP3    H143677   3.707  -2.714   2.624
 1245TIP3    H243678   3.837  -2.786   2.639
 1245TIP3   OH243679   4.220  -2.634   2.947
 1245TIP3    H143680   4.204  -2.671   3.035
 1245TIP3    H243681   4.314  -2.613   2.953
 1245TIP3   OH243682   3.472  -2.498   2.684
 1245TIP3    H143683   3.402  -2.440   2.649
 1245TIP3    H243684   3.448  -2.499   2.777
 1245TIP3   OH243685   3.727  -2.521   2.549
 1245TIP3    H143686   3.641  -2.507   2.593
 1245TIP3    H243687   3.726  -2.454   2.480
 1246TIP3   OH243688   4.196  -2.548   2.503
 1246TIP3    H143689   4.178  -2.499   2.421
 1246TIP3    H243690   4.258  -2.490   2.549
 1246TIP3   OH243691   3.437  -2.621   2.383
 1246TIP3    H143692   3.432  -2.668   2.470
 1246TIP3    H243693   3.511  -2.668   2.342
 1246TIP3   OH243694   3.638  -2.748   2.227
 1246TIP3    H143695   3.621  -2.841   2.255
 1246TIP3    H243696   3.728  -2.734   2.261
 1246TIP3   OH243697   3.912  -2.699   2.318
 1246TIP3    H143698   3.934  -2.791   2.295
 1246TIP3    H243699   3.921  -2.702   2.414
 1246TIP3   OH243700   4.255  -4.141   2.255
 1246TIP3    H143701   4.179  -4.199   2.270
 1246TIP3    H243702   4.291  -4.176   2.173
 1246TIP3   OH243703   3.478  -4.283   1.980
 1246TIP3    H143704   3.387  -4.306   1.957
 1246TIP3    H243705   3.512  -4.366   2.016
 1246TIP3   OH243706   3.338  -4.291   1.603
 1246TIP3    H143707   3.382  -4.243   1.531
 1246TIP3    H243708   3.299  -4.217   1.653
 1246TIP3   OH243709   3.937  -4.252   1.981
 1246TIP3    H143710   4.030  -4.224   1.991
 1246TIP3    H243711   3.919  -4.288   2.069
 1246TIP3   OH243712   3.381  -2.696   1.707
 1246TIP3    H143713   3.316  -2.709   1.637
 1246TIP3    H243714   3.377  -2.600   1.716
 1246TIP3   OH243715   3.528  -4.128   1.447
 1246TIP3    H143716   3.598  -4.161   1.388
 1246TIP3    H243717   3.581  -4.074   1.509
 1247TIP3   OH243718   4.050  -4.071   1.670
 1247TIP3    H143719   4.065  -4.153   1.720
 1247TIP3    H243720   4.062  -4.002   1.739
 1247TIP3   OH243721   4.262  -2.530   1.515
 1247TIP3    H143722   4.351  -2.495   1.499
 1247TIP3    H243723   4.250  -2.592   1.441
 1247TIP3   OH243724   3.439  -4.180   2.925
 1247TIP3    H143725   3.397  -4.261   2.957
 1247TIP3    H243726   3.529  -4.214   2.911
 1247TIP3   OH243727   3.731  -4.278   3.191
 1247TIP3    H143728   3.818  -4.305   3.154
 1247TIP3    H243729   3.706  -4.358   3.239
 1247TIP3   OH243730   3.526  -2.597   1.388
 1247TIP3    H143731   3.499  -2.577   1.478
 1247TIP3    H243732   3.599  -2.660   1.402
 1247TIP3   OH243733  -3.159  -1.480   2.030
 1247TIP3    H143734  -3.164  -1.383   2.035
 1247TIP3    H243735  -3.235  -1.500   1.973
 1247TIP3   OH243736  -3.273  -1.537   2.338
 1247TIP3    H143737  -3.276  -1.595   2.415
 1247TIP3    H243738  -3.300  -1.598   2.267
 1247TIP3   OH243739  -4.027  -1.577   2.501
 1247TIP3    H143740  -4.031  -1.650   2.565
 1247TIP3    H243741  -3.957  -1.522   2.540
 1247TIP3   OH243742  -2.904  -1.253   2.171
 1247TIP3    H143743  -2.940  -1.331   2.215
 1247TIP3    H243744  -2.879  -1.198   2.246
 1247TIP3   OH243745  -3.952  -1.115   2.359
 1247TIP3    H143746  -3.977  -1.208   2.343
 1247TIP3    H243747  -3.862  -1.124   2.393
 1248TIP3   OH243748  -4.215  -1.740   1.767
 1248TIP3    H143749  -4.239  -1.664   1.821
 1248TIP3    H243750  -4.296  -1.793   1.773
 1248TIP3   OH243751  -4.206  -1.547   2.052
 1248TIP3    H143752  -4.185  -1.600   2.130
 1248TIP3    H243753  -4.126  -1.495   2.040
 1248TIP3   OH243754  -3.171  -0.747   2.211
 1248TIP3    H143755  -3.126  -0.832   2.214
 1248TIP3    H243756  -3.218  -0.747   2.296
 1248TIP3   OH243757  -3.433  -1.293   2.397
 1248TIP3    H143758  -3.398  -1.364   2.341
 1248TIP3    H243759  -3.355  -1.276   2.453
 1248TIP3   OH243760  -2.561  -2.133   2.457
 1248TIP3    H143761  -2.533  -2.073   2.528
 1248TIP3    H243762  -2.499  -2.108   2.386
 1248TIP3   OH243763  -3.098  -1.851   2.445
 1248TIP3    H143764  -3.083  -1.947   2.451
 1248TIP3    H243765  -3.105  -1.839   2.349
 1248TIP3   OH243766  -3.800  -2.052   2.152
 1248TIP3    H143767  -3.784  -1.967   2.106
 1248TIP3    H243768  -3.834  -2.105   2.078
 1248TIP3   OH243769  -3.014  -2.033   1.985
 1248TIP3    H143770  -2.955  -2.076   2.051
 1248TIP3    H243771  -2.948  -1.991   1.928
 1248TIP3   OH243772  -4.140  -1.782   2.207
 1248TIP3    H143773  -4.077  -1.819   2.271
 1248TIP3    H243774  -4.117  -1.833   2.127
 1248TIP3   OH243775  -3.594  -1.640   2.152
 1248TIP3    H143776  -3.523  -1.694   2.191
 1248TIP3    H243777  -3.644  -1.706   2.102
 1249TIP3   OH243778  -2.487  -1.997   2.706
 1249TIP3    H143779  -2.546  -1.925   2.677
 1249TIP3    H243780  -2.507  -2.000   2.800
 1249TIP3   OH243781  -3.918  -2.169   2.569
 1249TIP3    H143782  -3.964  -2.126   2.496
 1249TIP3    H243783  -3.981  -2.153   2.642
 1249TIP3   OH243784  -3.177  -1.201   1.910
 1249TIP3    H143785  -3.198  -1.225   1.819
 1249TIP3    H243786  -3.220  -1.115   1.921
 1249TIP3   OH243787  -3.662  -1.353   2.588
 1249TIP3    H143788  -3.726  -1.289   2.623
 1249TIP3    H243789  -3.594  -1.294   2.554
 1249TIP3   OH243790  -2.832  -2.110   2.187
 1249TIP3    H143791  -2.869  -2.171   2.252
 1249TIP3    H243792  -2.778  -2.052   2.243
 1249TIP3   OH243793  -3.958  -1.963   2.360
 1249TIP3    H143794  -3.893  -1.908   2.408
 1249TIP3    H243795  -3.900  -2.001   2.290
 1249TIP3   OH243796  -4.184  -1.237   1.746
 1249TIP3    H143797  -4.263  -1.215   1.692
 1249TIP3    H243798  -4.189  -1.171   1.818
 1249TIP3   OH243799  -2.848  -1.013   2.346
 1249TIP3    H143800  -2.933  -1.037   2.391
 1249TIP3    H243801  -2.805  -0.962   2.416
 1249TIP3   OH243802  -2.818  -2.194   2.572
 1249TIP3    H143803  -2.895  -2.157   2.525
 1249TIP3    H243804  -2.746  -2.176   2.510
 1249TIP3   OH243805  -3.505  -2.424   2.277
 1249TIP3    H143806  -3.528  -2.518   2.271
 1249TIP3    H243807  -3.588  -2.386   2.314
 1250TIP3   OH243808  -2.882  -1.062   1.967
 1250TIP3    H143809  -2.907  -1.097   1.879
 1250TIP3    H243810  -2.897  -1.143   2.020
 1250TIP3   OH243811  -2.725  -1.215   2.786
 1250TIP3    H143812  -2.731  -1.284   2.716
 1250TIP3    H243813  -2.698  -1.136   2.737
 1250TIP3   OH243814  -3.295  -1.527   1.756
 1250TIP3    H143815  -3.361  -1.470   1.714
 1250TIP3    H243816  -3.223  -1.525   1.690
 1250TIP3   OH243817  -3.267  -1.712   1.465
 1250TIP3    H143818  -3.195  -1.678   1.521
 1250TIP3    H243819  -3.217  -1.767   1.404
 1250TIP3   OH243820  -2.546  -1.603   2.581
 1250TIP3    H143821  -2.617  -1.536   2.590
 1250TIP3    H243822  -2.498  -1.569   2.503
 1250TIP3   OH243823  -2.944  -1.528   1.862
 1250TIP3    H143824  -3.013  -1.509   1.929
 1250TIP3    H243825  -2.884  -1.586   1.912
 1250TIP3   OH243826  -2.961  -1.674   2.746
 1250TIP3    H143827  -2.956  -1.593   2.798
 1250TIP3    H243828  -3.028  -1.647   2.682
 1250TIP3   OH243829  -3.780  -1.450   2.039
 1250TIP3    H143830  -3.815  -1.495   1.959
 1250TIP3    H243831  -3.718  -1.516   2.075
 1250TIP3   OH243832  -3.645  -1.110   2.308
 1250TIP3    H143833  -3.655  -1.157   2.224
 1250TIP3    H243834  -3.571  -1.159   2.350
 1250TIP3   OH243835  -3.724  -1.561   2.397
 1250TIP3    H143836  -3.664  -1.557   2.320
 1250TIP3    H243837  -3.689  -1.490   2.455
 1251TIP3   OH243838  -3.110  -1.023   2.448
 1251TIP3    H143839  -3.133  -0.954   2.514
 1251TIP3    H243840  -3.150  -1.102   2.488
 1251TIP3   OH243841  -3.049  -1.577   1.603
 1251TIP3    H143842  -2.999  -1.556   1.685
 1251TIP3    H243843  -2.994  -1.533   1.534
 1251TIP3   OH243844  -3.956  -1.516   2.794
 1251TIP3    H143845  -3.943  -1.445   2.860
 1251TIP3    H243846  -4.051  -1.506   2.778
 1251TIP3   OH243847  -3.274  -0.909   1.964
 1251TIP3    H143848  -3.273  -0.881   2.056
 1251TIP3    H243849  -3.348  -0.856   1.929
 1251TIP3   OH243850  -2.705  -2.411   1.559
 1251TIP3    H143851  -2.791  -2.399   1.602
 1251TIP3    H243852  -2.668  -2.321   1.561
 1251TIP3   OH243853  -3.894  -1.578   1.796
 1251TIP3    H143854  -3.914  -1.502   1.739
 1251TIP3    H243855  -3.961  -1.643   1.767
 1251TIP3   OH243856  -4.273  -1.291   2.651
 1251TIP3    H143857  -4.291  -1.325   2.562
 1251TIP3    H243858  -4.296  -1.367   2.707
 1251TIP3   OH243859  -4.281  -1.015   2.344
 1251TIP3    H143860  -4.198  -1.059   2.367
 1251TIP3    H243861  -4.300  -0.968   2.426
 1251TIP3   OH243862  -2.444  -0.956   2.936
 1251TIP3    H143863  -2.453  -1.052   2.922
 1251TIP3    H243864  -2.534  -0.933   2.967
 1251TIP3   OH243865  -3.391  -1.047   2.821
 1251TIP3    H143866  -3.383  -0.953   2.845
 1251TIP3    H243867  -3.488  -1.044   2.801
 1252TIP3   OH243868  -3.364  -0.641   1.819
 1252TIP3    H143869  -3.347  -0.650   1.725
 1252TIP3    H243870  -3.334  -0.552   1.841
 1252TIP3   OH243871  -3.976  -0.740   1.980
 1252TIP3    H143872  -3.951  -0.783   2.064
 1252TIP3    H243873  -4.055  -0.792   1.958
 1252TIP3   OH243874  -3.007  -0.741   1.506
 1252TIP3    H143875  -2.969  -0.818   1.461
 1252TIP3    H243876  -3.002  -0.770   1.599
 1252TIP3   OH243877  -3.071  -0.758   1.812
 1252TIP3    H143878  -3.167  -0.759   1.826
 1252TIP3    H243879  -3.049  -0.841   1.854
 1252TIP3   OH243880  -2.765  -1.820   2.978
 1252TIP3    H143881  -2.815  -1.782   2.905
 1252TIP3    H243882  -2.759  -1.914   2.950
 1252TIP3   OH243883  -4.034  -1.172   2.748
 1252TIP3    H143884  -4.005  -1.191   2.839
 1252TIP3    H243885  -4.122  -1.211   2.740
 1252TIP3   OH243886  -3.748  -2.309   2.368
 1252TIP3    H143887  -3.830  -2.317   2.317
 1252TIP3    H243888  -3.772  -2.235   2.427
 1252TIP3   OH243889  -3.311  -2.349   2.736
 1252TIP3    H143890  -3.258  -2.405   2.796
 1252TIP3    H243891  -3.401  -2.385   2.744
 1252TIP3   OH243892  -2.994  -1.971   2.784
 1252TIP3    H143893  -3.055  -1.987   2.858
 1252TIP3    H243894  -3.002  -1.875   2.769
 1252TIP3   OH243895  -2.880  -1.479   1.398
 1252TIP3    H143896  -2.897  -1.498   1.304
 1252TIP3    H243897  -2.788  -1.451   1.396
 1253TIP3   OH243898  -3.333  -2.097   1.459
 1253TIP3    H143899  -3.379  -2.115   1.542
 1253TIP3    H243900  -3.370  -2.167   1.402
 1253TIP3   OH243901  -3.763  -1.827   2.508
 1253TIP3    H143902  -3.821  -1.817   2.585
 1253TIP3    H243903  -3.754  -1.735   2.476
 1253TIP3   OH243904  -3.769  -1.824   1.997
 1253TIP3    H143905  -3.864  -1.828   1.977
 1253TIP3    H243906  -3.732  -1.840   1.908
 1253TIP3   OH243907  -3.207  -1.765   1.876
 1253TIP3    H143908  -3.248  -1.683   1.839
 1253TIP3    H243909  -3.138  -1.782   1.810
 1253TIP3   OH243910  -3.288  -1.746   3.011
 1253TIP3    H143911  -3.338  -1.823   3.047
 1253TIP3    H243912  -3.200  -1.759   3.050
 1253TIP3   OH243913  -3.122  -1.826   2.152
 1253TIP3    H143914  -3.151  -1.770   2.078
 1253TIP3    H243915  -3.098  -1.907   2.103
 1253TIP3   OH243916  -4.023  -1.816   2.690
 1253TIP3    H143917  -4.002  -1.771   2.773
 1253TIP3    H243918  -4.050  -1.903   2.721
 1253TIP3   OH243919  -3.688  -2.047   1.355
 1253TIP3    H143920  -3.726  -2.092   1.433
 1253TIP3    H243921  -3.764  -2.041   1.296
 1253TIP3   OH243922  -4.322  -2.054   2.052
 1253TIP3    H143923  -4.311  -2.073   2.146
 1253TIP3    H243924  -4.274  -2.126   2.011
 1253TIP3   OH243925  -4.210  -2.013   1.639
 1253TIP3    H143926  -4.147  -1.984   1.570
 1253TIP3    H243927  -4.289  -1.968   1.611
 1254TIP3   OH243928  -3.213  -1.657   2.601
 1254TIP3    H143929  -3.170  -1.729   2.550
 1254TIP3    H243930  -3.253  -1.707   2.674
 1254TIP3   OH243931  -3.490  -2.062   2.101
 1254TIP3    H143932  -3.585  -2.069   2.124
 1254TIP3    H243933  -3.448  -2.083   2.186
 1254TIP3   OH243934  -4.042  -1.937   1.962
 1254TIP3    H143935  -4.115  -1.924   1.900
 1254TIP3    H243936  -4.001  -2.019   1.930
 1254TIP3   OH243937  -3.672  -1.905   1.737
 1254TIP3    H143938  -3.575  -1.901   1.742
 1254TIP3    H243939  -3.694  -1.846   1.663
 1254TIP3   OH243940  -3.052  -2.149   2.403
 1254TIP3    H143941  -3.117  -2.148   2.476
 1254TIP3    H243942  -3.107  -2.183   2.331
 1254TIP3   OH243943  -3.826  -1.778   1.513
 1254TIP3    H143944  -3.883  -1.814   1.443
 1254TIP3    H243945  -3.744  -1.761   1.463
 1254TIP3   OH243946  -2.751  -0.572   3.068
 1254TIP3    H143947  -2.728  -0.526   2.985
 1254TIP3    H243948  -2.681  -0.540   3.127
 1254TIP3   OH243949  -3.953  -1.322   3.014
 1254TIP3    H143950  -3.892  -1.303   3.088
 1254TIP3    H243951  -4.038  -1.298   3.056
 1254TIP3   OH243952  -3.389  -1.808   2.283
 1254TIP3    H143953  -3.316  -1.851   2.236
 1254TIP3    H243954  -3.405  -1.871   2.357
 1254TIP3   OH243955  -3.874  -2.171   1.908
 1254TIP3    H143956  -3.915  -2.258   1.911
 1254TIP3    H243957  -3.792  -2.191   1.859
 1255TIP3   OH243958  -3.493  -1.964   2.506
 1255TIP3    H143959  -3.569  -1.904   2.507
 1255TIP3    H243960  -3.443  -1.936   2.586
 1255TIP3   OH243961  -3.481  -1.319   1.696
 1255TIP3    H143962  -3.555  -1.373   1.661
 1255TIP3    H243963  -3.497  -1.320   1.793
 1255TIP3   OH243964  -2.756  -1.403   2.571
 1255TIP3    H143965  -2.705  -1.357   2.501
 1255TIP3    H243966  -2.840  -1.423   2.526
 1255TIP3   OH243967  -3.063  -2.046   1.481
 1255TIP3    H143968  -3.161  -2.042   1.470
 1255TIP3    H243969  -3.043  -1.966   1.533
 1255TIP3   OH243970  -3.310  -1.316   2.826
 1255TIP3    H143971  -3.343  -1.349   2.911
 1255TIP3    H243972  -3.345  -1.225   2.826
 1255TIP3   OH243973  -2.994  -1.853   1.683
 1255TIP3    H143974  -2.905  -1.874   1.718
 1255TIP3    H243975  -2.978  -1.772   1.632
 1255TIP3   OH243976  -3.983  -1.400   2.263
 1255TIP3    H143977  -3.910  -1.400   2.199
 1255TIP3    H243978  -3.960  -1.475   2.320
 1255TIP3   OH243979  -3.236  -1.188   1.592
 1255TIP3    H143980  -3.263  -1.103   1.629
 1255TIP3    H243981  -3.311  -1.245   1.615
 1255TIP3   OH243982  -4.244  -1.540   2.830
 1255TIP3    H143983  -4.232  -1.603   2.904
 1255TIP3    H243984  -4.290  -1.595   2.763
 1255TIP3   OH243985  -3.540  -1.604   3.005
 1255TIP3    H143986  -3.581  -1.631   2.921
 1255TIP3    H243987  -3.448  -1.631   2.992
 1256TIP3   OH243988  -3.092  -1.056   2.775
 1256TIP3    H143989  -3.190  -1.057   2.770
 1256TIP3    H243990  -3.078  -1.038   2.869
 1256TIP3   OH243991  -2.539  -1.851   1.653
 1256TIP3    H143992  -2.588  -1.877   1.573
 1256TIP3    H243993  -2.524  -1.757   1.630
 1256TIP3   OH243994  -2.490  -1.254   2.934
 1256TIP3    H143995  -2.584  -1.233   2.915
 1256TIP3    H243996  -2.457  -1.273   2.844
 1256TIP3   OH243997  -2.695  -1.002   1.666
 1256TIP3    H143998  -2.723  -1.088   1.699
 1256TIP3    H243999  -2.661  -1.024   1.579
 1256TIP3   OH244000  -2.987  -1.463   2.399
 1256TIP3    H144001  -3.080  -1.478   2.377
 1256TIP3    H244002  -2.945  -1.538   2.351
 1256TIP3   OH244003  -3.726  -1.059   1.993
 1256TIP3    H144004  -3.688  -0.970   1.997
 1256TIP3    H244005  -3.820  -1.039   1.985
 1256TIP3   OH244006  -4.156  -1.559   1.475
 1256TIP3    H144007  -4.081  -1.508   1.512
 1256TIP3    H244008  -4.228  -1.498   1.492
 1256TIP3   OH244009  -3.542  -1.285   1.971
 1256TIP3    H144010  -3.580  -1.196   1.980
 1256TIP3    H244011  -3.613  -1.339   2.009
 1256TIP3   OH244012  -3.680  -0.765   1.923
 1256TIP3    H144013  -3.776  -0.756   1.936
 1256TIP3    H244014  -3.648  -0.677   1.951
 1256TIP3   OH244015  -3.184  -1.285   2.558
 1256TIP3    H144016  -3.217  -1.308   2.647
 1256TIP3    H244017  -3.114  -1.350   2.545
 1257TIP3   OH244018  -2.976  -1.130   1.454
 1257TIP3    H144019  -2.923  -1.179   1.518
 1257TIP3    H244020  -3.064  -1.162   1.477
 1257TIP3   OH244021  -2.889  -0.833   2.795
 1257TIP3    H144022  -2.970  -0.876   2.760
 1257TIP3    H244023  -2.882  -0.753   2.740
 1257TIP3   OH244024  -4.100  -2.084   2.771
 1257TIP3    H144025  -4.185  -2.049   2.741
 1257TIP3    H244026  -4.122  -2.171   2.810
 1257TIP3   OH244027  -2.866  -1.272   1.704
 1257TIP3    H144028  -2.904  -1.349   1.749
 1257TIP3    H244029  -2.772  -1.296   1.703
 1257TIP3   OH244030  -4.127  -0.922   2.625
 1257TIP3    H144031  -4.090  -1.012   2.628
 1257TIP3    H244032  -4.075  -0.883   2.696
 1257TIP3   OH244033  -3.545  -1.049   1.311
 1257TIP3    H144034  -3.516  -1.123   1.255
 1257TIP3    H244035  -3.588  -1.096   1.384
 1257TIP3   OH244036  -3.664  -1.100   1.582
 1257TIP3    H144037  -3.613  -1.155   1.643
 1257TIP3    H244038  -3.648  -1.010   1.615
 1257TIP3   OH244039  -3.988  -1.359   1.613
 1257TIP3    H144040  -4.056  -1.317   1.671
 1257TIP3    H244041  -3.936  -1.280   1.590
 1257TIP3   OH244042  -3.211  -2.107   2.622
 1257TIP3    H144043  -3.148  -2.081   2.691
 1257TIP3    H244044  -3.260  -2.181   2.664
 1257TIP3   OH244045  -3.150  -2.162   1.747
 1257TIP3    H144046  -3.127  -2.114   1.666
 1257TIP3    H244047  -3.100  -2.113   1.814
 1258TIP3   OH244048  -3.359  -0.918   1.648
 1258TIP3    H144049  -3.452  -0.889   1.652
 1258TIP3    H244050  -3.336  -0.899   1.556
 1258TIP3   OH244051  -3.407  -1.965   1.842
 1258TIP3    H144052  -3.330  -1.906   1.854
 1258TIP3    H244053  -3.433  -1.981   1.934
 1258TIP3   OH244054  -3.367  -1.866   2.757
 1258TIP3    H144055  -3.359  -1.818   2.842
 1258TIP3    H244056  -3.317  -1.947   2.776
 1258TIP3   OH244057  -3.346  -2.263   1.936
 1258TIP3    H144058  -3.365  -2.193   2.001
 1258TIP3    H244059  -3.273  -2.222   1.885
 1258TIP3   OH244060  -3.639  -0.829   1.643
 1258TIP3    H144061  -3.657  -0.751   1.589
 1258TIP3    H244062  -3.657  -0.796   1.734
 1258TIP3   OH244063  -3.775  -2.163   1.595
 1258TIP3    H144064  -3.764  -2.082   1.648
 1258TIP3    H244065  -3.693  -2.211   1.619
 1258TIP3   OH244066  -2.741  -2.072   2.847
 1258TIP3    H144067  -2.837  -2.059   2.830
 1258TIP3    H244068  -2.714  -2.096   2.757
 1258TIP3   OH244069  -2.890  -1.687   2.251
 1258TIP3    H144070  -2.971  -1.733   2.221
 1258TIP3    H244071  -2.841  -1.760   2.295
 1258TIP3   OH244072  -3.933  -1.073   1.495
 1258TIP3    H144073  -3.856  -1.031   1.538
 1258TIP3    H244074  -3.887  -1.128   1.430
 1258TIP3   OH244075  -4.115  -1.860   1.417
 1258TIP3    H144076  -4.107  -1.765   1.433
 1258TIP3    H244077  -4.193  -1.868   1.361
 1259TIP3   OH244078  -4.026  -2.361   2.283
 1259TIP3    H144079  -4.058  -2.364   2.191
 1259TIP3    H244080  -4.068  -2.442   2.321
 1259TIP3   OH244081  -4.137  -0.998   1.910
 1259TIP3    H144082  -4.226  -0.960   1.918
 1259TIP3    H244083  -4.104  -0.955   1.830
 1259TIP3   OH244084  -4.215  -0.720   3.034
 1259TIP3    H144085  -4.150  -0.720   3.108
 1259TIP3    H244086  -4.214  -0.815   3.016
 1259TIP3   OH244087  -3.737  -0.814   3.185
 1259TIP3    H144088  -3.667  -0.874   3.213
 1259TIP3    H244089  -3.749  -0.842   3.093
 1259TIP3   OH244090  -3.322  -0.884   1.370
 1259TIP3    H144091  -3.395  -0.945   1.345
 1259TIP3    H244092  -3.247  -0.928   1.326
 1259TIP3   OH244093  -3.077  -0.981   3.062
 1259TIP3    H144094  -3.121  -1.059   3.100
 1259TIP3    H244095  -3.011  -0.959   3.131
 1259TIP3   OH244096  -4.202  -1.311   3.099
 1259TIP3    H144097  -4.188  -1.399   3.061
 1259TIP3    H244098  -4.289  -1.287   3.065
 1259TIP3   OH244099  -3.781  -1.307   1.342
 1259TIP3    H144100  -3.760  -1.367   1.416
 1259TIP3    H244101  -3.697  -1.309   1.293
 1259TIP3   OH244102  -3.546  -1.322   3.057
 1259TIP3    H144103  -3.583  -1.299   2.971
 1259TIP3    H244104  -3.535  -1.419   3.050
 1259TIP3   OH244105  -3.260  -1.174   1.304
 1259TIP3    H144106  -3.258  -1.182   1.401
 1259TIP3    H244107  -3.261  -1.269   1.279
 1260TIP3   OH244108  -3.001  -1.369   2.812
 1260TIP3    H144109  -2.925  -1.311   2.798
 1260TIP3    H244110  -3.075  -1.306   2.813
 1260TIP3   OH244111  -4.140  -1.649   3.073
 1260TIP3    H144112  -4.056  -1.698   3.061
 1260TIP3    H244113  -4.126  -1.611   3.161
 1260TIP3   OH244114  -3.673  -1.498   1.576
 1260TIP3    H144115  -3.731  -1.552   1.631
 1260TIP3    H244116  -3.641  -1.564   1.511
 1260TIP3   OH244117  -3.746  -1.721   2.805
 1260TIP3    H144118  -3.807  -1.646   2.818
 1260TIP3    H244119  -3.684  -1.684   2.739
 1260TIP3   OH244120  -3.576  -1.696   1.402
 1260TIP3    H144121  -3.578  -1.689   1.304
 1260TIP3    H244122  -3.480  -1.702   1.418
 1260TIP3   OH244123  -3.222  -1.453   3.156
 1260TIP3    H144124  -3.132  -1.469   3.126
 1260TIP3    H244125  -3.245  -1.538   3.195
 1260TIP3   OH244126  -3.691  -1.992   2.915
 1260TIP3    H144127  -3.684  -2.058   2.843
 1260TIP3    H244128  -3.711  -1.911   2.865
 1260TIP3   OH244129  -3.657  -2.146   2.661
 1260TIP3    H144130  -3.605  -2.094   2.596
 1260TIP3    H244131  -3.748  -2.143   2.624
 1260TIP3   OH244132  -3.512  -1.589   2.684
 1260TIP3    H144133  -3.424  -1.594   2.643
 1260TIP3    H244134  -3.540  -1.498   2.663
 1260TIP3   OH244135  -3.045  -1.809   3.181
 1260TIP3    H144136  -3.020  -1.903   3.188
 1260TIP3    H244137  -2.957  -1.768   3.172
 1261TIP3   OH244138  -2.948  -1.530   3.027
 1261TIP3    H144139  -2.982  -1.469   2.959
 1261TIP3    H244140  -2.858  -1.546   2.991
 1261TIP3   OH244141  -3.876  -1.806   3.096
 1261TIP3    H144142  -3.930  -1.887   3.093
 1261TIP3    H244143  -3.797  -1.831   3.046
 1261TIP3   OH244144  -3.586  -2.414   2.697
 1261TIP3    H144145  -3.603  -2.319   2.678
 1261TIP3    H244146  -3.655  -2.456   2.641
 1261TIP3   OH244147  -3.459  -1.965   3.073
 1261TIP3    H144148  -3.500  -1.978   3.161
 1261TIP3    H244149  -3.539  -1.980   3.017
 1261TIP3   OH244150  -3.204  -2.051   2.960
 1261TIP3    H144151  -3.292  -2.046   3.002
 1261TIP3    H244152  -3.157  -2.113   3.019
 1261TIP3   OH244153  -3.026  -2.200   3.132
 1261TIP3    H144154  -3.031  -2.296   3.146
 1261TIP3    H244155  -3.037  -2.163   3.221
 1261TIP3   OH244156  -4.014  -2.059   3.077
 1261TIP3    H144157  -4.017  -2.131   3.013
 1261TIP3    H244158  -4.033  -2.105   3.161
 1261TIP3   OH244159  -3.593  -2.467   2.980
 1261TIP3    H144160  -3.533  -2.543   2.976
 1261TIP3    H244161  -3.603  -2.447   2.885
 1261TIP3   OH244162  -3.514  -2.315   3.208
 1261TIP3    H144163  -3.533  -2.355   3.121
 1261TIP3    H244164  -3.570  -2.235   3.204
 1261TIP3   OH244165  -3.596  -0.557   1.518
 1261TIP3    H144166  -3.503  -0.577   1.507
 1261TIP3    H244167  -3.621  -0.532   1.428
 1262TIP3   OH244168  -4.201  -1.087   1.420
 1262TIP3    H144169  -4.121  -1.089   1.476
 1262TIP3    H244170  -4.213  -1.179   1.396
 1262TIP3   OH244171  -4.274  -0.807   2.132
 1262TIP3    H144172  -4.276  -0.896   2.173
 1262TIP3    H244173  -4.241  -0.756   2.208
 1262TIP3   OH244174  -2.535  -0.694   2.428
 1262TIP3    H144175  -2.518  -0.700   2.523
 1262TIP3    H244176  -2.448  -0.670   2.394
 1262TIP3   OH244177  -2.525  -0.740   2.726
 1262TIP3    H144178  -2.577  -0.813   2.688
 1262TIP3    H244179  -2.470  -0.789   2.789
 1262TIP3   OH244180  -2.726  -1.199   3.153
 1262TIP3    H144181  -2.814  -1.192   3.193
 1262TIP3    H244182  -2.681  -1.119   3.186
 1262TIP3   OH244183  -2.592  -1.317   1.726
 1262TIP3    H144184  -2.503  -1.278   1.737
 1262TIP3    H244185  -2.591  -1.383   1.798
 1262TIP3   OH244186  -2.543  -1.509   1.928
 1262TIP3    H144187  -2.606  -1.572   1.969
 1262TIP3    H244188  -2.471  -1.504   1.994
 1262TIP3   OH244189  -2.577  -1.255   2.416
 1262TIP3    H144190  -2.515  -1.312   2.368
 1262TIP3    H244191  -2.542  -1.166   2.394
 1262TIP3   OH244192  -2.698  -0.961   2.637
 1262TIP3    H144193  -2.766  -0.926   2.698
 1262TIP3    H244194  -2.746  -1.027   2.586
 1262TIP3   OH244195  -2.528  -1.553   1.556
 1262TIP3    H144196  -2.564  -1.519   1.474
 1262TIP3    H244197  -2.539  -1.478   1.616
 1263TIP3   OH244198  -2.690  -1.807   1.399
 1263TIP3    H144199  -2.658  -1.755   1.324
 1263TIP3    H244200  -2.708  -1.894   1.357
 1263TIP3   OH244201  -2.749  -1.699   2.006
 1263TIP3    H144202  -2.752  -1.795   1.989
 1263TIP3    H244203  -2.786  -1.693   2.096
 1263TIP3   OH244204  -4.257  -1.451   2.405
 1263TIP3    H144205  -4.219  -1.425   2.319
 1263TIP3    H244206  -4.178  -1.489   2.448
 1263TIP3   OH244207  -2.686  -1.506   2.920
 1263TIP3    H144208  -2.614  -1.570   2.937
 1263TIP3    H244209  -2.636  -1.424   2.905
 1263TIP3   OH244210  -2.532  -1.697   3.043
 1263TIP3    H144211  -2.610  -1.752   3.020
 1263TIP3    H244212  -2.460  -1.763   3.040
 1263TIP3   OH244213  -2.742  -2.077   1.336
 1263TIP3    H144214  -2.680  -2.130   1.388
 1263TIP3    H244215  -2.818  -2.135   1.322
 1263TIP3   OH244216  -2.758  -1.950   1.825
 1263TIP3    H144217  -2.733  -2.045   1.828
 1263TIP3    H244218  -2.679  -1.912   1.781
 1263TIP3   OH244219  -2.737  -1.887   2.368
 1263TIP3    H144220  -2.639  -1.879   2.364
 1263TIP3    H244221  -2.750  -1.888   2.464
 1263TIP3   OH244222  -2.720  -1.820   2.651
 1263TIP3    H144223  -2.806  -1.781   2.676
 1263TIP3    H244224  -2.667  -1.741   2.629
 1263TIP3   OH244225  -4.286  -1.959   3.007
 1263TIP3    H144226  -4.196  -1.995   3.014
 1263TIP3    H244227  -4.343  -2.032   3.035
 1264TIP3   OH244228  -2.468  -2.403   3.177
 1264TIP3    H144229  -2.422  -2.473   3.126
 1264TIP3    H244230  -2.460  -2.326   3.118
 1264TIP3   OH244231  -2.713  -2.228   1.823
 1264TIP3    H144232  -2.701  -2.262   1.913
 1264TIP3    H244233  -2.792  -2.279   1.794
 1264TIP3   OH244234  -4.195  -2.096   2.328
 1264TIP3    H144235  -4.164  -2.188   2.326
 1264TIP3    H244236  -4.112  -2.047   2.343
 1264TIP3   OH244237  -4.352  -1.835   2.396
 1264TIP3    H144238  -4.298  -1.896   2.342
 1264TIP3    H244239  -4.306  -1.751   2.382
 1264TIP3   OH244240  -2.526  -2.197   3.002
 1264TIP3    H144241  -2.615  -2.157   3.007
 1264TIP3    H244242  -2.538  -2.254   2.924
 1264TIP3   OH244243  -2.515  -2.184   1.493
 1264TIP3    H144244  -2.484  -2.260   1.441
 1264TIP3    H244245  -2.437  -2.126   1.490
 1264TIP3   OH244246  -4.313  -2.229   1.763
 1264TIP3    H144247  -4.398  -2.199   1.727
 1264TIP3    H244248  -4.254  -2.158   1.729
 1264TIP3   OH244249  -4.292  -2.333   2.598
 1264TIP3    H144250  -4.359  -2.340   2.670
 1264TIP3    H244251  -4.335  -2.280   2.530
 1264TIP3   OH244252  -4.104  -0.983   3.059
 1264TIP3    H144253  -4.161  -1.034   3.002
 1264TIP3    H244254  -4.121  -1.023   3.147
 1264TIP3   OH244255  -3.352  -0.769   2.962
 1264TIP3    H144256  -3.340  -0.803   3.052
 1264TIP3    H244257  -3.264  -0.738   2.937
 1265TIP3   OH244258  -3.114  -0.632   2.877
 1265TIP3    H144259  -3.052  -0.705   2.864
 1265TIP3    H244260  -3.092  -0.603   2.967
 1265TIP3   OH244261  -2.641  -2.377   2.803
 1265TIP3    H144262  -2.720  -2.358   2.750
 1265TIP3    H244263  -2.617  -2.466   2.770
 1265TIP3   OH244264  -4.072  -0.601   2.682
 1265TIP3    H144265  -4.142  -0.551   2.637
 1265TIP3    H244266  -4.106  -0.608   2.772
 1265TIP3   OH244267  -3.819  -0.668   2.510
 1265TIP3    H144268  -3.883  -0.670   2.583
 1265TIP3    H244269  -3.816  -0.575   2.486
 1265TIP3   OH244270  -3.323  -0.640   2.486
 1265TIP3    H144271  -3.391  -0.608   2.424
 1265TIP3    H244272  -3.347  -0.592   2.567
 1265TIP3   OH244273  -3.103  -0.768   2.587
 1265TIP3    H144274  -3.191  -0.736   2.559
 1265TIP3    H244275  -3.055  -0.684   2.593
 1265TIP3   OH244276  -2.838  -0.612   2.588
 1265TIP3    H144277  -2.853  -0.516   2.581
 1265TIP3    H244278  -2.805  -0.632   2.499
 1265TIP3   OH244279  -4.125  -0.733   2.380
 1265TIP3    H144280  -4.134  -0.773   2.469
 1265TIP3    H244281  -4.044  -0.777   2.349
 1265TIP3   OH244282  -3.903  -0.866   2.228
 1265TIP3    H144283  -3.923  -0.955   2.264
 1265TIP3    H244284  -3.825  -0.842   2.281
 1265TIP3   OH244285  -3.612  -0.816   2.331
 1265TIP3    H144286  -3.613  -0.912   2.315
 1265TIP3    H244287  -3.640  -0.814   2.425
 1266TIP3   OH244288  -3.298  -2.227   2.249
 1266TIP3    H144289  -3.366  -2.295   2.262
 1266TIP3    H244290  -3.237  -2.272   2.188
 1266TIP3   OH244291  -2.802  -2.422   2.296
 1266TIP3    H144292  -2.725  -2.381   2.253
 1266TIP3    H244293  -2.875  -2.396   2.238
 1266TIP3   OH244294  -2.594  -2.315   2.082
 1266TIP3    H144295  -2.523  -2.357   2.030
 1266TIP3    H244296  -2.561  -2.223   2.089
 1266TIP3   OH244297  -4.108  -2.369   2.002
 1266TIP3    H144298  -4.180  -2.399   1.945
 1266TIP3    H244299  -4.045  -2.443   1.992
 1266TIP3   OH244300  -4.183  -2.408   1.582
 1266TIP3    H144301  -4.130  -2.343   1.533
 1266TIP3    H244302  -4.232  -2.351   1.644
 1266TIP3   OH244303  -3.616  -2.372   1.993
 1266TIP3    H144304  -3.525  -2.343   1.976
 1266TIP3    H244305  -3.615  -2.383   2.089
 1266TIP3   OH244306  -3.056  -2.368   2.132
 1266TIP3    H144307  -3.029  -2.384   2.041
 1266TIP3    H244308  -3.093  -2.455   2.157
 1266TIP3   OH244309  -2.945  -2.368   1.734
 1266TIP3    H144310  -3.027  -2.319   1.715
 1266TIP3    H244311  -2.979  -2.459   1.743
 1266TIP3   OH244312  -4.191  -0.805   1.689
 1266TIP3    H144313  -4.248  -0.824   1.613
 1266TIP3    H244314  -4.183  -0.709   1.684
 1266TIP3   OH244315  -4.005  -2.220   1.436
 1266TIP3    H144316  -3.948  -2.279   1.384
 1266TIP3    H244317  -3.943  -2.191   1.506
 1267TIP3   OH244318  -3.501  -2.204   1.698
 1267TIP3    H144319  -3.464  -2.264   1.765
 1267TIP3    H244320  -3.476  -2.118   1.736
 1267TIP3   OH244321  -3.264  -0.606   1.510
 1267TIP3    H144322  -3.172  -0.637   1.502
 1267TIP3    H244323  -3.306  -0.679   1.461
 1267TIP3   OH244324  -2.673  -0.716   1.804
 1267TIP3    H144325  -2.681  -0.799   1.755
 1267TIP3    H244326  -2.635  -0.656   1.739
 1267TIP3   OH244327  -4.081  -2.329   2.954
 1267TIP3    H144328  -4.126  -2.405   2.994
 1267TIP3    H244329  -3.989  -2.343   2.984
 1267TIP3   OH244330  -3.847  -2.392   3.130
 1267TIP3    H144331  -3.764  -2.426   3.091
 1267TIP3    H244332  -3.886  -2.471   3.170
 1267TIP3   OH244333  -4.012  -0.707   1.385
 1267TIP3    H144334  -4.039  -0.689   1.477
 1267TIP3    H244335  -3.943  -0.775   1.397
 1267TIP3   OH244336  -3.028  -2.478   3.144
 1267TIP3    H144337  -3.030  -2.521   3.231
 1267TIP3    H244338  -2.933  -2.485   3.121
 1267TIP3   OH244339  -2.694  -0.849   3.015
 1267TIP3    H144340  -2.770  -0.868   2.957
 1267TIP3    H244341  -2.712  -0.755   3.037
 1267TIP3   OH244342  -1.390  -1.543   2.322
 1267TIP3    H144343  -1.384  -1.581   2.411
 1267TIP3    H244344  -1.423  -1.620   2.272
 1267TIP3   OH244345  -2.145  -1.577   2.505
 1267TIP3    H144346  -2.143  -1.653   2.566
 1267TIP3    H244347  -2.071  -1.525   2.539
 1268TIP3   OH244348  -1.058  -1.254   2.163
 1268TIP3    H144349  -1.046  -1.331   2.220
 1268TIP3    H244350  -0.989  -1.195   2.193
 1268TIP3   OH244351  -2.079  -1.117   2.357
 1268TIP3    H144352  -2.098  -1.210   2.329
 1268TIP3    H244353  -1.984  -1.125   2.373
 1268TIP3   OH244354  -2.380  -1.775   1.897
 1268TIP3    H144355  -2.418  -1.686   1.900
 1268TIP3    H244356  -2.446  -1.824   1.846
 1268TIP3   OH244357  -2.296  -1.528   2.080
 1268TIP3    H144358  -2.280  -1.613   2.125
 1268TIP3    H244359  -2.215  -1.518   2.029
 1268TIP3   OH244360  -1.334  -0.771   2.220
 1268TIP3    H144361  -1.259  -0.830   2.199
 1268TIP3    H244362  -1.346  -0.787   2.315
 1268TIP3   OH244363  -1.540  -1.288   2.395
 1268TIP3    H144364  -1.507  -1.356   2.335
 1268TIP3    H244365  -1.458  -1.270   2.445
 1268TIP3   OH244366  -0.656  -2.133   2.443
 1268TIP3    H144367  -0.636  -2.071   2.515
 1268TIP3    H244368  -0.598  -2.097   2.374
 1268TIP3   OH244369  -1.219  -1.854   2.443
 1268TIP3    H144370  -1.194  -1.948   2.446
 1268TIP3    H244371  -1.213  -1.835   2.348
 1268TIP3   OH244372  -1.915  -2.051   2.153
 1268TIP3    H144373  -1.899  -1.966   2.107
 1268TIP3    H244374  -1.949  -2.103   2.078
 1268TIP3   OH244375  -1.126  -2.029   1.982
 1268TIP3    H144376  -1.069  -2.073   2.049
 1268TIP3    H244377  -1.058  -1.987   1.927
 1269TIP3   OH244378  -2.245  -1.779   2.203
 1269TIP3    H144379  -2.181  -1.827   2.258
 1269TIP3    H244380  -2.237  -1.826   2.119
 1269TIP3   OH244381  -1.701  -1.639   2.144
 1269TIP3    H144382  -1.636  -1.697   2.189
 1269TIP3    H244383  -1.755  -1.705   2.096
 1269TIP3   OH244384  -0.602  -1.998   2.705
 1269TIP3    H144385  -0.659  -1.925   2.674
 1269TIP3    H244386  -0.624  -1.999   2.799
 1269TIP3   OH244387  -2.034  -2.173   2.568
 1269TIP3    H144388  -2.074  -2.123   2.495
 1269TIP3    H244389  -2.099  -2.158   2.639
 1269TIP3   OH244390  -1.354  -1.242   1.957
 1269TIP3    H144391  -1.282  -1.204   2.009
 1269TIP3    H244392  -1.385  -1.163   1.909
 1269TIP3   OH244393  -1.740  -1.384   2.581
 1269TIP3    H144394  -1.814  -1.323   2.605
 1269TIP3    H244395  -1.678  -1.324   2.535
 1269TIP3   OH244396  -0.950  -2.114   2.187
 1269TIP3    H144397  -0.984  -2.167   2.260
 1269TIP3    H244398  -0.892  -2.051   2.234
 1269TIP3   OH244399  -2.074  -1.967   2.362
 1269TIP3    H144400  -2.008  -1.911   2.408
 1269TIP3    H244401  -2.017  -2.004   2.291
 1269TIP3   OH244402  -1.942  -1.197   2.654
 1269TIP3    H144403  -1.945  -1.106   2.620
 1269TIP3    H244404  -2.028  -1.202   2.699
 1269TIP3   OH244405  -2.326  -1.213   1.735
 1269TIP3    H144406  -2.335  -1.165   1.652
 1269TIP3    H244407  -2.303  -1.140   1.797
 1270TIP3   OH244408  -0.962  -1.072   2.433
 1270TIP3    H144409  -1.058  -1.073   2.416
 1270TIP3    H244410  -0.933  -1.004   2.371
 1270TIP3   OH244411  -0.924  -2.193   2.567
 1270TIP3    H144412  -1.003  -2.153   2.525
 1270TIP3    H244413  -0.855  -2.173   2.501
 1270TIP3   OH244414  -1.620  -2.424   2.276
 1270TIP3    H144415  -1.643  -2.518   2.273
 1270TIP3    H244416  -1.701  -2.384   2.313
 1270TIP3   OH244417  -1.090  -0.890   2.074
 1270TIP3    H144418  -1.059  -0.969   2.027
 1270TIP3    H244419  -1.096  -0.826   2.002
 1270TIP3   OH244420  -0.835  -1.217   2.786
 1270TIP3    H144421  -0.846  -1.284   2.715
 1270TIP3    H244422  -0.822  -1.136   2.734
 1270TIP3   OH244423  -1.362  -1.721   1.477
 1270TIP3    H144424  -1.285  -1.680   1.517
 1270TIP3    H244425  -1.334  -1.722   1.383
 1270TIP3   OH244426  -0.660  -1.602   2.581
 1270TIP3    H144427  -0.730  -1.535   2.584
 1270TIP3    H244428  -0.610  -1.574   2.501
 1270TIP3   OH244429  -1.086  -1.556   1.889
 1270TIP3    H144430  -1.106  -1.463   1.897
 1270TIP3    H244431  -0.999  -1.550   1.844
 1270TIP3   OH244432  -1.077  -1.675   2.748
 1270TIP3    H144433  -1.069  -1.592   2.798
 1270TIP3    H244434  -1.137  -1.646   2.678
 1270TIP3   OH244435  -1.905  -1.452   2.041
 1270TIP3    H144436  -1.935  -1.494   1.957
 1270TIP3    H244437  -1.837  -1.515   2.071
 1271TIP3   OH244438  -1.768  -1.115   2.319
 1271TIP3    H144439  -1.773  -1.143   2.226
 1271TIP3    H244440  -1.685  -1.158   2.347
 1271TIP3   OH244441  -1.839  -1.572   2.390
 1271TIP3    H144442  -1.783  -1.566   2.310
 1271TIP3    H244443  -1.800  -1.504   2.448
 1271TIP3   OH244444  -1.255  -1.018   2.451
 1271TIP3    H144445  -1.240  -0.955   2.524
 1271TIP3    H244446  -1.265  -1.103   2.497
 1271TIP3   OH244447  -1.756  -1.139   2.874
 1271TIP3    H144448  -1.808  -1.072   2.921
 1271TIP3    H244449  -1.819  -1.166   2.804
 1271TIP3   OH244450  -2.063  -1.497   2.785
 1271TIP3    H144451  -2.058  -1.441   2.865
 1271TIP3    H244452  -2.158  -1.513   2.778
 1271TIP3   OH244453  -1.400  -0.919   1.970
 1271TIP3    H144454  -1.382  -0.877   2.054
 1271TIP3    H244455  -1.453  -0.854   1.923
 1271TIP3   OH244456  -1.946  -0.919   2.956
 1271TIP3    H144457  -1.956  -0.916   2.859
 1271TIP3    H244458  -2.034  -0.948   2.987
 1271TIP3   OH244459  -0.820  -2.414   1.564
 1271TIP3    H144460  -0.903  -2.394   1.610
 1271TIP3    H244461  -0.782  -2.325   1.551
 1271TIP3   OH244462  -2.013  -1.579   1.803
 1271TIP3    H144463  -2.022  -1.507   1.737
 1271TIP3    H244464  -2.071  -1.645   1.764
 1271TIP3   OH244465  -2.406  -1.311   2.668
 1271TIP3    H144466  -2.440  -1.317   2.576
 1271TIP3    H244467  -2.386  -1.405   2.687
 1272TIP3   OH244468  -2.398  -1.021   2.362
 1272TIP3    H144469  -2.305  -1.049   2.362
 1272TIP3    H244470  -2.397  -0.956   2.434
 1272TIP3   OH244471  -0.557  -0.955   2.939
 1272TIP3    H144472  -0.563  -1.049   2.914
 1272TIP3    H244473  -0.650  -0.936   2.965
 1272TIP3   OH244474  -1.492  -1.035   2.818
 1272TIP3    H144475  -1.486  -0.951   2.868
 1272TIP3    H244476  -1.582  -1.064   2.840
 1272TIP3   OH244477  -2.079  -0.740   1.978
 1272TIP3    H144478  -2.061  -0.784   2.063
 1272TIP3    H244479  -2.167  -0.769   1.956
 1272TIP3   OH244480  -0.880  -1.820   2.979
 1272TIP3    H144481  -0.927  -1.781   2.904
 1272TIP3    H244482  -0.873  -1.913   2.951
 1272TIP3   OH244483  -2.184  -1.154   2.795
 1272TIP3    H144484  -2.153  -1.203   2.874
 1272TIP3    H244485  -2.254  -1.212   2.759
 1272TIP3   OH244486  -1.862  -2.310   2.369
 1272TIP3    H144487  -1.944  -2.315   2.316
 1272TIP3    H244488  -1.884  -2.235   2.426
 1272TIP3   OH244489  -1.425  -2.351   2.732
 1272TIP3    H144490  -1.372  -2.403   2.796
 1272TIP3    H244491  -1.515  -2.385   2.745
 1272TIP3   OH244492  -1.110  -1.973   2.783
 1272TIP3    H144493  -1.169  -1.987   2.859
 1272TIP3    H244494  -1.114  -1.877   2.769
 1272TIP3   OH244495  -1.441  -2.102   1.450
 1272TIP3    H144496  -1.496  -2.095   1.529
 1272TIP3    H244497  -1.492  -2.161   1.393
 1273TIP3   OH244498  -1.877  -1.830   2.507
 1273TIP3    H144499  -1.931  -1.817   2.586
 1273TIP3    H244500  -1.867  -1.738   2.473
 1273TIP3   OH244501  -1.880  -1.822   1.996
 1273TIP3    H144502  -1.976  -1.829   1.979
 1273TIP3    H244503  -1.845  -1.840   1.907
 1273TIP3   OH244504  -1.350  -1.716   1.856
 1273TIP3    H144505  -1.383  -1.678   1.773
 1273TIP3    H244506  -1.258  -1.736   1.829
 1273TIP3   OH244507  -1.403  -1.743   3.013
 1273TIP3    H144508  -1.453  -1.821   3.046
 1273TIP3    H244509  -1.314  -1.759   3.051
 1273TIP3   OH244510  -1.245  -1.826   2.139
 1273TIP3    H144511  -1.260  -1.766   2.064
 1273TIP3    H244512  -1.212  -1.905   2.092
 1273TIP3   OH244513  -2.148  -1.810   2.695
 1273TIP3    H144514  -2.108  -1.785   2.779
 1273TIP3    H244515  -2.176  -1.901   2.714
 1273TIP3   OH244516  -1.802  -2.047   1.346
 1273TIP3    H144517  -1.844  -2.090   1.422
 1273TIP3    H244518  -1.877  -2.039   1.284
 1273TIP3   OH244519  -2.460  -2.069   2.059
 1273TIP3    H144520  -2.395  -2.070   2.132
 1273TIP3    H244521  -2.409  -2.102   1.983
 1273TIP3   OH244522  -2.295  -2.017   1.630
 1273TIP3    H144523  -2.245  -1.972   1.559
 1273TIP3    H244524  -2.368  -1.954   1.641
 1273TIP3   OH244525  -1.328  -1.656   2.595
 1273TIP3    H144526  -1.284  -1.727   2.543
 1273TIP3    H244527  -1.357  -1.704   2.673
 1274TIP3   OH244528  -1.605  -2.064   2.099
 1274TIP3    H144529  -1.699  -2.066   2.122
 1274TIP3    H244530  -1.563  -2.082   2.184
 1274TIP3   OH244531  -2.151  -1.942   1.969
 1274TIP3    H144532  -2.230  -1.913   1.919
 1274TIP3    H244533  -2.120  -2.019   1.918
 1274TIP3   OH244534  -1.784  -1.898   1.733
 1274TIP3    H144535  -1.687  -1.892   1.734
 1274TIP3    H244536  -1.810  -1.847   1.654
 1274TIP3   OH244537  -1.165  -2.152   2.405
 1274TIP3    H144538  -1.231  -2.148   2.477
 1274TIP3    H244539  -1.221  -2.181   2.331
 1274TIP3   OH244540  -1.927  -1.786   1.498
 1274TIP3    H144541  -1.987  -1.821   1.431
 1274TIP3    H244542  -1.848  -1.765   1.446
 1274TIP3   OH244543  -0.868  -0.569   3.068
 1274TIP3    H144544  -0.844  -0.527   2.983
 1274TIP3    H244545  -0.793  -0.543   3.125
 1274TIP3   OH244546  -2.075  -1.308   3.010
 1274TIP3    H144547  -2.007  -1.301   3.080
 1274TIP3    H244548  -2.155  -1.311   3.067
 1274TIP3   OH244549  -1.504  -1.808   2.281
 1274TIP3    H144550  -1.429  -1.848   2.235
 1274TIP3    H244551  -1.516  -1.869   2.356
 1274TIP3   OH244552  -1.973  -2.167   1.901
 1274TIP3    H144553  -2.029  -2.245   1.911
 1274TIP3    H244554  -1.894  -2.203   1.859
 1274TIP3   OH244555  -1.608  -1.965   2.507
 1274TIP3    H144556  -1.683  -1.904   2.509
 1274TIP3    H244557  -1.557  -1.939   2.586
 1275TIP3   OH244558  -1.563  -1.378   1.727
 1275TIP3    H144559  -1.594  -1.383   1.635
 1275TIP3    H244560  -1.575  -1.284   1.744
 1275TIP3   OH244561  -0.871  -1.405   2.572
 1275TIP3    H144562  -0.818  -1.354   2.507
 1275TIP3    H244563  -0.954  -1.420   2.522
 1275TIP3   OH244564  -1.182  -2.032   1.498
 1275TIP3    H144565  -1.273  -2.018   1.465
 1275TIP3    H244566  -1.158  -1.943   1.531
 1275TIP3   OH244567  -1.428  -1.323   2.829
 1275TIP3    H144568  -1.459  -1.355   2.915
 1275TIP3    H244569  -1.458  -1.231   2.828
 1275TIP3   OH244570  -1.115  -1.818   1.677
 1275TIP3    H144571  -1.034  -1.855   1.717
 1275TIP3    H244572  -1.076  -1.746   1.624
 1275TIP3   OH244573  -2.078  -1.385   2.278
 1275TIP3    H144574  -2.023  -1.395   2.198
 1275TIP3    H244575  -2.067  -1.471   2.321
 1275TIP3   OH244576  -2.356  -1.555   2.807
 1275TIP3    H144577  -2.335  -1.601   2.891
 1275TIP3    H244578  -2.411  -1.620   2.760
 1275TIP3   OH244579  -1.655  -1.605   3.002
 1275TIP3    H144580  -1.687  -1.631   2.914
 1275TIP3    H244581  -1.562  -1.635   2.996
 1275TIP3   OH244582  -1.201  -1.064   2.775
 1275TIP3    H144583  -1.298  -1.057   2.768
 1275TIP3    H244584  -1.186  -1.039   2.868
 1275TIP3   OH244585  -0.652  -1.843   1.636
 1275TIP3    H144586  -0.709  -1.863   1.560
 1275TIP3    H244587  -0.647  -1.745   1.629
 1276TIP3   OH244588  -0.603  -1.252   2.934
 1276TIP3    H144589  -0.696  -1.233   2.911
 1276TIP3    H244590  -0.567  -1.276   2.846
 1276TIP3   OH244591  -1.100  -1.466   2.403
 1276TIP3    H144592  -1.191  -1.479   2.373
 1276TIP3    H244593  -1.056  -1.539   2.354
 1276TIP3   OH244594  -1.843  -1.045   2.011
 1276TIP3    H144595  -1.794  -0.966   1.982
 1276TIP3    H244596  -1.927  -1.030   1.967
 1276TIP3   OH244597  -2.247  -1.575   1.458
 1276TIP3    H144598  -2.188  -1.512   1.504
 1276TIP3    H244599  -2.334  -1.546   1.488
 1276TIP3   OH244600  -1.661  -1.298   1.989
 1276TIP3    H144601  -1.681  -1.204   1.974
 1276TIP3    H244602  -1.750  -1.334   2.000
 1276TIP3   OH244603  -1.641  -0.861   2.604
 1276TIP3    H144604  -1.585  -0.789   2.571
 1276TIP3    H244605  -1.578  -0.912   2.656
 1276TIP3   OH244606  -1.791  -0.777   1.923
 1276TIP3    H144607  -1.880  -0.764   1.886
 1276TIP3    H244608  -1.758  -0.686   1.922
 1276TIP3   OH244609  -1.299  -1.290   2.558
 1276TIP3    H144610  -1.326  -1.318   2.647
 1276TIP3    H244611  -1.224  -1.349   2.540
 1276TIP3   OH244612  -1.008  -0.828   2.802
 1276TIP3    H144613  -1.081  -0.876   2.758
 1276TIP3    H244614  -0.995  -0.752   2.742
 1276TIP3   OH244615  -2.221  -2.091   2.767
 1276TIP3    H144616  -2.312  -2.067   2.740
 1276TIP3    H244617  -2.235  -2.179   2.807
 1277TIP3   OH244618  -2.248  -0.917   2.608
 1277TIP3    H144619  -2.213  -1.007   2.619
 1277TIP3    H244620  -2.220  -0.877   2.692
 1277TIP3   OH244621  -2.120  -1.380   1.630
 1277TIP3    H144622  -2.181  -1.323   1.679
 1277TIP3    H244623  -2.054  -1.318   1.595
 1277TIP3   OH244624  -1.326  -2.108   2.622
 1277TIP3    H144625  -1.261  -2.081   2.689
 1277TIP3    H244626  -1.372  -2.183   2.664
 1277TIP3   OH244627  -1.260  -2.164   1.738
 1277TIP3    H144628  -1.239  -2.114   1.656
 1277TIP3    H244629  -1.212  -2.112   1.804
 1277TIP3   OH244630  -1.475  -0.973   1.667
 1277TIP3    H144631  -1.564  -0.940   1.651
 1277TIP3    H244632  -1.423  -0.921   1.604
 1277TIP3   OH244633  -1.514  -1.964   1.842
 1277TIP3    H144634  -1.443  -1.898   1.852
 1277TIP3    H244635  -1.542  -1.979   1.934
 1277TIP3   OH244636  -1.485  -1.875   2.759
 1277TIP3    H144637  -1.476  -1.822   2.840
 1277TIP3    H244638  -1.429  -1.951   2.778
 1277TIP3   OH244639  -1.460  -2.265   1.932
 1277TIP3    H144640  -1.479  -2.198   2.000
 1277TIP3    H244641  -1.386  -2.222   1.885
 1277TIP3   OH244642  -1.883  -2.163   1.588
 1277TIP3    H144643  -1.893  -2.082   1.641
 1277TIP3    H244644  -1.798  -2.197   1.620
 1277TIP3   OH244645  -0.856  -2.073   2.847
 1277TIP3    H144646  -0.951  -2.060   2.829
 1277TIP3    H244647  -0.827  -2.093   2.757
 1278TIP3   OH244648  -1.017  -1.688   2.264
 1278TIP3    H144649  -1.078  -1.737   2.208
 1278TIP3    H244650  -0.948  -1.755   2.283
 1278TIP3   OH244651  -2.230  -1.860   1.408
 1278TIP3    H144652  -2.221  -1.763   1.419
 1278TIP3    H244653  -2.298  -1.865   1.338
 1278TIP3   OH244654  -0.909  -0.768   2.400
 1278TIP3    H144655  -0.915  -0.719   2.317
 1278TIP3    H244656  -0.813  -0.781   2.408
 1278TIP3   OH244657  -2.142  -2.352   2.286
 1278TIP3    H144658  -2.158  -2.354   2.190
 1278TIP3    H244659  -2.175  -2.439   2.315
 1278TIP3   OH244660  -2.269  -0.979   1.877
 1278TIP3    H144661  -2.334  -0.914   1.905
 1278TIP3    H244662  -2.202  -0.926   1.831
 1278TIP3   OH244663  -2.311  -0.712   3.028
 1278TIP3    H144664  -2.253  -0.740   3.101
 1278TIP3    H244665  -2.349  -0.797   3.000
 1278TIP3   OH244666  -1.842  -0.806   3.207
 1278TIP3    H144667  -1.773  -0.871   3.228
 1278TIP3    H244668  -1.865  -0.832   3.116
 1278TIP3   OH244669  -1.198  -0.977   3.066
 1278TIP3    H144670  -1.237  -1.061   3.099
 1278TIP3    H244671  -1.127  -0.960   3.130
 1278TIP3   OH244672  -2.316  -1.349   3.140
 1278TIP3    H144673  -2.306  -1.440   3.109
 1278TIP3    H244674  -2.393  -1.319   3.087
 1278TIP3   OH244675  -1.653  -1.330   3.075
 1278TIP3    H144676  -1.683  -1.298   2.988
 1278TIP3    H244677  -1.645  -1.427   3.060
 1279TIP3   OH244678  -1.116  -1.368   2.815
 1279TIP3    H144679  -1.037  -1.318   2.790
 1279TIP3    H244680  -1.185  -1.300   2.811
 1279TIP3   OH244681  -2.230  -1.635   3.057
 1279TIP3    H144682  -2.156  -1.699   3.056
 1279TIP3    H244683  -2.234  -1.615   3.152
 1279TIP3   OH244684  -1.798  -1.494   1.575
 1279TIP3    H144685  -1.836  -1.565   1.627
 1279TIP3    H244686  -1.754  -1.543   1.503
 1279TIP3   OH244687  -1.868  -1.724   2.797
 1279TIP3    H144688  -1.916  -1.643   2.821
 1279TIP3    H244689  -1.798  -1.689   2.739
 1279TIP3   OH244690  -1.661  -1.689   1.399
 1279TIP3    H144691  -1.660  -1.678   1.303
 1279TIP3    H244692  -1.566  -1.679   1.418
 1279TIP3   OH244693  -1.332  -1.451   3.159
 1279TIP3    H144694  -1.244  -1.472   3.123
 1279TIP3    H244695  -1.359  -1.537   3.194
 1279TIP3   OH244696  -1.806  -1.993   2.915
 1279TIP3    H144697  -1.797  -2.059   2.844
 1279TIP3    H244698  -1.824  -1.913   2.863
 1279TIP3   OH244699  -1.772  -2.146   2.661
 1279TIP3    H144700  -1.719  -2.095   2.597
 1279TIP3    H244701  -1.862  -2.143   2.623
 1279TIP3   OH244702  -1.618  -1.602   2.701
 1279TIP3    H144703  -1.534  -1.612   2.654
 1279TIP3    H244704  -1.647  -1.514   2.669
 1279TIP3   OH244705  -1.158  -1.808   3.181
 1279TIP3    H144706  -1.136  -1.902   3.190
 1279TIP3    H244707  -1.069  -1.770   3.170
 1280TIP3   OH244708  -1.063  -1.528   3.030
 1280TIP3    H144709  -1.096  -1.468   2.959
 1280TIP3    H244710  -0.974  -1.546   2.995
 1280TIP3   OH244711  -1.985  -1.808   3.093
 1280TIP3    H144712  -2.037  -1.890   3.095
 1280TIP3    H244713  -1.903  -1.838   3.050
 1280TIP3   OH244714  -1.700  -2.414   2.696
 1280TIP3    H144715  -1.716  -2.318   2.679
 1280TIP3    H244716  -1.769  -2.455   2.641
 1280TIP3   OH244717  -1.574  -1.955   3.075
 1280TIP3    H144718  -1.609  -1.979   3.163
 1280TIP3    H244719  -1.652  -1.976   3.020
 1280TIP3   OH244720  -1.319  -2.051   2.962
 1280TIP3    H144721  -1.408  -2.048   3.002
 1280TIP3    H244722  -1.273  -2.115   3.019
 1280TIP3   OH244723  -1.135  -2.203   3.134
 1280TIP3    H144724  -1.150  -2.299   3.149
 1280TIP3    H244725  -1.152  -2.163   3.221
 1280TIP3   OH244726  -2.118  -2.062   3.078
 1280TIP3    H144727  -2.124  -2.133   3.012
 1280TIP3    H244728  -2.138  -2.111   3.161
 1280TIP3   OH244729  -1.715  -2.464   2.977
 1280TIP3    H144730  -1.657  -2.541   2.983
 1280TIP3    H244731  -1.717  -2.450   2.880
 1280TIP3   OH244732  -1.620  -2.278   3.161
 1280TIP3    H144733  -1.650  -2.338   3.090
 1280TIP3    H244734  -1.691  -2.211   3.165
 1280TIP3   OH244735  -2.443  -0.611   1.941
 1280TIP3    H144736  -2.512  -0.654   1.888
 1280TIP3    H244737  -2.418  -0.681   2.004
 1281TIP3   OH244738  -2.394  -0.819   2.135
 1281TIP3    H144739  -2.404  -0.908   2.172
 1281TIP3    H244740  -2.349  -0.775   2.209
 1281TIP3   OH244741  -0.629  -0.672   2.442
 1281TIP3    H144742  -0.603  -0.697   2.532
 1281TIP3    H244743  -0.544  -0.664   2.397
 1281TIP3   OH244744  -0.640  -0.741   2.731
 1281TIP3    H144745  -0.692  -0.812   2.689
 1281TIP3    H244746  -0.582  -0.794   2.788
 1281TIP3   OH244747  -0.839  -1.196   3.155
 1281TIP3    H144748  -0.927  -1.193   3.195
 1281TIP3    H244749  -0.795  -1.115   3.186
 1281TIP3   OH244750  -0.681  -1.261   2.423
 1281TIP3    H144751  -0.623  -1.315   2.366
 1281TIP3    H244752  -0.666  -1.172   2.386
 1281TIP3   OH244753  -0.810  -0.967   2.647
 1281TIP3    H144754  -0.886  -0.933   2.695
 1281TIP3    H244755  -0.853  -1.007   2.568
 1281TIP3   OH244756  -0.821  -1.712   2.035
 1281TIP3    H144757  -0.856  -1.756   1.957
 1281TIP3    H244758  -0.889  -1.649   2.058
 1281TIP3   OH244759  -2.378  -1.473   2.378
 1281TIP3    H144760  -2.354  -1.474   2.284
 1281TIP3    H244761  -2.292  -1.498   2.418
 1281TIP3   OH244762  -0.801  -1.505   2.926
 1281TIP3    H144763  -0.727  -1.569   2.932
 1281TIP3    H244764  -0.755  -1.425   2.899
 1281TIP3   OH244765  -0.647  -1.698   3.052
 1281TIP3    H144766  -0.725  -1.750   3.021
 1281TIP3    H244767  -0.575  -1.763   3.042
 1282TIP3   OH244768  -0.854  -2.058   1.344
 1282TIP3    H144769  -0.797  -2.119   1.392
 1282TIP3    H244770  -0.933  -2.108   1.319
 1282TIP3   OH244771  -0.888  -1.936   1.822
 1282TIP3    H144772  -0.853  -2.027   1.828
 1282TIP3    H244773  -0.812  -1.892   1.780
 1282TIP3   OH244774  -0.851  -1.896   2.369
 1282TIP3    H144775  -0.755  -1.879   2.356
 1282TIP3    H244776  -0.858  -1.885   2.465
 1282TIP3   OH244777  -0.834  -1.818   2.655
 1282TIP3    H144778  -0.920  -1.777   2.675
 1282TIP3    H244779  -0.780  -1.741   2.628
 1282TIP3   OH244780  -2.385  -1.943   3.017
 1282TIP3    H144781  -2.291  -1.969   3.021
 1282TIP3    H244782  -2.428  -2.030   3.024
 1282TIP3   OH244783  -0.578  -2.405   3.180
 1282TIP3    H144784  -0.537  -2.473   3.123
 1282TIP3    H244785  -0.576  -2.327   3.121
 1282TIP3   OH244786  -0.828  -2.220   1.823
 1282TIP3    H144787  -0.811  -2.254   1.912
 1282TIP3    H244788  -0.905  -2.273   1.795
 1282TIP3   OH244789  -2.309  -2.110   2.301
 1282TIP3    H144790  -2.262  -2.195   2.304
 1282TIP3    H244791  -2.239  -2.050   2.332
 1282TIP3   OH244792  -2.455  -1.841   2.401
 1282TIP3    H144793  -2.396  -1.850   2.324
 1282TIP3    H244794  -2.414  -1.766   2.447
 1282TIP3   OH244795  -0.642  -2.199   3.006
 1282TIP3    H144796  -0.730  -2.157   3.005
 1282TIP3    H244797  -0.649  -2.254   2.925
 1283TIP3   OH244798  -0.632  -2.190   1.493
 1283TIP3    H144799  -0.592  -2.260   1.438
 1283TIP3    H244800  -0.557  -2.128   1.503
 1283TIP3   OH244801  -2.404  -2.205   1.809
 1283TIP3    H144802  -2.498  -2.203   1.784
 1283TIP3    H244803  -2.363  -2.148   1.741
 1283TIP3   OH244804  -2.399  -2.318   2.624
 1283TIP3    H144805  -2.471  -2.348   2.681
 1283TIP3    H244806  -2.449  -2.268   2.556
 1283TIP3   OH244807  -2.201  -1.008   3.091
 1283TIP3    H144808  -2.272  -1.014   3.026
 1283TIP3    H244809  -2.248  -1.016   3.175
 1283TIP3   OH244810  -1.918  -0.911   2.658
 1283TIP3    H144811  -1.947  -0.826   2.621
 1283TIP3    H244812  -1.822  -0.905   2.640
 1283TIP3   OH244813  -1.468  -0.781   2.959
 1283TIP3    H144814  -1.450  -0.799   3.053
 1283TIP3    H244815  -1.385  -0.737   2.932
 1283TIP3   OH244816  -1.240  -0.632   2.881
 1283TIP3    H144817  -1.172  -0.696   2.853
 1283TIP3    H244818  -1.207  -0.606   2.969
 1283TIP3   OH244819  -0.757  -2.378   2.804
 1283TIP3    H144820  -0.834  -2.356   2.750
 1283TIP3    H244821  -0.732  -2.466   2.770
 1283TIP3   OH244822  -2.179  -0.616   2.690
 1283TIP3    H144823  -2.240  -0.554   2.645
 1283TIP3    H244824  -2.215  -0.614   2.780
 1283TIP3   OH244825  -1.930  -0.640   2.548
 1283TIP3    H144826  -2.016  -0.620   2.590
 1283TIP3    H244827  -1.925  -0.575   2.476
 1284TIP3   OH244828  -1.454  -0.640   2.499
 1284TIP3    H144829  -1.490  -0.597   2.419
 1284TIP3    H244830  -1.445  -0.565   2.559
 1284TIP3   OH244831  -1.223  -0.769   2.598
 1284TIP3    H144832  -1.306  -0.737   2.560
 1284TIP3    H244833  -1.165  -0.693   2.586
 1284TIP3   OH244834  -0.966  -0.599   2.618
 1284TIP3    H144835  -0.979  -0.509   2.584
 1284TIP3    H244836  -0.942  -0.648   2.537
 1284TIP3   OH244837  -2.233  -0.739   2.384
 1284TIP3    H144838  -2.230  -0.784   2.471
 1284TIP3    H244839  -2.153  -0.777   2.342
 1284TIP3   OH244840  -2.026  -0.858   2.240
 1284TIP3    H144841  -2.032  -0.954   2.257
 1284TIP3    H244842  -1.931  -0.841   2.259
 1284TIP3   OH244843  -1.745  -0.805   2.315
 1284TIP3    H144844  -1.718  -0.894   2.286
 1284TIP3    H244845  -1.737  -0.814   2.411
 1284TIP3   OH244846  -1.412  -2.226   2.247
 1284TIP3    H144847  -1.480  -2.295   2.260
 1284TIP3    H244848  -1.347  -2.272   2.190
 1284TIP3   OH244849  -0.914  -2.424   2.294
 1284TIP3    H144850  -0.837  -2.379   2.253
 1284TIP3    H244851  -0.987  -2.392   2.240
 1284TIP3   OH244852  -0.710  -2.316   2.075
 1284TIP3    H144853  -0.634  -2.352   2.027
 1284TIP3    H244854  -0.674  -2.227   2.097
 1284TIP3   OH244855  -2.176  -2.358   2.007
 1284TIP3    H144856  -2.261  -2.368   1.959
 1284TIP3    H244857  -2.133  -2.443   1.988
 1285TIP3   OH244858  -2.291  -2.410   1.594
 1285TIP3    H144859  -2.240  -2.346   1.539
 1285TIP3    H244860  -2.336  -2.351   1.656
 1285TIP3   OH244861  -1.728  -2.379   1.988
 1285TIP3    H144862  -1.639  -2.342   1.978
 1285TIP3    H244863  -1.734  -2.387   2.084
 1285TIP3   OH244864  -1.177  -2.367   2.130
 1285TIP3    H144865  -1.139  -2.381   2.042
 1285TIP3    H244866  -1.205  -2.457   2.154
 1285TIP3   OH244867  -1.059  -2.373   1.733
 1285TIP3    H144868  -1.137  -2.318   1.710
 1285TIP3    H244869  -1.099  -2.461   1.745
 1285TIP3   OH244870  -2.131  -2.239   1.448
 1285TIP3    H144871  -2.075  -2.263   1.372
 1285TIP3    H244872  -2.066  -2.190   1.502
 1285TIP3   OH244873  -1.619  -2.224   1.692
 1285TIP3    H144874  -1.578  -2.269   1.769
 1285TIP3    H244875  -1.595  -2.132   1.715
 1285TIP3   OH244876  -1.418  -0.723   1.538
 1285TIP3    H144877  -1.378  -0.636   1.541
 1285TIP3    H244878  -1.465  -0.722   1.454
 1285TIP3   OH244879  -2.197  -2.332   2.957
 1285TIP3    H144880  -2.236  -2.414   2.992
 1285TIP3    H244881  -2.104  -2.345   2.983
 1285TIP3   OH244882  -1.958  -2.393   3.129
 1285TIP3    H144883  -1.876  -2.428   3.089
 1285TIP3    H244884  -1.992  -2.473   3.174
 1285TIP3   OH244885  -1.145  -2.483   3.147
 1285TIP3    H144886  -1.142  -2.524   3.235
 1285TIP3    H244887  -1.051  -2.486   3.120
 1286TIP3   OH244888  -0.815  -0.849   3.022
 1286TIP3    H144889  -0.882  -0.869   2.954
 1286TIP3    H244890  -0.829  -0.754   3.033
 1286TIP3   OH244891   0.615  -1.479   2.025
 1286TIP3    H144892   0.614  -1.383   2.038
 1286TIP3    H244893   0.544  -1.491   1.961
 1286TIP3   OH244894   0.500  -1.538   2.336
 1286TIP3    H144895   0.494  -1.593   2.415
 1286TIP3    H244896   0.468  -1.598   2.267
 1286TIP3   OH244897  -0.264  -1.570   2.512
 1286TIP3    H144898  -0.259  -1.652   2.563
 1286TIP3    H244899  -0.180  -1.527   2.535
 1286TIP3   OH244900   0.865  -1.267   2.166
 1286TIP3    H144901   0.826  -1.333   2.224
 1286TIP3    H244902   0.889  -1.198   2.229
 1286TIP3   OH244903  -0.192  -1.124   2.360
 1286TIP3    H144904  -0.214  -1.215   2.331
 1286TIP3    H244905  -0.096  -1.133   2.369
 1286TIP3   OH244906  -0.521  -1.755   1.891
 1286TIP3    H144907  -0.576  -1.676   1.904
 1286TIP3    H244908  -0.577  -1.804   1.829
 1286TIP3   OH244909  -0.416  -1.514   2.098
 1286TIP3    H144910  -0.440  -1.606   2.114
 1286TIP3    H244911  -0.347  -1.524   2.033
 1286TIP3   OH244912   0.583  -0.697   2.248
 1286TIP3    H144913   0.615  -0.750   2.174
 1286TIP3    H244914   0.551  -0.764   2.309
 1286TIP3   OH244915   0.342  -1.285   2.398
 1286TIP3    H144916   0.372  -1.352   2.334
 1286TIP3    H244917   0.426  -1.270   2.445
 1287TIP3   OH244918   1.214  -2.136   2.459
 1287TIP3    H144919   1.236  -2.072   2.528
 1287TIP3    H244920   1.272  -2.106   2.386
 1287TIP3   OH244921   0.678  -1.852   2.446
 1287TIP3    H144922   0.687  -1.949   2.450
 1287TIP3    H244923   0.668  -1.838   2.350
 1287TIP3   OH244924   0.758  -2.037   1.981
 1287TIP3    H144925   0.815  -2.078   2.049
 1287TIP3    H244926   0.823  -1.988   1.929
 1287TIP3   OH244927  -0.320  -1.778   2.224
 1287TIP3    H144928  -0.282  -1.855   2.271
 1287TIP3    H244929  -0.331  -1.816   2.136
 1287TIP3   OH244930   0.177  -1.637   2.148
 1287TIP3    H144931   0.247  -1.693   2.188
 1287TIP3    H244932   0.124  -1.704   2.099
 1287TIP3   OH244933   1.286  -1.995   2.707
 1287TIP3    H144934   1.227  -1.925   2.676
 1287TIP3    H244935   1.261  -2.001   2.800
 1287TIP3   OH244936  -0.139  -2.151   2.568
 1287TIP3    H144937  -0.185  -2.127   2.484
 1287TIP3    H244938  -0.211  -2.135   2.631
 1287TIP3   OH244939   0.593  -1.193   1.907
 1287TIP3    H144940   0.574  -1.214   1.814
 1287TIP3    H244941   0.558  -1.104   1.915
 1287TIP3   OH244942   0.149  -1.383   2.584
 1287TIP3    H144943   0.074  -1.325   2.606
 1287TIP3    H244944   0.208  -1.324   2.534
 1287TIP3   OH244945   0.941  -2.112   2.188
 1287TIP3    H144946   0.897  -2.168   2.253
 1287TIP3    H244947   0.990  -2.050   2.244
 1288TIP3   OH244948  -0.054  -1.196   2.658
 1288TIP3    H144949  -0.061  -1.106   2.620
 1288TIP3    H244950  -0.142  -1.206   2.696
 1288TIP3   OH244951   0.922  -1.079   2.422
 1288TIP3    H144952   0.824  -1.070   2.420
 1288TIP3    H244953   0.948  -0.995   2.380
 1288TIP3   OH244954   0.953  -2.194   2.572
 1288TIP3    H144955   0.875  -2.156   2.527
 1288TIP3    H244956   1.024  -2.177   2.508
 1288TIP3   OH244957   0.257  -2.419   2.290
 1288TIP3    H144958   0.238  -2.513   2.274
 1288TIP3    H244959   0.169  -2.385   2.313
 1288TIP3   OH244960   0.780  -0.889   2.082
 1288TIP3    H144961   0.803  -0.961   2.021
 1288TIP3    H244962   0.761  -0.816   2.023
 1288TIP3   OH244963   0.900  -1.114   1.913
 1288TIP3    H144964   0.831  -1.156   1.860
 1288TIP3    H244965   0.893  -1.164   1.997
 1288TIP3   OH244966   1.053  -1.219   2.786
 1288TIP3    H144967   1.038  -1.283   2.714
 1288TIP3    H244968   1.061  -1.135   2.737
 1288TIP3   OH244969   0.503  -1.531   1.724
 1288TIP3    H144970   0.432  -1.469   1.698
 1288TIP3    H244971   0.570  -1.506   1.659
 1288TIP3   OH244972   1.228  -1.600   2.578
 1288TIP3    H144973   1.154  -1.537   2.587
 1288TIP3    H244974   1.273  -1.564   2.500
 1288TIP3   OH244975   0.819  -1.541   1.832
 1288TIP3    H144976   0.757  -1.508   1.900
 1288TIP3    H244977   0.889  -1.580   1.888
 1289TIP3   OH244978   0.812  -1.675   2.748
 1289TIP3    H144979   0.816  -1.592   2.798
 1289TIP3    H244980   0.746  -1.648   2.681
 1289TIP3   OH244981  -0.007  -1.453   2.017
 1289TIP3    H144982  -0.035  -1.516   1.949
 1289TIP3    H244983   0.049  -1.510   2.072
 1289TIP3   OH244984   0.120  -1.117   2.297
 1289TIP3    H144985   0.130  -1.162   2.211
 1289TIP3    H244986   0.199  -1.153   2.343
 1289TIP3   OH244987   0.043  -1.572   2.392
 1289TIP3    H144988   0.101  -1.570   2.314
 1289TIP3    H244989   0.086  -1.509   2.452
 1289TIP3   OH244990   0.637  -1.020   2.450
 1289TIP3    H144991   0.641  -0.953   2.520
 1289TIP3    H244992   0.617  -1.102   2.498
 1289TIP3   OH244993   0.129  -1.140   2.874
 1289TIP3    H144994   0.077  -1.071   2.920
 1289TIP3    H244995   0.068  -1.167   2.803
 1289TIP3   OH244996  -0.171  -1.497   2.788
 1289TIP3    H144997  -0.174  -1.443   2.869
 1289TIP3    H244998  -0.266  -1.512   2.770
 1289TIP3   OH244999  -0.062  -0.916   2.956
 1289TIP3    H145000  -0.069  -0.914   2.859
 1289TIP3    H245001  -0.149  -0.950   2.984
 1289TIP3   OH245002   1.067  -2.411   1.561
 1289TIP3    H145003   0.980  -2.399   1.605
 1289TIP3    H245004   1.103  -2.321   1.561
 1289TIP3   OH245005  -0.120  -1.555   1.734
 1289TIP3    H145006  -0.159  -1.481   1.780
 1289TIP3    H245007  -0.174  -1.631   1.762
 1290TIP3   OH245008  -0.517  -1.309   2.668
 1290TIP3    H145009  -0.557  -1.308   2.578
 1290TIP3    H245010  -0.501  -1.405   2.680
 1290TIP3   OH245011  -0.510  -1.008   2.357
 1290TIP3    H145012  -0.419  -1.043   2.353
 1290TIP3    H245013  -0.507  -0.955   2.437
 1290TIP3   OH245014   1.329  -0.957   2.938
 1290TIP3    H145015   1.317  -1.051   2.919
 1290TIP3    H245016   1.238  -0.933   2.966
 1290TIP3   OH245017   0.394  -1.036   2.819
 1290TIP3    H145018   0.400  -0.951   2.868
 1290TIP3    H245019   0.303  -1.064   2.839
 1290TIP3   OH245020   1.009  -1.820   2.978
 1290TIP3    H145021   0.955  -1.780   2.908
 1290TIP3    H245022   1.012  -1.913   2.950
 1290TIP3   OH245023  -0.303  -1.150   2.798
 1290TIP3    H145024  -0.268  -1.205   2.872
 1290TIP3    H245025  -0.369  -1.208   2.757
 1290TIP3   OH245026  -0.016  -2.324   2.351
 1290TIP3    H145027  -0.098  -2.316   2.299
 1290TIP3    H245028  -0.024  -2.243   2.404
 1290TIP3   OH245029   0.461  -2.350   2.732
 1290TIP3    H145030   0.513  -2.404   2.795
 1290TIP3    H245031   0.370  -2.383   2.745
 1290TIP3   OH245032   0.779  -1.971   2.786
 1290TIP3    H145033   0.715  -1.987   2.858
 1290TIP3    H245034   0.769  -1.875   2.769
 1290TIP3   OH245035   0.008  -1.853   2.504
 1290TIP3    H145036  -0.075  -1.856   2.553
 1290TIP3    H245037  -0.008  -1.778   2.444
 1291TIP3   OH245038   0.004  -1.805   1.986
 1291TIP3    H145039  -0.087  -1.840   1.998
 1291TIP3    H245040   0.034  -1.865   1.916
 1291TIP3   OH245041   0.562  -1.767   1.872
 1291TIP3    H145042   0.525  -1.683   1.839
 1291TIP3    H245043   0.637  -1.776   1.812
 1291TIP3   OH245044   0.483  -1.745   3.011
 1291TIP3    H145045   0.433  -1.821   3.045
 1291TIP3    H245046   0.571  -1.759   3.051
 1291TIP3   OH245047   0.654  -1.827   2.155
 1291TIP3    H145048   0.623  -1.767   2.085
 1291TIP3    H245049   0.672  -1.907   2.102
 1291TIP3   OH245050  -0.271  -1.807   2.701
 1291TIP3    H145051  -0.220  -1.788   2.781
 1291TIP3    H245052  -0.294  -1.900   2.714
 1291TIP3   OH245053  -0.554  -2.083   2.086
 1291TIP3    H145054  -0.475  -2.077   2.142
 1291TIP3    H245055  -0.518  -2.102   1.999
 1291TIP3   OH245056  -0.421  -2.018   1.620
 1291TIP3    H145057  -0.362  -1.970   1.558
 1291TIP3    H245058  -0.487  -1.950   1.637
 1291TIP3   OH245059   0.562  -1.658   2.600
 1291TIP3    H145060   0.605  -1.730   2.548
 1291TIP3    H245061   0.525  -1.707   2.674
 1291TIP3   OH245062   0.249  -2.067   2.104
 1291TIP3    H145063   0.154  -2.059   2.123
 1291TIP3    H245064   0.287  -2.076   2.193
 1291TIP3   OH245065  -0.262  -1.916   1.943
 1291TIP3    H145066  -0.355  -1.911   1.917
 1291TIP3    H245067  -0.238  -2.008   1.924
 1292TIP3   OH245068   0.123  -1.917   1.717
 1292TIP3    H145069   0.209  -1.891   1.754
 1292TIP3    H245070   0.083  -1.834   1.688
 1292TIP3   OH245071   0.719  -2.151   2.400
 1292TIP3    H145072   0.655  -2.149   2.474
 1292TIP3    H245073   0.660  -2.183   2.329
 1292TIP3   OH245074  -0.082  -1.840   1.510
 1292TIP3    H145075  -0.123  -1.827   1.423
 1292TIP3    H245076  -0.026  -1.763   1.517
 1292TIP3   OH245077   1.020  -0.571   3.068
 1292TIP3    H145078   1.041  -0.526   2.985
 1292TIP3    H245079   1.090  -0.540   3.127
 1292TIP3   OH245080  -0.191  -1.306   3.012
 1292TIP3    H145081  -0.121  -1.301   3.081
 1292TIP3    H245082  -0.270  -1.311   3.068
 1292TIP3   OH245083   0.382  -1.809   2.277
 1292TIP3    H145084   0.458  -1.856   2.239
 1292TIP3    H245085   0.360  -1.865   2.354
 1292TIP3   OH245086  -0.084  -2.157   1.904
 1292TIP3    H145087  -0.143  -2.227   1.938
 1292TIP3    H245088  -0.021  -2.206   1.851
 1292TIP3   OH245089   0.271  -1.947   2.508
 1292TIP3    H145090   0.183  -1.904   2.509
 1292TIP3    H245091   0.310  -1.919   2.593
 1292TIP3   OH245092   0.286  -1.333   1.736
 1292TIP3    H145093   0.224  -1.377   1.676
 1292TIP3    H245094   0.257  -1.355   1.824
 1292TIP3   OH245095   1.016  -1.409   2.570
 1292TIP3    H145096   1.065  -1.353   2.506
 1292TIP3    H245097   0.930  -1.421   2.525
 1293TIP3   OH245098   0.658  -2.021   1.501
 1293TIP3    H145099   0.581  -1.970   1.476
 1293TIP3    H245100   0.719  -1.949   1.531
 1293TIP3   OH245101   0.461  -1.322   2.830
 1293TIP3    H145102   0.428  -1.355   2.914
 1293TIP3    H245103   0.428  -1.231   2.828
 1293TIP3   OH245104   0.780  -1.827   1.649
 1293TIP3    H145105   0.859  -1.849   1.703
 1293TIP3    H245106   0.805  -1.742   1.611
 1293TIP3   OH245107  -0.186  -1.388   2.278
 1293TIP3    H145108  -0.138  -1.403   2.195
 1293TIP3    H245109  -0.192  -1.477   2.315
 1293TIP3   OH245110   0.580  -1.216   1.608
 1293TIP3    H145111   0.589  -1.265   1.525
 1293TIP3    H245112   0.541  -1.133   1.578
 1293TIP3   OH245113  -0.479  -1.553   2.813
 1293TIP3    H145114  -0.450  -1.606   2.889
 1293TIP3    H245115  -0.522  -1.618   2.755
 1293TIP3   OH245116   0.227  -1.609   2.999
 1293TIP3    H145117   0.198  -1.630   2.908
 1293TIP3    H245118   0.320  -1.637   2.993
 1293TIP3   OH245119   0.686  -1.064   2.776
 1293TIP3    H145120   0.589  -1.057   2.767
 1293TIP3    H245121   0.699  -1.038   2.868
 1293TIP3   OH245122   1.235  -1.837   1.650
 1293TIP3    H145123   1.184  -1.857   1.569
 1293TIP3    H245124   1.257  -1.745   1.631
 1293TIP3   OH245125   1.283  -1.254   2.932
 1293TIP3    H145126   1.189  -1.233   2.913
 1293TIP3    H245127   1.316  -1.273   2.842
 1294TIP3   OH245128   1.121  -0.947   1.776
 1294TIP3    H145129   1.054  -1.016   1.787
 1294TIP3    H245130   1.117  -0.926   1.682
 1294TIP3   OH245131   0.781  -1.466   2.402
 1294TIP3    H145132   0.688  -1.480   2.376
 1294TIP3    H245133   0.826  -1.536   2.350
 1294TIP3   OH245134  -0.379  -1.498   1.469
 1294TIP3    H145135  -0.327  -1.555   1.525
 1294TIP3    H245136  -0.471  -1.520   1.498
 1294TIP3   OH245137   0.190  -1.237   2.040
 1294TIP3    H145138   0.182  -1.175   1.967
 1294TIP3    H245139   0.130  -1.310   2.016
 1294TIP3   OH245140   0.244  -0.861   2.602
 1294TIP3    H145141   0.298  -0.786   2.569
 1294TIP3    H245142   0.310  -0.909   2.655
 1294TIP3   OH245143   0.587  -1.286   2.560
 1294TIP3    H145144   0.557  -1.316   2.647
 1294TIP3    H245145   0.659  -1.349   2.540
 1294TIP3   OH245146   0.880  -0.829   2.798
 1294TIP3    H145147   0.804  -0.875   2.757
 1294TIP3    H245148   0.889  -0.750   2.741
 1294TIP3   OH245149  -0.339  -2.087   2.776
 1294TIP3    H145150  -0.426  -2.066   2.737
 1294TIP3    H245151  -0.352  -2.181   2.799
 1294TIP3   OH245152   0.940  -1.296   1.652
 1294TIP3    H145153   0.885  -1.357   1.702
 1294TIP3    H245154   1.015  -1.281   1.711
 1294TIP3   OH245155  -0.365  -0.911   2.605
 1294TIP3    H145156  -0.332  -1.002   2.606
 1294TIP3    H245157  -0.329  -0.878   2.688
 1295TIP3   OH245158   0.562  -2.109   2.619
 1295TIP3    H145159   0.621  -2.082   2.691
 1295TIP3    H245160   0.510  -2.181   2.660
 1295TIP3   OH245161   0.635  -2.168   1.733
 1295TIP3    H145162   0.651  -2.104   1.661
 1295TIP3    H245163   0.667  -2.119   1.811
 1295TIP3   OH245164   0.371  -1.972   1.851
 1295TIP3    H145165   0.441  -1.905   1.866
 1295TIP3    H245166   0.331  -1.981   1.939
 1295TIP3   OH245167   0.400  -1.873   2.758
 1295TIP3    H145168   0.408  -1.821   2.840
 1295TIP3    H245169   0.454  -1.950   2.777
 1295TIP3   OH245170   0.427  -2.263   1.941
 1295TIP3    H145171   0.399  -2.193   2.002
 1295TIP3    H245172   0.491  -2.214   1.886
 1295TIP3   OH245173  -0.001  -2.161   1.590
 1295TIP3    H145174  -0.003  -2.072   1.630
 1295TIP3    H245175   0.087  -2.192   1.613
 1295TIP3   OH245176   1.031  -2.073   2.845
 1295TIP3    H145177   0.935  -2.059   2.832
 1295TIP3    H245178   1.055  -2.095   2.754
 1295TIP3   OH245179   0.886  -1.688   2.246
 1295TIP3    H145180   0.803  -1.730   2.219
 1295TIP3    H245181   0.932  -1.761   2.293
 1295TIP3   OH245182  -0.368  -1.850   1.395
 1295TIP3    H145183  -0.343  -1.757   1.397
 1295TIP3    H245184  -0.459  -1.844   1.363
 1295TIP3   OH245185   0.984  -0.795   2.396
 1295TIP3    H145186   0.957  -0.725   2.335
 1295TIP3    H245187   1.079  -0.777   2.405
 1296TIP3   OH245188  -0.428  -0.712   3.031
 1296TIP3    H145189  -0.365  -0.745   3.099
 1296TIP3    H245190  -0.463  -0.797   2.996
 1296TIP3   OH245191   0.038  -0.808   3.208
 1296TIP3    H145192   0.111  -0.868   3.228
 1296TIP3    H245193   0.020  -0.832   3.115
 1296TIP3   OH245194   0.689  -0.977   3.067
 1296TIP3    H145195   0.652  -1.061   3.101
 1296TIP3    H245196   0.760  -0.958   3.131
 1296TIP3   OH245197  -0.433  -1.349   3.143
 1296TIP3    H145198  -0.420  -1.439   3.109
 1296TIP3    H245199  -0.506  -1.319   3.085
 1296TIP3   OH245200   0.229  -1.332   3.075
 1296TIP3    H145201   0.202  -1.298   2.988
 1296TIP3    H245202   0.238  -1.428   3.058
 1296TIP3   OH245203   0.770  -1.369   2.815
 1296TIP3    H145204   0.847  -1.314   2.792
 1296TIP3    H245205   0.698  -1.303   2.811
 1296TIP3   OH245206  -0.344  -1.635   3.058
 1296TIP3    H145207  -0.270  -1.698   3.054
 1296TIP3    H245208  -0.349  -1.618   3.153
 1296TIP3   OH245209   0.024  -1.729   2.791
 1296TIP3    H145210  -0.029  -1.649   2.811
 1296TIP3    H245211   0.085  -1.694   2.724
 1296TIP3   OH245212   0.553  -1.451   3.159
 1296TIP3    H145213   0.641  -1.471   3.125
 1296TIP3    H245214   0.527  -1.537   3.195
 1296TIP3   OH245215   0.082  -1.991   2.914
 1296TIP3    H145216   0.089  -2.059   2.845
 1296TIP3    H245217   0.061  -1.913   2.861
 1297TIP3   OH245218   0.124  -2.149   2.660
 1297TIP3    H145219   0.173  -2.092   2.599
 1297TIP3    H245220   0.032  -2.141   2.626
 1297TIP3   OH245221   0.272  -1.599   2.703
 1297TIP3    H145222   0.352  -1.609   2.650
 1297TIP3    H245223   0.238  -1.514   2.670
 1297TIP3   OH245224   0.726  -1.809   3.178
 1297TIP3    H145225   0.748  -1.902   3.193
 1297TIP3    H245226   0.814  -1.769   3.173
 1297TIP3   OH245227   0.824  -1.529   3.028
 1297TIP3    H145228   0.789  -1.469   2.960
 1297TIP3    H245229   0.913  -1.546   2.991
 1297TIP3   OH245230  -0.097  -1.808   3.092
 1297TIP3    H145231  -0.150  -1.890   3.092
 1297TIP3    H245232  -0.016  -1.838   3.048
 1297TIP3   OH245233   0.188  -2.416   2.697
 1297TIP3    H145234   0.172  -2.321   2.680
 1297TIP3    H245235   0.118  -2.457   2.642
 1297TIP3   OH245236   0.313  -1.958   3.075
 1297TIP3    H145237   0.275  -1.978   3.162
 1297TIP3    H245238   0.234  -1.974   3.018
 1297TIP3   OH245239   0.567  -2.052   2.960
 1297TIP3    H145240   0.478  -2.046   3.000
 1297TIP3    H245241   0.612  -2.115   3.020
 1297TIP3   OH245242   0.753  -2.204   3.134
 1297TIP3    H145243   0.735  -2.298   3.151
 1297TIP3    H245244   0.733  -2.162   3.220
 1297TIP3   OH245245  -0.226  -2.063   3.080
 1297TIP3    H145246  -0.240  -2.128   3.010
 1297TIP3    H245247  -0.256  -2.112   3.159
 1298TIP3   OH245248   0.169  -2.466   2.977
 1298TIP3    H145249   0.231  -2.540   2.981
 1298TIP3    H245250   0.165  -2.450   2.881
 1298TIP3   OH245251   0.263  -2.280   3.164
 1298TIP3    H145252   0.235  -2.338   3.091
 1298TIP3    H245253   0.196  -2.210   3.163
 1298TIP3   OH245254  -0.511  -0.785   2.122
 1298TIP3    H145255  -0.525  -0.881   2.120
 1298TIP3    H245256  -0.459  -0.773   2.201
 1298TIP3   OH245257   1.257  -0.687   2.437
 1298TIP3    H145258   1.273  -0.690   2.533
 1298TIP3    H245259   1.342  -0.654   2.404
 1298TIP3   OH245260   1.247  -0.742   2.725
 1298TIP3    H145261   1.193  -0.815   2.689
 1298TIP3    H245262   1.300  -0.791   2.790
 1298TIP3   OH245263   1.046  -1.200   3.155
 1298TIP3    H145264   0.957  -1.192   3.194
 1298TIP3    H245265   1.090  -1.119   3.185
 1298TIP3   OH245266   1.238  -1.510   1.894
 1298TIP3    H145267   1.159  -1.546   1.937
 1298TIP3    H245268   1.292  -1.477   1.968
 1298TIP3   OH245269   1.207  -1.263   2.427
 1298TIP3    H145270   1.265  -1.311   2.365
 1298TIP3    H245271   1.212  -1.173   2.392
 1298TIP3   OH245272   1.076  -0.973   2.649
 1298TIP3    H145273   1.002  -0.931   2.696
 1298TIP3    H245274   1.031  -1.005   2.568
 1298TIP3   OH245275   1.092  -1.813   1.398
 1298TIP3    H145276   1.110  -1.749   1.328
 1298TIP3    H245277   1.066  -1.893   1.349
 1299TIP3   OH245278   1.023  -1.686   1.995
 1299TIP3    H145279   1.015  -1.781   1.979
 1299TIP3    H245280   0.987  -1.677   2.085
 1299TIP3   OH245281  -0.493  -1.476   2.375
 1299TIP3    H145282  -0.471  -1.475   2.279
 1299TIP3    H245283  -0.405  -1.502   2.412
 1299TIP3   OH245284   1.085  -1.507   2.921
 1299TIP3    H145285   1.159  -1.568   2.939
 1299TIP3    H245286   1.130  -1.424   2.902
 1299TIP3   OH245287   1.241  -1.697   3.042
 1299TIP3    H145288   1.161  -1.749   3.020
 1299TIP3    H245289   1.311  -1.765   3.040
 1299TIP3   OH245290   1.018  -2.094   1.325
 1299TIP3    H145291   1.087  -2.128   1.384
 1299TIP3    H245292   0.940  -2.141   1.354
 1299TIP3   OH245293   1.002  -1.941   1.819
 1299TIP3    H145294   1.032  -2.034   1.825
 1299TIP3    H245295   1.080  -1.899   1.780
 1299TIP3   OH245296   1.035  -1.892   2.368
 1299TIP3    H145297   1.131  -1.879   2.366
 1299TIP3    H245298   1.019  -1.887   2.464
 1299TIP3   OH245299   1.052  -1.820   2.650
 1299TIP3    H145300   0.966  -1.783   2.677
 1299TIP3    H245301   1.103  -1.739   2.629
 1299TIP3   OH245302  -0.500  -1.943   3.024
 1299TIP3    H145303  -0.407  -1.969   3.013
 1299TIP3    H245304  -0.544  -2.030   3.024
 1299TIP3   OH245305   1.309  -2.404   3.180
 1299TIP3    H145306   1.348  -2.473   3.123
 1299TIP3    H245307   1.310  -2.326   3.120
 1300TIP3   OH245308   1.059  -2.225   1.823
 1300TIP3    H145309   1.069  -2.257   1.915
 1300TIP3    H245310   0.981  -2.276   1.794
 1300TIP3   OH245311  -0.567  -1.839   2.395
 1300TIP3    H145312  -0.501  -1.864   2.327
 1300TIP3    H245313  -0.521  -1.764   2.434
 1300TIP3   OH245314   1.245  -2.200   3.004
 1300TIP3    H145315   1.158  -2.157   3.010
 1300TIP3    H245316   1.231  -2.254   2.924
 1300TIP3   OH245317   1.252  -2.181   1.490
 1300TIP3    H145318   1.283  -2.256   1.436
 1300TIP3    H245319   1.331  -2.125   1.492
 1300TIP3   OH245320  -0.521  -2.203   1.810
 1300TIP3    H145321  -0.615  -2.196   1.786
 1300TIP3    H245322  -0.478  -2.145   1.744
 1300TIP3   OH245323   1.036  -0.655   1.966
 1300TIP3    H145324   1.013  -0.729   1.907
 1300TIP3    H245325   0.980  -0.674   2.042
 1300TIP3   OH245326  -0.513  -2.323   2.631
 1300TIP3    H145327  -0.594  -2.342   2.680
 1300TIP3    H245328  -0.547  -2.270   2.556
 1300TIP3   OH245329  -0.316  -1.005   3.093
 1300TIP3    H145330  -0.381  -1.019   3.023
 1300TIP3    H245331  -0.368  -1.015   3.173
 1300TIP3   OH245332  -0.032  -0.909   2.661
 1300TIP3    H145333  -0.060  -0.825   2.620
 1300TIP3    H245334   0.064  -0.904   2.641
 1300TIP3   OH245335   0.418  -0.780   2.960
 1300TIP3    H145336   0.437  -0.800   3.053
 1300TIP3    H245337   0.500  -0.736   2.931
 1301TIP3   OH245338   0.647  -0.634   2.883
 1301TIP3    H145339   0.715  -0.698   2.856
 1301TIP3    H245340   0.679  -0.607   2.971
 1301TIP3   OH245341   1.132  -2.376   2.802
 1301TIP3    H145342   1.052  -2.355   2.751
 1301TIP3    H245343   1.153  -2.466   2.769
 1301TIP3   OH245344  -0.290  -0.615   2.695
 1301TIP3    H145345  -0.349  -0.556   2.645
 1301TIP3    H245346  -0.333  -0.616   2.781
 1301TIP3   OH245347  -0.038  -0.636   2.551
 1301TIP3    H145348  -0.127  -0.619   2.589
 1301TIP3    H245349  -0.037  -0.578   2.473
 1301TIP3   OH245350   0.420  -0.642   2.502
 1301TIP3    H145351   0.391  -0.602   2.417
 1301TIP3    H245352   0.439  -0.562   2.553
 1301TIP3   OH245353   0.659  -0.766   2.598
 1301TIP3    H145354   0.577  -0.737   2.555
 1301TIP3    H245355   0.716  -0.690   2.583
 1301TIP3   OH245356   0.920  -0.596   2.614
 1301TIP3    H145357   0.911  -0.503   2.586
 1301TIP3    H245358   0.940  -0.639   2.529
 1301TIP3   OH245359  -0.339  -0.715   2.388
 1301TIP3    H145360  -0.340  -0.772   2.468
 1301TIP3    H245361  -0.267  -0.760   2.338
 1301TIP3   OH245362  -0.144  -0.857   2.262
 1301TIP3    H145363  -0.154  -0.954   2.267
 1301TIP3    H245364  -0.047  -0.846   2.269
 1301TIP3   OH245365   0.133  -0.818   2.314
 1301TIP3    H145366   0.159  -0.909   2.291
 1301TIP3    H245367   0.148  -0.817   2.410
 1302TIP3   OH245368   0.472  -2.223   2.248
 1302TIP3    H145369   0.401  -2.287   2.265
 1302TIP3    H245370   0.528  -2.269   2.184
 1302TIP3   OH245371   0.970  -2.425   2.294
 1302TIP3    H145372   1.045  -2.380   2.252
 1302TIP3    H245373   0.894  -2.395   2.240
 1302TIP3   OH245374   1.178  -2.316   2.082
 1302TIP3    H145375   1.249  -2.356   2.029
 1302TIP3    H245376   1.209  -2.223   2.090
 1302TIP3   OH245377  -0.275  -2.353   1.999
 1302TIP3    H145378  -0.367  -2.370   1.973
 1302TIP3    H245379  -0.243  -2.443   2.016
 1302TIP3   OH245380  -0.409  -2.407   1.589
 1302TIP3    H145381  -0.358  -2.341   1.539
 1302TIP3    H245382  -0.449  -2.352   1.658
 1302TIP3   OH245383   0.166  -2.388   1.986
 1302TIP3    H145384   0.252  -2.343   1.982
 1302TIP3    H245385   0.143  -2.376   2.079
 1302TIP3   OH245386   0.719  -2.369   2.134
 1302TIP3    H145387   0.741  -2.384   2.041
 1302TIP3    H245388   0.676  -2.454   2.158
 1302TIP3   OH245389   0.830  -2.371   1.732
 1302TIP3    H145390   0.750  -2.316   1.722
 1302TIP3    H245391   0.792  -2.459   1.746
 1302TIP3   OH245392  -0.243  -2.230   1.436
 1302TIP3    H145393  -0.176  -2.269   1.378
 1302TIP3    H245394  -0.186  -2.181   1.499
 1302TIP3   OH245395   0.320  -2.209   1.653
 1302TIP3    H145396   0.301  -2.267   1.729
 1302TIP3    H245397   0.306  -2.122   1.695
 1303TIP3   OH245398  -0.314  -2.333   2.961
 1303TIP3    H145399  -0.349  -2.417   2.995
 1303TIP3    H245400  -0.219  -2.343   2.980
 1303TIP3   OH245401  -0.070  -2.392   3.133
 1303TIP3    H145402   0.012  -2.426   3.090
 1303TIP3    H245403  -0.106  -2.473   3.171
 1303TIP3   OH245404   0.740  -2.484   3.147
 1303TIP3    H145405   0.744  -2.524   3.236
 1303TIP3    H245406   0.833  -2.486   3.120
 1303TIP3   OH245407   1.077  -0.848   3.016
 1303TIP3    H145408   1.004  -0.868   2.954
 1303TIP3    H245409   1.058  -0.754   3.036
 1303TIP3   OH245410   2.496  -1.478   2.030
 1303TIP3    H145411   2.497  -1.381   2.035
 1303TIP3    H245412   2.424  -1.494   1.967
 1303TIP3   OH245413   2.376  -1.537   2.337
 1303TIP3    H145414   2.382  -1.591   2.418
 1303TIP3    H245415   2.357  -1.604   2.270
 1303TIP3   OH245416   1.634  -1.573   2.498
 1303TIP3    H145417   1.626  -1.649   2.560
 1303TIP3    H245418   1.700  -1.519   2.544
 1303TIP3   OH245419   2.755  -1.260   2.167
 1303TIP3    H145420   2.714  -1.332   2.216
 1303TIP3    H245421   2.774  -1.197   2.238
 1303TIP3   OH245422   1.693  -1.121   2.351
 1303TIP3    H145423   1.671  -1.210   2.318
 1303TIP3    H245424   1.787  -1.133   2.374
 1303TIP3   OH245425   1.386  -1.772   1.903
 1303TIP3    H145426   1.350  -1.681   1.906
 1303TIP3    H245427   1.321  -1.815   1.846
 1304TIP3   OH245428   1.461  -1.522   2.084
 1304TIP3    H145429   1.474  -1.611   2.122
 1304TIP3    H245430   1.539  -1.512   2.029
 1304TIP3   OH245431   2.461  -0.725   2.227
 1304TIP3    H145432   2.518  -0.799   2.199
 1304TIP3    H245433   2.427  -0.758   2.311
 1304TIP3   OH245434   2.233  -1.286   2.389
 1304TIP3    H145435   2.267  -1.362   2.338
 1304TIP3    H245436   2.311  -1.270   2.445
 1304TIP3   OH245437   3.096  -2.133   2.455
 1304TIP3    H145438   3.119  -2.078   2.531
 1304TIP3    H245439   3.162  -2.102   2.390
 1304TIP3   OH245440   2.561  -1.850   2.443
 1304TIP3    H145441   2.573  -1.946   2.454
 1304TIP3    H245442   2.549  -1.844   2.346
 1304TIP3   OH245443   1.858  -2.050   2.152
 1304TIP3    H145444   1.865  -1.966   2.105
 1304TIP3    H245445   1.824  -2.107   2.080
 1304TIP3   OH245446   2.642  -2.032   1.986
 1304TIP3    H145447   2.701  -2.076   2.051
 1304TIP3    H245448   2.708  -1.990   1.929
 1304TIP3   OH245449   1.530  -1.774   2.203
 1304TIP3    H145450   1.587  -1.829   2.259
 1304TIP3    H245451   1.531  -1.824   2.119
 1304TIP3   OH245452   2.064  -1.627   2.115
 1304TIP3    H145453   2.131  -1.674   2.169
 1304TIP3    H245454   1.996  -1.696   2.105
 1304TIP3   OH245455   3.174  -1.989   2.707
 1304TIP3    H145456   3.104  -1.926   2.682
 1304TIP3    H245457   3.145  -2.010   2.797
 1305TIP3   OH245458   1.739  -2.172   2.568
 1305TIP3    H145459   1.696  -2.123   2.496
 1305TIP3    H245460   1.673  -2.159   2.639
 1305TIP3   OH245461   2.479  -1.198   1.897
 1305TIP3    H145462   2.464  -1.210   1.801
 1305TIP3    H245463   2.437  -1.111   1.912
 1305TIP3   OH245464   2.030  -1.383   2.579
 1305TIP3    H145465   1.957  -1.324   2.607
 1305TIP3    H245466   2.093  -1.320   2.539
 1305TIP3   OH245467   2.829  -2.111   2.188
 1305TIP3    H145468   2.785  -2.170   2.250
 1305TIP3    H245469   2.877  -2.050   2.247
 1305TIP3   OH245470   1.697  -1.969   2.363
 1305TIP3    H145471   1.762  -1.911   2.410
 1305TIP3    H245472   1.755  -2.006   2.293
 1305TIP3   OH245473   1.829  -1.198   2.652
 1305TIP3    H145474   1.826  -1.105   2.622
 1305TIP3    H245475   1.743  -1.204   2.697
 1305TIP3   OH245476   2.807  -1.080   2.417
 1305TIP3    H145477   2.709  -1.072   2.422
 1305TIP3    H245478   2.830  -0.993   2.381
 1305TIP3   OH245479   2.840  -2.188   2.573
 1305TIP3    H145480   2.761  -2.152   2.527
 1305TIP3    H245481   2.910  -2.174   2.507
 1305TIP3   OH245482   2.152  -2.423   2.278
 1305TIP3    H145483   2.129  -2.518   2.272
 1305TIP3    H245484   2.070  -2.385   2.314
 1305TIP3   OH245485   2.655  -0.890   2.095
 1305TIP3    H145486   2.681  -0.967   2.043
 1305TIP3    H245487   2.663  -0.818   2.032
 1306TIP3   OH245488   2.796  -1.093   1.925
 1306TIP3    H145489   2.750  -1.140   1.854
 1306TIP3    H245490   2.783  -1.155   1.999
 1306TIP3   OH245491   2.935  -1.219   2.786
 1306TIP3    H145492   2.924  -1.285   2.715
 1306TIP3    H245493   2.947  -1.136   2.736
 1306TIP3   OH245494   2.346  -1.523   1.753
 1306TIP3    H145495   2.294  -1.457   1.704
 1306TIP3    H245496   2.426  -1.525   1.697
 1306TIP3   OH245497   2.391  -1.732   1.484
 1306TIP3    H145498   2.459  -1.673   1.519
 1306TIP3    H245499   2.431  -1.758   1.401
 1306TIP3   OH245500   3.114  -1.600   2.578
 1306TIP3    H145501   3.039  -1.538   2.589
 1306TIP3    H245502   3.157  -1.563   2.498
 1306TIP3   OH245503   2.717  -1.526   1.867
 1306TIP3    H145504   2.646  -1.506   1.932
 1306TIP3    H245505   2.771  -1.589   1.918
 1306TIP3   OH245506   2.697  -1.676   2.747
 1306TIP3    H145507   2.701  -1.595   2.801
 1306TIP3    H245508   2.631  -1.647   2.681
 1306TIP3   OH245509   2.005  -1.115   2.319
 1306TIP3    H145510   2.000  -1.136   2.225
 1306TIP3    H245511   2.087  -1.159   2.347
 1306TIP3   OH245512   1.935  -1.566   2.386
 1306TIP3    H145513   2.000  -1.556   2.316
 1306TIP3    H245514   1.969  -1.505   2.454
 1306TIP3   OH245515   2.529  -1.021   2.448
 1306TIP3    H145516   2.527  -0.953   2.518
 1306TIP3    H245517   2.502  -1.102   2.495
 1307TIP3   OH245518   2.015  -1.138   2.872
 1307TIP3    H145519   1.964  -1.073   2.923
 1307TIP3    H245520   1.950  -1.165   2.805
 1307TIP3   OH245521   2.606  -1.586   1.614
 1307TIP3    H145522   2.658  -1.552   1.689
 1307TIP3    H245523   2.646  -1.536   1.538
 1307TIP3   OH245524   1.708  -1.498   2.783
 1307TIP3    H145525   1.713  -1.442   2.863
 1307TIP3    H245526   1.612  -1.513   2.777
 1307TIP3   OH245527   2.359  -0.924   1.967
 1307TIP3    H145528   2.399  -0.884   2.044
 1307TIP3    H245529   2.312  -0.849   1.927
 1307TIP3   OH245530   1.825  -0.921   2.955
 1307TIP3    H145531   1.813  -0.918   2.859
 1307TIP3    H245532   1.737  -0.947   2.988
 1307TIP3   OH245533   2.953  -2.411   1.561
 1307TIP3    H145534   2.864  -2.402   1.598
 1307TIP3    H245535   2.986  -2.320   1.565
 1307TIP3   OH245536   3.063  -0.989   1.462
 1307TIP3    H145537   3.092  -0.896   1.461
 1307TIP3    H245538   3.146  -1.039   1.456
 1307TIP3   OH245539   1.372  -1.309   2.667
 1307TIP3    H145540   1.326  -1.307   2.581
 1307TIP3    H245541   1.383  -1.405   2.682
 1307TIP3   OH245542   1.378  -1.014   2.359
 1307TIP3    H145543   1.469  -1.045   2.366
 1307TIP3    H245544   1.370  -0.957   2.437
 1307TIP3   OH245545   3.213  -0.957   2.934
 1307TIP3    H145546   3.203  -1.053   2.922
 1307TIP3    H245547   3.124  -0.932   2.966
 1308TIP3   OH245548   2.279  -1.033   2.816
 1308TIP3    H145549   2.286  -0.952   2.870
 1308TIP3    H245550   2.189  -1.064   2.840
 1308TIP3   OH245551   2.299  -0.649   1.827
 1308TIP3    H145552   2.298  -0.657   1.729
 1308TIP3    H245553   2.325  -0.557   1.840
 1308TIP3   OH245554   1.642  -0.692   1.980
 1308TIP3    H145555   1.687  -0.740   2.052
 1308TIP3    H245556   1.590  -0.769   1.945
 1308TIP3   OH245557   2.648  -0.725   1.492
 1308TIP3    H145558   2.678  -0.800   1.437
 1308TIP3    H245559   2.633  -0.762   1.578
 1308TIP3   OH245560   2.598  -0.741   1.845
 1308TIP3    H145561   2.515  -0.708   1.806
 1308TIP3    H245562   2.593  -0.834   1.824
 1308TIP3   OH245563   2.892  -1.821   2.979
 1308TIP3    H145564   2.845  -1.787   2.902
 1308TIP3    H245565   2.908  -1.914   2.953
 1308TIP3   OH245566   1.590  -1.155   2.790
 1308TIP3    H145567   1.616  -1.201   2.872
 1308TIP3    H245568   1.515  -1.209   2.758
 1308TIP3   OH245569   1.910  -2.307   2.368
 1308TIP3    H145570   1.828  -2.315   2.316
 1308TIP3    H245571   1.884  -2.236   2.428
 1308TIP3   OH245572   2.346  -2.351   2.732
 1308TIP3    H145573   2.398  -2.403   2.796
 1308TIP3    H245574   2.256  -2.384   2.745
 1308TIP3   OH245575   2.657  -1.975   2.778
 1308TIP3    H145576   2.609  -1.992   2.861
 1308TIP3    H245577   2.659  -1.878   2.772
 1309TIP3   OH245578   2.773  -1.493   1.411
 1309TIP3    H145579   2.733  -1.492   1.322
 1309TIP3    H245580   2.855  -1.444   1.397
 1309TIP3   OH245581   2.330  -2.104   1.460
 1309TIP3    H145582   2.277  -2.114   1.540
 1309TIP3    H245583   2.284  -2.166   1.400
 1309TIP3   OH245584   1.895  -1.830   2.508
 1309TIP3    H145585   1.839  -1.821   2.587
 1309TIP3    H245586   1.901  -1.737   2.476
 1309TIP3   OH245587   1.882  -1.793   1.972
 1309TIP3    H145588   1.789  -1.821   1.968
 1309TIP3    H245589   1.918  -1.843   1.895
 1309TIP3   OH245590   2.451  -1.760   1.875
 1309TIP3    H145591   2.407  -1.683   1.833
 1309TIP3    H245592   2.518  -1.781   1.808
 1309TIP3   OH245593   2.368  -1.745   3.011
 1309TIP3    H145594   2.319  -1.821   3.046
 1309TIP3    H245595   2.457  -1.758   3.050
 1309TIP3   OH245596   2.532  -1.825   2.153
 1309TIP3    H145597   2.505  -1.769   2.077
 1309TIP3    H245598   2.555  -1.907   2.105
 1309TIP3   OH245599   1.629  -1.812   2.691
 1309TIP3    H145600   1.658  -1.782   2.778
 1309TIP3    H245601   1.594  -1.900   2.711
 1309TIP3   OH245602   1.972  -2.055   1.350
 1309TIP3    H145603   1.932  -2.093   1.431
 1309TIP3    H245604   1.894  -2.035   1.297
 1309TIP3   OH245605   1.312  -2.069   2.059
 1309TIP3    H145606   1.375  -2.072   2.133
 1309TIP3    H245607   1.363  -2.105   1.984
 1310TIP3   OH245608   1.470  -2.017   1.632
 1310TIP3    H145609   1.521  -1.972   1.561
 1310TIP3    H245610   1.399  -1.952   1.646
 1310TIP3   OH245611   2.445  -1.658   2.597
 1310TIP3    H145612   2.490  -1.731   2.548
 1310TIP3    H245613   2.413  -1.705   2.675
 1310TIP3   OH245614   2.166  -2.062   2.100
 1310TIP3    H145615   2.072  -2.072   2.122
 1310TIP3    H245616   2.208  -2.083   2.185
 1310TIP3   OH245617   1.624  -1.938   1.965
 1310TIP3    H145618   1.541  -1.910   1.923
 1310TIP3    H245619   1.648  -2.018   1.916
 1310TIP3   OH245620   1.990  -1.892   1.740
 1310TIP3    H145621   2.086  -1.902   1.731
 1310TIP3    H245622   1.962  -1.856   1.654
 1310TIP3   OH245623   2.605  -2.148   2.399
 1310TIP3    H145624   2.544  -2.148   2.477
 1310TIP3    H245625   2.545  -2.182   2.331
 1310TIP3   OH245626   1.844  -1.784   1.516
 1310TIP3    H145627   1.772  -1.805   1.455
 1310TIP3    H245628   1.916  -1.762   1.454
 1310TIP3   OH245629   2.905  -0.571   3.069
 1310TIP3    H145630   2.930  -0.526   2.987
 1310TIP3    H245631   2.974  -0.542   3.130
 1310TIP3   OH245632   1.697  -1.309   3.010
 1310TIP3    H145633   1.764  -1.300   3.081
 1310TIP3    H245634   1.616  -1.312   3.065
 1310TIP3   OH245635   2.259  -1.799   2.274
 1310TIP3    H145636   2.332  -1.844   2.230
 1310TIP3    H245637   2.242  -1.859   2.350
 1311TIP3   OH245638   1.801  -2.167   1.903
 1311TIP3    H145639   1.741  -2.243   1.913
 1311TIP3    H245640   1.877  -2.207   1.858
 1311TIP3   OH245641   2.168  -1.957   2.501
 1311TIP3    H145642   2.088  -1.904   2.510
 1311TIP3    H245643   2.217  -1.937   2.584
 1311TIP3   OH245644   2.170  -1.320   1.686
 1311TIP3    H145645   2.090  -1.363   1.652
 1311TIP3    H245646   2.152  -1.307   1.780
 1311TIP3   OH245647   2.902  -1.408   2.569
 1311TIP3    H145648   2.950  -1.353   2.503
 1311TIP3    H245649   2.816  -1.420   2.526
 1311TIP3   OH245650   2.595  -2.039   1.475
 1311TIP3    H145651   2.497  -2.042   1.468
 1311TIP3    H245652   2.610  -1.964   1.536
 1311TIP3   OH245653   2.343  -1.322   2.828
 1311TIP3    H145654   2.315  -1.356   2.914
 1311TIP3    H245655   2.312  -1.231   2.830
 1311TIP3   OH245656   2.662  -1.858   1.683
 1311TIP3    H145657   2.753  -1.871   1.717
 1311TIP3    H245658   2.666  -1.770   1.640
 1311TIP3   OH245659   1.709  -1.393   2.255
 1311TIP3    H145660   1.790  -1.408   2.206
 1311TIP3    H245661   1.703  -1.474   2.309
 1311TIP3   OH245662   2.428  -1.195   1.615
 1311TIP3    H145663   2.391  -1.105   1.611
 1311TIP3    H245664   2.352  -1.246   1.581
 1311TIP3   OH245665   1.420  -1.558   2.805
 1311TIP3    H145666   1.434  -1.602   2.891
 1311TIP3    H245667   1.357  -1.617   2.760
 1312TIP3   OH245668   2.117  -1.605   3.002
 1312TIP3    H145669   2.083  -1.633   2.915
 1312TIP3    H245670   2.209  -1.635   2.996
 1312TIP3   OH245671   2.570  -1.060   2.775
 1312TIP3    H145672   2.473  -1.055   2.770
 1312TIP3    H245673   2.586  -1.039   2.868
 1312TIP3   OH245674   3.123  -1.861   1.653
 1312TIP3    H145675   3.068  -1.878   1.575
 1312TIP3    H245676   3.136  -1.765   1.640
 1312TIP3   OH245677   3.168  -1.254   2.932
 1312TIP3    H145678   3.073  -1.234   2.916
 1312TIP3    H245679   3.199  -1.272   2.842
 1312TIP3   OH245680   2.668  -1.464   2.400
 1312TIP3    H145681   2.575  -1.479   2.377
 1312TIP3    H245682   2.711  -1.537   2.351
 1312TIP3   OH245683   1.929  -1.060   2.019
 1312TIP3    H145684   1.974  -0.980   1.987
 1312TIP3    H245685   1.845  -1.051   1.970
 1312TIP3   OH245686   1.520  -1.571   1.485
 1312TIP3    H145687   1.586  -1.505   1.512
 1312TIP3    H245688   1.439  -1.521   1.497
 1312TIP3   OH245689   2.066  -1.326   1.964
 1312TIP3    H145690   2.092  -1.232   1.962
 1312TIP3    H245691   2.000  -1.320   2.033
 1312TIP3   OH245692   2.131  -0.862   2.601
 1312TIP3    H145693   2.186  -0.787   2.574
 1312TIP3    H245694   2.191  -0.910   2.659
 1312TIP3   OH245695   1.968  -0.769   1.933
 1312TIP3    H145696   1.875  -0.755   1.914
 1312TIP3    H245697   2.000  -0.678   1.946
 1313TIP3   OH245698   2.471  -1.287   2.559
 1313TIP3    H145699   2.441  -1.314   2.648
 1313TIP3    H245700   2.545  -1.347   2.543
 1313TIP3   OH245701   2.700  -1.161   1.453
 1313TIP3    H145702   2.724  -1.210   1.533
 1313TIP3    H245703   2.603  -1.168   1.456
 1313TIP3   OH245704   2.767  -0.831   2.796
 1313TIP3    H145705   2.690  -0.878   2.758
 1313TIP3    H245706   2.773  -0.751   2.743
 1313TIP3   OH245707   3.165  -0.727   1.509
 1313TIP3    H145708   3.229  -0.663   1.475
 1313TIP3    H245709   3.086  -0.670   1.512
 1313TIP3   OH245710   1.550  -2.092   2.766
 1313TIP3    H145711   1.459  -2.066   2.741
 1313TIP3    H245712   1.535  -2.179   2.807
 1313TIP3   OH245713   2.786  -1.291   1.692
 1313TIP3    H145714   2.763  -1.367   1.748
 1313TIP3    H245715   2.883  -1.287   1.699
 1313TIP3   OH245716   1.529  -0.915   2.604
 1313TIP3    H145717   1.555  -1.007   2.620
 1313TIP3    H245718   1.548  -0.876   2.690
 1313TIP3   OH245719   2.122  -1.049   1.306
 1313TIP3    H145720   2.166  -1.113   1.246
 1313TIP3    H245721   2.058  -1.105   1.352
 1313TIP3   OH245722   1.973  -1.086   1.661
 1313TIP3    H145723   2.033  -1.153   1.629
 1313TIP3    H245724   1.969  -1.024   1.587
 1313TIP3   OH245725   1.687  -1.356   1.652
 1313TIP3    H145726   1.597  -1.322   1.665
 1313TIP3    H245727   1.716  -1.286   1.591
 1314TIP3   OH245728   2.449  -2.107   2.622
 1314TIP3    H145729   2.513  -2.080   2.690
 1314TIP3    H245730   2.401  -2.180   2.665
 1314TIP3   OH245731   2.510  -2.164   1.748
 1314TIP3    H145732   2.525  -2.112   1.668
 1314TIP3    H245733   2.557  -2.112   1.815
 1314TIP3   OH245734   2.297  -0.944   1.643
 1314TIP3    H145735   2.209  -0.906   1.652
 1314TIP3    H245736   2.333  -0.887   1.572
 1314TIP3   OH245737   2.252  -1.965   1.842
 1314TIP3    H145738   2.329  -1.906   1.855
 1314TIP3    H245739   2.224  -1.982   1.934
 1314TIP3   OH245740   2.289  -1.874   2.757
 1314TIP3    H145741   2.294  -1.823   2.840
 1314TIP3    H245742   2.343  -1.951   2.779
 1314TIP3   OH245743   2.311  -2.264   1.936
 1314TIP3    H145744   2.292  -2.194   2.002
 1314TIP3    H245745   2.383  -2.222   1.885
 1314TIP3   OH245746   2.009  -0.780   1.608
 1314TIP3    H145747   2.063  -0.703   1.590
 1314TIP3    H245748   2.003  -0.784   1.704
 1314TIP3   OH245749   1.883  -2.165   1.589
 1314TIP3    H145750   1.882  -2.089   1.649
 1314TIP3    H245751   1.965  -2.210   1.615
 1314TIP3   OH245752   2.932  -2.065   2.846
 1314TIP3    H145753   2.838  -2.084   2.850
 1314TIP3    H245754   2.953  -2.111   2.764
 1314TIP3   OH245755   2.768  -1.690   2.247
 1314TIP3    H145756   2.684  -1.734   2.223
 1314TIP3    H245757   2.816  -1.760   2.296
 1315TIP3   OH245758   1.533  -1.855   1.415
 1315TIP3    H145759   1.542  -1.759   1.426
 1315TIP3    H245760   1.467  -1.860   1.343
 1315TIP3   OH245761   2.871  -0.804   2.382
 1315TIP3    H145762   2.852  -0.719   2.338
 1315TIP3    H245763   2.960  -0.787   2.416
 1315TIP3   OH245764   1.632  -2.353   2.286
 1315TIP3    H145765   1.613  -2.355   2.190
 1315TIP3    H245766   1.597  -2.439   2.316
 1315TIP3   OH245767   1.532  -0.939   1.889
 1315TIP3    H145768   1.437  -0.959   1.888
 1315TIP3    H245769   1.557  -0.966   1.799
 1315TIP3   OH245770   1.461  -0.712   3.027
 1315TIP3    H145771   1.518  -0.740   3.101
 1315TIP3    H245772   1.421  -0.798   3.000
 1315TIP3   OH245773   1.929  -0.806   3.206
 1315TIP3    H145774   1.998  -0.870   3.228
 1315TIP3    H245775   1.906  -0.833   3.116
 1315TIP3   OH245776   2.341  -0.883   1.346
 1315TIP3    H145777   2.259  -0.936   1.332
 1315TIP3    H245778   2.397  -0.926   1.278
 1315TIP3   OH245779   2.579  -0.980   3.063
 1315TIP3    H145780   2.538  -1.060   3.102
 1315TIP3    H245781   2.646  -0.957   3.130
 1315TIP3   OH245782   2.801  -0.894   1.347
 1315TIP3    H145783   2.827  -0.978   1.386
 1315TIP3    H245784   2.868  -0.875   1.280
 1315TIP3   OH245785   1.456  -1.349   3.140
 1315TIP3    H145786   1.464  -1.440   3.107
 1315TIP3    H245787   1.378  -1.319   3.089
 1316TIP3   OH245788   1.935  -1.309   1.369
 1316TIP3    H145789   1.871  -1.379   1.381
 1316TIP3    H245790   1.945  -1.307   1.273
 1316TIP3   OH245791   2.119  -1.330   3.074
 1316TIP3    H145792   2.087  -1.298   2.988
 1316TIP3    H245793   2.126  -1.427   3.060
 1316TIP3   OH245794   2.655  -1.369   2.812
 1316TIP3    H145795   2.733  -1.313   2.796
 1316TIP3    H245796   2.585  -1.303   2.813
 1316TIP3   OH245797   1.542  -1.635   3.057
 1316TIP3    H145798   1.615  -1.700   3.058
 1316TIP3    H245799   1.536  -1.614   3.152
 1316TIP3   OH245800   1.984  -1.536   1.630
 1316TIP3    H145801   1.892  -1.560   1.613
 1316TIP3    H245802   2.019  -1.550   1.539
 1316TIP3   OH245803   1.906  -1.724   2.799
 1316TIP3    H145804   1.854  -1.645   2.821
 1316TIP3    H245805   1.973  -1.687   2.740
 1316TIP3   OH245806   2.078  -1.693   1.388
 1316TIP3    H145807   2.073  -1.669   1.293
 1316TIP3    H245808   2.174  -1.692   1.402
 1316TIP3   OH245809   2.438  -1.452   3.155
 1316TIP3    H145810   2.529  -1.471   3.127
 1316TIP3    H245811   2.412  -1.536   3.196
 1316TIP3   OH245812   3.045  -1.446   1.328
 1316TIP3    H145813   3.011  -1.483   1.245
 1316TIP3    H245814   3.023  -1.351   1.315
 1316TIP3   OH245815   1.967  -1.993   2.915
 1316TIP3    H145816   1.973  -2.059   2.844
 1316TIP3    H245817   1.945  -1.913   2.864
 1317TIP3   OH245818   2.000  -2.146   2.660
 1317TIP3    H145819   2.051  -2.095   2.594
 1317TIP3    H245820   1.909  -2.144   2.624
 1317TIP3   OH245821   2.153  -1.602   2.699
 1317TIP3    H145822   2.238  -1.612   2.654
 1317TIP3    H245823   2.125  -1.514   2.670
 1317TIP3   OH245824   2.614  -1.810   3.179
 1317TIP3    H145825   2.636  -1.903   3.191
 1317TIP3    H245826   2.702  -1.770   3.173
 1317TIP3   OH245827   2.709  -1.529   3.027
 1317TIP3    H145828   2.677  -1.468   2.958
 1317TIP3    H245829   2.798  -1.550   2.991
 1317TIP3   OH245830   1.788  -1.809   3.095
 1317TIP3    H145831   1.734  -1.890   3.095
 1317TIP3    H245832   1.869  -1.839   3.050
 1317TIP3   OH245833   2.072  -2.414   2.696
 1317TIP3    H145834   2.055  -2.319   2.679
 1317TIP3    H245835   2.002  -2.455   2.641
 1317TIP3   OH245836   2.198  -1.956   3.075
 1317TIP3    H145837   2.163  -1.978   3.163
 1317TIP3    H245838   2.118  -1.976   3.020
 1317TIP3   OH245839   2.452  -2.052   2.961
 1317TIP3    H145840   2.364  -2.048   3.003
 1317TIP3    H245841   2.500  -2.114   3.020
 1317TIP3   OH245842   2.629  -2.201   3.132
 1317TIP3    H145843   2.626  -2.297   3.148
 1317TIP3    H245844   2.622  -2.162   3.221
 1317TIP3   OH245845   1.656  -2.063   3.078
 1317TIP3    H145846   1.645  -2.133   3.012
 1317TIP3    H245847   1.631  -2.110   3.160
 1318TIP3   OH245848   2.056  -2.466   2.977
 1318TIP3    H145849   2.117  -2.541   2.981
 1318TIP3    H245850   2.052  -2.450   2.881
 1318TIP3   OH245851   2.149  -2.280   3.164
 1318TIP3    H145852   2.119  -2.338   3.091
 1318TIP3    H245853   2.081  -2.210   3.164
 1318TIP3   OH245854   1.343  -0.615   1.915
 1318TIP3    H145855   1.262  -0.646   1.871
 1318TIP3    H245856   1.347  -0.682   1.988
 1318TIP3   OH245857   1.385  -0.800   2.134
 1318TIP3    H145858   1.359  -0.892   2.148
 1318TIP3    H245859   1.415  -0.778   2.223
 1318TIP3   OH245860   3.145  -0.682   2.435
 1318TIP3    H145861   3.154  -0.691   2.531
 1318TIP3    H245862   3.235  -0.661   2.408
 1318TIP3   OH245863   3.132  -0.742   2.722
 1318TIP3    H145864   3.078  -0.817   2.692
 1318TIP3    H245865   3.185  -0.786   2.790
 1318TIP3   OH245866   2.931  -1.199   3.153
 1318TIP3    H145867   2.843  -1.193   3.194
 1318TIP3    H245868   2.977  -1.120   3.187
 1318TIP3   OH245869   3.084  -1.304   1.732
 1318TIP3    H145870   3.175  -1.281   1.755
 1318TIP3    H245871   3.064  -1.372   1.799
 1318TIP3   OH245872   3.117  -1.512   1.924
 1318TIP3    H145873   3.047  -1.569   1.963
 1318TIP3    H245874   3.183  -1.506   1.996
 1318TIP3   OH245875   3.089  -1.265   2.422
 1318TIP3    H145876   3.155  -1.312   2.368
 1318TIP3    H245877   3.100  -1.173   2.393
 1319TIP3   OH245878   2.961  -0.969   2.643
 1319TIP3    H145879   2.890  -0.932   2.698
 1319TIP3    H245880   2.912  -1.009   2.569
 1319TIP3   OH245881   3.154  -1.564   1.579
 1319TIP3    H145882   3.098  -1.543   1.503
 1319TIP3    H245883   3.131  -1.491   1.639
 1319TIP3   OH245884   2.986  -1.817   1.407
 1319TIP3    H145885   2.983  -1.753   1.335
 1319TIP3    H245886   2.948  -1.897   1.365
 1319TIP3   OH245887   2.914  -1.700   2.008
 1319TIP3    H145888   2.903  -1.795   1.990
 1319TIP3    H245889   2.872  -1.691   2.096
 1319TIP3   OH245890   1.397  -1.479   2.374
 1319TIP3    H145891   1.418  -1.475   2.279
 1319TIP3    H245892   1.485  -1.502   2.412
 1319TIP3   OH245893   2.975  -1.510   2.922
 1319TIP3    H145894   3.046  -1.575   2.939
 1319TIP3    H245895   3.023  -1.428   2.908
 1319TIP3   OH245896   3.133  -1.708   3.031
 1319TIP3    H145897   3.049  -1.757   3.017
 1319TIP3    H245898   3.196  -1.783   3.037
 1319TIP3   OH245899   2.916  -2.077   1.329
 1319TIP3    H145900   2.970  -2.129   1.391
 1319TIP3    H245901   2.834  -2.129   1.320
 1319TIP3   OH245902   2.900  -1.950   1.827
 1319TIP3    H145903   2.921  -2.046   1.830
 1319TIP3    H245904   2.979  -1.915   1.783
 1319TIP3   OH245905   2.921  -1.889   2.368
 1319TIP3    H145906   3.019  -1.882   2.369
 1319TIP3    H245907   2.904  -1.890   2.464
 1320TIP3   OH245908   2.937  -1.819   2.646
 1320TIP3    H145909   2.851  -1.784   2.676
 1320TIP3    H245910   2.988  -1.737   2.630
 1320TIP3   OH245911   1.387  -1.943   3.017
 1320TIP3    H145912   1.480  -1.970   3.021
 1320TIP3    H245913   1.342  -2.029   3.024
 1320TIP3   OH245914   2.945  -2.230   1.822
 1320TIP3    H145915   2.953  -2.264   1.913
 1320TIP3    H245916   2.865  -2.278   1.792
 1320TIP3   OH245917   1.464  -2.110   2.296
 1320TIP3    H145918   1.508  -2.196   2.305
 1320TIP3    H245919   1.531  -2.050   2.334
 1320TIP3   OH245920   1.320  -1.844   2.404
 1320TIP3    H145921   1.373  -1.845   2.323
 1320TIP3    H245922   1.353  -1.764   2.447
 1320TIP3   OH245923   3.142  -2.182   1.491
 1320TIP3    H145924   3.171  -2.262   1.443
 1320TIP3    H245925   3.223  -2.130   1.496
 1320TIP3   OH245926   1.367  -2.208   1.807
 1320TIP3    H145927   1.272  -2.204   1.787
 1320TIP3    H245928   1.406  -2.147   1.741
 1320TIP3   OH245929   2.887  -0.636   1.989
 1320TIP3    H145930   2.859  -0.718   1.947
 1320TIP3    H245931   2.895  -0.659   2.082
 1320TIP3   OH245932   1.372  -2.320   2.622
 1320TIP3    H145933   1.300  -2.347   2.682
 1320TIP3    H245934   1.322  -2.267   2.557
 1320TIP3   OH245935   1.570  -1.010   3.089
 1320TIP3    H145936   1.497  -1.013   3.026
 1320TIP3    H245937   1.525  -1.015   3.174
 1321TIP3   OH245938   1.855  -0.914   2.658
 1321TIP3    H145939   1.822  -0.829   2.623
 1321TIP3    H245940   1.950  -0.903   2.640
 1321TIP3   OH245941   2.306  -0.782   2.958
 1321TIP3    H145942   2.317  -0.799   3.053
 1321TIP3    H245943   2.390  -0.737   2.936
 1321TIP3   OH245944   2.537  -0.634   2.881
 1321TIP3    H145945   2.603  -0.703   2.863
 1321TIP3    H245946   2.565  -0.605   2.970
 1321TIP3   OH245947   1.594  -0.615   2.691
 1321TIP3    H145948   1.530  -0.555   2.648
 1321TIP3    H245949   1.558  -0.615   2.781
 1321TIP3   OH245950   1.845  -0.637   2.550
 1321TIP3    H145951   1.757  -0.623   2.591
 1321TIP3    H245952   1.846  -0.570   2.480
 1321TIP3   OH245953   2.317  -0.640   2.501
 1321TIP3    H145954   2.276  -0.596   2.425
 1321TIP3    H245955   2.322  -0.566   2.565
 1321TIP3   OH245956   2.550  -0.768   2.592
 1321TIP3    H145957   2.464  -0.734   2.560
 1321TIP3    H245958   2.602  -0.686   2.595
 1321TIP3   OH245959   2.806  -0.594   2.614
 1321TIP3    H145960   2.795  -0.500   2.591
 1321TIP3    H245961   2.828  -0.632   2.527
 1321TIP3   OH245962   1.556  -0.727   2.386
 1321TIP3    H145963   1.550  -0.780   2.468
 1321TIP3    H245964   1.625  -0.777   2.337
 1321TIP3   OH245965   1.747  -0.857   2.234
 1321TIP3    H145966   1.733  -0.953   2.248
 1321TIP3    H245967   1.841  -0.848   2.257
 1322TIP3   OH245968   2.030  -0.812   2.318
 1322TIP3    H145969   2.046  -0.905   2.293
 1322TIP3    H245970   2.032  -0.820   2.415
 1322TIP3   OH245971   2.359  -2.226   2.247
 1322TIP3    H145972   2.291  -2.295   2.263
 1322TIP3    H245973   2.420  -2.273   2.188
 1322TIP3   OH245974   2.856  -2.426   2.293
 1322TIP3    H145975   2.931  -2.379   2.252
 1322TIP3    H245976   2.781  -2.396   2.239
 1322TIP3   OH245977   3.064  -2.314   2.081
 1322TIP3    H145978   3.135  -2.356   2.029
 1322TIP3    H245979   3.095  -2.223   2.090
 1322TIP3   OH245980   1.596  -2.356   2.004
 1322TIP3    H145981   1.510  -2.367   1.959
 1322TIP3    H245982   1.637  -2.443   1.988
 1322TIP3   OH245983   1.478  -2.407   1.591
 1322TIP3    H145984   1.528  -2.341   1.538
 1322TIP3    H245985   1.435  -2.351   1.657
 1322TIP3   OH245986   2.043  -2.372   1.991
 1322TIP3    H145987   2.135  -2.344   1.978
 1322TIP3    H245988   2.040  -2.383   2.087
 1322TIP3   OH245989   2.602  -2.368   2.132
 1322TIP3    H145990   2.627  -2.386   2.040
 1322TIP3    H245991   2.563  -2.454   2.158
 1322TIP3   OH245992   2.713  -2.368   1.731
 1322TIP3    H145993   2.630  -2.318   1.717
 1322TIP3    H245994   2.678  -2.458   1.744
 1322TIP3   OH245995   1.645  -2.229   1.440
 1322TIP3    H145996   1.706  -2.275   1.380
 1322TIP3    H245997   1.707  -2.191   1.504
 1323TIP3   OH245998   2.156  -2.205   1.698
 1323TIP3    H145999   2.191  -2.264   1.766
 1323TIP3    H246000   2.180  -2.119   1.735
 1323TIP3   OH246001   2.332  -0.673   1.551
 1323TIP3    H146002   2.408  -0.615   1.530
 1323TIP3    H246003   2.318  -0.715   1.464
 1323TIP3   OH246004   3.018  -0.793   1.760
 1323TIP3    H146005   2.974  -0.839   1.687
 1323TIP3    H246006   3.001  -0.701   1.732
 1323TIP3   OH246007   1.575  -2.332   2.957
 1323TIP3    H146008   1.535  -2.413   2.992
 1323TIP3    H246009   1.667  -2.344   2.983
 1323TIP3   OH246010   1.814  -2.393   3.131
 1323TIP3    H146011   1.896  -2.427   3.090
 1323TIP3    H246012   1.778  -2.473   3.171
 1323TIP3   OH246013   2.655  -2.481   3.140
 1323TIP3    H146014   2.657  -2.520   3.230
 1323TIP3    H246015   2.749  -2.475   3.119
 1323TIP3   OH246016   2.966  -0.846   3.012
 1323TIP3    H146017   2.889  -0.869   2.957
 1323TIP3    H246018   2.944  -0.755   3.039
 1323TIP3   OH246019   4.206  -1.561   2.335
 1323TIP3    H146020   4.280  -1.549   2.397
 1323TIP3    H246021   4.254  -1.576   2.253
 1323TIP3   OH246022   3.533  -1.571   2.495
 1323TIP3    H146023   3.518  -1.647   2.553
 1323TIP3    H246024   3.585  -1.514   2.555
 1323TIP3   OH246025   3.580  -1.120   2.343
 1323TIP3    H146026   3.561  -1.212   2.319
 1323TIP3    H246027   3.669  -1.130   2.382
 1324TIP3   OH246028   3.289  -1.771   1.894
 1324TIP3    H146029   3.238  -1.689   1.901
 1324TIP3    H246030   3.220  -1.832   1.862
 1324TIP3   OH246031   3.358  -1.529   2.081
 1324TIP3    H146032   3.370  -1.615   2.127
 1324TIP3    H246033   3.440  -1.522   2.033
 1324TIP3   OH246034   4.123  -1.286   2.399
 1324TIP3    H146035   4.156  -1.364   2.351
 1324TIP3    H246036   4.201  -1.260   2.450
 1324TIP3   OH246037   3.748  -2.036   2.141
 1324TIP3    H146038   3.717  -1.960   2.090
 1324TIP3    H246039   3.720  -2.107   2.082
 1324TIP3   OH246040   3.417  -1.777   2.200
 1324TIP3    H146041   3.472  -1.832   2.258
 1324TIP3    H246042   3.410  -1.832   2.120
 1324TIP3   OH246043   3.626  -2.173   2.566
 1324TIP3    H146044   3.581  -2.120   2.498
 1324TIP3    H246045   3.561  -2.166   2.639
 1324TIP3   OH246046   3.905  -1.394   2.569
 1324TIP3    H146047   3.837  -1.333   2.605
 1324TIP3    H246048   3.977  -1.333   2.547
 1324TIP3   OH246049   3.584  -1.965   2.358
 1324TIP3    H146050   3.648  -1.913   2.412
 1324TIP3    H246051   3.646  -2.004   2.293
 1324TIP3   OH246052   3.712  -1.199   2.645
 1324TIP3    H146053   3.714  -1.103   2.626
 1324TIP3    H246054   3.629  -1.205   2.696
 1324TIP3   OH246055   3.335  -1.171   1.761
 1324TIP3    H146056   3.327  -1.174   1.664
 1324TIP3    H246057   3.396  -1.097   1.774
 1325TIP3   OH246058   4.044  -2.425   2.282
 1325TIP3    H146059   4.016  -2.519   2.282
 1325TIP3    H246060   3.964  -2.382   2.318
 1325TIP3   OH246061   4.264  -1.542   1.747
 1325TIP3    H146062   4.200  -1.471   1.727
 1325TIP3    H246063   4.334  -1.520   1.686
 1325TIP3   OH246064   4.288  -1.697   1.465
 1325TIP3    H146065   4.368  -1.697   1.520
 1325TIP3    H246066   4.300  -1.775   1.409
 1325TIP3   OH246067   3.897  -1.115   2.317
 1325TIP3    H146068   3.897  -1.152   2.228
 1325TIP3    H246069   3.975  -1.157   2.357
 1325TIP3   OH246070   3.836  -1.558   2.340
 1325TIP3    H146071   3.929  -1.565   2.315
 1325TIP3    H246072   3.844  -1.514   2.427
 1325TIP3   OH246073   3.904  -1.135   2.869
 1325TIP3    H146074   3.856  -1.074   2.927
 1325TIP3    H246075   3.835  -1.161   2.806
 1325TIP3   OH246076   3.589  -1.493   2.777
 1325TIP3    H146077   3.600  -1.442   2.859
 1325TIP3    H246078   3.494  -1.515   2.781
 1325TIP3   OH246079   4.244  -0.930   1.963
 1325TIP3    H146080   4.298  -0.883   2.029
 1325TIP3    H246081   4.200  -0.856   1.918
 1325TIP3   OH246082   3.708  -0.917   2.955
 1325TIP3    H146083   3.696  -0.922   2.859
 1325TIP3    H246084   3.622  -0.948   2.990
 1325TIP3   OH246085   3.679  -1.582   1.829
 1325TIP3    H146086   3.656  -1.500   1.781
 1325TIP3    H246087   3.606  -1.640   1.800
 1326TIP3   OH246088   3.257  -1.311   2.665
 1326TIP3    H146089   3.209  -1.317   2.580
 1326TIP3    H246090   3.269  -1.405   2.688
 1326TIP3   OH246091   3.266  -1.010   2.351
 1326TIP3    H146092   3.354  -1.047   2.368
 1326TIP3    H246093   3.252  -0.959   2.432
 1326TIP3   OH246094   4.168  -1.030   2.814
 1326TIP3    H146095   4.181  -0.948   2.864
 1326TIP3    H246096   4.082  -1.063   2.846
 1326TIP3   OH246097   4.179  -0.651   1.810
 1326TIP3    H146098   4.207  -0.649   1.718
 1326TIP3    H246099   4.208  -0.567   1.845
 1326TIP3   OH246100   3.555  -0.765   1.969
 1326TIP3    H146101   3.579  -0.801   2.057
 1326TIP3    H246102   3.468  -0.804   1.954
 1326TIP3   OH246103   3.477  -1.156   2.789
 1326TIP3    H146104   3.502  -1.197   2.874
 1326TIP3    H246105   3.402  -1.212   2.760
 1326TIP3   OH246106   3.797  -2.302   2.360
 1326TIP3    H146107   3.711  -2.316   2.317
 1326TIP3    H246108   3.772  -2.238   2.429
 1326TIP3   OH246109   4.233  -2.372   2.794
 1326TIP3    H146110   4.245  -2.445   2.858
 1326TIP3    H246111   4.142  -2.390   2.763
 1326TIP3   OH246112   4.227  -2.091   1.465
 1326TIP3    H146113   4.169  -2.114   1.539
 1326TIP3    H246114   4.204  -2.159   1.401
 1326TIP3   OH246115   3.774  -1.831   2.507
 1326TIP3    H146116   3.724  -1.822   2.590
 1326TIP3    H246117   3.781  -1.739   2.477
 1327TIP3   OH246118   4.274  -1.774   1.939
 1327TIP3    H146119   4.274  -1.679   1.917
 1327TIP3    H246120   4.363  -1.788   1.976
 1327TIP3   OH246121   4.247  -1.741   3.019
 1327TIP3    H146122   4.195  -1.821   3.041
 1327TIP3    H246123   4.337  -1.778   3.026
 1327TIP3   OH246124   3.516  -1.811   2.689
 1327TIP3    H146125   3.542  -1.784   2.778
 1327TIP3    H246126   3.478  -1.899   2.708
 1327TIP3   OH246127   3.858  -2.040   1.349
 1327TIP3    H146128   3.824  -2.085   1.429
 1327TIP3    H246129   3.783  -2.046   1.288
 1327TIP3   OH246130   3.218  -2.049   2.051
 1327TIP3    H146131   3.266  -2.074   2.133
 1327TIP3    H246132   3.253  -2.109   1.984
 1327TIP3   OH246133   3.362  -2.020   1.624
 1327TIP3    H146134   3.411  -1.969   1.557
 1327TIP3    H246135   3.289  -1.959   1.645
 1327TIP3   OH246136   4.347  -1.691   2.629
 1327TIP3    H146137   4.370  -1.760   2.563
 1327TIP3    H246138   4.275  -1.736   2.675
 1327TIP3   OH246139   4.048  -2.082   2.098
 1327TIP3    H146140   3.955  -2.077   2.128
 1327TIP3    H246141   4.094  -2.061   2.181
 1327TIP3   OH246142   3.548  -1.911   1.956
 1327TIP3    H146143   3.459  -1.889   1.924
 1327TIP3    H246144   3.562  -2.000   1.918
 1327TIP3   OH246145   3.872  -1.845   1.773
 1327TIP3    H146146   3.951  -1.900   1.755
 1327TIP3    H246147   3.828  -1.842   1.685
 1328TIP3   OH246148   3.732  -1.793   1.526
 1328TIP3    H146149   3.661  -1.813   1.464
 1328TIP3    H246150   3.807  -1.773   1.467
 1328TIP3   OH246151   3.583  -1.307   3.010
 1328TIP3    H146152   3.651  -1.300   3.081
 1328TIP3    H246153   3.503  -1.312   3.066
 1328TIP3   OH246154   4.116  -1.833   2.230
 1328TIP3    H146155   4.205  -1.847   2.194
 1328TIP3    H246156   4.137  -1.832   2.325
 1328TIP3   OH246157   3.684  -2.168   1.896
 1328TIP3    H146158   3.620  -2.240   1.918
 1328TIP3    H246159   3.762  -2.219   1.871
 1328TIP3   OH246160   4.047  -1.974   2.511
 1328TIP3    H146161   3.978  -1.907   2.500
 1328TIP3    H246162   4.104  -1.934   2.580
 1328TIP3   OH246163   4.069  -1.339   1.704
 1328TIP3    H146164   3.993  -1.384   1.661
 1328TIP3    H246165   4.042  -1.336   1.798
 1328TIP3   OH246166   4.188  -1.339   2.818
 1328TIP3    H146167   4.190  -1.353   2.913
 1328TIP3    H246168   4.216  -1.247   2.808
 1328TIP3   OH246169   3.596  -1.395   2.253
 1328TIP3    H146170   3.685  -1.410   2.219
 1328TIP3    H246171   3.588  -1.470   2.314
 1328TIP3   OH246172   4.286  -1.197   1.598
 1328TIP3    H146173   4.260  -1.107   1.625
 1328TIP3    H246174   4.209  -1.248   1.630
 1328TIP3   OH246175   3.305  -1.558   2.804
 1328TIP3    H146176   3.319  -1.600   2.892
 1328TIP3    H246177   3.242  -1.619   2.762
 1329TIP3   OH246178   4.002  -1.607   3.005
 1329TIP3    H146179   3.972  -1.638   2.919
 1329TIP3    H246180   4.096  -1.632   3.002
 1329TIP3   OH246181   3.813  -1.061   2.001
 1329TIP3    H146182   3.865  -0.980   1.996
 1329TIP3    H246183   3.726  -1.028   1.978
 1329TIP3   OH246184   3.422  -1.583   1.458
 1329TIP3    H146185   3.475  -1.510   1.493
 1329TIP3    H246186   3.331  -1.557   1.485
 1329TIP3   OH246187   3.962  -1.318   1.968
 1329TIP3    H146188   3.977  -1.223   1.980
 1329TIP3    H246189   3.879  -1.329   2.014
 1329TIP3   OH246190   4.020  -0.859   2.604
 1329TIP3    H146191   4.081  -0.788   2.573
 1329TIP3    H246192   4.080  -0.912   2.658
 1329TIP3   OH246193   3.857  -0.767   1.927
 1329TIP3    H146194   3.761  -0.751   1.932
 1329TIP3    H246195   3.894  -0.680   1.951
 1329TIP3   OH246196   3.435  -2.093   2.763
 1329TIP3    H146197   3.342  -2.068   2.744
 1329TIP3    H246198   3.424  -2.177   2.811
 1329TIP3   OH246199   3.414  -0.919   2.606
 1329TIP3    H146200   3.442  -1.010   2.628
 1329TIP3    H246201   3.431  -0.875   2.690
 1329TIP3   OH246202   3.992  -1.047   1.309
 1329TIP3    H146203   4.031  -1.121   1.258
 1329TIP3    H246204   3.959  -1.093   1.387
 1329TIP3   OH246205   3.884  -1.107   1.585
 1329TIP3    H146206   3.939  -1.153   1.649
 1329TIP3    H246207   3.898  -1.013   1.610
 1330TIP3   OH246208   3.567  -1.361   1.627
 1330TIP3    H146209   3.490  -1.321   1.671
 1330TIP3    H246210   3.609  -1.283   1.586
 1330TIP3   OH246211   4.341  -2.063   2.670
 1330TIP3    H146212   4.378  -2.140   2.713
 1330TIP3    H246213   4.275  -2.102   2.611
 1330TIP3   OH246214   4.165  -0.940   1.635
 1330TIP3    H146215   4.089  -0.885   1.658
 1330TIP3    H246216   4.213  -0.883   1.573
 1330TIP3   OH246217   4.127  -1.978   1.841
 1330TIP3    H146218   4.193  -1.908   1.864
 1330TIP3    H246219   4.104  -2.004   1.933
 1330TIP3   OH246220   4.169  -1.874   2.759
 1330TIP3    H146221   4.182  -1.829   2.844
 1330TIP3    H246222   4.237  -1.944   2.762
 1330TIP3   OH246223   4.193  -2.268   1.956
 1330TIP3    H146224   4.166  -2.193   2.014
 1330TIP3    H246225   4.275  -2.234   1.916
 1330TIP3   OH246226   3.890  -0.832   1.642
 1330TIP3    H146227   3.891  -0.751   1.587
 1330TIP3    H246228   3.883  -0.795   1.732
 1330TIP3   OH246229   3.773  -2.154   1.584
 1330TIP3    H146230   3.757  -2.091   1.657
 1330TIP3    H246231   3.850  -2.204   1.616
 1330TIP3   OH246232   3.608  -1.079   1.499
 1330TIP3    H146233   3.682  -1.027   1.535
 1330TIP3    H246234   3.655  -1.124   1.427
 1330TIP3   OH246235   3.431  -1.851   1.400
 1330TIP3    H146236   3.433  -1.754   1.418
 1330TIP3    H246237   3.341  -1.861   1.365
 1331TIP3   OH246238   3.519  -2.355   2.286
 1331TIP3    H146239   3.496  -2.358   2.191
 1331TIP3    H246240   3.484  -2.439   2.319
 1331TIP3   OH246241   3.346  -0.712   3.027
 1331TIP3    H146242   3.404  -0.738   3.100
 1331TIP3    H246243   3.306  -0.798   3.002
 1331TIP3   OH246244   3.820  -0.797   3.197
 1331TIP3    H146245   3.876  -0.867   3.234
 1331TIP3    H246246   3.789  -0.839   3.115
 1331TIP3   OH246247   4.230  -0.882   1.342
 1331TIP3    H146248   4.148  -0.936   1.341
 1331TIP3    H246249   4.295  -0.952   1.326
 1331TIP3   OH246250   3.342  -1.349   3.139
 1331TIP3    H146251   3.350  -1.441   3.108
 1331TIP3    H246252   3.264  -1.319   3.089
 1331TIP3   OH246253   3.756  -1.311   1.335
 1331TIP3    H146254   3.777  -1.368   1.411
 1331TIP3    H246255   3.843  -1.306   1.291
 1331TIP3   OH246256   4.008  -1.329   3.073
 1331TIP3    H146257   3.981  -1.298   2.985
 1331TIP3    H246258   4.017  -1.425   3.060
 1331TIP3   OH246259   4.256  -1.174   1.299
 1331TIP3    H146260   4.281  -1.162   1.392
 1331TIP3    H246261   4.249  -1.271   1.293
 1331TIP3   OH246262   3.431  -1.634   3.056
 1331TIP3    H146263   3.502  -1.700   3.059
 1331TIP3    H246264   3.422  -1.614   3.150
 1331TIP3   OH246265   3.870  -1.503   1.581
 1331TIP3    H146266   3.804  -1.558   1.626
 1331TIP3    H246267   3.904  -1.565   1.514
 1332TIP3   OH246268   3.793  -1.723   2.796
 1332TIP3    H146269   3.743  -1.645   2.827
 1332TIP3    H246270   3.857  -1.683   2.735
 1332TIP3   OH246271   3.977  -1.693   1.402
 1332TIP3    H146272   3.973  -1.696   1.305
 1332TIP3    H246273   4.073  -1.689   1.417
 1332TIP3   OH246274   4.281  -1.476   3.165
 1332TIP3    H146275   4.358  -1.509   3.117
 1332TIP3    H246276   4.267  -1.549   3.228
 1332TIP3   OH246277   3.860  -1.991   2.917
 1332TIP3    H146278   3.861  -2.059   2.847
 1332TIP3    H246279   3.836  -1.911   2.867
 1332TIP3   OH246280   3.887  -2.149   2.658
 1332TIP3    H146281   3.936  -2.091   2.596
 1332TIP3    H246282   3.795  -2.144   2.625
 1332TIP3   OH246283   4.059  -1.610   2.686
 1332TIP3    H146284   4.138  -1.609   2.631
 1332TIP3    H246285   4.032  -1.516   2.681
 1332TIP3   OH246286   3.674  -1.810   3.093
 1332TIP3    H146287   3.618  -1.890   3.094
 1332TIP3    H246288   3.755  -1.844   3.051
 1332TIP3   OH246289   3.972  -2.409   2.694
 1332TIP3    H146290   3.947  -2.316   2.678
 1332TIP3    H246291   3.904  -2.456   2.642
 1332TIP3   OH246292   4.102  -1.965   3.070
 1332TIP3    H146293   4.065  -1.989   3.156
 1332TIP3    H246294   4.027  -1.987   3.012
 1332TIP3   OH246295   3.539  -2.065   3.075
 1332TIP3    H146296   3.529  -2.137   3.010
 1332TIP3    H246297   3.512  -2.109   3.157
 1333TIP3   OH246298   3.945  -2.464   2.979
 1333TIP3    H146299   4.006  -2.539   2.982
 1333TIP3    H246300   3.940  -2.447   2.883
 1333TIP3   OH246301   4.036  -2.283   3.172
 1333TIP3    H146302   4.005  -2.338   3.097
 1333TIP3    H246303   3.973  -2.210   3.171
 1333TIP3   OH246304   3.956  -0.579   1.512
 1333TIP3    H146305   4.052  -0.570   1.520
 1333TIP3    H246306   3.941  -0.528   1.431
 1333TIP3   OH246307   3.336  -1.146   1.476
 1333TIP3    H146308   3.430  -1.119   1.472
 1333TIP3    H246309   3.331  -1.212   1.404
 1333TIP3   OH246310   3.229  -0.622   1.926
 1333TIP3    H146311   3.143  -0.643   1.888
 1333TIP3    H246312   3.231  -0.679   2.005
 1333TIP3   OH246313   3.269  -0.836   2.122
 1333TIP3    H146314   3.247  -0.912   2.181
 1333TIP3    H246315   3.307  -0.779   2.191
 1333TIP3   OH246316   3.286  -1.474   2.375
 1333TIP3    H146317   3.310  -1.477   2.281
 1333TIP3    H246318   3.372  -1.499   2.417
 1333TIP3   OH246319   3.239  -1.983   3.028
 1333TIP3    H146320   3.332  -2.008   3.025
 1333TIP3    H246321   3.196  -2.070   3.038
 1333TIP3   OH246322   3.352  -2.110   2.291
 1333TIP3    H146323   3.392  -2.197   2.308
 1333TIP3    H246324   3.415  -2.051   2.336
 1333TIP3   OH246325   3.206  -1.844   2.399
 1333TIP3    H146326   3.262  -1.842   2.320
 1333TIP3    H246327   3.238  -1.768   2.448
 1334TIP3   OH246328   3.251  -2.206   1.809
 1334TIP3    H146329   3.156  -2.205   1.787
 1334TIP3    H246330   3.290  -2.148   1.742
 1334TIP3   OH246331   3.231  -2.325   2.641
 1334TIP3    H146332   3.170  -2.360   2.708
 1334TIP3    H246333   3.171  -2.280   2.580
 1334TIP3   OH246334   3.456  -1.009   3.086
 1334TIP3    H146335   3.378  -1.011   3.030
 1334TIP3    H246336   3.419  -1.018   3.175
 1334TIP3   OH246337   3.741  -0.917   2.652
 1334TIP3    H146338   3.710  -0.829   2.623
 1334TIP3    H246339   3.837  -0.905   2.640
 1334TIP3   OH246340   4.219  -0.747   2.948
 1334TIP3    H146341   4.204  -0.785   3.036
 1334TIP3    H246342   4.315  -0.728   2.954
 1334TIP3   OH246343   3.477  -0.615   2.688
 1334TIP3    H146344   3.415  -0.551   2.650
 1334TIP3    H246345   3.449  -0.615   2.780
 1334TIP3   OH246346   3.726  -0.642   2.545
 1334TIP3    H146347   3.643  -0.621   2.591
 1334TIP3    H246348   3.734  -0.569   2.481
 1334TIP3   OH246349   4.195  -0.662   2.502
 1334TIP3    H146350   4.180  -0.610   2.421
 1334TIP3    H246351   4.259  -0.609   2.549
 1334TIP3   OH246352   3.436  -0.737   2.384
 1334TIP3    H146353   3.432  -0.783   2.470
 1334TIP3    H246354   3.514  -0.780   2.344
 1334TIP3   OH246355   3.635  -0.866   2.225
 1334TIP3    H146356   3.623  -0.957   2.259
 1334TIP3    H246357   3.725  -0.845   2.259
 1335TIP3   OH246358   3.908  -0.815   2.318
 1335TIP3    H146359   3.934  -0.906   2.298
 1335TIP3    H246360   3.921  -0.814   2.414
 1335TIP3   OH246361   4.265  -2.258   2.248
 1335TIP3    H146362   4.182  -2.306   2.263
 1335TIP3    H246363   4.299  -2.302   2.170
 1335TIP3   OH246364   3.482  -2.355   2.000
 1335TIP3    H146365   3.394  -2.369   1.959
 1335TIP3    H246366   3.522  -2.443   1.990
 1335TIP3   OH246367   3.365  -2.407   1.594
 1335TIP3    H146368   3.411  -2.340   1.540
 1335TIP3    H246369   3.320  -2.353   1.660
 1335TIP3   OH246370   3.930  -2.367   1.992
 1335TIP3    H146371   4.024  -2.344   1.983
 1335TIP3    H246372   3.925  -2.383   2.087
 1335TIP3   OH246373   3.333  -0.842   1.729
 1335TIP3    H146374   3.304  -0.832   1.637
 1335TIP3    H246375   3.374  -0.754   1.740
 1335TIP3   OH246376   3.536  -2.221   1.433
 1335TIP3    H146377   3.593  -2.283   1.384
 1335TIP3    H246378   3.596  -2.191   1.504
 1335TIP3   OH246379   4.062  -2.200   1.693
 1335TIP3    H146380   4.066  -2.270   1.760
 1335TIP3    H246381   4.073  -2.120   1.747
 1335TIP3   OH246382   4.264  -0.649   1.518
 1335TIP3    H146383   4.351  -0.609   1.499
 1335TIP3    H246384   4.249  -0.705   1.441
 1335TIP3   OH246385   3.482  -2.323   2.949
 1335TIP3    H146386   3.415  -2.385   2.984
 1335TIP3    H246387   3.562  -2.352   2.997
 1336TIP3   OH246388   3.702  -2.393   3.134
 1336TIP3    H146389   3.783  -2.430   3.093
 1336TIP3    H246390   3.661  -2.473   3.171
 1336TIP3   OH246391   3.518  -0.724   1.394
 1336TIP3    H146392   3.505  -0.681   1.480
 1336TIP3    H246393   3.603  -0.770   1.404
 1336TIP3   OH246394  -3.162   0.403   2.029
 1336TIP3    H146395  -3.161   0.499   2.040
 1336TIP3    H246396  -3.236   0.391   1.967
 1336TIP3   OH246397  -3.276   0.349   2.337
 1336TIP3    H146398  -3.275   0.293   2.416
 1336TIP3    H246399  -3.302   0.286   2.269
 1336TIP3   OH246400  -4.029   0.308   2.501
 1336TIP3    H146401  -4.033   0.233   2.564
 1336TIP3    H246402  -3.959   0.361   2.541
 1336TIP3   OH246403  -2.905   0.622   2.169
 1336TIP3    H146404  -2.945   0.551   2.222
 1336TIP3    H246405  -2.880   0.685   2.238
 1336TIP3   OH246406  -3.960   0.768   2.351
 1336TIP3    H146407  -3.987   0.678   2.325
 1336TIP3    H246408  -3.867   0.754   2.372
 1336TIP3   OH246409  -4.197   0.167   1.799
 1336TIP3    H146410  -4.223   0.242   1.855
 1336TIP3    H246411  -4.283   0.132   1.770
 1336TIP3   OH246412  -4.205   0.345   2.054
 1336TIP3    H146413  -4.188   0.282   2.126
 1336TIP3    H246414  -4.118   0.385   2.041
 1336TIP3   OH246415  -3.201   1.159   2.228
 1336TIP3    H146416  -3.142   1.089   2.192
 1336TIP3    H246417  -3.226   1.120   2.312
 1337TIP3   OH246418  -3.426   0.600   2.393
 1337TIP3    H146419  -3.393   0.528   2.336
 1337TIP3    H246420  -3.345   0.615   2.445
 1337TIP3   OH246421  -2.564  -0.246   2.458
 1337TIP3    H146422  -2.532  -0.187   2.529
 1337TIP3    H246423  -2.500  -0.226   2.387
 1337TIP3   OH246424  -3.096   0.034   2.443
 1337TIP3    H146425  -3.084  -0.062   2.451
 1337TIP3    H246426  -3.105   0.043   2.346
 1337TIP3   OH246427  -3.798  -0.166   2.152
 1337TIP3    H146428  -3.785  -0.080   2.106
 1337TIP3    H246429  -3.834  -0.220   2.080
 1337TIP3   OH246430  -3.036  -0.162   1.973
 1337TIP3    H146431  -2.971  -0.206   2.031
 1337TIP3    H246432  -2.978  -0.120   1.908
 1337TIP3   OH246433  -4.138   0.109   2.206
 1337TIP3    H146434  -4.079   0.066   2.270
 1337TIP3    H246435  -4.121   0.055   2.127
 1337TIP3   OH246436  -3.592   0.245   2.149
 1337TIP3    H146437  -3.521   0.191   2.188
 1337TIP3    H246438  -3.643   0.178   2.100
 1337TIP3   OH246439  -2.485  -0.108   2.706
 1337TIP3    H146440  -2.548  -0.039   2.678
 1337TIP3    H246441  -2.508  -0.116   2.800
 1337TIP3   OH246442  -3.916  -0.282   2.568
 1337TIP3    H146443  -3.963  -0.239   2.496
 1337TIP3    H246444  -3.980  -0.269   2.641
 1337TIP3   OH246445  -3.171   0.689   1.909
 1337TIP3    H146446  -3.200   0.666   1.821
 1337TIP3    H246447  -3.216   0.774   1.925
 1338TIP3   OH246448  -3.625   0.501   2.580
 1338TIP3    H146449  -3.698   0.561   2.606
 1338TIP3    H246450  -3.563   0.562   2.536
 1338TIP3   OH246451  -2.840  -0.229   2.184
 1338TIP3    H146452  -2.881  -0.283   2.252
 1338TIP3    H246453  -2.781  -0.172   2.236
 1338TIP3   OH246454  -3.958  -0.077   2.359
 1338TIP3    H146455  -3.892  -0.023   2.407
 1338TIP3    H246456  -3.901  -0.118   2.291
 1338TIP3   OH246457  -3.828   0.688   2.652
 1338TIP3    H146458  -3.830   0.780   2.622
 1338TIP3    H246459  -3.916   0.680   2.694
 1338TIP3   OH246460  -4.181   0.654   1.743
 1338TIP3    H146461  -4.262   0.667   1.690
 1338TIP3    H246462  -4.196   0.710   1.821
 1338TIP3   OH246463  -2.849   0.803   2.418
 1338TIP3    H146464  -2.946   0.813   2.421
 1338TIP3    H246465  -2.823   0.890   2.381
 1338TIP3   OH246466  -2.817  -0.317   2.573
 1338TIP3    H146467  -2.895  -0.275   2.531
 1338TIP3    H246468  -2.745  -0.291   2.512
 1338TIP3   OH246469  -3.507  -0.544   2.273
 1338TIP3    H146470  -3.532  -0.639   2.279
 1338TIP3    H246471  -3.586  -0.502   2.314
 1338TIP3   OH246472  -3.020   0.998   2.076
 1338TIP3    H146473  -2.973   0.918   2.044
 1338TIP3    H246474  -2.952   1.066   2.063
 1338TIP3   OH246475  -2.878   0.785   1.939
 1338TIP3    H146476  -2.923   0.738   1.867
 1338TIP3    H246477  -2.882   0.719   2.010
 1339TIP3   OH246478  -2.720   0.666   2.786
 1339TIP3    H146479  -2.733   0.601   2.714
 1339TIP3    H246480  -2.711   0.750   2.737
 1339TIP3   OH246481  -3.291   0.355   1.756
 1339TIP3    H146482  -3.357   0.415   1.717
 1339TIP3    H246483  -3.220   0.358   1.690
 1339TIP3   OH246484  -3.269   0.175   1.463
 1339TIP3    H146485  -3.198   0.204   1.523
 1339TIP3    H246486  -3.217   0.121   1.401
 1339TIP3   OH246487  -2.539   0.289   2.573
 1339TIP3    H146488  -2.616   0.350   2.585
 1339TIP3    H246489  -2.503   0.321   2.489
 1339TIP3   OH246490  -2.940   0.361   1.866
 1339TIP3    H146491  -3.011   0.380   1.931
 1339TIP3    H246492  -2.886   0.297   1.914
 1339TIP3   OH246493  -2.959   0.211   2.747
 1339TIP3    H146494  -2.956   0.292   2.799
 1339TIP3    H246495  -3.026   0.238   2.681
 1339TIP3   OH246496  -3.783   0.435   2.040
 1339TIP3    H146497  -3.816   0.390   1.959
 1339TIP3    H246498  -3.719   0.370   2.074
 1339TIP3   OH246499  -3.648   0.774   2.315
 1339TIP3    H146500  -3.658   0.736   2.227
 1339TIP3    H246501  -3.568   0.727   2.347
 1339TIP3   OH246502  -3.729   0.320   2.387
 1339TIP3    H146503  -3.669   0.319   2.310
 1339TIP3    H246504  -3.686   0.382   2.448
 1339TIP3   OH246505  -3.132   0.867   2.448
 1339TIP3    H146506  -3.129   0.933   2.519
 1339TIP3    H246507  -3.154   0.784   2.495
 1340TIP3   OH246508  -3.641   0.747   2.872
 1340TIP3    H146509  -3.693   0.812   2.923
 1340TIP3    H246510  -3.706   0.720   2.804
 1340TIP3   OH246511  -3.044   0.292   1.610
 1340TIP3    H146512  -2.993   0.315   1.691
 1340TIP3    H246513  -2.993   0.342   1.542
 1340TIP3   OH246514  -3.956   0.385   2.786
 1340TIP3    H146515  -3.948   0.441   2.865
 1340TIP3    H246516  -4.053   0.376   2.779
 1340TIP3   OH246517  -3.304   0.961   1.966
 1340TIP3    H146518  -3.255   0.990   2.043
 1340TIP3    H246519  -3.352   1.041   1.939
 1340TIP3   OH246520  -3.837   0.966   2.957
 1340TIP3    H146521  -3.843   0.966   2.860
 1340TIP3    H246522  -3.928   0.944   2.985
 1340TIP3   OH246523  -2.708  -0.468   1.521
 1340TIP3    H146524  -2.738  -0.534   1.585
 1340TIP3    H246525  -2.611  -0.468   1.534
 1340TIP3   OH246526  -3.894   0.307   1.795
 1340TIP3    H146527  -3.916   0.382   1.738
 1340TIP3    H246528  -3.964   0.243   1.772
 1340TIP3   OH246529  -2.556   0.882   1.414
 1340TIP3    H146530  -2.543   0.975   1.439
 1340TIP3    H246531  -2.467   0.845   1.426
 1340TIP3   OH246532  -4.271   0.592   2.645
 1340TIP3    H146533  -4.286   0.554   2.557
 1340TIP3    H246534  -4.305   0.520   2.702
 1340TIP3   OH246535  -4.279   0.877   2.340
 1340TIP3    H146536  -4.200   0.824   2.359
 1340TIP3    H246537  -4.298   0.915   2.426
 1341TIP3   OH246538  -2.442   0.925   2.937
 1341TIP3    H146539  -2.456   0.829   2.924
 1341TIP3    H246540  -2.532   0.953   2.964
 1341TIP3   OH246541  -3.378   0.853   2.816
 1341TIP3    H146542  -3.370   0.934   2.870
 1341TIP3    H246543  -3.468   0.821   2.840
 1341TIP3   OH246544  -3.349   1.233   1.814
 1341TIP3    H146545  -3.348   1.243   1.718
 1341TIP3    H246546  -3.344   1.325   1.846
 1341TIP3   OH246547  -3.977   1.146   1.977
 1341TIP3    H146548  -3.951   1.106   2.062
 1341TIP3    H246549  -4.051   1.088   1.952
 1341TIP3   OH246550  -3.020   1.175   1.532
 1341TIP3    H146551  -2.960   1.110   1.489
 1341TIP3    H246552  -3.024   1.138   1.623
 1341TIP3   OH246553  -3.080   1.119   1.813
 1341TIP3    H146554  -3.175   1.131   1.827
 1341TIP3    H246555  -3.062   1.046   1.875
 1341TIP3   OH246556  -2.762   0.067   2.977
 1341TIP3    H146557  -2.816   0.104   2.906
 1341TIP3    H246558  -2.759  -0.028   2.952
 1341TIP3   OH246559  -4.072   0.731   2.795
 1341TIP3    H146560  -4.041   0.674   2.868
 1341TIP3    H246561  -4.146   0.680   2.756
 1341TIP3   OH246562  -3.747  -0.422   2.371
 1341TIP3    H146563  -3.830  -0.441   2.325
 1341TIP3    H246564  -3.776  -0.353   2.432
 1341TIP3   OH246565  -3.312  -0.462   2.735
 1341TIP3    H146566  -3.262  -0.519   2.797
 1341TIP3    H246567  -3.403  -0.497   2.743
 1342TIP3   OH246568  -2.993  -0.085   2.785
 1342TIP3    H146569  -3.055  -0.102   2.858
 1342TIP3    H246570  -3.003   0.011   2.770
 1342TIP3   OH246571  -2.892   0.412   1.407
 1342TIP3    H146572  -2.909   0.384   1.316
 1342TIP3    H246573  -2.795   0.425   1.405
 1342TIP3   OH246574  -3.762   0.057   2.507
 1342TIP3    H146575  -3.817   0.066   2.586
 1342TIP3    H246576  -3.757   0.148   2.473
 1342TIP3   OH246577  -3.770   0.063   1.997
 1342TIP3    H146578  -3.866   0.057   1.980
 1342TIP3    H246579  -3.735   0.045   1.908
 1342TIP3   OH246580  -3.188   0.115   1.862
 1342TIP3    H146581  -3.228   0.199   1.832
 1342TIP3    H246582  -3.130   0.094   1.786
 1342TIP3   OH246583  -3.288   0.141   3.011
 1342TIP3    H146584  -3.338   0.065   3.046
 1342TIP3    H246585  -3.200   0.127   3.051
 1342TIP3   OH246586  -3.119   0.051   2.144
 1342TIP3    H146587  -3.144   0.109   2.070
 1342TIP3    H246588  -3.099  -0.030   2.093
 1342TIP3   OH246589  -4.029   0.075   2.694
 1342TIP3    H146590  -3.994   0.106   2.778
 1342TIP3    H246591  -4.052  -0.017   2.716
 1342TIP3   OH246592  -3.683  -0.166   1.356
 1342TIP3    H146593  -3.729  -0.208   1.431
 1342TIP3    H246594  -3.756  -0.149   1.294
 1342TIP3   OH246595  -4.319  -0.167   2.056
 1342TIP3    H146596  -4.304  -0.191   2.149
 1342TIP3    H246597  -4.279  -0.241   2.010
 1343TIP3   OH246598  -4.211  -0.118   1.645
 1343TIP3    H146599  -4.151  -0.095   1.571
 1343TIP3    H246600  -4.295  -0.089   1.609
 1343TIP3   OH246601  -3.210   0.227   2.599
 1343TIP3    H146602  -3.167   0.155   2.548
 1343TIP3    H246603  -3.245   0.178   2.675
 1343TIP3   OH246604  -3.492  -0.178   2.096
 1343TIP3    H146605  -3.585  -0.182   2.122
 1343TIP3    H246606  -3.447  -0.198   2.180
 1343TIP3   OH246607  -4.039  -0.051   1.964
 1343TIP3    H146608  -4.113  -0.035   1.903
 1343TIP3    H246609  -4.003  -0.134   1.929
 1343TIP3   OH246610  -3.667  -0.029   1.729
 1343TIP3    H146611  -3.573  -0.007   1.742
 1343TIP3    H246612  -3.697   0.037   1.664
 1343TIP3   OH246613  -3.053  -0.266   2.401
 1343TIP3    H146614  -3.115  -0.265   2.477
 1343TIP3    H246615  -3.113  -0.295   2.330
 1343TIP3   OH246616  -3.824   0.106   1.514
 1343TIP3    H146617  -3.885   0.074   1.446
 1343TIP3    H246618  -3.744   0.124   1.462
 1343TIP3   OH246619  -2.751   1.313   3.067
 1343TIP3    H146620  -2.728   1.360   2.986
 1343TIP3    H246621  -2.685   1.347   3.129
 1343TIP3   OH246622  -3.952   0.578   3.009
 1343TIP3    H146623  -3.889   0.580   3.086
 1343TIP3    H246624  -4.036   0.586   3.058
 1343TIP3   OH246625  -3.386   0.077   2.280
 1343TIP3    H146626  -3.313   0.031   2.235
 1343TIP3    H246627  -3.404   0.017   2.355
 1344TIP3   OH246628  -3.875  -0.286   1.908
 1344TIP3    H146629  -3.921  -0.371   1.914
 1344TIP3    H246630  -3.795  -0.310   1.859
 1344TIP3   OH246631  -3.488  -0.073   2.502
 1344TIP3    H146632  -3.569  -0.020   2.509
 1344TIP3    H246633  -3.441  -0.053   2.586
 1344TIP3   OH246634  -3.478   0.562   1.696
 1344TIP3    H146635  -3.553   0.510   1.661
 1344TIP3    H246636  -3.496   0.565   1.793
 1344TIP3   OH246637  -2.754   0.477   2.569
 1344TIP3    H146638  -2.706   0.531   2.504
 1344TIP3    H246639  -2.841   0.465   2.525
 1344TIP3   OH246640  -3.312   0.563   2.828
 1344TIP3    H146641  -3.342   0.529   2.913
 1344TIP3    H246642  -3.344   0.655   2.830
 1344TIP3   OH246643  -3.020  -0.010   1.651
 1344TIP3    H146644  -2.933  -0.028   1.689
 1344TIP3    H246645  -3.003   0.068   1.596
 1344TIP3   OH246646  -3.977   0.493   2.266
 1344TIP3    H146647  -3.908   0.485   2.197
 1344TIP3    H246648  -3.961   0.413   2.319
 1344TIP3   OH246649  -3.239   0.699   1.587
 1344TIP3    H146650  -3.264   0.784   1.628
 1344TIP3    H246651  -3.312   0.642   1.616
 1344TIP3   OH246652  -4.241   0.346   2.832
 1344TIP3    H146653  -4.229   0.281   2.903
 1344TIP3    H246654  -4.288   0.294   2.764
 1344TIP3   OH246655  -3.540   0.280   3.003
 1344TIP3    H146656  -3.574   0.253   2.916
 1344TIP3    H246657  -3.448   0.250   2.996
 1345TIP3   OH246658  -3.087   0.824   2.775
 1345TIP3    H146659  -3.184   0.830   2.770
 1345TIP3    H246660  -3.070   0.847   2.868
 1345TIP3   OH246661  -2.540   0.030   1.663
 1345TIP3    H146662  -2.582   0.000   1.581
 1345TIP3    H246663  -2.524   0.124   1.641
 1345TIP3   OH246664  -2.487   0.634   2.931
 1345TIP3    H146665  -2.582   0.653   2.913
 1345TIP3    H246666  -2.456   0.613   2.841
 1345TIP3   OH246667  -2.720   0.884   1.656
 1345TIP3    H146668  -2.733   0.808   1.715
 1345TIP3    H246669  -2.654   0.851   1.594
 1345TIP3   OH246670  -2.989   0.421   2.400
 1345TIP3    H146671  -3.082   0.406   2.377
 1345TIP3    H246672  -2.946   0.348   2.350
 1345TIP3   OH246673  -3.728   0.830   2.007
 1345TIP3    H146674  -3.684   0.916   1.993
 1345TIP3    H246675  -3.818   0.850   1.980
 1345TIP3   OH246676  -4.154   0.324   1.476
 1345TIP3    H146677  -4.081   0.378   1.513
 1345TIP3    H246678  -4.229   0.384   1.489
 1345TIP3   OH246679  -3.543   0.598   1.966
 1345TIP3    H146680  -3.573   0.689   1.982
 1345TIP3    H246681  -3.614   0.548   2.009
 1345TIP3   OH246682  -3.526   1.026   2.603
 1345TIP3    H146683  -3.467   1.097   2.571
 1345TIP3    H246684  -3.465   0.974   2.658
 1345TIP3   OH246685  -3.681   1.119   1.927
 1345TIP3    H146686  -3.776   1.136   1.932
 1345TIP3    H246687  -3.645   1.207   1.949
 1346TIP3   OH246688  -3.185   0.600   2.559
 1346TIP3    H146689  -3.215   0.571   2.647
 1346TIP3    H246690  -3.112   0.538   2.542
 1346TIP3   OH246691  -2.971   0.730   1.453
 1346TIP3    H146692  -2.927   0.685   1.527
 1346TIP3    H246693  -3.063   0.713   1.479
 1346TIP3   OH246694  -2.891   1.056   2.797
 1346TIP3    H146695  -2.967   1.010   2.756
 1346TIP3    H246696  -2.882   1.136   2.742
 1346TIP3   OH246697  -2.499   1.155   1.505
 1346TIP3    H146698  -2.425   1.212   1.479
 1346TIP3    H246699  -2.572   1.219   1.502
 1346TIP3   OH246700  -4.100  -0.199   2.767
 1346TIP3    H146701  -4.188  -0.161   2.751
 1346TIP3    H246702  -4.120  -0.283   2.813
 1346TIP3   OH246703  -2.869   0.593   1.692
 1346TIP3    H146704  -2.895   0.517   1.748
 1346TIP3    H246705  -2.772   0.590   1.698
 1346TIP3   OH246706  -4.129   0.973   2.613
 1346TIP3    H146707  -4.110   0.878   2.619
 1346TIP3    H246708  -4.094   1.002   2.698
 1346TIP3   OH246709  -3.544   0.835   1.309
 1346TIP3    H146710  -3.517   0.757   1.257
 1346TIP3    H246711  -3.587   0.793   1.385
 1346TIP3   OH246712  -3.663   0.785   1.582
 1346TIP3    H146713  -3.609   0.732   1.643
 1346TIP3    H246714  -3.646   0.877   1.613
 1346TIP3   OH246715  -3.986   0.527   1.613
 1346TIP3    H146716  -4.055   0.568   1.670
 1346TIP3    H246717  -3.936   0.607   1.589
 1347TIP3   OH246718  -3.209  -0.224   2.620
 1347TIP3    H146719  -3.150  -0.199   2.692
 1347TIP3    H246720  -3.260  -0.298   2.660
 1347TIP3   OH246721  -3.366   0.949   1.643
 1347TIP3    H146722  -3.448   0.999   1.660
 1347TIP3    H246723  -3.329   0.997   1.567
 1347TIP3   OH246724  -3.398  -0.074   1.842
 1347TIP3    H146725  -3.319  -0.018   1.857
 1347TIP3    H246726  -3.427  -0.092   1.934
 1347TIP3   OH246727  -3.365   0.013   2.757
 1347TIP3    H146728  -3.362   0.063   2.840
 1347TIP3    H246729  -3.316  -0.067   2.781
 1347TIP3   OH246730  -3.309  -0.363   1.924
 1347TIP3    H146731  -3.353  -0.311   1.994
 1347TIP3    H246732  -3.239  -0.301   1.899
 1347TIP3   OH246733  -3.646   1.056   1.642
 1347TIP3    H146734  -3.652   1.137   1.587
 1347TIP3    H246735  -3.657   1.092   1.732
 1347TIP3   OH246736  -3.776  -0.278   1.596
 1347TIP3    H146737  -3.763  -0.196   1.648
 1347TIP3    H246738  -3.693  -0.327   1.612
 1347TIP3   OH246739  -2.740  -0.186   2.845
 1347TIP3    H146740  -2.836  -0.174   2.832
 1347TIP3    H246741  -2.716  -0.212   2.755
 1347TIP3   OH246742  -2.890   0.197   2.245
 1347TIP3    H146743  -2.971   0.149   2.217
 1347TIP3    H246744  -2.841   0.126   2.292
 1347TIP3   OH246745  -3.931   0.812   1.497
 1347TIP3    H146746  -3.854   0.855   1.537
 1347TIP3    H246747  -3.887   0.757   1.431
 1348TIP3   OH246748  -4.117   0.026   1.418
 1348TIP3    H146749  -4.111   0.122   1.431
 1348TIP3    H246750  -4.187   0.015   1.352
 1348TIP3   OH246751  -2.787   1.082   2.388
 1348TIP3    H146752  -2.805   1.163   2.336
 1348TIP3    H246753  -2.695   1.097   2.412
 1348TIP3   OH246754  -4.028  -0.474   2.283
 1348TIP3    H146755  -4.061  -0.479   2.192
 1348TIP3    H246756  -4.065  -0.555   2.324
 1348TIP3   OH246757  -4.135   0.904   1.918
 1348TIP3    H146758  -4.225   0.932   1.899
 1348TIP3    H246759  -4.092   0.920   1.834
 1348TIP3   OH246760  -4.213   1.167   3.032
 1348TIP3    H146761  -4.151   1.169   3.106
 1348TIP3    H246762  -4.215   1.071   3.019
 1348TIP3   OH246763  -3.723   1.084   3.203
 1348TIP3    H146764  -3.658   1.017   3.229
 1348TIP3    H246765  -3.750   1.051   3.116
 1348TIP3   OH246766  -3.323   1.004   1.356
 1348TIP3    H146767  -3.402   0.946   1.349
 1348TIP3    H246768  -3.255   0.943   1.325
 1348TIP3   OH246769  -3.080   0.906   3.064
 1348TIP3    H146770  -3.118   0.825   3.103
 1348TIP3    H246771  -3.011   0.929   3.129
 1348TIP3   OH246772  -2.859   0.996   1.371
 1348TIP3    H146773  -2.842   0.916   1.424
 1348TIP3    H246774  -2.779   0.999   1.316
 1348TIP3   OH246775  -4.199   0.572   3.095
 1348TIP3    H146776  -4.188   0.481   3.065
 1348TIP3    H246777  -4.287   0.595   3.063
 1349TIP3   OH246778  -3.781   0.579   1.343
 1349TIP3    H146779  -3.762   0.519   1.417
 1349TIP3    H246780  -3.697   0.575   1.294
 1349TIP3   OH246781  -3.539   0.556   3.075
 1349TIP3    H146782  -3.569   0.587   2.987
 1349TIP3    H246783  -3.530   0.459   3.061
 1349TIP3   OH246784  -3.254   0.715   1.303
 1349TIP3    H146785  -3.259   0.707   1.400
 1349TIP3    H246786  -3.258   0.619   1.280
 1349TIP3   OH246787  -3.001   0.517   2.813
 1349TIP3    H146788  -2.924   0.572   2.795
 1349TIP3    H246789  -3.073   0.583   2.812
 1349TIP3   OH246790  -4.134   0.246   3.072
 1349TIP3    H146791  -4.056   0.188   3.060
 1349TIP3    H246792  -4.124   0.269   3.165
 1349TIP3   OH246793  -3.674   0.387   1.576
 1349TIP3    H146794  -3.733   0.335   1.631
 1349TIP3    H246795  -3.642   0.319   1.512
 1349TIP3   OH246796  -3.752   0.162   2.798
 1349TIP3    H146797  -3.803   0.242   2.820
 1349TIP3    H246798  -3.683   0.199   2.739
 1349TIP3   OH246799  -3.576   0.188   1.401
 1349TIP3    H146800  -3.580   0.197   1.304
 1349TIP3    H246801  -3.479   0.187   1.416
 1349TIP3   OH246802  -3.219   0.434   3.156
 1349TIP3    H146803  -3.129   0.414   3.128
 1349TIP3    H246804  -3.245   0.350   3.197
 1349TIP3   OH246805  -2.631   0.442   1.331
 1349TIP3    H146806  -2.629   0.394   1.247
 1349TIP3    H246807  -2.592   0.526   1.305
 1350TIP3   OH246808  -3.692  -0.108   2.916
 1350TIP3    H146809  -3.684  -0.175   2.845
 1350TIP3    H246810  -3.711  -0.028   2.865
 1350TIP3   OH246811  -3.659  -0.257   2.663
 1350TIP3    H146812  -3.606  -0.212   2.595
 1350TIP3    H246813  -3.749  -0.257   2.625
 1350TIP3   OH246814  -3.503   0.284   2.700
 1350TIP3    H146815  -3.419   0.274   2.653
 1350TIP3    H246816  -3.532   0.372   2.669
 1350TIP3   OH246817  -3.044   0.077   3.177
 1350TIP3    H146818  -3.024  -0.017   3.194
 1350TIP3    H246819  -2.955   0.115   3.175
 1350TIP3   OH246820  -2.947   0.357   3.027
 1350TIP3    H146821  -2.982   0.417   2.959
 1350TIP3    H246822  -2.859   0.338   2.990
 1350TIP3   OH246823  -3.880   0.084   3.087
 1350TIP3    H146824  -3.931   0.001   3.094
 1350TIP3    H246825  -3.796   0.052   3.049
 1350TIP3   OH246826  -3.581  -0.526   2.688
 1350TIP3    H146827  -3.610  -0.434   2.676
 1350TIP3    H246828  -3.652  -0.578   2.648
 1350TIP3   OH246829  -3.460  -0.069   3.074
 1350TIP3    H146830  -3.492  -0.094   3.162
 1350TIP3    H246831  -3.539  -0.091   3.021
 1350TIP3   OH246832  -3.204  -0.166   2.960
 1350TIP3    H146833  -3.292  -0.163   3.001
 1350TIP3    H246834  -3.158  -0.230   3.018
 1350TIP3   OH246835  -3.019  -0.317   3.133
 1350TIP3    H146836  -3.036  -0.413   3.148
 1350TIP3    H246837  -3.039  -0.278   3.220
 1351TIP3   OH246838  -4.018  -0.174   3.076
 1351TIP3    H146839  -4.016  -0.249   3.014
 1351TIP3    H246840  -4.030  -0.220   3.162
 1351TIP3   OH246841  -3.595  -0.577   2.977
 1351TIP3    H146842  -3.542  -0.659   2.982
 1351TIP3    H246843  -3.604  -0.570   2.880
 1351TIP3   OH246844  -3.504  -0.390   3.162
 1351TIP3    H146845  -3.529  -0.452   3.091
 1351TIP3    H246846  -3.579  -0.329   3.163
 1351TIP3   OH246847  -3.600   1.311   1.511
 1351TIP3    H146848  -3.504   1.323   1.522
 1351TIP3    H246849  -3.614   1.356   1.426
 1351TIP3   OH246850  -4.199   0.801   1.421
 1351TIP3    H146851  -4.119   0.793   1.476
 1351TIP3    H246852  -4.215   0.709   1.395
 1351TIP3   OH246853  -4.299   1.087   2.146
 1351TIP3    H146854  -4.281   0.996   2.179
 1351TIP3    H246855  -4.242   1.135   2.208
 1351TIP3   OH246856  -2.516   1.197   2.438
 1351TIP3    H146857  -2.500   1.198   2.533
 1351TIP3    H246858  -2.432   1.229   2.403
 1351TIP3   OH246859  -2.526   1.144   2.724
 1351TIP3    H146860  -2.578   1.069   2.690
 1351TIP3    H246861  -2.471   1.099   2.790
 1351TIP3   OH246862  -2.725   0.686   3.154
 1351TIP3    H146863  -2.814   0.693   3.193
 1351TIP3    H246864  -2.681   0.766   3.186
 1351TIP3   OH246865  -2.586   0.592   1.734
 1351TIP3    H146866  -2.491   0.616   1.741
 1351TIP3    H246867  -2.587   0.512   1.788
 1352TIP3   OH246868  -2.498   0.367   1.982
 1352TIP3    H146869  -2.586   0.336   1.954
 1352TIP3    H246870  -2.502   0.340   2.074
 1352TIP3   OH246871  -2.561   0.617   2.426
 1352TIP3    H146872  -2.501   0.573   2.363
 1352TIP3    H246873  -2.556   0.709   2.395
 1352TIP3   OH246874  -2.696   0.913   2.647
 1352TIP3    H146875  -2.768   0.955   2.698
 1352TIP3    H246876  -2.743   0.879   2.569
 1352TIP3   OH246877  -2.536   0.318   1.602
 1352TIP3    H146878  -2.555   0.332   1.508
 1352TIP3    H246879  -2.491   0.400   1.624
 1352TIP3   OH246880  -2.698   0.084   1.398
 1352TIP3    H146881  -2.645   0.126   1.328
 1352TIP3    H246882  -2.704  -0.007   1.366
 1352TIP3   OH246883  -2.735   0.191   2.006
 1352TIP3    H146884  -2.746   0.098   1.980
 1352TIP3    H246885  -2.781   0.195   2.091
 1352TIP3   OH246886  -4.254   0.439   2.406
 1352TIP3    H146887  -4.224   0.455   2.316
 1352TIP3    H246888  -4.175   0.395   2.444
 1352TIP3   OH246889  -2.686   0.378   2.917
 1352TIP3    H146890  -2.614   0.316   2.939
 1352TIP3    H246891  -2.640   0.462   2.905
 1352TIP3   OH246892  -2.530   0.189   3.040
 1352TIP3    H146893  -2.609   0.136   3.020
 1352TIP3    H246894  -2.460   0.121   3.040
 1352TIP3   OH246895  -2.739  -0.203   1.360
 1352TIP3    H146896  -2.669  -0.259   1.395
 1352TIP3    H246897  -2.806  -0.269   1.341
 1353TIP3   OH246898  -2.775  -0.056   1.820
 1353TIP3    H146899  -2.744  -0.149   1.829
 1353TIP3    H246900  -2.697  -0.017   1.777
 1353TIP3   OH246901  -2.737   0.000   2.367
 1353TIP3    H146902  -2.640   0.001   2.364
 1353TIP3    H246903  -2.751  -0.002   2.463
 1353TIP3   OH246904  -2.719   0.067   2.649
 1353TIP3    H146905  -2.805   0.103   2.677
 1353TIP3    H246906  -2.669   0.147   2.628
 1353TIP3   OH246907  -4.285  -0.070   3.010
 1353TIP3    H146908  -4.196  -0.108   3.015
 1353TIP3    H246909  -4.343  -0.145   3.032
 1353TIP3   OH246910  -2.464  -0.518   3.179
 1353TIP3    H146911  -2.422  -0.588   3.125
 1353TIP3    H246912  -2.461  -0.441   3.120
 1353TIP3   OH246913  -2.713  -0.333   1.827
 1353TIP3    H146914  -2.701  -0.373   1.914
 1353TIP3    H246915  -2.785  -0.386   1.789
 1353TIP3   OH246916  -4.194  -0.213   2.322
 1353TIP3    H146917  -4.161  -0.304   2.327
 1353TIP3    H246918  -4.115  -0.161   2.344
 1353TIP3   OH246919  -4.332   0.047   2.412
 1353TIP3    H146920  -4.294  -0.010   2.344
 1353TIP3    H246921  -4.304   0.134   2.382
 1353TIP3   OH246922  -2.526  -0.313   3.002
 1353TIP3    H146923  -2.614  -0.273   3.009
 1353TIP3    H246924  -2.539  -0.369   2.924
 1353TIP3   OH246925  -4.315  -0.341   1.763
 1353TIP3    H146926  -4.399  -0.311   1.726
 1353TIP3    H246927  -4.255  -0.269   1.731
 1354TIP3   OH246928  -2.828   1.205   2.018
 1354TIP3    H146929  -2.782   1.180   1.936
 1354TIP3    H246930  -2.755   1.241   2.070
 1354TIP3   OH246931  -4.294  -0.442   2.598
 1354TIP3    H146932  -4.360  -0.453   2.671
 1354TIP3    H246933  -4.343  -0.397   2.527
 1354TIP3   OH246934  -4.121   0.910   3.068
 1354TIP3    H146935  -4.168   0.844   3.016
 1354TIP3    H246936  -4.133   0.875   3.159
 1354TIP3   OH246937  -3.802   0.974   2.659
 1354TIP3    H146938  -3.831   1.059   2.622
 1354TIP3    H246939  -3.706   0.981   2.641
 1354TIP3   OH246940  -3.353   1.106   2.959
 1354TIP3    H146941  -3.338   1.086   3.053
 1354TIP3    H246942  -3.268   1.148   2.934
 1354TIP3   OH246943  -3.123   1.249   2.882
 1354TIP3    H146944  -3.053   1.185   2.861
 1354TIP3    H246945  -3.092   1.281   2.969
 1354TIP3   OH246946  -2.644  -0.491   2.801
 1354TIP3    H146947  -2.722  -0.468   2.747
 1354TIP3    H246948  -2.622  -0.581   2.767
 1354TIP3   OH246949  -4.066   1.288   2.680
 1354TIP3    H146950  -4.139   1.332   2.633
 1354TIP3    H246951  -4.102   1.280   2.768
 1354TIP3   OH246952  -3.812   1.247   2.554
 1354TIP3    H146953  -3.901   1.266   2.591
 1354TIP3    H246954  -3.806   1.309   2.479
 1354TIP3   OH246955  -3.349   1.246   2.506
 1354TIP3    H146956  -3.381   1.290   2.425
 1354TIP3    H246957  -3.331   1.322   2.565
 1355TIP3   OH246958  -3.109   1.118   2.593
 1355TIP3    H146959  -3.194   1.154   2.562
 1355TIP3    H246960  -3.052   1.196   2.592
 1355TIP3   OH246961  -2.856   1.290   2.612
 1355TIP3    H146962  -2.859   1.386   2.591
 1355TIP3    H246963  -2.826   1.254   2.526
 1355TIP3   OH246964  -4.124   1.153   2.379
 1355TIP3    H146965  -4.134   1.107   2.465
 1355TIP3    H246966  -4.047   1.106   2.341
 1355TIP3   OH246967  -3.911   1.028   2.233
 1355TIP3    H146968  -3.926   0.935   2.259
 1355TIP3    H246969  -3.819   1.043   2.263
 1355TIP3   OH246970  -3.632   1.070   2.318
 1355TIP3    H146971  -3.613   0.977   2.294
 1355TIP3    H246972  -3.623   1.066   2.414
 1355TIP3   OH246973  -3.297  -0.340   2.240
 1355TIP3    H146974  -3.363  -0.409   2.264
 1355TIP3    H246975  -3.235  -0.391   2.185
 1355TIP3   OH246976  -2.806  -0.589   2.275
 1355TIP3    H146977  -2.724  -0.542   2.250
 1355TIP3    H246978  -2.875  -0.531   2.239
 1355TIP3   OH246979  -2.595  -0.429   2.087
 1355TIP3    H146980  -2.527  -0.475   2.033
 1355TIP3    H246981  -2.560  -0.338   2.089
 1355TIP3   OH246982  -4.106  -0.483   1.999
 1355TIP3    H146983  -4.180  -0.513   1.944
 1355TIP3    H246984  -4.045  -0.559   1.992
 1355TIP3   OH246985  -4.182  -0.523   1.583
 1355TIP3    H146986  -4.130  -0.457   1.533
 1355TIP3    H246987  -4.233  -0.465   1.643
 1356TIP3   OH246988  -3.613  -0.481   1.988
 1356TIP3    H146989  -3.519  -0.463   1.979
 1356TIP3    H246990  -3.620  -0.493   2.083
 1356TIP3   OH246991  -3.049  -0.491   2.135
 1356TIP3    H146992  -3.042  -0.491   2.039
 1356TIP3    H246993  -3.092  -0.576   2.154
 1356TIP3   OH246994  -2.954  -0.479   1.742
 1356TIP3    H146995  -3.033  -0.446   1.698
 1356TIP3    H246996  -2.972  -0.575   1.747
 1356TIP3   OH246997  -4.200   1.081   1.694
 1356TIP3    H146998  -4.248   1.061   1.613
 1356TIP3    H246999  -4.182   1.176   1.683
 1356TIP3   OH247000  -4.006  -0.337   1.441
 1356TIP3    H147001  -3.949  -0.391   1.384
 1356TIP3    H247002  -3.941  -0.307   1.508
 1356TIP3   OH247003  -3.446  -0.313   1.659
 1356TIP3    H147004  -3.464  -0.379   1.728
 1356TIP3    H247005  -3.469  -0.231   1.706
 1356TIP3   OH247006  -3.295   1.258   1.520
 1356TIP3    H147007  -3.197   1.258   1.516
 1356TIP3    H247008  -3.314   1.192   1.451
 1356TIP3   OH247009  -2.648   1.162   1.779
 1356TIP3    H147010  -2.667   1.077   1.734
 1356TIP3    H247011  -2.642   1.221   1.702
 1356TIP3   OH247012  -4.079  -0.440   2.958
 1356TIP3    H147013  -4.125  -0.518   2.993
 1356TIP3    H247014  -3.987  -0.461   2.982
 1356TIP3   OH247015  -3.841  -0.507   3.132
 1356TIP3    H147016  -3.760  -0.544   3.091
 1356TIP3    H247017  -3.877  -0.586   3.174
 1357TIP3   OH247018  -4.013   1.178   1.385
 1357TIP3    H147019  -4.037   1.200   1.476
 1357TIP3    H247020  -3.941   1.113   1.397
 1357TIP3   OH247021  -3.031  -0.598   3.146
 1357TIP3    H147022  -3.028  -0.638   3.235
 1357TIP3    H247023  -2.937  -0.600   3.121
 1357TIP3   OH247024  -2.691   1.038   3.013
 1357TIP3    H147025  -2.767   1.018   2.956
 1357TIP3    H247026  -2.711   1.131   3.037
 1357TIP3   OH247027  -1.392   0.352   2.317
 1357TIP3    H147028  -1.394   0.321   2.409
 1357TIP3    H247029  -1.430   0.273   2.274
 1357TIP3   OH247030  -2.142   0.311   2.499
 1357TIP3    H147031  -2.151   0.235   2.559
 1357TIP3    H247032  -2.073   0.362   2.544
 1357TIP3   OH247033  -0.994   0.631   2.183
 1357TIP3    H147034  -1.013   0.555   2.239
 1357TIP3    H247035  -0.948   0.690   2.243
 1357TIP3   OH247036  -2.066   0.764   2.360
 1357TIP3    H147037  -2.100   0.678   2.331
 1357TIP3    H247038  -1.973   0.745   2.378
 1357TIP3   OH247039  -2.377   0.129   1.910
 1357TIP3    H147040  -2.434   0.202   1.881
 1357TIP3    H247041  -2.422   0.054   1.866
 1357TIP3   OH247042  -1.314   1.155   2.221
 1357TIP3    H147043  -1.268   1.079   2.182
 1357TIP3    H247044  -1.335   1.125   2.310
 1357TIP3   OH247045  -0.664  -0.265   2.467
 1357TIP3    H147046  -0.671  -0.200   2.540
 1357TIP3    H247047  -0.711  -0.225   2.393
 1358TIP3   OH247048  -1.207   0.028   2.432
 1358TIP3    H147049  -1.223  -0.066   2.451
 1358TIP3    H247050  -1.233   0.035   2.339
 1358TIP3   OH247051  -1.923  -0.164   2.152
 1358TIP3    H147052  -1.891  -0.088   2.102
 1358TIP3    H247053  -1.943  -0.226   2.079
 1358TIP3   OH247054  -2.236   0.157   2.176
 1358TIP3    H147055  -2.191   0.106   2.246
 1358TIP3    H247056  -2.252   0.086   2.110
 1358TIP3   OH247057  -1.713   0.249   2.161
 1358TIP3    H147058  -1.644   0.187   2.192
 1358TIP3    H247059  -1.763   0.190   2.101
 1358TIP3   OH247060  -0.607  -0.100   2.691
 1358TIP3    H147061  -0.676  -0.031   2.684
 1358TIP3    H247062  -0.607  -0.115   2.787
 1358TIP3   OH247063  -2.031  -0.279   2.565
 1358TIP3    H147064  -2.076  -0.237   2.490
 1358TIP3    H247065  -2.098  -0.270   2.635
 1358TIP3   OH247066  -2.078  -0.071   2.356
 1358TIP3    H147067  -2.006  -0.023   2.401
 1358TIP3    H247068  -2.026  -0.113   2.283
 1358TIP3   OH247069  -1.896   0.662   2.637
 1358TIP3    H147070  -1.926   0.750   2.608
 1358TIP3    H247071  -1.979   0.628   2.674
 1358TIP3   OH247072  -2.319   0.650   1.750
 1358TIP3    H147073  -2.290   0.666   1.659
 1358TIP3    H247074  -2.280   0.723   1.800
 1358TIP3   OH247075  -0.968   0.811   2.436
 1358TIP3    H147076  -1.061   0.827   2.421
 1358TIP3    H247077  -0.928   0.891   2.396
 1359TIP3   OH247078  -0.958  -0.299   2.569
 1359TIP3    H147079  -1.029  -0.245   2.533
 1359TIP3    H247080  -0.895  -0.305   2.496
 1359TIP3   OH247081  -1.604  -0.529   2.278
 1359TIP3    H147082  -1.628  -0.623   2.267
 1359TIP3    H247083  -1.687  -0.489   2.309
 1359TIP3   OH247084  -1.126   0.971   2.044
 1359TIP3    H147085  -1.061   0.902   2.024
 1359TIP3    H247086  -1.069   1.049   2.053
 1359TIP3   OH247087  -0.846   0.665   2.784
 1359TIP3    H147088  -0.844   0.600   2.711
 1359TIP3    H247089  -0.823   0.748   2.739
 1359TIP3   OH247090  -0.657   0.264   2.553
 1359TIP3    H147091  -0.714   0.340   2.575
 1359TIP3    H247092  -0.600   0.301   2.483
 1359TIP3   OH247093  -1.077   0.210   2.744
 1359TIP3    H147094  -1.073   0.286   2.803
 1359TIP3    H247095  -1.144   0.242   2.681
 1359TIP3   OH247096  -1.918   0.428   2.045
 1359TIP3    H147097  -1.917   0.412   1.950
 1359TIP3    H247098  -1.839   0.379   2.075
 1359TIP3   OH247099  -1.746   0.746   2.324
 1359TIP3    H147100  -1.775   0.739   2.231
 1359TIP3    H247101  -1.653   0.722   2.317
 1359TIP3   OH247102  -1.843   0.351   2.397
 1359TIP3    H147103  -1.787   0.326   2.321
 1359TIP3    H247104  -1.781   0.386   2.461
 1359TIP3   OH247105  -1.284   0.862   2.463
 1359TIP3    H147106  -1.251   0.939   2.512
 1359TIP3    H247107  -1.249   0.787   2.512
 1360TIP3   OH247108  -1.753   0.752   2.865
 1360TIP3    H147109  -1.799   0.812   2.927
 1360TIP3    H247110  -1.828   0.723   2.810
 1360TIP3   OH247111  -2.062   0.395   2.779
 1360TIP3    H147112  -2.059   0.444   2.864
 1360TIP3    H247113  -2.157   0.372   2.776
 1360TIP3   OH247114  -1.947   0.963   2.950
 1360TIP3    H147115  -1.963   0.960   2.855
 1360TIP3    H247116  -2.034   0.939   2.987
 1360TIP3   OH247117  -2.397   0.575   2.664
 1360TIP3    H147118  -2.451   0.576   2.583
 1360TIP3    H247119  -2.389   0.479   2.683
 1360TIP3   OH247120  -2.395   0.866   2.361
 1360TIP3    H147121  -2.301   0.843   2.371
 1360TIP3    H247122  -2.406   0.930   2.432
 1360TIP3   OH247123  -0.556   0.933   2.938
 1360TIP3    H147124  -0.563   0.839   2.917
 1360TIP3    H247125  -0.648   0.954   2.966
 1360TIP3   OH247126  -1.500   0.846   2.808
 1360TIP3    H147127  -1.473   0.922   2.865
 1360TIP3    H247128  -1.579   0.816   2.860
 1360TIP3   OH247129  -2.071   1.154   1.968
 1360TIP3    H147130  -2.049   1.100   2.046
 1360TIP3    H247131  -2.142   1.104   1.927
 1360TIP3   OH247132  -1.162   1.150   1.798
 1360TIP3    H147133  -1.258   1.155   1.800
 1360TIP3    H247134  -1.144   1.072   1.853
 1360TIP3   OH247135  -0.877   0.064   2.977
 1360TIP3    H147136  -0.931   0.101   2.905
 1360TIP3    H247137  -0.873  -0.030   2.951
 1361TIP3   OH247138  -2.159   0.727   2.777
 1361TIP3    H147139  -2.139   0.689   2.865
 1361TIP3    H247140  -2.241   0.680   2.754
 1361TIP3   OH247141  -1.859  -0.423   2.371
 1361TIP3    H147142  -1.932  -0.433   2.309
 1361TIP3    H247143  -1.892  -0.350   2.425
 1361TIP3   OH247144  -1.425  -0.455   2.738
 1361TIP3    H147145  -1.371  -0.511   2.797
 1361TIP3    H247146  -1.514  -0.495   2.745
 1361TIP3   OH247147  -1.109  -0.083   2.784
 1361TIP3    H147148  -1.171  -0.105   2.856
 1361TIP3    H247149  -1.120   0.013   2.774
 1361TIP3   OH247150  -1.875   0.063   2.508
 1361TIP3    H147151  -1.937   0.061   2.583
 1361TIP3    H247152  -1.883   0.154   2.476
 1361TIP3   OH247153  -1.891   0.089   1.986
 1361TIP3    H147154  -1.978   0.047   1.971
 1361TIP3    H247155  -1.846   0.066   1.901
 1361TIP3   OH247156  -1.404   0.140   3.007
 1361TIP3    H147157  -1.453   0.064   3.046
 1361TIP3    H247158  -1.316   0.128   3.048
 1361TIP3   OH247159  -1.238   0.099   2.098
 1361TIP3    H147160  -1.265   0.127   2.010
 1361TIP3    H247161  -1.249   0.002   2.091
 1361TIP3   OH247162  -2.140   0.076   2.691
 1361TIP3    H147163  -2.115   0.100   2.781
 1361TIP3    H247164  -2.177  -0.013   2.706
 1361TIP3   OH247165  -2.456  -0.174   2.058
 1361TIP3    H147166  -2.389  -0.196   2.125
 1361TIP3    H247167  -2.420  -0.212   1.975
 1362TIP3   OH247168  -2.276  -0.120   1.592
 1362TIP3    H147169  -2.252  -0.061   1.520
 1362TIP3    H247170  -2.364  -0.092   1.617
 1362TIP3   OH247171  -1.336   0.226   2.595
 1362TIP3    H147172  -1.290   0.157   2.542
 1362TIP3    H247173  -1.370   0.171   2.668
 1362TIP3   OH247174  -1.593  -0.146   2.124
 1362TIP3    H147175  -1.665  -0.189   2.076
 1362TIP3    H247176  -1.556  -0.220   2.173
 1362TIP3   OH247177  -2.142  -0.058   1.964
 1362TIP3    H147178  -2.226  -0.048   1.916
 1362TIP3    H247179  -2.106  -0.139   1.922
 1362TIP3   OH247180  -1.776   0.034   1.739
 1362TIP3    H147181  -1.721  -0.046   1.723
 1362TIP3    H247182  -1.792   0.065   1.649
 1362TIP3   OH247183  -0.873   1.313   3.066
 1362TIP3    H147184  -0.849   1.359   2.984
 1362TIP3    H247185  -0.803   1.344   3.126
 1362TIP3   OH247186  -2.072   0.576   3.010
 1362TIP3    H147187  -2.008   0.584   3.084
 1362TIP3    H247188  -2.155   0.575   3.062
 1362TIP3   OH247189  -1.488   0.086   2.290
 1362TIP3    H147190  -1.469   0.024   2.217
 1362TIP3    H247191  -1.519   0.022   2.358
 1362TIP3   OH247192  -1.965  -0.278   1.889
 1362TIP3    H147193  -2.013  -0.361   1.878
 1362TIP3    H247194  -1.884  -0.296   1.838
 1362TIP3   OH247195  -1.600  -0.071   2.501
 1362TIP3    H147196  -1.685  -0.025   2.509
 1362TIP3    H247197  -1.556  -0.052   2.585
 1363TIP3   OH247198  -0.870   0.474   2.568
 1363TIP3    H147199  -0.815   0.525   2.505
 1363TIP3    H247200  -0.954   0.465   2.518
 1363TIP3   OH247201  -2.106   0.464   2.239
 1363TIP3    H147202  -2.023   0.474   2.188
 1363TIP3    H247203  -2.075   0.412   2.315
 1363TIP3   OH247204  -2.351   0.327   2.804
 1363TIP3    H147205  -2.337   0.285   2.891
 1363TIP3    H247206  -2.414   0.267   2.761
 1363TIP3   OH247207  -1.654   0.285   2.997
 1363TIP3    H147208  -1.694   0.245   2.918
 1363TIP3    H247209  -1.564   0.249   2.995
 1363TIP3   OH247210  -1.208   0.806   2.777
 1363TIP3    H147211  -1.299   0.838   2.777
 1363TIP3    H247212  -1.175   0.843   2.862
 1363TIP3   OH247213  -0.606   0.627   2.934
 1363TIP3    H147214  -0.698   0.653   2.914
 1363TIP3    H247215  -0.569   0.614   2.844
 1363TIP3   OH247216  -1.107   0.417   2.384
 1363TIP3    H147217  -1.196   0.379   2.377
 1363TIP3    H247218  -1.055   0.345   2.341
 1363TIP3   OH247219  -1.837   0.839   2.035
 1363TIP3    H147220  -1.780   0.882   1.970
 1363TIP3    H247221  -1.920   0.836   1.985
 1363TIP3   OH247222  -2.239   0.347   1.526
 1363TIP3    H147223  -2.161   0.386   1.484
 1363TIP3    H247224  -2.295   0.333   1.449
 1363TIP3   OH247225  -1.626   1.002   2.600
 1363TIP3    H147226  -1.591   1.087   2.567
 1363TIP3    H247227  -1.578   0.996   2.684
 1364TIP3   OH247228  -1.336   0.588   2.583
 1364TIP3    H147229  -1.294   0.580   2.670
 1364TIP3    H247230  -1.269   0.542   2.530
 1364TIP3   OH247231  -1.008   1.057   2.797
 1364TIP3    H147232  -1.083   1.019   2.748
 1364TIP3    H247233  -0.990   1.138   2.746
 1364TIP3   OH247234  -2.220  -0.205   2.765
 1364TIP3    H147235  -2.312  -0.182   2.740
 1364TIP3    H247236  -2.233  -0.292   2.806
 1364TIP3   OH247237  -2.241   0.966   2.607
 1364TIP3    H147238  -2.211   0.877   2.630
 1364TIP3    H247239  -2.228   1.012   2.691
 1364TIP3   OH247240  -1.313  -0.211   2.601
 1364TIP3    H147241  -1.248  -0.199   2.671
 1364TIP3    H247242  -1.363  -0.289   2.632
 1364TIP3   OH247243  -1.467   0.023   2.755
 1364TIP3    H147244  -1.465   0.062   2.845
 1364TIP3    H247245  -1.429  -0.064   2.773
 1364TIP3   OH247246  -0.854  -0.185   2.843
 1364TIP3    H147247  -0.950  -0.177   2.830
 1364TIP3    H247248  -0.829  -0.215   2.754
 1364TIP3   OH247249  -1.006   0.202   2.239
 1364TIP3    H147250  -1.071   0.159   2.181
 1364TIP3    H247251  -0.948   0.126   2.260
 1364TIP3   OH247252  -0.903   1.085   2.390
 1364TIP3    H147253  -0.919   1.166   2.337
 1364TIP3    H247254  -0.809   1.099   2.411
 1364TIP3   OH247255  -2.146  -0.466   2.287
 1364TIP3    H147256  -2.159  -0.470   2.189
 1364TIP3    H247257  -2.178  -0.553   2.315
 1365TIP3   OH247258  -2.247   0.879   1.918
 1365TIP3    H147259  -2.328   0.929   1.933
 1365TIP3    H247260  -2.210   0.926   1.842
 1365TIP3   OH247261  -2.308   1.171   3.025
 1365TIP3    H147262  -2.254   1.147   3.103
 1365TIP3    H247263  -2.351   1.086   3.003
 1365TIP3   OH247264  -1.842   1.081   3.205
 1365TIP3    H147265  -1.775   1.016   3.230
 1365TIP3    H247266  -1.864   1.052   3.115
 1365TIP3   OH247267  -1.191   0.902   3.060
 1365TIP3    H147268  -1.231   0.825   3.105
 1365TIP3    H247269  -1.125   0.930   3.126
 1365TIP3   OH247270  -2.314   0.536   3.139
 1365TIP3    H147271  -2.307   0.445   3.109
 1365TIP3    H247272  -2.392   0.567   3.089
 1365TIP3   OH247273  -1.650   0.559   3.074
 1365TIP3    H147274  -1.683   0.586   2.987
 1365TIP3    H247275  -1.634   0.463   3.061
 1365TIP3   OH247276  -1.129   0.528   2.803
 1365TIP3    H147277  -1.037   0.557   2.790
 1365TIP3    H247278  -1.170   0.614   2.825
 1365TIP3   OH247279  -2.228   0.252   3.057
 1365TIP3    H147280  -2.158   0.184   3.058
 1365TIP3    H247281  -2.235   0.272   3.151
 1365TIP3   OH247282  -1.860   0.161   2.802
 1365TIP3    H147283  -1.917   0.236   2.828
 1365TIP3    H247284  -1.805   0.201   2.733
 1365TIP3   OH247285  -1.332   0.432   3.156
 1365TIP3    H147286  -1.240   0.412   3.133
 1365TIP3    H247287  -1.358   0.350   3.201
 1366TIP3   OH247288  -1.803  -0.108   2.915
 1366TIP3    H147289  -1.799  -0.176   2.845
 1366TIP3    H247290  -1.829  -0.029   2.864
 1366TIP3   OH247291  -1.774  -0.255   2.663
 1366TIP3    H147292  -1.721  -0.217   2.591
 1366TIP3    H247293  -1.863  -0.262   2.624
 1366TIP3   OH247294  -1.632   0.308   2.671
 1366TIP3    H147295  -1.542   0.279   2.646
 1366TIP3    H247296  -1.636   0.398   2.641
 1366TIP3   OH247297  -1.158   0.077   3.176
 1366TIP3    H147298  -1.140  -0.016   3.194
 1366TIP3    H247299  -1.069   0.114   3.175
 1366TIP3   OH247300  -1.061   0.356   3.023
 1366TIP3    H147301  -1.095   0.419   2.957
 1366TIP3    H247302  -0.970   0.341   2.990
 1366TIP3   OH247303  -1.983   0.078   3.089
 1366TIP3    H147304  -2.038  -0.002   3.097
 1366TIP3    H247305  -1.901   0.041   3.052
 1366TIP3   OH247306  -1.699  -0.527   2.697
 1366TIP3    H147307  -1.717  -0.433   2.680
 1366TIP3    H247308  -1.766  -0.571   2.640
 1366TIP3   OH247309  -1.575  -0.067   3.073
 1366TIP3    H147310  -1.606  -0.093   3.162
 1366TIP3    H247311  -1.655  -0.092   3.021
 1366TIP3   OH247312  -1.319  -0.164   2.961
 1366TIP3    H147313  -1.408  -0.166   3.001
 1366TIP3    H247314  -1.272  -0.230   3.016
 1366TIP3   OH247315  -1.133  -0.317   3.133
 1366TIP3    H147316  -1.149  -0.412   3.146
 1366TIP3    H247317  -1.154  -0.277   3.219
 1367TIP3   OH247318  -2.117  -0.177   3.078
 1367TIP3    H147319  -2.126  -0.249   3.013
 1367TIP3    H247320  -2.139  -0.225   3.161
 1367TIP3   OH247321  -1.714  -0.578   2.977
 1367TIP3    H147322  -1.656  -0.656   2.982
 1367TIP3    H247323  -1.717  -0.565   2.881
 1367TIP3   OH247324  -1.619  -0.390   3.161
 1367TIP3    H147325  -1.647  -0.451   3.090
 1367TIP3    H247326  -1.693  -0.327   3.165
 1367TIP3   OH247327  -1.674   1.264   1.510
 1367TIP3    H147328  -1.587   1.302   1.525
 1367TIP3    H247329  -1.711   1.329   1.448
 1367TIP3   OH247330  -2.291   0.741   1.451
 1367TIP3    H147331  -2.193   0.741   1.449
 1367TIP3    H247332  -2.303   0.664   1.392
 1367TIP3   OH247333  -2.427   1.273   1.941
 1367TIP3    H147334  -2.496   1.232   1.884
 1367TIP3    H247335  -2.412   1.202   2.006
 1367TIP3   OH247336  -2.386   1.074   2.138
 1367TIP3    H147337  -2.413   0.986   2.168
 1367TIP3    H247338  -2.348   1.109   2.220
 1367TIP3   OH247339  -0.632   1.203   2.440
 1367TIP3    H147340  -0.606   1.192   2.533
 1367TIP3    H247341  -0.547   1.223   2.397
 1367TIP3   OH247342  -0.642   1.160   2.735
 1367TIP3    H147343  -0.691   1.085   2.696
 1367TIP3    H247344  -0.583   1.111   2.794
 1367TIP3   OH247345  -0.841   0.689   3.152
 1367TIP3    H147346  -0.928   0.694   3.196
 1367TIP3    H247347  -0.795   0.766   3.186
 1368TIP3   OH247348  -0.680   0.618   2.421
 1368TIP3    H147349  -0.621   0.570   2.361
 1368TIP3    H247350  -0.661   0.710   2.397
 1368TIP3   OH247351  -0.804   0.919   2.655
 1368TIP3    H147352  -0.877   0.958   2.707
 1368TIP3    H247353  -0.850   0.882   2.578
 1368TIP3   OH247354  -2.376   0.395   2.358
 1368TIP3    H147355  -2.330   0.381   2.275
 1368TIP3    H247356  -2.300   0.384   2.418
 1368TIP3   OH247357  -0.800   0.379   2.917
 1368TIP3    H147358  -0.729   0.315   2.939
 1368TIP3    H247359  -0.750   0.461   2.905
 1368TIP3   OH247360  -0.647   0.189   3.044
 1368TIP3    H147361  -0.724   0.132   3.021
 1368TIP3    H247362  -0.574   0.125   3.040
 1368TIP3   OH247363  -0.841  -0.013   2.374
 1368TIP3    H147364  -0.765   0.045   2.367
 1368TIP3    H247365  -0.870   0.004   2.466
 1368TIP3   OH247366  -0.836   0.067   2.646
 1368TIP3    H147367  -0.922   0.102   2.678
 1368TIP3    H247368  -0.786   0.149   2.629
 1368TIP3   OH247369  -2.384  -0.057   3.016
 1368TIP3    H147370  -2.291  -0.085   3.022
 1368TIP3    H247371  -2.430  -0.143   3.023
 1368TIP3   OH247372  -0.587  -0.533   3.186
 1368TIP3    H147373  -0.539  -0.599   3.132
 1368TIP3    H247374  -0.579  -0.453   3.131
 1368TIP3   OH247375  -2.310  -0.226   2.303
 1368TIP3    H147376  -2.264  -0.312   2.301
 1368TIP3    H247377  -2.238  -0.166   2.329
 1369TIP3   OH247378  -2.451   0.044   2.404
 1369TIP3    H147379  -2.400   0.029   2.324
 1369TIP3    H247380  -2.412   0.124   2.441
 1369TIP3   OH247381  -0.641  -0.320   3.011
 1369TIP3    H147382  -0.729  -0.278   3.012
 1369TIP3    H247383  -0.649  -0.373   2.930
 1369TIP3   OH247384  -2.403  -0.290   1.810
 1369TIP3    H147385  -2.488  -0.327   1.780
 1369TIP3    H247386  -2.348  -0.310   1.732
 1369TIP3   OH247387  -0.934   1.187   2.018
 1369TIP3    H147388  -0.892   1.171   1.931
 1369TIP3    H247389  -0.867   1.241   2.061
 1369TIP3   OH247390  -2.400  -0.431   2.626
 1369TIP3    H147391  -2.471  -0.466   2.681
 1369TIP3    H247392  -2.450  -0.384   2.557
 1369TIP3   OH247393  -2.200   0.869   3.081
 1369TIP3    H147394  -2.280   0.877   3.025
 1369TIP3    H247395  -2.237   0.868   3.170
 1369TIP3   OH247396  -1.915   0.956   2.650
 1369TIP3    H147397  -1.958   1.039   2.622
 1369TIP3    H247398  -1.821   0.980   2.637
 1369TIP3   OH247399  -1.461   1.091   2.951
 1369TIP3    H147400  -1.455   1.083   3.048
 1369TIP3    H247401  -1.383   1.147   2.932
 1369TIP3   OH247402  -1.238   1.247   2.882
 1369TIP3    H147403  -1.166   1.185   2.863
 1369TIP3    H247404  -1.210   1.282   2.968
 1369TIP3   OH247405  -0.758  -0.493   2.803
 1369TIP3    H147406  -0.838  -0.480   2.750
 1369TIP3    H247407  -0.730  -0.581   2.771
 1370TIP3   OH247408  -2.180   1.266   2.691
 1370TIP3    H147409  -2.238   1.330   2.646
 1370TIP3    H247410  -2.211   1.275   2.782
 1370TIP3   OH247411  -1.926   1.240   2.546
 1370TIP3    H147412  -2.012   1.259   2.589
 1370TIP3    H247413  -1.923   1.310   2.478
 1370TIP3   OH247414  -1.455   1.244   2.501
 1370TIP3    H147415  -1.493   1.288   2.422
 1370TIP3    H247416  -1.447   1.320   2.562
 1370TIP3   OH247417  -1.221   1.113   2.586
 1370TIP3    H147418  -1.306   1.154   2.559
 1370TIP3    H247419  -1.163   1.191   2.590
 1370TIP3   OH247420  -0.967   1.291   2.617
 1370TIP3    H147421  -0.972   1.386   2.595
 1370TIP3    H247422  -0.936   1.256   2.532
 1370TIP3   OH247423  -2.223   1.149   2.386
 1370TIP3    H147424  -2.224   1.099   2.471
 1370TIP3    H247425  -2.148   1.105   2.340
 1370TIP3   OH247426  -2.023   1.022   2.239
 1370TIP3    H147427  -2.034   0.927   2.259
 1370TIP3    H247428  -1.930   1.038   2.261
 1370TIP3   OH247429  -1.741   1.070   2.315
 1370TIP3    H147430  -1.725   0.977   2.295
 1370TIP3    H247431  -1.747   1.070   2.412
 1370TIP3   OH247432  -0.877  -0.482   2.243
 1370TIP3    H147433  -0.823  -0.489   2.163
 1370TIP3    H247434  -0.964  -0.516   2.215
 1370TIP3   OH247435  -2.188  -0.476   2.013
 1370TIP3    H147436  -2.260  -0.479   1.946
 1370TIP3    H247437  -2.132  -0.548   1.981
 1371TIP3   OH247438  -1.734  -0.475   1.997
 1371TIP3    H147439  -1.650  -0.451   1.956
 1371TIP3    H247440  -1.707  -0.511   2.083
 1371TIP3   OH247441  -1.153  -0.555   2.196
 1371TIP3    H147442  -1.183  -0.501   2.123
 1371TIP3    H247443  -1.222  -0.624   2.199
 1371TIP3   OH247444  -2.277   1.078   1.715
 1371TIP3    H147445  -2.333   1.057   1.638
 1371TIP3    H247446  -2.281   1.175   1.713
 1371TIP3   OH247447  -0.767   1.120   1.763
 1371TIP3    H147448  -0.779   1.052   1.697
 1371TIP3    H247449  -0.757   1.199   1.706
 1371TIP3   OH247450  -2.196  -0.445   2.958
 1371TIP3    H147451  -2.237  -0.527   2.992
 1371TIP3    H247452  -2.103  -0.460   2.982
 1371TIP3   OH247453  -1.957  -0.507   3.131
 1371TIP3    H147454  -1.875  -0.543   3.090
 1371TIP3    H247455  -1.992  -0.587   3.173
 1371TIP3   OH247456  -2.148   1.175   1.391
 1371TIP3    H147457  -2.157   1.197   1.485
 1371TIP3    H247458  -2.068   1.119   1.390
 1371TIP3   OH247459  -1.146  -0.596   3.147
 1371TIP3    H147460  -1.141  -0.637   3.235
 1371TIP3    H247461  -1.053  -0.600   3.118
 1371TIP3   OH247462  -0.808   1.036   3.015
 1371TIP3    H147463  -0.885   1.018   2.958
 1371TIP3    H247464  -0.825   1.129   3.039
 1371TIP3   OH247465   0.633   0.396   2.034
 1371TIP3    H147466   0.647   0.491   2.037
 1371TIP3    H247467   0.567   0.389   1.964
 1372TIP3   OH247468   0.489   0.349   2.333
 1372TIP3    H147469   0.496   0.294   2.413
 1372TIP3    H247470   0.474   0.282   2.264
 1372TIP3   OH247471  -0.261   0.313   2.502
 1372TIP3    H147472  -0.259   0.237   2.563
 1372TIP3    H247473  -0.187   0.366   2.536
 1372TIP3   OH247474   0.866   0.626   2.164
 1372TIP3    H147475   0.829   0.552   2.214
 1372TIP3    H247476   0.891   0.687   2.234
 1372TIP3   OH247477  -0.194   0.763   2.352
 1372TIP3    H147478  -0.213   0.672   2.322
 1372TIP3    H247479  -0.099   0.757   2.371
 1372TIP3   OH247480   0.575   1.160   2.226
 1372TIP3    H147481   0.631   1.086   2.195
 1372TIP3    H247482   0.544   1.127   2.311
 1372TIP3   OH247483   0.344   0.598   2.395
 1372TIP3    H147484   0.378   0.529   2.335
 1372TIP3    H247485   0.426   0.615   2.445
 1372TIP3   OH247486   1.214  -0.250   2.459
 1372TIP3    H147487   1.236  -0.186   2.529
 1372TIP3    H247488   1.272  -0.219   2.387
 1372TIP3   OH247489   0.673   0.035   2.437
 1372TIP3    H147490   0.686  -0.062   2.443
 1372TIP3    H247491   0.665   0.046   2.341
 1372TIP3   OH247492  -0.011  -0.138   2.151
 1372TIP3    H147493  -0.012  -0.079   2.076
 1372TIP3    H247494   0.008  -0.226   2.111
 1372TIP3   OH247495   0.766  -0.134   1.986
 1372TIP3    H147496   0.827  -0.189   2.038
 1372TIP3    H247497   0.820  -0.105   1.912
 1373TIP3   OH247498   0.155   0.222   2.121
 1373TIP3    H147499   0.236   0.186   2.162
 1373TIP3    H247500   0.100   0.143   2.116
 1373TIP3   OH247501   1.287  -0.109   2.707
 1373TIP3    H147502   1.226  -0.039   2.677
 1373TIP3    H247503   1.261  -0.116   2.800
 1373TIP3   OH247504  -0.151  -0.271   2.552
 1373TIP3    H147505  -0.182  -0.209   2.484
 1373TIP3    H247506  -0.215  -0.256   2.624
 1373TIP3   OH247507   0.603   0.691   1.896
 1373TIP3    H147508   0.576   0.674   1.804
 1373TIP3    H247509   0.552   0.771   1.916
 1373TIP3   OH247510   0.142   0.500   2.578
 1373TIP3    H147511   0.072   0.563   2.603
 1373TIP3    H247512   0.208   0.559   2.536
 1373TIP3   OH247513   0.958  -0.238   2.188
 1373TIP3    H147514   0.899  -0.282   2.250
 1373TIP3    H247515   0.989  -0.162   2.241
 1373TIP3   OH247516  -0.184  -0.074   2.346
 1373TIP3    H147517  -0.122  -0.017   2.396
 1373TIP3    H247518  -0.119  -0.110   2.280
 1373TIP3   OH247519  -0.058   0.688   2.651
 1373TIP3    H147520  -0.058   0.780   2.620
 1373TIP3    H247521  -0.143   0.686   2.700
 1373TIP3   OH247522   0.921   0.804   2.421
 1373TIP3    H147523   0.824   0.815   2.421
 1373TIP3    H247524   0.948   0.889   2.382
 1373TIP3   OH247525   0.953  -0.305   2.572
 1373TIP3    H147526   0.874  -0.270   2.525
 1373TIP3    H247527   1.024  -0.290   2.507
 1374TIP3   OH247528   0.269  -0.532   2.288
 1374TIP3    H147529   0.249  -0.621   2.255
 1374TIP3    H247530   0.180  -0.492   2.290
 1374TIP3   OH247531   0.755   0.994   2.076
 1374TIP3    H147532   0.798   0.915   2.038
 1374TIP3    H247533   0.820   1.064   2.055
 1374TIP3   OH247534   0.900   0.774   1.906
 1374TIP3    H147535   0.833   0.729   1.854
 1374TIP3    H247536   0.901   0.720   1.987
 1374TIP3   OH247537   1.052   0.666   2.786
 1374TIP3    H147538   1.039   0.602   2.714
 1374TIP3    H247539   1.061   0.750   2.737
 1374TIP3   OH247540   0.511   0.368   1.742
 1374TIP3    H147541   0.435   0.424   1.720
 1374TIP3    H247542   0.570   0.392   1.670
 1374TIP3   OH247543   1.228   0.285   2.576
 1374TIP3    H147544   1.155   0.349   2.585
 1374TIP3    H247545   1.274   0.321   2.498
 1374TIP3   OH247546   0.810   0.210   2.748
 1374TIP3    H147547   0.816   0.293   2.798
 1374TIP3    H247548   0.748   0.239   2.679
 1374TIP3   OH247549  -0.029   0.415   2.017
 1374TIP3    H147550  -0.044   0.387   1.926
 1374TIP3    H247551   0.045   0.359   2.046
 1374TIP3   OH247552   0.116   0.766   2.316
 1374TIP3    H147553   0.116   0.739   2.223
 1374TIP3    H247554   0.199   0.727   2.348
 1374TIP3   OH247555   0.044   0.316   2.384
 1374TIP3    H147556   0.105   0.323   2.308
 1374TIP3    H247557   0.084   0.379   2.447
 1375TIP3   OH247558   0.640   0.866   2.447
 1375TIP3    H147559   0.641   0.935   2.516
 1375TIP3    H247560   0.618   0.785   2.496
 1375TIP3   OH247561   0.130   0.743   2.876
 1375TIP3    H147562   0.083   0.815   2.922
 1375TIP3    H247563   0.068   0.723   2.803
 1375TIP3   OH247564  -0.179   0.389   2.784
 1375TIP3    H147565  -0.171   0.445   2.864
 1375TIP3    H247566  -0.275   0.375   2.779
 1375TIP3   OH247567   0.464   0.961   1.970
 1375TIP3    H147568   0.517   0.995   2.042
 1375TIP3    H247569   0.421   1.040   1.933
 1375TIP3   OH247570  -0.062   0.966   2.954
 1375TIP3    H147571  -0.071   0.970   2.858
 1375TIP3    H247572  -0.149   0.935   2.985
 1375TIP3   OH247573  -0.518   0.574   2.666
 1375TIP3    H147574  -0.559   0.574   2.577
 1375TIP3    H247575  -0.500   0.480   2.682
 1375TIP3   OH247576  -0.512   0.864   2.364
 1375TIP3    H147577  -0.419   0.838   2.362
 1375TIP3    H247578  -0.511   0.930   2.435
 1375TIP3   OH247579   1.329   0.929   2.938
 1375TIP3    H147580   1.317   0.834   2.920
 1375TIP3    H247581   1.238   0.953   2.966
 1375TIP3   OH247582   0.395   0.857   2.823
 1375TIP3    H147583   0.403   0.942   2.873
 1375TIP3    H247584   0.305   0.830   2.848
 1375TIP3   OH247585   0.420   1.235   1.811
 1375TIP3    H147586   0.420   1.232   1.714
 1375TIP3    H247587   0.432   1.328   1.832
 1376TIP3   OH247588  -0.219   1.122   1.963
 1376TIP3    H147589  -0.206   1.080   2.049
 1376TIP3    H247590  -0.298   1.077   1.928
 1376TIP3   OH247591   0.759   1.162   1.496
 1376TIP3    H147592   0.806   1.090   1.452
 1376TIP3    H247593   0.761   1.136   1.589
 1376TIP3   OH247594   0.697   1.133   1.794
 1376TIP3    H147595   0.600   1.135   1.807
 1376TIP3    H247596   0.719   1.056   1.848
 1376TIP3   OH247597   1.007   0.065   2.978
 1376TIP3    H147598   0.956   0.105   2.906
 1376TIP3    H247599   1.012  -0.028   2.950
 1376TIP3   OH247600  -0.300   0.732   2.796
 1376TIP3    H147601  -0.269   0.682   2.874
 1376TIP3    H247602  -0.366   0.672   2.757
 1376TIP3   OH247603  -0.001  -0.424   2.358
 1376TIP3    H147604  -0.083  -0.430   2.306
 1376TIP3    H247605  -0.026  -0.357   2.424
 1376TIP3   OH247606   0.460  -0.460   2.739
 1376TIP3    H147607   0.514  -0.519   2.795
 1376TIP3    H247608   0.372  -0.502   2.742
 1376TIP3   OH247609   0.779  -0.085   2.786
 1376TIP3    H147610   0.715  -0.101   2.859
 1376TIP3    H247611   0.770   0.011   2.770
 1376TIP3   OH247612  -0.004   0.054   2.505
 1376TIP3    H147613  -0.046   0.068   2.591
 1376TIP3    H247614   0.016   0.145   2.475
 1376TIP3   OH247615   0.550   0.106   1.858
 1376TIP3    H147616   0.528   0.193   1.823
 1376TIP3    H247617   0.611   0.070   1.792
 1377TIP3   OH247618   0.482   0.142   3.013
 1377TIP3    H147619   0.433   0.064   3.046
 1377TIP3    H247620   0.571   0.127   3.050
 1377TIP3   OH247621   0.645   0.058   2.137
 1377TIP3    H147622   0.620   0.114   2.061
 1377TIP3    H247623   0.670  -0.023   2.088
 1377TIP3   OH247624  -0.269   0.072   2.695
 1377TIP3    H147625  -0.219   0.104   2.771
 1377TIP3    H247626  -0.288  -0.020   2.722
 1377TIP3   OH247627   0.559   0.227   2.597
 1377TIP3    H147628   0.603   0.157   2.543
 1377TIP3    H247629   0.529   0.176   2.674
 1377TIP3   OH247630   0.716  -0.264   2.397
 1377TIP3    H147631   0.653  -0.263   2.472
 1377TIP3    H247632   0.655  -0.298   2.328
 1377TIP3   OH247633   1.021   1.314   3.068
 1377TIP3    H147634   1.041   1.360   2.985
 1377TIP3    H247635   1.092   1.346   3.126
 1377TIP3   OH247636  -0.190   0.575   3.010
 1377TIP3    H147637  -0.120   0.584   3.078
 1377TIP3    H247638  -0.269   0.578   3.068
 1377TIP3   OH247639   0.374   0.076   2.271
 1377TIP3    H147640   0.448   0.036   2.224
 1377TIP3    H247641   0.363   0.015   2.346
 1377TIP3   OH247642   0.281  -0.075   2.507
 1377TIP3    H147643   0.202  -0.019   2.509
 1377TIP3    H247644   0.329  -0.049   2.589
 1377TIP3   OH247645   0.252   0.565   1.675
 1377TIP3    H147646   0.198   0.489   1.655
 1377TIP3    H247647   0.266   0.563   1.771
 1378TIP3   OH247648   1.015   0.478   2.571
 1378TIP3    H147649   1.065   0.532   2.506
 1378TIP3    H247650   0.931   0.463   2.523
 1378TIP3   OH247651   0.451   0.566   2.828
 1378TIP3    H147652   0.429   0.535   2.917
 1378TIP3    H247653   0.430   0.660   2.831
 1378TIP3   OH247654  -0.207   0.488   2.259
 1378TIP3    H147655  -0.146   0.483   2.184
 1378TIP3    H247656  -0.178   0.412   2.312
 1378TIP3   OH247657   0.532   0.681   1.630
 1378TIP3    H147658   0.513   0.775   1.614
 1378TIP3    H247659   0.477   0.640   1.562
 1378TIP3   OH247660  -0.477   0.327   2.805
 1378TIP3    H147661  -0.450   0.286   2.889
 1378TIP3    H247662  -0.522   0.254   2.760
 1378TIP3   OH247663   0.229   0.276   3.000
 1378TIP3    H147664   0.204   0.256   2.908
 1378TIP3    H247665   0.323   0.249   2.999
 1378TIP3   OH247666   0.683   0.817   2.778
 1378TIP3    H147667   0.587   0.835   2.772
 1378TIP3    H247668   0.701   0.847   2.869
 1378TIP3   OH247669   1.283   0.632   2.932
 1378TIP3    H147670   1.189   0.653   2.913
 1378TIP3    H247671   1.315   0.613   2.842
 1378TIP3   OH247672   0.784   0.415   2.401
 1378TIP3    H147673   0.692   0.403   2.372
 1378TIP3    H247674   0.828   0.346   2.346
 1378TIP3   OH247675   0.034   0.832   2.013
 1378TIP3    H147676   0.089   0.909   1.993
 1378TIP3    H247677  -0.047   0.854   1.967
 1379TIP3   OH247678   0.227   0.589   1.983
 1379TIP3    H147679   0.210   0.684   1.974
 1379TIP3    H247680   0.140   0.553   2.002
 1379TIP3   OH247681   0.245   1.019   2.601
 1379TIP3    H147682   0.295   1.099   2.577
 1379TIP3    H247683   0.306   0.978   2.664
 1379TIP3   OH247684   0.085   1.120   1.935
 1379TIP3    H147685  -0.011   1.132   1.929
 1379TIP3    H247686   0.116   1.211   1.952
 1379TIP3   OH247687   0.587   0.598   2.557
 1379TIP3    H147688   0.559   0.572   2.646
 1379TIP3    H247689   0.660   0.536   2.540
 1379TIP3   OH247690   0.882   1.055   2.796
 1379TIP3    H147691   0.804   1.012   2.756
 1379TIP3    H247692   0.888   1.137   2.745
 1379TIP3   OH247693  -0.333  -0.204   2.764
 1379TIP3    H147694  -0.425  -0.187   2.739
 1379TIP3    H247695  -0.340  -0.294   2.803
 1379TIP3   OH247696  -0.366   0.969   2.608
 1379TIP3    H147697  -0.328   0.880   2.621
 1379TIP3    H247698  -0.333   1.012   2.688
 1379TIP3   OH247699   0.559  -0.218   2.625
 1379TIP3    H147700   0.626  -0.199   2.693
 1379TIP3    H247701   0.512  -0.295   2.662
 1379TIP3   OH247702   0.420   0.956   1.647
 1379TIP3    H147703   0.324   0.975   1.654
 1379TIP3    H247704   0.444   1.003   1.567
 1379TIP3   OH247705   0.398   0.013   2.760
 1379TIP3    H147706   0.413   0.062   2.842
 1379TIP3    H247707   0.454  -0.065   2.773
 1380TIP3   OH247708   0.142   1.051   1.650
 1380TIP3    H147709   0.130   1.130   1.594
 1380TIP3    H247710   0.125   1.085   1.739
 1380TIP3   OH247711   1.031  -0.187   2.846
 1380TIP3    H147712   0.935  -0.174   2.832
 1380TIP3    H247713   1.055  -0.211   2.755
 1380TIP3   OH247714   0.883   0.198   2.241
 1380TIP3    H147715   0.805   0.155   2.202
 1380TIP3    H247716   0.931   0.123   2.282
 1380TIP3   OH247717   0.984   1.082   2.387
 1380TIP3    H147718   0.966   1.164   2.337
 1380TIP3    H247719   1.077   1.097   2.412
 1380TIP3   OH247720  -0.271  -0.442   2.267
 1380TIP3    H147721  -0.287  -0.462   2.174
 1380TIP3    H247722  -0.302  -0.523   2.310
 1380TIP3   OH247723  -0.433   1.179   3.037
 1380TIP3    H147724  -0.372   1.151   3.108
 1380TIP3    H247725  -0.468   1.093   3.007
 1380TIP3   OH247726   0.030   1.073   3.210
 1380TIP3    H147727   0.111   1.022   3.228
 1380TIP3    H247728   0.019   1.054   3.115
 1380TIP3   OH247729   0.697   0.904   3.062
 1380TIP3    H147730   0.653   0.826   3.100
 1380TIP3    H247731   0.761   0.927   3.131
 1380TIP3   OH247732  -0.433   0.536   3.142
 1380TIP3    H147733  -0.420   0.446   3.107
 1380TIP3    H247734  -0.507   0.567   3.086
 1380TIP3   OH247735   0.228   0.553   3.077
 1380TIP3    H147736   0.205   0.590   2.990
 1380TIP3    H247737   0.239   0.458   3.058
 1381TIP3   OH247738   0.768   0.518   2.815
 1381TIP3    H147739   0.848   0.569   2.793
 1381TIP3    H247740   0.701   0.588   2.811
 1381TIP3   OH247741  -0.346   0.249   3.054
 1381TIP3    H147742  -0.271   0.187   3.053
 1381TIP3    H247743  -0.348   0.272   3.149
 1381TIP3   OH247744   0.014   0.161   2.787
 1381TIP3    H147745  -0.027   0.242   2.821
 1381TIP3    H247746   0.090   0.197   2.738
 1381TIP3   OH247747   0.552   0.434   3.158
 1381TIP3    H147748   0.642   0.416   3.125
 1381TIP3    H247749   0.528   0.347   3.195
 1381TIP3   OH247750   0.078  -0.109   2.915
 1381TIP3    H147751   0.089  -0.176   2.844
 1381TIP3    H247752   0.063  -0.029   2.862
 1381TIP3   OH247753   0.110  -0.255   2.660
 1381TIP3    H147754   0.170  -0.214   2.594
 1381TIP3    H247755   0.024  -0.257   2.613
 1381TIP3   OH247756   0.265   0.283   2.701
 1381TIP3    H147757   0.350   0.272   2.656
 1381TIP3    H247758   0.239   0.372   2.669
 1381TIP3   OH247759   0.727   0.077   3.181
 1381TIP3    H147760   0.750  -0.017   3.189
 1381TIP3    H247761   0.815   0.117   3.173
 1381TIP3   OH247762   0.823   0.356   3.028
 1381TIP3    H147763   0.790   0.417   2.959
 1381TIP3    H247764   0.913   0.339   2.991
 1381TIP3   OH247765  -0.101   0.079   3.091
 1381TIP3    H147766  -0.152  -0.005   3.093
 1381TIP3    H247767  -0.018   0.049   3.051
 1382TIP3   OH247768   0.183  -0.527   2.703
 1382TIP3    H147769   0.169  -0.433   2.679
 1382TIP3    H247770   0.121  -0.572   2.642
 1382TIP3   OH247771   0.312  -0.069   3.076
 1382TIP3    H147772   0.277  -0.093   3.163
 1382TIP3    H247773   0.233  -0.091   3.020
 1382TIP3   OH247774   0.569  -0.163   2.963
 1382TIP3    H147775   0.479  -0.163   3.001
 1382TIP3    H247776   0.614  -0.230   3.018
 1382TIP3   OH247777   0.751  -0.317   3.134
 1382TIP3    H147778   0.737  -0.413   3.148
 1382TIP3    H247779   0.733  -0.278   3.221
 1382TIP3   OH247780  -0.235  -0.177   3.079
 1382TIP3    H147781  -0.239  -0.249   3.013
 1382TIP3    H247782  -0.254  -0.225   3.161
 1382TIP3   OH247783   0.170  -0.579   2.978
 1382TIP3    H147784   0.231  -0.655   2.981
 1382TIP3    H247785   0.166  -0.564   2.881
 1382TIP3   OH247786   0.263  -0.394   3.165
 1382TIP3    H147787   0.240  -0.453   3.090
 1382TIP3    H247788   0.194  -0.326   3.161
 1382TIP3   OH247789   0.173   1.299   1.500
 1382TIP3    H147790   0.267   1.296   1.519
 1382TIP3    H247791   0.170   1.370   1.434
 1382TIP3   OH247792  -0.563   1.267   1.940
 1382TIP3    H147793  -0.614   1.217   1.873
 1382TIP3    H247794  -0.530   1.194   1.996
 1382TIP3   OH247795  -0.495   1.066   2.129
 1382TIP3    H147796  -0.524   0.979   2.161
 1382TIP3    H247797  -0.456   1.103   2.209
 1383TIP3   OH247798   1.256   1.200   2.437
 1383TIP3    H147799   1.272   1.196   2.532
 1383TIP3    H247800   1.343   1.228   2.404
 1383TIP3   OH247801   1.247   1.144   2.725
 1383TIP3    H147802   1.193   1.070   2.690
 1383TIP3    H247803   1.300   1.096   2.790
 1383TIP3   OH247804   1.046   0.686   3.155
 1383TIP3    H147805   0.957   0.694   3.193
 1383TIP3    H247806   1.090   0.767   3.185
 1383TIP3   OH247807   1.207   0.621   2.426
 1383TIP3    H147808   1.264   0.572   2.364
 1383TIP3    H247809   1.216   0.712   2.393
 1383TIP3   OH247810   1.076   0.914   2.648
 1383TIP3    H147811   1.002   0.956   2.697
 1383TIP3    H247812   1.030   0.878   2.569
 1383TIP3   OH247813   1.033   0.214   1.965
 1383TIP3    H147814   1.020   0.119   1.952
 1383TIP3    H247815   0.996   0.229   2.054
 1383TIP3   OH247816  -0.488   0.395   2.351
 1383TIP3    H147817  -0.451   0.407   2.262
 1383TIP3    H247818  -0.405   0.382   2.401
 1383TIP3   OH247819   1.085   0.378   2.920
 1383TIP3    H147820   1.158   0.317   2.939
 1383TIP3    H247821   1.130   0.461   2.902
 1383TIP3   OH247822   1.240   0.189   3.042
 1383TIP3    H147823   1.161   0.135   3.020
 1383TIP3    H247824   1.311   0.121   3.040
 1383TIP3   OH247825   1.018  -0.039   1.835
 1383TIP3    H147826   1.017  -0.134   1.819
 1383TIP3    H247827   1.069  -0.007   1.760
 1384TIP3   OH247828   1.033  -0.007   2.367
 1384TIP3    H147829   1.130   0.007   2.365
 1384TIP3    H247830   1.017  -0.002   2.462
 1384TIP3   OH247831   1.053   0.067   2.651
 1384TIP3    H147832   0.966   0.103   2.676
 1384TIP3    H247833   1.103   0.147   2.628
 1384TIP3   OH247834  -0.501  -0.061   3.012
 1384TIP3    H147835  -0.407  -0.085   3.021
 1384TIP3    H247836  -0.543  -0.148   3.025
 1384TIP3   OH247837   1.308  -0.519   3.179
 1384TIP3    H147838   1.348  -0.588   3.124
 1384TIP3    H247839   1.310  -0.441   3.120
 1384TIP3   OH247840   1.084  -0.340   1.817
 1384TIP3    H147841   1.062  -0.369   1.907
 1384TIP3    H247842   1.009  -0.378   1.770
 1384TIP3   OH247843   1.245  -0.314   3.003
 1384TIP3    H147844   1.157  -0.272   3.009
 1384TIP3    H247845   1.232  -0.369   2.924
 1384TIP3   OH247846   0.947   1.208   2.004
 1384TIP3    H147847   0.997   1.172   1.928
 1384TIP3    H247848   1.018   1.236   2.063
 1384TIP3   OH247849  -0.511  -0.427   2.636
 1384TIP3    H147850  -0.578  -0.475   2.685
 1384TIP3    H247851  -0.565  -0.393   2.561
 1384TIP3   OH247852  -0.316   0.870   3.090
 1384TIP3    H147853  -0.389   0.875   3.027
 1384TIP3    H247854  -0.361   0.876   3.175
 1384TIP3   OH247855  -0.033   0.974   2.656
 1384TIP3    H147856  -0.059   1.061   2.621
 1384TIP3    H247857   0.064   0.979   2.641
 1385TIP3   OH247858   0.405   1.095   2.952
 1385TIP3    H147859   0.385   1.118   3.044
 1385TIP3    H247860   0.458   1.172   2.925
 1385TIP3   OH247861   0.648   1.254   2.880
 1385TIP3    H147862   0.706   1.178   2.865
 1385TIP3    H247863   0.669   1.276   2.973
 1385TIP3   OH247864   1.132  -0.491   2.802
 1385TIP3    H147865   1.051  -0.472   2.750
 1385TIP3    H247866   1.153  -0.581   2.769
 1385TIP3   OH247867  -0.298   1.260   2.692
 1385TIP3    H147868  -0.344   1.331   2.646
 1385TIP3    H247869  -0.322   1.277   2.784
 1385TIP3   OH247870  -0.044   1.244   2.543
 1385TIP3    H147871  -0.125   1.269   2.591
 1385TIP3    H247872  -0.034   1.315   2.477
 1385TIP3   OH247873   0.428   1.243   2.500
 1385TIP3    H147874   0.391   1.294   2.426
 1385TIP3    H247875   0.431   1.312   2.570
 1385TIP3   OH247876   0.663   1.117   2.592
 1385TIP3    H147877   0.577   1.152   2.562
 1385TIP3    H247878   0.716   1.198   2.594
 1385TIP3   OH247879   0.920   1.291   2.614
 1385TIP3    H147880   0.912   1.385   2.590
 1385TIP3    H247881   0.943   1.253   2.528
 1385TIP3   OH247882  -0.339   1.146   2.385
 1385TIP3    H147883  -0.334   1.100   2.471
 1385TIP3    H247884  -0.261   1.107   2.340
 1385TIP3   OH247885  -0.139   1.025   2.235
 1385TIP3    H147886  -0.143   0.929   2.253
 1385TIP3    H247887  -0.045   1.044   2.256
 1386TIP3   OH247888   0.138   1.070   2.318
 1386TIP3    H147889   0.163   0.980   2.292
 1386TIP3    H247890   0.151   1.066   2.414
 1386TIP3   OH247891   0.501  -0.352   2.236
 1386TIP3    H147892   0.416  -0.398   2.249
 1386TIP3    H247893   0.525  -0.389   2.150
 1386TIP3   OH247894   0.945  -0.542   2.276
 1386TIP3    H147895   1.020  -0.499   2.233
 1386TIP3    H247896   0.869  -0.517   2.220
 1386TIP3   OH247897   1.235  -0.421   2.102
 1386TIP3    H147898   1.214  -0.482   2.030
 1386TIP3    H247899   1.183  -0.342   2.086
 1386TIP3   OH247900   0.481   1.222   1.489
 1386TIP3    H147901   0.579   1.226   1.484
 1386TIP3    H247902   0.461   1.168   1.411
 1386TIP3   OH247903   1.121   1.125   1.762
 1386TIP3    H147904   1.120   1.042   1.712
 1386TIP3    H247905   1.135   1.190   1.691
 1386TIP3   OH247906  -0.312  -0.443   2.962
 1386TIP3    H147907  -0.351  -0.528   2.991
 1386TIP3    H247908  -0.218  -0.460   2.978
 1386TIP3   OH247909  -0.070  -0.506   3.132
 1386TIP3    H147910   0.012  -0.537   3.088
 1386TIP3    H247911  -0.103  -0.590   3.169
 1386TIP3   OH247912   0.740  -0.596   3.148
 1386TIP3    H147913   0.745  -0.639   3.236
 1386TIP3    H247914   0.833  -0.601   3.120
 1386TIP3   OH247915   1.077   1.037   3.016
 1386TIP3    H147916   1.003   1.017   2.955
 1386TIP3    H247917   1.058   1.131   3.036
 1387TIP3   OH247918   2.502   0.406   2.028
 1387TIP3    H147919   2.496   0.502   2.036
 1387TIP3    H247920   2.426   0.386   1.970
 1387TIP3   OH247921   2.388   0.349   2.339
 1387TIP3    H147922   2.380   0.292   2.418
 1387TIP3    H247923   2.352   0.289   2.271
 1387TIP3   OH247924   1.632   0.309   2.501
 1387TIP3    H147925   1.627   0.235   2.564
 1387TIP3    H247926   1.699   0.365   2.542
 1387TIP3   OH247927   2.750   0.620   2.169
 1387TIP3    H147928   2.711   0.548   2.221
 1387TIP3    H247929   2.782   0.679   2.237
 1387TIP3   OH247930   1.694   0.766   2.351
 1387TIP3    H147931   1.670   0.676   2.319
 1387TIP3    H247932   1.788   0.752   2.371
 1387TIP3   OH247933   1.374   0.116   1.885
 1387TIP3    H147934   1.333   0.201   1.908
 1387TIP3    H247935   1.305   0.075   1.832
 1387TIP3   OH247936   1.453   0.371   2.067
 1387TIP3    H147937   1.458   0.284   2.109
 1387TIP3    H247938   1.539   0.379   2.024
 1387TIP3   OH247939   2.457   1.163   2.213
 1387TIP3    H147940   2.513   1.087   2.190
 1387TIP3    H247941   2.413   1.139   2.296
 1387TIP3   OH247942   2.236   0.604   2.393
 1387TIP3    H147943   2.264   0.527   2.341
 1387TIP3    H247944   2.318   0.620   2.444
 1387TIP3   OH247945   3.092  -0.232   2.449
 1387TIP3    H147946   3.125  -0.198   2.533
 1387TIP3    H247947   3.171  -0.232   2.392
 1388TIP3   OH247948   2.570   0.034   2.442
 1388TIP3    H147949   2.569  -0.063   2.453
 1388TIP3    H247950   2.546   0.042   2.348
 1388TIP3   OH247951   1.853  -0.171   2.136
 1388TIP3    H147952   1.866  -0.084   2.094
 1388TIP3    H247953   1.806  -0.218   2.066
 1388TIP3   OH247954   2.621  -0.156   1.982
 1388TIP3    H147955   2.684  -0.206   2.036
 1388TIP3    H247956   2.677  -0.126   1.910
 1388TIP3   OH247957   1.531   0.117   2.199
 1388TIP3    H147958   1.586   0.063   2.258
 1388TIP3    H247959   1.521   0.061   2.121
 1388TIP3   OH247960   2.070   0.247   2.146
 1388TIP3    H147961   2.132   0.185   2.189
 1388TIP3    H247962   2.012   0.186   2.098
 1388TIP3   OH247963   3.166  -0.104   2.696
 1388TIP3    H147964   3.093  -0.040   2.684
 1388TIP3    H247965   3.160  -0.117   2.792
 1388TIP3   OH247966   1.736  -0.288   2.561
 1388TIP3    H147967   1.699  -0.226   2.496
 1388TIP3    H247968   1.671  -0.277   2.634
 1388TIP3   OH247969   2.483   0.694   1.890
 1388TIP3    H147970   2.436   0.669   1.811
 1388TIP3    H247971   2.442   0.780   1.911
 1388TIP3   OH247972   2.033   0.503   2.581
 1388TIP3    H147973   1.956   0.558   2.608
 1388TIP3    H247974   2.090   0.568   2.537
 1388TIP3   OH247975   2.826  -0.218   2.186
 1388TIP3    H147976   2.781  -0.281   2.244
 1388TIP3    H247977   2.885  -0.172   2.247
 1389TIP3   OH247978   1.704  -0.089   2.359
 1389TIP3    H147979   1.766  -0.027   2.403
 1389TIP3    H247980   1.760  -0.122   2.286
 1389TIP3   OH247981   1.830   0.687   2.653
 1389TIP3    H147982   1.825   0.780   2.622
 1389TIP3    H247983   1.743   0.680   2.696
 1389TIP3   OH247984   2.795   0.807   2.440
 1389TIP3    H147985   2.703   0.787   2.420
 1389TIP3    H247986   2.818   0.881   2.380
 1389TIP3   OH247987   2.838  -0.303   2.572
 1389TIP3    H147988   2.758  -0.272   2.527
 1389TIP3    H247989   2.907  -0.292   2.504
 1389TIP3   OH247990   2.152  -0.537   2.279
 1389TIP3    H147991   2.128  -0.632   2.273
 1389TIP3    H247992   2.069  -0.499   2.315
 1389TIP3   OH247993   2.650   0.991   2.100
 1389TIP3    H147994   2.687   0.919   2.047
 1389TIP3    H247995   2.700   1.067   2.064
 1389TIP3   OH247996   2.782   0.781   1.938
 1389TIP3    H147997   2.727   0.741   1.869
 1389TIP3    H247998   2.773   0.715   2.010
 1389TIP3   OH247999   2.932   0.668   2.786
 1389TIP3    H148000   2.924   0.599   2.717
 1389TIP3    H248001   2.951   0.748   2.734
 1389TIP3   OH248002   2.373   0.343   1.774
 1389TIP3    H148003   2.299   0.391   1.735
 1389TIP3    H248004   2.437   0.338   1.700
 1389TIP3   OH248005   3.116   0.265   2.546
 1389TIP3    H148006   3.053   0.333   2.578
 1389TIP3    H248007   3.172   0.315   2.486
 1390TIP3   OH248008   2.714   0.359   1.859
 1390TIP3    H148009   2.641   0.380   1.922
 1390TIP3    H248010   2.760   0.290   1.909
 1390TIP3   OH248011   2.698   0.211   2.746
 1390TIP3    H148012   2.699   0.291   2.801
 1390TIP3    H248013   2.629   0.238   2.683
 1390TIP3   OH248014   1.868   0.440   2.019
 1390TIP3    H148015   1.835   0.406   1.934
 1390TIP3    H248016   1.939   0.379   2.043
 1390TIP3   OH248017   2.007   0.774   2.313
 1390TIP3    H148018   1.993   0.746   2.221
 1390TIP3    H248019   2.086   0.723   2.339
 1390TIP3   OH248020   1.934   0.313   2.390
 1390TIP3    H148021   1.987   0.322   2.309
 1390TIP3    H248022   1.969   0.383   2.448
 1390TIP3   OH248023   2.017   0.749   2.869
 1390TIP3    H148024   1.966   0.811   2.924
 1390TIP3    H248025   1.949   0.721   2.804
 1390TIP3   OH248026   2.601   0.288   1.608
 1390TIP3    H148027   2.656   0.318   1.683
 1390TIP3    H248028   2.645   0.332   1.532
 1390TIP3   OH248029   1.709   0.388   2.784
 1390TIP3    H148030   1.713   0.444   2.864
 1390TIP3    H248031   1.613   0.373   2.777
 1390TIP3   OH248032   2.366   0.962   1.967
 1390TIP3    H148033   2.389   1.007   2.048
 1390TIP3    H248034   2.306   1.026   1.925
 1390TIP3   OH248035   1.825   0.965   2.955
 1390TIP3    H148036   1.812   0.966   2.859
 1390TIP3    H248037   1.737   0.938   2.989
 1391TIP3   OH248038   2.937  -0.534   1.591
 1391TIP3    H148039   2.839  -0.534   1.579
 1391TIP3    H248040   2.957  -0.444   1.563
 1391TIP3   OH248041   3.093   0.886   1.415
 1391TIP3    H148042   3.106   0.980   1.434
 1391TIP3    H248043   3.181   0.849   1.435
 1391TIP3   OH248044   1.372   0.576   2.667
 1391TIP3    H148045   1.326   0.577   2.580
 1391TIP3    H248046   1.383   0.480   2.681
 1391TIP3   OH248047   1.376   0.870   2.359
 1391TIP3    H148048   1.467   0.839   2.366
 1391TIP3    H248049   1.370   0.929   2.436
 1391TIP3   OH248050   3.213   0.928   2.936
 1391TIP3    H148051   3.202   0.832   2.924
 1391TIP3    H248052   3.123   0.954   2.966
 1391TIP3   OH248053   2.277   0.854   2.815
 1391TIP3    H148054   2.285   0.932   2.874
 1391TIP3    H248055   2.188   0.821   2.839
 1391TIP3   OH248056   2.320   1.231   1.814
 1391TIP3    H148057   2.302   1.232   1.718
 1391TIP3    H248058   2.313   1.324   1.838
 1391TIP3   OH248059   1.661   1.120   1.962
 1391TIP3    H148060   1.688   1.079   2.046
 1391TIP3    H248061   1.574   1.079   1.950
 1391TIP3   OH248062   2.640   1.179   1.532
 1391TIP3    H148063   2.697   1.113   1.488
 1391TIP3    H248064   2.631   1.139   1.621
 1391TIP3   OH248065   2.580   1.119   1.818
 1391TIP3    H148066   2.484   1.138   1.820
 1391TIP3    H248067   2.581   1.037   1.870
 1392TIP3   OH248068   2.897   0.068   2.975
 1392TIP3    H148069   2.836   0.102   2.909
 1392TIP3    H248070   2.898  -0.027   2.953
 1392TIP3   OH248071   1.590   0.730   2.790
 1392TIP3    H148072   1.616   0.684   2.873
 1392TIP3    H248073   1.516   0.676   2.758
 1392TIP3   OH248074   1.906  -0.422   2.368
 1392TIP3    H148075   1.831  -0.426   2.306
 1392TIP3    H248076   1.874  -0.354   2.431
 1392TIP3   OH248077   2.347  -0.465   2.730
 1392TIP3    H148078   2.398  -0.516   2.796
 1392TIP3    H248079   2.256  -0.498   2.745
 1392TIP3   OH248080   2.664  -0.082   2.787
 1392TIP3    H148081   2.601  -0.104   2.859
 1392TIP3    H248082   2.650   0.013   2.773
 1392TIP3   OH248083   2.751   0.398   1.391
 1392TIP3    H148084   2.730   0.392   1.296
 1392TIP3    H248085   2.843   0.431   1.388
 1392TIP3   OH248086   1.895   0.056   2.508
 1392TIP3    H148087   1.837   0.066   2.585
 1392TIP3    H248088   1.899   0.148   2.473
 1392TIP3   OH248089   1.887   0.073   1.986
 1392TIP3    H148090   1.791   0.070   1.970
 1392TIP3    H248091   1.920   0.053   1.896
 1392TIP3   OH248092   2.486   0.105   1.867
 1392TIP3    H148093   2.433   0.185   1.847
 1392TIP3    H248094   2.518   0.082   1.779
 1392TIP3   OH248095   2.371   0.139   3.006
 1392TIP3    H148096   2.318   0.066   3.046
 1392TIP3    H248097   2.456   0.127   3.052
 1393TIP3   OH248098   2.544   0.052   2.149
 1393TIP3    H148099   2.515   0.107   2.075
 1393TIP3    H248100   2.560  -0.031   2.099
 1393TIP3   OH248101   1.631   0.072   2.691
 1393TIP3    H148102   1.657   0.103   2.779
 1393TIP3    H248103   1.594  -0.015   2.712
 1393TIP3   OH248104   1.338  -0.151   2.053
 1393TIP3    H148105   1.368  -0.191   2.137
 1393TIP3    H248106   1.350  -0.222   1.989
 1393TIP3   OH248107   2.449   0.227   2.599
 1393TIP3    H148108   2.490   0.153   2.550
 1393TIP3    H248109   2.409   0.180   2.675
 1393TIP3   OH248110   2.167  -0.171   2.101
 1393TIP3    H148111   2.072  -0.188   2.117
 1393TIP3    H248112   2.206  -0.202   2.184
 1393TIP3   OH248113   1.623  -0.075   1.945
 1393TIP3    H148114   1.536  -0.033   1.935
 1393TIP3    H248115   1.629  -0.129   1.866
 1393TIP3   OH248116   1.972   0.008   1.719
 1393TIP3    H148117   2.064  -0.021   1.733
 1393TIP3    H248118   1.977   0.064   1.641
 1393TIP3   OH248119   2.605  -0.265   2.401
 1393TIP3    H148120   2.542  -0.264   2.476
 1393TIP3    H248121   2.546  -0.299   2.331
 1393TIP3   OH248122   2.907   1.312   3.065
 1393TIP3    H148123   2.929   1.361   2.984
 1393TIP3    H248124   2.971   1.347   3.129
 1393TIP3   OH248125   1.697   0.578   3.011
 1393TIP3    H148126   1.764   0.583   3.083
 1393TIP3    H248127   1.616   0.574   3.065
 1394TIP3   OH248128   2.276   0.080   2.285
 1394TIP3    H148129   2.336   0.025   2.232
 1394TIP3    H248130   2.250   0.019   2.357
 1394TIP3   OH248131   2.169  -0.071   2.502
 1394TIP3    H148132   2.087  -0.019   2.508
 1394TIP3    H248133   2.215  -0.050   2.586
 1394TIP3   OH248134   2.909   0.473   2.569
 1394TIP3    H148135   2.951   0.529   2.502
 1394TIP3    H248136   2.819   0.461   2.533
 1394TIP3   OH248137   2.355   0.571   2.822
 1394TIP3    H148138   2.319   0.524   2.899
 1394TIP3    H248139   2.307   0.655   2.827
 1394TIP3   OH248140   2.708   0.022   1.603
 1394TIP3    H148141   2.719  -0.013   1.693
 1394TIP3    H248142   2.646   0.097   1.614
 1394TIP3   OH248143   1.698   0.495   2.261
 1394TIP3    H148144   1.756   0.486   2.184
 1394TIP3    H248145   1.706   0.409   2.304
 1394TIP3   OH248146   1.419   0.327   2.805
 1394TIP3    H148147   1.434   0.284   2.891
 1394TIP3    H248148   1.357   0.267   2.760
 1394TIP3   OH248149   2.116   0.280   3.003
 1394TIP3    H148150   2.081   0.252   2.916
 1394TIP3    H248151   2.209   0.251   2.996
 1394TIP3   OH248152   2.565   0.870   2.768
 1394TIP3    H148153   2.473   0.836   2.765
 1394TIP3    H248154   2.586   0.851   2.861
 1394TIP3   OH248155   3.120   0.025   1.645
 1394TIP3    H148156   3.074  -0.013   1.569
 1394TIP3    H248157   3.123   0.120   1.622
 1395TIP3   OH248158   3.167   0.632   2.933
 1395TIP3    H148159   3.073   0.653   2.916
 1395TIP3    H248160   3.201   0.615   2.843
 1395TIP3   OH248161   2.943   0.885   1.664
 1395TIP3    H148162   2.927   0.806   1.717
 1395TIP3    H248163   2.998   0.853   1.591
 1395TIP3   OH248164   2.663   0.426   2.397
 1395TIP3    H148165   2.570   0.403   2.379
 1395TIP3    H248166   2.707   0.350   2.355
 1395TIP3   OH248167   1.938   0.823   2.024
 1395TIP3    H148168   1.983   0.897   1.982
 1395TIP3    H248169   1.861   0.810   1.966
 1395TIP3   OH248170   2.135   1.023   2.600
 1395TIP3    H148171   2.181   1.107   2.587
 1395TIP3    H248172   2.189   0.979   2.667
 1395TIP3   OH248173   1.976   1.114   1.931
 1395TIP3    H148174   1.880   1.118   1.928
 1395TIP3    H248175   2.001   1.207   1.947
 1395TIP3   OH248176   2.485   0.629   2.544
 1395TIP3    H148177   2.448   0.601   2.629
 1395TIP3    H248178   2.548   0.559   2.524
 1395TIP3   OH248179   2.678   0.729   1.451
 1395TIP3    H148180   2.719   0.688   1.529
 1395TIP3    H248181   2.585   0.714   1.471
 1395TIP3   OH248182   2.776   1.048   2.784
 1395TIP3    H148183   2.690   1.002   2.784
 1395TIP3    H248184   2.759   1.137   2.747
 1395TIP3   OH248185   3.163   1.155   1.504
 1395TIP3    H148186   3.231   1.220   1.480
 1395TIP3    H248187   3.085   1.213   1.506
 1396TIP3   OH248188   1.551  -0.208   2.764
 1396TIP3    H148189   1.460  -0.181   2.741
 1396TIP3    H248190   1.536  -0.293   2.808
 1396TIP3   OH248191   2.782   0.588   1.684
 1396TIP3    H148192   2.755   0.516   1.744
 1396TIP3    H248193   2.878   0.588   1.696
 1396TIP3   OH248194   1.529   0.969   2.606
 1396TIP3    H148195   1.554   0.877   2.624
 1396TIP3    H248196   1.547   1.008   2.692
 1396TIP3   OH248197   2.450  -0.224   2.620
 1396TIP3    H148198   2.506  -0.197   2.694
 1396TIP3    H248199   2.397  -0.296   2.659
 1396TIP3   OH248200   2.310   0.959   1.646
 1396TIP3    H148201   2.214   0.977   1.653
 1396TIP3    H248202   2.331   1.002   1.562
 1396TIP3   OH248203   2.241  -0.064   1.841
 1396TIP3    H148204   2.331  -0.033   1.857
 1396TIP3    H248205   2.213  -0.091   1.931
 1396TIP3   OH248206   2.296   0.014   2.755
 1396TIP3    H148207   2.292   0.063   2.838
 1396TIP3    H248208   2.340  -0.067   2.784
 1396TIP3   OH248209   2.341  -0.365   1.927
 1396TIP3    H148210   2.305  -0.297   1.985
 1396TIP3    H248211   2.413  -0.318   1.883
 1396TIP3   OH248212   2.027   1.038   1.630
 1396TIP3    H148213   2.008   1.119   1.580
 1396TIP3    H248214   1.988   1.057   1.717
 1396TIP3   OH248215   1.854  -0.278   1.603
 1396TIP3    H148216   1.879  -0.185   1.612
 1396TIP3    H248217   1.942  -0.320   1.603
 1397TIP3   OH248218   2.917  -0.186   2.843
 1397TIP3    H148219   2.820  -0.173   2.834
 1397TIP3    H248220   2.935  -0.215   2.753
 1397TIP3   OH248221   2.770   0.196   2.244
 1397TIP3    H148222   2.686   0.149   2.222
 1397TIP3    H248223   2.819   0.128   2.293
 1397TIP3   OH248224   2.848   1.085   2.394
 1397TIP3    H148225   2.848   1.164   2.335
 1397TIP3    H248226   2.944   1.084   2.415
 1397TIP3   OH248227   1.620  -0.482   2.236
 1397TIP3    H148228   1.580  -0.528   2.162
 1397TIP3    H248229   1.604  -0.549   2.306
 1397TIP3   OH248230   1.461   1.173   3.028
 1397TIP3    H148231   1.518   1.145   3.101
 1397TIP3    H248232   1.421   1.088   3.000
 1397TIP3   OH248233   1.931   1.083   3.203
 1397TIP3    H148234   1.996   1.017   3.231
 1397TIP3    H248235   1.906   1.050   3.115
 1397TIP3   OH248236   2.322   1.004   1.360
 1397TIP3    H148237   2.249   0.941   1.354
 1397TIP3    H248238   2.385   0.969   1.295
 1397TIP3   OH248239   2.588   0.899   3.058
 1397TIP3    H148240   2.538   0.827   3.102
 1397TIP3    H248241   2.647   0.928   3.130
 1397TIP3   OH248242   2.805   0.998   1.383
 1397TIP3    H148243   2.829   0.916   1.428
 1397TIP3    H248244   2.873   1.004   1.313
 1397TIP3   OH248245   1.455   0.537   3.139
 1397TIP3    H148246   1.464   0.445   3.108
 1397TIP3    H248247   1.378   0.567   3.087
 1398TIP3   OH248248   2.131   0.558   3.066
 1398TIP3    H148249   2.084   0.585   2.986
 1398TIP3    H248250   2.129   0.460   3.060
 1398TIP3   OH248251   2.656   0.512   2.807
 1398TIP3    H148252   2.728   0.576   2.799
 1398TIP3    H248253   2.577   0.567   2.814
 1398TIP3   OH248254   1.541   0.250   3.057
 1398TIP3    H148255   1.615   0.186   3.058
 1398TIP3    H248256   1.538   0.272   3.152
 1398TIP3   OH248257   1.908   0.161   2.799
 1398TIP3    H148258   1.854   0.238   2.824
 1398TIP3    H248259   1.971   0.201   2.737
 1398TIP3   OH248260   2.438   0.433   3.150
 1398TIP3    H148261   2.531   0.412   3.133
 1398TIP3    H248262   2.409   0.355   3.200
 1398TIP3   OH248263   3.028   0.433   1.330
 1398TIP3    H148264   3.013   0.405   1.238
 1398TIP3    H248265   3.025   0.530   1.317
 1398TIP3   OH248266   1.969  -0.106   2.914
 1398TIP3    H148267   1.972  -0.174   2.843
 1398TIP3    H248268   1.943  -0.027   2.865
 1398TIP3   OH248269   1.999  -0.261   2.658
 1398TIP3    H148270   2.050  -0.209   2.593
 1398TIP3    H248271   1.908  -0.257   2.623
 1398TIP3   OH248272   2.155   0.285   2.701
 1398TIP3    H148273   2.237   0.275   2.651
 1398TIP3    H248274   2.122   0.371   2.669
 1398TIP3   OH248275   2.614   0.075   3.172
 1398TIP3    H148276   2.630  -0.016   3.199
 1398TIP3    H248277   2.703   0.113   3.179
 1399TIP3   OH248278   2.714   0.356   3.027
 1399TIP3    H148279   2.675   0.415   2.959
 1399TIP3    H248280   2.800   0.338   2.986
 1399TIP3   OH248281   1.786   0.078   3.090
 1399TIP3    H148282   1.733  -0.003   3.096
 1399TIP3    H248283   1.869   0.045   3.053
 1399TIP3   OH248284   2.074  -0.528   2.694
 1399TIP3    H148285   2.053  -0.433   2.679
 1399TIP3    H248286   2.003  -0.571   2.643
 1399TIP3   OH248287   2.199  -0.071   3.073
 1399TIP3    H148288   2.165  -0.091   3.162
 1399TIP3    H248289   2.118  -0.091   3.021
 1399TIP3   OH248290   2.451  -0.169   2.957
 1399TIP3    H148291   2.364  -0.160   3.001
 1399TIP3    H248292   2.497  -0.229   3.019
 1399TIP3   OH248293   2.638  -0.317   3.133
 1399TIP3    H148294   2.622  -0.412   3.149
 1399TIP3    H248295   2.618  -0.276   3.219
 1399TIP3   OH248296   1.655  -0.178   3.078
 1399TIP3    H148297   1.645  -0.250   3.013
 1399TIP3    H248298   1.632  -0.224   3.161
 1399TIP3   OH248299   2.056  -0.579   2.977
 1399TIP3    H148300   2.115  -0.656   2.983
 1399TIP3    H248301   2.053  -0.565   2.881
 1399TIP3   OH248302   2.151  -0.392   3.161
 1399TIP3    H148303   2.118  -0.452   3.091
 1399TIP3    H248304   2.081  -0.325   3.166
 1399TIP3   OH248305   2.055   1.299   1.504
 1399TIP3    H148306   2.151   1.304   1.518
 1399TIP3    H248307   2.045   1.360   1.430
 1400TIP3   OH248308   1.328   1.269   1.936
 1400TIP3    H148309   1.268   1.220   1.876
 1400TIP3    H248310   1.354   1.198   1.998
 1400TIP3   OH248311   1.397   1.070   2.126
 1400TIP3    H148312   1.362   0.983   2.152
 1400TIP3    H248313   1.423   1.104   2.213
 1400TIP3   OH248314   3.140   1.194   2.439
 1400TIP3    H148315   3.158   1.196   2.534
 1400TIP3    H248316   3.222   1.231   2.403
 1400TIP3   OH248317   3.130   1.143   2.722
 1400TIP3    H148318   3.082   1.065   2.689
 1400TIP3    H248319   3.185   1.101   2.791
 1400TIP3   OH248320   2.930   0.686   3.152
 1400TIP3    H148321   2.842   0.691   3.194
 1400TIP3    H248322   2.975   0.765   3.187
 1400TIP3   OH248323   3.071   0.572   1.731
 1400TIP3    H148324   3.160   0.609   1.746
 1400TIP3    H248325   3.063   0.512   1.807
 1400TIP3   OH248326   3.139   0.376   1.951
 1400TIP3    H148327   3.064   0.319   1.978
 1400TIP3    H248328   3.198   0.375   2.027
 1400TIP3   OH248329   3.092   0.621   2.420
 1400TIP3    H148330   3.152   0.582   2.355
 1400TIP3    H248331   3.103   0.716   2.401
 1400TIP3   OH248332   2.966   0.911   2.641
 1400TIP3    H148333   2.898   0.954   2.697
 1400TIP3    H248334   2.912   0.870   2.571
 1400TIP3   OH248335   3.131   0.316   1.583
 1400TIP3    H148336   3.090   0.350   1.501
 1400TIP3    H248337   3.130   0.396   1.638
 1401TIP3   OH248338   2.941   0.181   2.022
 1401TIP3    H148339   2.912   0.097   1.981
 1401TIP3    H248340   2.873   0.194   2.091
 1401TIP3   OH248341   1.396   0.404   2.372
 1401TIP3    H148342   1.418   0.413   2.277
 1401TIP3    H248343   1.485   0.383   2.409
 1401TIP3   OH248344   2.975   0.377   2.909
 1401TIP3    H148345   3.043   0.314   2.940
 1401TIP3    H248346   3.022   0.461   2.910
 1401TIP3   OH248347   3.127   0.191   3.039
 1401TIP3    H148348   3.048   0.135   3.019
 1401TIP3    H248349   3.197   0.123   3.039
 1401TIP3   OH248350   2.889  -0.056   1.833
 1401TIP3    H148351   2.900  -0.153   1.832
 1401TIP3    H248352   2.962  -0.029   1.775
 1401TIP3   OH248353   2.968   0.027   2.364
 1401TIP3    H148354   3.048   0.002   2.412
 1401TIP3    H248355   2.905   0.007   2.436
 1401TIP3   OH248356   2.937   0.063   2.646
 1401TIP3    H148357   2.850   0.092   2.678
 1401TIP3    H248358   2.980   0.148   2.628
 1401TIP3   OH248359   1.387  -0.058   3.016
 1401TIP3    H148360   1.480  -0.084   3.022
 1401TIP3    H248361   1.342  -0.144   3.024
 1401TIP3   OH248362   3.190  -0.518   3.176
 1401TIP3    H148363   3.234  -0.587   3.125
 1401TIP3    H248364   3.197  -0.440   3.118
 1401TIP3   OH248365   2.919  -0.343   1.828
 1401TIP3    H148366   2.924  -0.393   1.911
 1401TIP3    H248367   2.853  -0.396   1.780
 1402TIP3   OH248368   1.466  -0.228   2.295
 1402TIP3    H148369   1.510  -0.314   2.302
 1402TIP3    H248370   1.532  -0.168   2.334
 1402TIP3   OH248371   1.324   0.040   2.404
 1402TIP3    H148372   1.371   0.044   2.319
 1402TIP3    H248373   1.354   0.122   2.446
 1402TIP3   OH248374   3.133  -0.311   3.000
 1402TIP3    H148375   3.044  -0.273   3.013
 1402TIP3    H248376   3.115  -0.369   2.923
 1402TIP3   OH248377   3.133  -0.283   1.482
 1402TIP3    H148378   3.147  -0.369   1.439
 1402TIP3    H248379   3.224  -0.251   1.494
 1402TIP3   OH248380   1.394  -0.315   1.796
 1402TIP3    H148381   1.297  -0.327   1.800
 1402TIP3    H248382   1.400  -0.256   1.720
 1402TIP3   OH248383   2.832   1.197   2.021
 1402TIP3    H148384   2.875   1.180   1.935
 1402TIP3    H248385   2.900   1.246   2.068
 1402TIP3   OH248386   1.372  -0.434   2.622
 1402TIP3    H148387   1.301  -0.462   2.682
 1402TIP3    H248388   1.321  -0.383   2.556
 1402TIP3   OH248389   1.570   0.879   3.089
 1402TIP3    H148390   1.496   0.873   3.027
 1402TIP3    H248391   1.527   0.868   3.175
 1402TIP3   OH248392   1.855   0.973   2.657
 1402TIP3    H148393   1.821   1.057   2.623
 1402TIP3    H248394   1.950   0.982   2.637
 1402TIP3   OH248395   2.308   1.100   2.958
 1402TIP3    H148396   2.312   1.086   3.054
 1402TIP3    H248397   2.391   1.148   2.941
 1403TIP3   OH248398   2.543   1.237   2.869
 1403TIP3    H148399   2.608   1.168   2.885
 1403TIP3    H248400   2.557   1.290   2.950
 1403TIP3   OH248401   3.020  -0.489   2.798
 1403TIP3    H148402   2.935  -0.475   2.753
 1403TIP3    H248403   3.040  -0.581   2.770
 1403TIP3   OH248404   1.594   1.270   2.691
 1403TIP3    H148405   1.533   1.331   2.646
 1403TIP3    H248406   1.557   1.271   2.780
 1403TIP3   OH248407   1.844   1.247   2.548
 1403TIP3    H148408   1.757   1.263   2.589
 1403TIP3    H248409   1.844   1.314   2.477
 1403TIP3   OH248410   2.366   1.229   2.499
 1403TIP3    H148411   2.305   1.268   2.433
 1403TIP3    H248412   2.359   1.297   2.569
 1403TIP3   OH248413   2.765   1.270   2.595
 1403TIP3    H148414   2.762   1.367   2.599
 1403TIP3    H248415   2.826   1.259   2.521
 1403TIP3   OH248416   1.552   1.150   2.387
 1403TIP3    H148417   1.549   1.098   2.470
 1403TIP3    H248418   1.624   1.104   2.339
 1403TIP3   OH248419   1.748   1.022   2.231
 1403TIP3    H148420   1.736   0.927   2.250
 1403TIP3    H248421   1.841   1.036   2.255
 1403TIP3   OH248422   2.039   1.073   2.317
 1403TIP3    H148423   2.043   0.980   2.290
 1403TIP3    H248424   2.030   1.063   2.413
 1403TIP3   OH248425   2.362  -0.342   2.245
 1403TIP3    H148426   2.292  -0.409   2.261
 1403TIP3    H248427   2.415  -0.386   2.178
 1404TIP3   OH248428   2.856  -0.535   2.292
 1404TIP3    H148429   2.930  -0.493   2.244
 1404TIP3    H248430   2.779  -0.510   2.239
 1404TIP3   OH248431   3.074  -0.425   2.092
 1404TIP3    H148432   3.126  -0.461   2.019
 1404TIP3    H248433   3.089  -0.329   2.083
 1404TIP3   OH248434   2.040  -0.485   1.997
 1404TIP3    H148435   2.129  -0.463   1.968
 1404TIP3    H248436   2.052  -0.504   2.090
 1404TIP3   OH248437   2.615  -0.491   2.134
 1404TIP3    H148438   2.614  -0.497   2.037
 1404TIP3    H248439   2.561  -0.569   2.159
 1404TIP3   OH248440   2.133  -0.318   1.692
 1404TIP3    H148441   2.194  -0.381   1.732
 1404TIP3    H248442   2.185  -0.237   1.695
 1404TIP3   OH248443   2.355   1.243   1.508
 1404TIP3    H148444   2.452   1.245   1.504
 1404TIP3    H248445   2.336   1.177   1.438
 1404TIP3   OH248446   3.013   1.162   1.778
 1404TIP3    H148447   2.988   1.078   1.734
 1404TIP3    H248448   3.007   1.224   1.704
 1404TIP3   OH248449   1.576  -0.445   2.958
 1404TIP3    H148450   1.534  -0.526   2.992
 1404TIP3    H248451   1.668  -0.459   2.985
 1404TIP3   OH248452   1.813  -0.508   3.130
 1404TIP3    H148453   1.895  -0.544   3.090
 1404TIP3    H248454   1.778  -0.587   3.173
 1404TIP3   OH248455   1.667   1.215   1.408
 1404TIP3    H148456   1.596   1.223   1.474
 1404TIP3    H248457   1.680   1.119   1.406
 1405TIP3   OH248458   2.626  -0.598   3.146
 1405TIP3    H148459   2.627  -0.639   3.234
 1405TIP3    H248460   2.720  -0.600   3.122
 1405TIP3   OH248461   2.966   1.039   3.011
 1405TIP3    H148462   2.888   1.016   2.957
 1405TIP3    H248463   2.945   1.130   3.037
 1405TIP3   OH248464   4.207   0.326   2.341
 1405TIP3    H148465   4.286   0.336   2.396
 1405TIP3    H248466   4.244   0.304   2.255
 1405TIP3   OH248467   3.505   0.314   2.505
 1405TIP3    H148468   3.507   0.236   2.563
 1405TIP3    H248469   3.582   0.363   2.539
 1405TIP3   OH248470   3.581   0.767   2.347
 1405TIP3    H148471   3.557   0.676   2.323
 1405TIP3    H248472   3.672   0.754   2.379
 1405TIP3   OH248473   3.258   0.117   1.911
 1405TIP3    H148474   3.232   0.204   1.877
 1405TIP3    H248475   3.211   0.058   1.850
 1405TIP3   OH248476   4.121   0.603   2.401
 1405TIP3    H148477   4.143   0.522   2.350
 1405TIP3    H248478   4.202   0.616   2.450
 1405TIP3   OH248479   3.743  -0.166   2.160
 1405TIP3    H148480   3.759  -0.081   2.115
 1405TIP3    H248481   3.711  -0.219   2.085
 1405TIP3   OH248482   3.947   0.241   2.153
 1405TIP3    H148483   4.024   0.191   2.185
 1405TIP3    H248484   3.900   0.171   2.103
 1405TIP3   OH248485   3.623  -0.265   2.549
 1405TIP3    H148486   3.588  -0.200   2.486
 1405TIP3    H248487   3.557  -0.259   2.621
 1406TIP3   OH248488   3.915   0.497   2.581
 1406TIP3    H148489   3.842   0.557   2.607
 1406TIP3    H248490   3.981   0.558   2.545
 1406TIP3   OH248491   3.555  -0.053   2.349
 1406TIP3    H148492   3.621   0.001   2.397
 1406TIP3    H248493   3.610  -0.084   2.274
 1406TIP3   OH248494   3.713   0.688   2.648
 1406TIP3    H148495   3.713   0.783   2.625
 1406TIP3    H248496   3.629   0.681   2.697
 1406TIP3   OH248497   3.341   0.660   1.743
 1406TIP3    H148498   3.329   0.707   1.659
 1406TIP3    H248499   3.362   0.732   1.806
 1406TIP3   OH248500   4.043  -0.539   2.280
 1406TIP3    H148501   4.018  -0.633   2.282
 1406TIP3    H248502   3.964  -0.498   2.320
 1406TIP3   OH248503   4.269   0.344   1.746
 1406TIP3    H148504   4.200   0.410   1.730
 1406TIP3    H248505   4.331   0.364   1.676
 1406TIP3   OH248506   4.289   0.189   1.466
 1406TIP3    H148507   4.372   0.186   1.517
 1406TIP3    H248508   4.296   0.111   1.409
 1406TIP3   OH248509   3.763   0.435   2.040
 1406TIP3    H148510   3.728   0.390   1.961
 1406TIP3    H248511   3.825   0.368   2.075
 1406TIP3   OH248512   3.900   0.780   2.313
 1406TIP3    H148513   3.889   0.733   2.229
 1406TIP3    H248514   3.976   0.732   2.352
 1406TIP3   OH248515   3.807   0.323   2.387
 1406TIP3    H148516   3.870   0.312   2.313
 1406TIP3    H248517   3.857   0.379   2.449
 1407TIP3   OH248518   3.905   0.752   2.871
 1407TIP3    H148519   3.852   0.815   2.923
 1407TIP3    H248520   3.839   0.722   2.805
 1407TIP3   OH248521   3.594   0.391   2.784
 1407TIP3    H148522   3.599   0.444   2.865
 1407TIP3    H248523   3.499   0.372   2.778
 1407TIP3   OH248524   4.208   0.982   1.986
 1407TIP3    H148525   4.300   0.992   2.016
 1407TIP3    H248526   4.211   1.015   1.894
 1407TIP3   OH248527   3.710   0.966   2.956
 1407TIP3    H148528   3.699   0.967   2.859
 1407TIP3    H248529   3.623   0.939   2.989
 1407TIP3   OH248530   3.651   0.309   1.794
 1407TIP3    H148531   3.632   0.385   1.736
 1407TIP3    H248532   3.587   0.244   1.763
 1407TIP3   OH248533   3.259   0.574   2.662
 1407TIP3    H148534   3.202   0.572   2.583
 1407TIP3    H248535   3.270   0.480   2.685
 1407TIP3   OH248536   3.260   0.864   2.363
 1407TIP3    H148537   3.354   0.841   2.366
 1407TIP3    H248538   3.255   0.930   2.434
 1407TIP3   OH248539   4.171   0.855   2.818
 1407TIP3    H148540   4.179   0.939   2.865
 1407TIP3    H248541   4.082   0.822   2.844
 1407TIP3   OH248542   4.196   1.234   1.833
 1407TIP3    H148543   4.198   1.219   1.737
 1407TIP3    H248544   4.209   1.329   1.840
 1407TIP3   OH248545   3.577   1.145   1.976
 1407TIP3    H148546   3.588   1.101   2.062
 1407TIP3    H248547   3.492   1.109   1.946
 1408TIP3   OH248548   3.475   0.731   2.791
 1408TIP3    H148549   3.503   0.685   2.874
 1408TIP3    H248550   3.404   0.673   2.757
 1408TIP3   OH248551   3.795  -0.425   2.369
 1408TIP3    H148552   3.715  -0.432   2.315
 1408TIP3    H248553   3.772  -0.347   2.422
 1408TIP3   OH248554   4.234  -0.488   2.793
 1408TIP3    H148555   4.247  -0.558   2.860
 1408TIP3    H248556   4.143  -0.508   2.763
 1408TIP3   OH248557   4.233  -0.208   1.471
 1408TIP3    H148558   4.167  -0.227   1.539
 1408TIP3    H248559   4.206  -0.271   1.402
 1408TIP3   OH248560   3.764   0.050   2.503
 1408TIP3    H148561   3.720   0.062   2.589
 1408TIP3    H248562   3.782   0.141   2.475
 1408TIP3   OH248563   3.774   0.062   1.999
 1408TIP3    H148564   3.678   0.050   1.988
 1408TIP3    H248565   3.805   0.044   1.908
 1408TIP3   OH248566   4.270   0.099   1.934
 1408TIP3    H148567   4.280   0.194   1.913
 1408TIP3    H248568   4.360   0.066   1.947
 1408TIP3   OH248569   4.250   0.146   3.031
 1408TIP3    H148570   4.194   0.065   3.045
 1408TIP3    H248571   4.337   0.102   3.029
 1408TIP3   OH248572   3.509   0.074   2.694
 1408TIP3    H148573   3.547   0.102   2.778
 1408TIP3    H248574   3.483  -0.018   2.715
 1408TIP3   OH248575   3.862  -0.164   1.353
 1408TIP3    H148576   3.820  -0.206   1.430
 1408TIP3    H248577   3.788  -0.150   1.293
 1409TIP3   OH248578   3.205  -0.159   2.065
 1409TIP3    H148579   3.264  -0.193   2.135
 1409TIP3    H248580   3.233  -0.210   1.986
 1409TIP3   OH248581   3.351  -0.140   1.628
 1409TIP3    H148582   3.408  -0.094   1.563
 1409TIP3    H248583   3.281  -0.074   1.641
 1409TIP3   OH248584   4.345   0.201   2.632
 1409TIP3    H148585   4.378   0.136   2.568
 1409TIP3    H248586   4.274   0.149   2.673
 1409TIP3   OH248587   4.047  -0.198   2.101
 1409TIP3    H148588   3.954  -0.189   2.127
 1409TIP3    H248589   4.091  -0.180   2.186
 1409TIP3   OH248590   3.513  -0.047   1.991
 1409TIP3    H148591   3.428  -0.023   1.949
 1409TIP3    H248592   3.540  -0.127   1.943
 1409TIP3   OH248593   3.869  -0.023   1.734
 1409TIP3    H148594   3.965  -0.012   1.741
 1409TIP3    H248595   3.844   0.038   1.662
 1409TIP3   OH248596   3.722   0.104   1.513
 1409TIP3    H148597   3.662   0.076   1.442
 1409TIP3    H248598   3.803   0.120   1.462
 1409TIP3   OH248599   3.582   0.578   3.010
 1409TIP3    H148600   3.650   0.586   3.081
 1409TIP3    H248601   3.502   0.574   3.065
 1409TIP3   OH248602   4.140   0.042   2.243
 1409TIP3    H148603   4.216   0.007   2.197
 1409TIP3    H248604   4.163   0.026   2.336
 1409TIP3   OH248605   3.673  -0.275   1.908
 1409TIP3    H148606   3.621  -0.357   1.915
 1409TIP3    H248607   3.752  -0.305   1.860
 1410TIP3   OH248608   4.050  -0.089   2.511
 1410TIP3    H148609   3.979  -0.024   2.497
 1410TIP3    H248610   4.102  -0.048   2.584
 1410TIP3   OH248611   4.071   0.550   1.700
 1410TIP3    H148612   3.994   0.501   1.663
 1410TIP3    H248613   4.048   0.555   1.796
 1410TIP3   OH248614   4.198   0.547   2.821
 1410TIP3    H148615   4.188   0.535   2.916
 1410TIP3    H248616   4.214   0.642   2.812
 1410TIP3   OH248617   3.557   0.485   2.261
 1410TIP3    H148618   3.625   0.485   2.191
 1410TIP3    H248619   3.589   0.414   2.318
 1410TIP3   OH248620   4.287   0.689   1.600
 1410TIP3    H148621   4.260   0.778   1.629
 1410TIP3    H248622   4.210   0.636   1.629
 1410TIP3   OH248623   3.297   0.326   2.802
 1410TIP3    H148624   3.322   0.290   2.890
 1410TIP3    H248625   3.243   0.254   2.766
 1410TIP3   OH248626   4.002   0.280   3.003
 1410TIP3    H148627   3.972   0.249   2.916
 1410TIP3    H248628   4.095   0.252   3.001
 1410TIP3   OH248629   3.813   0.828   2.003
 1410TIP3    H148630   3.857   0.914   1.991
 1410TIP3    H248631   3.722   0.848   1.979
 1410TIP3   OH248632   3.415   0.308   1.471
 1410TIP3    H148633   3.477   0.375   1.505
 1410TIP3    H248634   3.329   0.347   1.492
 1410TIP3   OH248635   3.997   0.600   1.967
 1410TIP3    H148636   3.963   0.689   1.981
 1410TIP3    H248637   3.927   0.546   2.008
 1411TIP3   OH248638   4.018   1.027   2.608
 1411TIP3    H148639   4.075   1.097   2.571
 1411TIP3    H248640   4.083   0.974   2.657
 1411TIP3   OH248641   3.868   1.124   1.937
 1411TIP3    H148642   3.771   1.128   1.938
 1411TIP3    H248643   3.891   1.218   1.955
 1411TIP3   OH248644   3.440  -0.207   2.759
 1411TIP3    H148645   3.347  -0.185   2.742
 1411TIP3    H248646   3.431  -0.292   2.807
 1411TIP3   OH248647   3.414   0.967   2.605
 1411TIP3    H148648   3.443   0.877   2.627
 1411TIP3    H248649   3.431   1.011   2.690
 1411TIP3   OH248650   3.995   0.840   1.311
 1411TIP3    H148651   4.028   0.765   1.256
 1411TIP3    H248652   3.955   0.791   1.385
 1411TIP3   OH248653   3.885   0.781   1.585
 1411TIP3    H148654   3.934   0.729   1.650
 1411TIP3    H248655   3.898   0.873   1.616
 1411TIP3   OH248656   3.565   0.530   1.619
 1411TIP3    H148657   3.494   0.570   1.672
 1411TIP3    H248658   3.614   0.609   1.589
 1411TIP3   OH248659   4.335  -0.181   2.677
 1411TIP3    H148660   4.391  -0.257   2.695
 1411TIP3    H248661   4.273  -0.218   2.613
 1411TIP3   OH248662   4.174   0.961   1.650
 1411TIP3    H148663   4.084   0.999   1.650
 1411TIP3    H248664   4.210   0.997   1.568
 1411TIP3   OH248665   4.127  -0.101   1.838
 1411TIP3    H148666   4.187  -0.026   1.862
 1411TIP3    H248667   4.094  -0.120   1.928
 1412TIP3   OH248668   4.168   0.012   2.760
 1412TIP3    H148669   4.185   0.055   2.844
 1412TIP3    H248670   4.233  -0.061   2.758
 1412TIP3   OH248671   4.193  -0.384   1.958
 1412TIP3    H148672   4.165  -0.306   2.012
 1412TIP3    H248673   4.272  -0.349   1.913
 1412TIP3   OH248674   3.899   1.054   1.642
 1412TIP3    H148675   3.891   1.132   1.583
 1412TIP3    H248676   3.882   1.094   1.729
 1412TIP3   OH248677   3.767  -0.277   1.592
 1412TIP3    H148678   3.774  -0.197   1.646
 1412TIP3    H248679   3.850  -0.324   1.614
 1412TIP3   OH248680   3.611   0.809   1.497
 1412TIP3    H148681   3.684   0.859   1.535
 1412TIP3    H248682   3.658   0.761   1.428
 1412TIP3   OH248683   3.425   0.028   1.411
 1412TIP3    H148684   3.437   0.123   1.429
 1412TIP3    H248685   3.345   0.027   1.357
 1412TIP3   OH248686   3.511  -0.466   2.282
 1412TIP3    H148687   3.496  -0.474   2.186
 1412TIP3    H248688   3.483  -0.553   2.316
 1412TIP3   OH248689   3.404   0.881   1.914
 1412TIP3    H148690   3.327   0.934   1.937
 1412TIP3    H248691   3.443   0.934   1.843
 1412TIP3   OH248692   3.347   1.172   3.026
 1412TIP3    H148693   3.403   1.147   3.101
 1412TIP3    H248694   3.306   1.087   3.001
 1412TIP3   OH248695   3.816   1.080   3.206
 1412TIP3    H148696   3.882   1.012   3.227
 1412TIP3    H248697   3.790   1.053   3.117
 1413TIP3   OH248698   4.229   1.000   1.348
 1413TIP3    H148699   4.146   0.948   1.339
 1413TIP3    H248700   4.293   0.931   1.327
 1413TIP3   OH248701   3.343   0.538   3.139
 1413TIP3    H148702   3.350   0.445   3.111
 1413TIP3    H248703   3.263   0.566   3.091
 1413TIP3   OH248704   3.763   0.580   1.343
 1413TIP3    H148705   3.781   0.518   1.416
 1413TIP3    H248706   3.847   0.575   1.293
 1413TIP3   OH248707   4.007   0.557   3.073
 1413TIP3    H148708   3.980   0.588   2.985
 1413TIP3    H248709   4.016   0.460   3.060
 1413TIP3   OH248710   4.260   0.711   1.298
 1413TIP3    H148711   4.280   0.720   1.393
 1413TIP3    H248712   4.245   0.616   1.290
 1413TIP3   OH248713   3.427   0.254   3.054
 1413TIP3    H148714   3.498   0.186   3.053
 1413TIP3    H248715   3.421   0.271   3.149
 1413TIP3   OH248716   3.872   0.385   1.575
 1413TIP3    H148717   3.810   0.333   1.629
 1413TIP3    H248718   3.904   0.317   1.512
 1413TIP3   OH248719   3.793   0.162   2.789
 1413TIP3    H148720   3.744   0.239   2.822
 1413TIP3    H248721   3.859   0.204   2.731
 1413TIP3   OH248722   3.978   0.188   1.405
 1413TIP3    H148723   3.968   0.191   1.308
 1413TIP3    H248724   4.075   0.197   1.414
 1413TIP3   OH248725   4.285   0.412   3.171
 1413TIP3    H148726   4.354   0.379   3.113
 1413TIP3    H248727   4.267   0.332   3.223
 1414TIP3   OH248728   3.856  -0.106   2.917
 1414TIP3    H148729   3.862  -0.174   2.847
 1414TIP3    H248730   3.837  -0.026   2.865
 1414TIP3   OH248731   3.882  -0.261   2.657
 1414TIP3    H148732   3.936  -0.207   2.596
 1414TIP3    H248733   3.793  -0.254   2.618
 1414TIP3   OH248734   4.059   0.278   2.690
 1414TIP3    H148735   4.136   0.274   2.632
 1414TIP3    H248736   4.030   0.370   2.676
 1414TIP3   OH248737   3.673   0.079   3.086
 1414TIP3    H148738   3.618  -0.000   3.096
 1414TIP3    H248739   3.756   0.041   3.051
 1414TIP3   OH248740   3.973  -0.523   2.694
 1414TIP3    H148741   3.947  -0.430   2.678
 1414TIP3    H248742   3.906  -0.571   2.641
 1414TIP3   OH248743   4.101  -0.078   3.070
 1414TIP3    H148744   4.070  -0.111   3.155
 1414TIP3    H248745   4.027  -0.105   3.013
 1414TIP3   OH248746   3.534  -0.178   3.076
 1414TIP3    H148747   3.532  -0.252   3.014
 1414TIP3    H248748   3.520  -0.223   3.161
 1414TIP3   OH248749   3.947  -0.576   2.979
 1414TIP3    H148750   4.002  -0.655   2.987
 1414TIP3    H248751   3.947  -0.561   2.883
 1414TIP3   OH248752   4.041  -0.393   3.173
 1414TIP3    H148753   4.009  -0.456   3.105
 1414TIP3    H248754   3.967  -0.332   3.181
 1414TIP3   OH248755   3.958   1.306   1.514
 1414TIP3    H148756   4.054   1.316   1.517
 1414TIP3    H248757   3.938   1.356   1.433
 1415TIP3   OH248758   3.336   0.747   1.469
 1415TIP3    H148759   3.432   0.768   1.477
 1415TIP3    H248760   3.337   0.673   1.406
 1415TIP3   OH248761   3.236   1.269   1.936
 1415TIP3    H148762   3.163   1.234   1.882
 1415TIP3    H248763   3.242   1.202   2.007
 1415TIP3   OH248764   3.273   1.072   2.138
 1415TIP3    H148765   3.243   0.985   2.170
 1415TIP3    H248766   3.307   1.110   2.220
 1415TIP3   OH248767   3.291   0.368   2.324
 1415TIP3    H148768   3.343   0.421   2.261
 1415TIP3    H248769   3.357   0.367   2.397
 1415TIP3   OH248770   3.274  -0.058   3.009
 1415TIP3    H148771   3.367  -0.085   3.025
 1415TIP3    H248772   3.228  -0.143   3.023
 1415TIP3   OH248773   3.342  -0.221   2.307
 1415TIP3    H148774   3.392  -0.305   2.311
 1415TIP3    H248775   3.415  -0.157   2.325
 1415TIP3   OH248776   3.230  -0.315   1.816
 1415TIP3    H148777   3.139  -0.316   1.781
 1415TIP3    H248778   3.279  -0.267   1.747
 1415TIP3   OH248779   3.256  -0.432   2.624
 1415TIP3    H148780   3.189  -0.464   2.687
 1415TIP3    H248781   3.201  -0.393   2.556
 1415TIP3   OH248782   3.456   0.877   3.090
 1415TIP3    H148783   3.383   0.874   3.027
 1415TIP3    H248784   3.411   0.870   3.175
 1415TIP3   OH248785   3.740   0.971   2.655
 1415TIP3    H148786   3.710   1.058   2.624
 1415TIP3    H248787   3.836   0.982   2.639
 1416TIP3   OH248788   4.220   1.138   2.947
 1416TIP3    H148789   4.204   1.100   3.035
 1416TIP3    H248790   4.316   1.158   2.955
 1416TIP3   OH248791   3.476   1.268   2.690
 1416TIP3    H148792   3.416   1.332   2.647
 1416TIP3    H248793   3.445   1.273   2.781
 1416TIP3   OH248794   3.726   1.245   2.545
 1416TIP3    H148795   3.643   1.265   2.592
 1416TIP3    H248796   3.729   1.317   2.479
 1416TIP3   OH248797   4.180   1.236   2.473
 1416TIP3    H148798   4.150   1.314   2.425
 1416TIP3    H248799   4.250   1.273   2.527
 1416TIP3   OH248800   3.434   1.147   2.384
 1416TIP3    H148801   3.434   1.101   2.470
 1416TIP3    H248802   3.512   1.106   2.342
 1416TIP3   OH248803   3.638   1.022   2.232
 1416TIP3    H148804   3.622   0.928   2.255
 1416TIP3    H248805   3.727   1.036   2.268
 1416TIP3   OH248806   3.952   1.086   2.291
 1416TIP3    H148807   3.940   0.990   2.291
 1416TIP3    H248808   3.935   1.107   2.385
 1416TIP3   OH248809   4.262  -0.371   2.251
 1416TIP3    H148810   4.180  -0.422   2.262
 1416TIP3    H248811   4.299  -0.412   2.172
 1416TIP3   OH248812   3.477  -0.487   2.000
 1416TIP3    H148813   3.392  -0.500   1.952
 1416TIP3    H248814   3.521  -0.572   1.983
 1416TIP3   OH248815   3.375  -0.525   1.597
 1416TIP3    H148816   3.416  -0.456   1.543
 1416TIP3    H248817   3.317  -0.474   1.656
 1417TIP3   OH248818   3.931  -0.489   1.995
 1417TIP3    H148819   4.023  -0.458   1.982
 1417TIP3    H248820   3.929  -0.498   2.091
 1417TIP3   OH248821   3.380   1.075   1.709
 1417TIP3    H148822   3.317   1.063   1.637
 1417TIP3    H248823   3.378   1.172   1.716
 1417TIP3   OH248824   3.533  -0.339   1.438
 1417TIP3    H148825   3.591  -0.394   1.383
 1417TIP3    H248826   3.595  -0.308   1.506
 1417TIP3   OH248827   4.063  -0.321   1.691
 1417TIP3    H148828   4.067  -0.383   1.765
 1417TIP3    H248829   4.064  -0.235   1.738
 1417TIP3   OH248830   4.263   1.239   1.518
 1417TIP3    H148831   4.350   1.277   1.500
 1417TIP3    H248832   4.249   1.180   1.442
 1417TIP3   OH248833   3.464  -0.446   2.955
 1417TIP3    H148834   3.419  -0.525   2.991
 1417TIP3    H248835   3.554  -0.462   2.987
 1417TIP3   OH248836   3.696  -0.510   3.128
 1417TIP3    H148837   3.779  -0.546   3.091
 1417TIP3    H248838   3.664  -0.587   3.177
 1417TIP3   OH248839   3.522   1.168   1.388
 1417TIP3    H148840   3.500   1.198   1.477
 1417TIP3    H248841   3.600   1.113   1.402
 1417TIP3   OH248842  -3.163   2.292   2.034
 1417TIP3    H148843  -3.161   2.389   2.033
 1417TIP3    H248844  -3.235   2.274   1.972
 1417TIP3   OH248845  -3.283   2.238   2.344
 1417TIP3    H148846  -3.280   2.171   2.415
 1417TIP3    H248847  -3.301   2.182   2.267
 1418TIP3   OH248848  -4.035   2.203   2.511
 1418TIP3    H148849  -4.027   2.125   2.567
 1418TIP3    H248850  -3.954   2.252   2.531
 1418TIP3   OH248851  -2.911   2.512   2.170
 1418TIP3    H148852  -2.941   2.434   2.220
 1418TIP3    H248853  -2.874   2.566   2.240
 1418TIP3   OH248854  -3.957   2.657   2.350
 1418TIP3    H148855  -3.987   2.567   2.327
 1418TIP3    H248856  -3.865   2.638   2.374
 1418TIP3   OH248857  -4.207   1.979   1.817
 1418TIP3    H148858  -4.168   2.023   1.894
 1418TIP3    H248859  -4.218   1.888   1.848
 1418TIP3   OH248860  -4.208   2.222   2.100
 1418TIP3    H148861  -4.164   2.145   2.141
 1418TIP3    H248862  -4.136   2.258   2.047
 1418TIP3   OH248863  -3.209   3.039   2.218
 1418TIP3    H148864  -3.141   2.973   2.197
 1418TIP3    H248865  -3.226   3.026   2.312
 1418TIP3   OH248866  -3.380   2.501   2.410
 1418TIP3    H148867  -3.381   2.440   2.333
 1418TIP3    H248868  -3.354   2.437   2.477
 1418TIP3   OH248869  -2.562   1.639   2.457
 1418TIP3    H148870  -2.535   1.698   2.529
 1418TIP3    H248871  -2.498   1.666   2.387
 1418TIP3   OH248872  -3.099   1.919   2.443
 1418TIP3    H148873  -3.080   1.824   2.451
 1418TIP3    H248874  -3.106   1.929   2.347
 1418TIP3   OH248875  -3.788   1.710   2.166
 1418TIP3    H148876  -3.829   1.798   2.162
 1418TIP3    H248877  -3.829   1.668   2.087
 1419TIP3   OH248878  -3.014   1.739   1.986
 1419TIP3    H148879  -2.956   1.696   2.052
 1419TIP3    H248880  -2.948   1.781   1.929
 1419TIP3   OH248881  -3.611   2.109   2.131
 1419TIP3    H148882  -3.547   2.053   2.178
 1419TIP3    H248883  -3.679   2.045   2.105
 1419TIP3   OH248884  -2.487   1.773   2.705
 1419TIP3    H148885  -2.547   1.845   2.678
 1419TIP3    H248886  -2.502   1.774   2.801
 1419TIP3   OH248887  -3.898   1.656   2.579
 1419TIP3    H148888  -3.926   1.676   2.489
 1419TIP3    H248889  -3.984   1.637   2.622
 1419TIP3   OH248890  -3.174   2.573   1.912
 1419TIP3    H148891  -3.199   2.547   1.823
 1419TIP3    H248892  -3.218   2.660   1.923
 1419TIP3   OH248893  -3.621   2.394   2.575
 1419TIP3    H148894  -3.701   2.439   2.609
 1419TIP3    H248895  -3.569   2.469   2.545
 1419TIP3   OH248896  -2.832   1.662   2.187
 1419TIP3    H148897  -2.869   1.600   2.252
 1419TIP3    H248898  -2.778   1.719   2.244
 1419TIP3   OH248899  -3.827   2.572   2.654
 1419TIP3    H148900  -3.831   2.665   2.623
 1419TIP3    H248901  -3.916   2.566   2.694
 1419TIP3   OH248902  -4.181   2.539   1.743
 1419TIP3    H148903  -4.264   2.554   1.692
 1419TIP3    H248904  -4.193   2.598   1.819
 1419TIP3   OH248905  -2.888   2.697   2.428
 1419TIP3    H148906  -2.951   2.769   2.416
 1419TIP3    H248907  -2.812   2.740   2.385
 1420TIP3   OH248908  -2.819   1.576   2.571
 1420TIP3    H148909  -2.895   1.615   2.525
 1420TIP3    H248910  -2.746   1.595   2.510
 1420TIP3   OH248911  -3.506   1.349   2.278
 1420TIP3    H148912  -3.526   1.254   2.270
 1420TIP3    H248913  -3.590   1.383   2.315
 1420TIP3   OH248914  -3.017   2.879   2.091
 1420TIP3    H148915  -2.976   2.802   2.046
 1420TIP3    H248916  -2.956   2.950   2.064
 1420TIP3   OH248917  -2.883   2.675   1.939
 1420TIP3    H148918  -2.919   2.623   1.865
 1420TIP3    H248919  -2.883   2.608   2.010
 1420TIP3   OH248920  -2.738   2.556   2.784
 1420TIP3    H148921  -2.730   2.485   2.717
 1420TIP3    H248922  -2.703   2.633   2.737
 1420TIP3   OH248923  -3.293   2.247   1.759
 1420TIP3    H148924  -3.362   2.299   1.714
 1420TIP3    H248925  -3.223   2.245   1.691
 1420TIP3   OH248926  -3.267   2.062   1.463
 1420TIP3    H148927  -3.195   2.093   1.521
 1420TIP3    H248928  -3.218   2.003   1.403
 1420TIP3   OH248929  -2.546   2.167   2.580
 1420TIP3    H148930  -2.617   2.234   2.590
 1420TIP3    H248931  -2.497   2.202   2.503
 1420TIP3   OH248932  -2.945   2.243   1.864
 1420TIP3    H148933  -3.013   2.261   1.933
 1420TIP3    H248934  -2.883   2.186   1.914
 1420TIP3   OH248935  -2.961   2.093   2.745
 1420TIP3    H148936  -2.955   2.169   2.804
 1420TIP3    H248937  -3.023   2.129   2.680
 1421TIP3   OH248938  -3.774   2.324   2.037
 1421TIP3    H148939  -3.819   2.282   1.960
 1421TIP3    H248940  -3.723   2.248   2.071
 1421TIP3   OH248941  -3.642   2.658   2.315
 1421TIP3    H148942  -3.660   2.619   2.228
 1421TIP3    H248943  -3.560   2.615   2.342
 1421TIP3   OH248944  -3.712   2.191   2.395
 1421TIP3    H148945  -3.667   2.207   2.311
 1421TIP3    H248946  -3.682   2.265   2.451
 1421TIP3   OH248947  -3.641   2.634   2.869
 1421TIP3    H148948  -3.692   2.697   2.923
 1421TIP3    H248949  -3.709   2.607   2.804
 1421TIP3   OH248950  -3.050   2.190   1.609
 1421TIP3    H148951  -3.001   2.214   1.690
 1421TIP3    H248952  -3.000   2.239   1.540
 1421TIP3   OH248953  -3.951   2.257   2.796
 1421TIP3    H148954  -3.943   2.322   2.868
 1421TIP3    H248955  -4.044   2.266   2.772
 1421TIP3   OH248956  -3.294   2.848   1.964
 1421TIP3    H148957  -3.247   2.879   2.043
 1421TIP3    H248958  -3.361   2.916   1.951
 1421TIP3   OH248959  -3.835   2.844   2.957
 1421TIP3    H148960  -3.846   2.851   2.860
 1421TIP3    H248961  -3.927   2.831   2.987
 1421TIP3   OH248962  -2.707   1.363   1.555
 1421TIP3    H148963  -2.792   1.372   1.602
 1421TIP3    H248964  -2.670   1.452   1.563
 1421TIP3   OH248965  -3.885   2.195   1.797
 1421TIP3    H148966  -3.919   2.265   1.739
 1421TIP3    H248967  -3.946   2.122   1.780
 1422TIP3   OH248968  -2.567   2.777   1.417
 1422TIP3    H148969  -2.550   2.871   1.438
 1422TIP3    H248970  -2.479   2.736   1.431
 1422TIP3   OH248971  -4.264   2.467   2.653
 1422TIP3    H148972  -4.298   2.444   2.565
 1422TIP3    H248973  -4.294   2.391   2.705
 1422TIP3   OH248974  -4.277   2.763   2.339
 1422TIP3    H148975  -4.198   2.713   2.363
 1422TIP3    H248976  -4.306   2.797   2.424
 1422TIP3   OH248977  -2.443   2.815   2.935
 1422TIP3    H148978  -2.453   2.719   2.922
 1422TIP3    H248979  -2.533   2.838   2.967
 1422TIP3   OH248980  -3.378   2.742   2.815
 1422TIP3    H148981  -3.371   2.821   2.873
 1422TIP3    H248982  -3.467   2.709   2.840
 1422TIP3   OH248983  -3.974   3.031   1.978
 1422TIP3    H148984  -3.955   2.989   2.065
 1422TIP3    H248985  -4.053   2.980   1.953
 1422TIP3   OH248986  -3.018   3.064   1.532
 1422TIP3    H148987  -2.960   3.001   1.485
 1422TIP3    H248988  -3.013   3.029   1.623
 1422TIP3   OH248989  -3.097   3.058   1.820
 1422TIP3    H148990  -3.183   3.016   1.809
 1422TIP3    H248991  -3.046   2.984   1.857
 1422TIP3   OH248992  -2.763   1.954   2.979
 1422TIP3    H148993  -2.815   1.987   2.905
 1422TIP3    H248994  -2.759   1.858   2.960
 1422TIP3   OH248995  -4.069   2.614   2.789
 1422TIP3    H148996  -4.045   2.562   2.868
 1422TIP3    H248997  -4.150   2.569   2.757
 1423TIP3   OH248998  -3.753   1.457   2.376
 1423TIP3    H148999  -3.832   1.453   2.320
 1423TIP3    H249000  -3.756   1.549   2.406
 1423TIP3   OH249001  -3.311   1.420   2.730
 1423TIP3    H149002  -3.260   1.368   2.794
 1423TIP3    H249003  -3.403   1.394   2.748
 1423TIP3   OH249004  -3.000   1.799   2.780
 1423TIP3    H149005  -3.053   1.784   2.861
 1423TIP3    H249006  -3.000   1.895   2.771
 1423TIP3   OH249007  -2.894   2.298   1.411
 1423TIP3    H149008  -2.915   2.278   1.317
 1423TIP3    H249009  -2.799   2.318   1.403
 1423TIP3   OH249010  -3.330   1.672   1.460
 1423TIP3    H149011  -3.379   1.658   1.542
 1423TIP3    H249012  -3.371   1.605   1.403
 1423TIP3   OH249013  -3.783   1.927   2.509
 1423TIP3    H149014  -3.873   1.949   2.538
 1423TIP3    H249015  -3.771   1.995   2.439
 1423TIP3   OH249016  -3.208   2.007   1.877
 1423TIP3    H149017  -3.249   2.088   1.840
 1423TIP3    H249018  -3.139   1.989   1.810
 1423TIP3   OH249019  -3.290   2.025   3.009
 1423TIP3    H149020  -3.339   1.948   3.044
 1423TIP3    H249021  -3.202   2.014   3.050
 1423TIP3   OH249022  -3.128   1.947   2.155
 1423TIP3    H149023  -3.156   2.002   2.079
 1423TIP3    H249024  -3.104   1.865   2.107
 1423TIP3   OH249025  -4.003   1.941   2.699
 1423TIP3    H149026  -4.020   2.003   2.772
 1423TIP3    H249027  -4.070   1.872   2.714
 1424TIP3   OH249028  -3.686   1.714   1.352
 1424TIP3    H149029  -3.724   1.681   1.435
 1424TIP3    H249030  -3.764   1.732   1.298
 1424TIP3   OH249031  -4.333   1.699   2.070
 1424TIP3    H149032  -4.278   1.705   2.150
 1424TIP3    H249033  -4.273   1.660   2.006
 1424TIP3   OH249034  -4.211   1.749   1.630
 1424TIP3    H149035  -4.147   1.785   1.567
 1424TIP3    H249036  -4.277   1.819   1.634
 1424TIP3   OH249037  -3.217   2.113   2.596
 1424TIP3    H149038  -3.168   2.041   2.548
 1424TIP3    H249039  -3.242   2.067   2.677
 1424TIP3   OH249040  -3.500   1.710   2.101
 1424TIP3    H149041  -3.596   1.706   2.121
 1424TIP3    H249042  -3.461   1.687   2.187
 1424TIP3   OH249043  -3.683   1.856   1.744
 1424TIP3    H149044  -3.591   1.879   1.762
 1424TIP3    H249045  -3.716   1.930   1.689
 1424TIP3   OH249046  -3.052   1.624   2.402
 1424TIP3    H149047  -3.117   1.622   2.475
 1424TIP3    H249048  -3.108   1.588   2.330
 1424TIP3   OH249049  -3.822   1.987   1.515
 1424TIP3    H149050  -3.880   1.957   1.444
 1424TIP3    H249051  -3.739   2.004   1.467
 1424TIP3   OH249052  -2.751   3.199   3.066
 1424TIP3    H149053  -2.727   3.247   2.985
 1424TIP3    H249054  -2.684   3.231   3.128
 1424TIP3   OH249055  -3.955   2.461   3.011
 1424TIP3    H149056  -3.893   2.466   3.087
 1424TIP3    H249057  -4.040   2.471   3.059
 1425TIP3   OH249058  -3.398   1.954   2.300
 1425TIP3    H149059  -3.328   1.921   2.242
 1425TIP3    H249060  -3.398   1.888   2.371
 1425TIP3   OH249061  -3.871   1.602   1.927
 1425TIP3    H149062  -3.921   1.522   1.908
 1425TIP3    H249063  -3.800   1.599   1.861
 1425TIP3   OH249064  -3.534   1.778   2.544
 1425TIP3    H149065  -3.589   1.848   2.506
 1425TIP3    H249066  -3.467   1.826   2.596
 1425TIP3   OH249067  -3.483   2.453   1.697
 1425TIP3    H149068  -3.556   2.398   1.661
 1425TIP3    H249069  -3.498   2.448   1.793
 1425TIP3   OH249070  -2.754   2.364   2.570
 1425TIP3    H149071  -2.705   2.416   2.502
 1425TIP3    H249072  -2.841   2.353   2.529
 1425TIP3   OH249073  -3.062   1.729   1.475
 1425TIP3    H149074  -3.160   1.728   1.470
 1425TIP3    H249075  -3.043   1.803   1.536
 1425TIP3   OH249076  -3.316   2.456   2.808
 1425TIP3    H149077  -3.337   2.408   2.889
 1425TIP3    H249078  -3.348   2.545   2.829
 1425TIP3   OH249079  -2.994   1.914   1.680
 1425TIP3    H149080  -2.906   1.896   1.718
 1425TIP3    H249081  -2.981   2.000   1.636
 1425TIP3   OH249082  -3.961   2.381   2.275
 1425TIP3    H149083  -3.909   2.368   2.194
 1425TIP3    H249084  -3.970   2.290   2.307
 1425TIP3   OH249085  -3.239   2.584   1.588
 1425TIP3    H149086  -3.263   2.667   1.633
 1425TIP3    H249087  -3.311   2.525   1.615
 1426TIP3   OH249088  -4.245   2.228   2.827
 1426TIP3    H149089  -4.237   2.168   2.902
 1426TIP3    H249090  -4.290   2.172   2.760
 1426TIP3   OH249091  -3.544   2.161   2.999
 1426TIP3    H149092  -3.568   2.142   2.907
 1426TIP3    H249093  -3.450   2.134   2.998
 1426TIP3   OH249094  -3.107   2.705   2.761
 1426TIP3    H149095  -3.197   2.725   2.792
 1426TIP3    H249096  -3.058   2.723   2.844
 1426TIP3   OH249097  -2.536   1.912   1.654
 1426TIP3    H149098  -2.590   1.891   1.576
 1426TIP3    H249099  -2.524   2.008   1.639
 1426TIP3   OH249100  -2.491   2.517   2.932
 1426TIP3    H149101  -2.585   2.539   2.916
 1426TIP3    H249102  -2.459   2.499   2.842
 1426TIP3   OH249103  -2.718   2.772   1.663
 1426TIP3    H149104  -2.733   2.691   1.713
 1426TIP3    H249105  -2.661   2.741   1.590
 1426TIP3   OH249106  -2.996   2.320   2.395
 1426TIP3    H149107  -3.088   2.290   2.384
 1426TIP3    H249108  -2.948   2.245   2.355
 1426TIP3   OH249109  -3.726   2.715   2.003
 1426TIP3    H149110  -3.688   2.803   1.992
 1426TIP3    H249111  -3.819   2.730   1.985
 1426TIP3   OH249112  -4.151   2.211   1.477
 1426TIP3    H149113  -4.081   2.267   1.514
 1426TIP3    H249114  -4.228   2.268   1.490
 1426TIP3   OH249115  -3.540   2.487   1.979
 1426TIP3    H149116  -3.581   2.575   1.982
 1426TIP3    H249117  -3.614   2.430   2.007
 1427TIP3   OH249118  -3.520   2.906   2.597
 1427TIP3    H149119  -3.473   2.988   2.577
 1427TIP3    H249120  -3.468   2.870   2.671
 1427TIP3   OH249121  -3.678   3.009   1.922
 1427TIP3    H149122  -3.774   3.014   1.935
 1427TIP3    H249123  -3.649   3.098   1.951
 1427TIP3   OH249124  -2.968   2.619   1.453
 1427TIP3    H149125  -2.926   2.571   1.526
 1427TIP3    H249126  -3.061   2.600   1.474
 1427TIP3   OH249127  -2.892   2.938   2.792
 1427TIP3    H149128  -2.972   2.903   2.749
 1427TIP3    H249129  -2.878   3.023   2.745
 1427TIP3   OH249130  -2.505   3.049   1.514
 1427TIP3    H149131  -2.432   3.106   1.485
 1427TIP3    H249132  -2.579   3.111   1.499
 1427TIP3   OH249133  -4.105   1.676   2.764
 1427TIP3    H149134  -4.188   1.723   2.781
 1427TIP3    H249135  -4.118   1.592   2.812
 1427TIP3   OH249136  -2.872   2.481   1.696
 1427TIP3    H149137  -2.898   2.403   1.748
 1427TIP3    H249138  -2.775   2.473   1.696
 1427TIP3   OH249139  -4.123   2.857   2.610
 1427TIP3    H149140  -4.111   2.762   2.623
 1427TIP3    H249141  -4.099   2.891   2.697
 1427TIP3   OH249142  -3.543   2.722   1.311
 1427TIP3    H149143  -3.515   2.644   1.258
 1427TIP3    H249144  -3.589   2.678   1.384
 1427TIP3   OH249145  -3.661   2.673   1.578
 1427TIP3    H149146  -3.614   2.616   1.641
 1427TIP3    H249147  -3.648   2.763   1.615
 1428TIP3   OH249148  -3.986   2.412   1.614
 1428TIP3    H149149  -4.057   2.453   1.670
 1428TIP3    H249150  -3.937   2.493   1.590
 1428TIP3   OH249151  -3.214   1.665   2.621
 1428TIP3    H149152  -3.148   1.690   2.688
 1428TIP3    H249153  -3.258   1.588   2.662
 1428TIP3   OH249154  -3.147   1.607   1.747
 1428TIP3    H149155  -3.128   1.659   1.668
 1428TIP3    H249156  -3.101   1.658   1.816
 1428TIP3   OH249157  -3.358   2.864   1.654
 1428TIP3    H149158  -3.453   2.885   1.654
 1428TIP3    H249159  -3.335   2.876   1.560
 1428TIP3   OH249160  -3.406   1.803   1.840
 1428TIP3    H149161  -3.332   1.864   1.855
 1428TIP3    H249162  -3.441   1.791   1.931
 1428TIP3   OH249163  -3.370   1.900   2.757
 1428TIP3    H149164  -3.358   1.949   2.841
 1428TIP3    H249165  -3.313   1.823   2.773
 1428TIP3   OH249166  -3.346   1.508   1.938
 1428TIP3    H149167  -3.368   1.580   2.001
 1428TIP3    H249168  -3.275   1.550   1.885
 1428TIP3   OH249169  -3.639   2.942   1.643
 1428TIP3    H149170  -3.657   3.019   1.586
 1428TIP3    H249171  -3.662   2.976   1.732
 1428TIP3   OH249172  -3.776   1.618   1.602
 1428TIP3    H149173  -3.768   1.701   1.654
 1428TIP3    H249174  -3.692   1.574   1.626
 1428TIP3   OH249175  -2.742   1.700   2.846
 1428TIP3    H149176  -2.838   1.710   2.831
 1428TIP3    H249177  -2.714   1.677   2.756
 1429TIP3   OH249178  -2.892   2.086   2.252
 1429TIP3    H149179  -2.973   2.039   2.223
 1429TIP3    H249180  -2.842   2.015   2.297
 1429TIP3   OH249181  -3.930   2.700   1.496
 1429TIP3    H149182  -3.851   2.740   1.536
 1429TIP3    H249183  -3.888   2.643   1.431
 1429TIP3   OH249184  -4.108   1.915   1.409
 1429TIP3    H149185  -4.110   2.009   1.434
 1429TIP3    H249186  -4.194   1.899   1.369
 1429TIP3   OH249187  -2.791   2.967   2.386
 1429TIP3    H149188  -2.802   3.050   2.336
 1429TIP3    H249189  -2.698   2.977   2.413
 1429TIP3   OH249190  -4.031   1.414   2.285
 1429TIP3    H149191  -4.059   1.409   2.191
 1429TIP3    H249192  -4.073   1.334   2.322
 1429TIP3   OH249193  -4.133   2.781   1.913
 1429TIP3    H149194  -4.226   2.807   1.921
 1429TIP3    H249195  -4.109   2.817   1.827
 1429TIP3   OH249196  -4.213   3.056   3.031
 1429TIP3    H149197  -4.152   3.050   3.106
 1429TIP3    H249198  -4.228   2.961   3.017
 1429TIP3   OH249199  -3.725   2.967   3.204
 1429TIP3    H149200  -3.658   2.901   3.229
 1429TIP3    H249201  -3.750   2.937   3.116
 1429TIP3   OH249202  -3.323   2.887   1.372
 1429TIP3    H149203  -3.398   2.828   1.348
 1429TIP3    H249204  -3.251   2.841   1.325
 1429TIP3   OH249205  -3.075   2.787   3.060
 1429TIP3    H149206  -3.117   2.711   3.104
 1429TIP3    H249207  -3.010   2.815   3.127
 1430TIP3   OH249208  -2.860   2.886   1.373
 1430TIP3    H149209  -2.847   2.802   1.420
 1430TIP3    H249210  -2.783   2.889   1.314
 1430TIP3   OH249211  -4.204   2.452   3.095
 1430TIP3    H149212  -4.194   2.368   3.049
 1430TIP3    H249213  -4.288   2.486   3.059
 1430TIP3   OH249214  -3.780   2.465   1.344
 1430TIP3    H149215  -3.763   2.404   1.417
 1430TIP3    H249216  -3.696   2.459   1.295
 1430TIP3   OH249217  -3.534   2.442   3.070
 1430TIP3    H149218  -3.569   2.474   2.985
 1430TIP3    H249219  -3.529   2.346   3.057
 1430TIP3   OH249220  -3.256   2.596   1.303
 1430TIP3    H149221  -3.260   2.591   1.400
 1430TIP3    H249222  -3.260   2.501   1.281
 1430TIP3   OH249223  -3.007   2.401   2.790
 1430TIP3    H149224  -2.928   2.457   2.787
 1430TIP3    H249225  -3.079   2.463   2.807
 1430TIP3   OH249226  -4.135   2.126   3.067
 1430TIP3    H149227  -4.058   2.066   3.062
 1430TIP3    H249228  -4.126   2.160   3.158
 1430TIP3   OH249229  -3.672   2.272   1.577
 1430TIP3    H149230  -3.732   2.222   1.635
 1430TIP3    H249231  -3.644   2.203   1.514
 1430TIP3   OH249232  -3.734   2.021   2.786
 1430TIP3    H149233  -3.792   2.090   2.825
 1430TIP3    H249234  -3.676   2.075   2.729
 1430TIP3   OH249235  -3.576   2.076   1.401
 1430TIP3    H149236  -3.579   2.082   1.304
 1430TIP3    H249237  -3.480   2.069   1.416
 1431TIP3   OH249238  -3.220   2.317   3.151
 1431TIP3    H149239  -3.127   2.300   3.130
 1431TIP3    H249240  -3.242   2.237   3.201
 1431TIP3   OH249241  -2.628   2.324   1.334
 1431TIP3    H149242  -2.633   2.281   1.248
 1431TIP3    H249243  -2.631   2.418   1.308
 1431TIP3   OH249244  -3.506   2.172   2.704
 1431TIP3    H149245  -3.423   2.156   2.656
 1431TIP3    H249246  -3.535   2.257   2.667
 1431TIP3   OH249247  -3.043   1.962   3.176
 1431TIP3    H149248  -3.022   1.869   3.195
 1431TIP3    H249249  -2.954   2.000   3.178
 1431TIP3   OH249250  -2.950   2.245   3.019
 1431TIP3    H149251  -2.980   2.306   2.949
 1431TIP3    H249252  -2.858   2.228   2.989
 1431TIP3   OH249253  -3.863   1.951   3.058
 1431TIP3    H149254  -3.916   1.873   3.081
 1431TIP3    H249255  -3.772   1.919   3.059
 1431TIP3   OH249256  -3.604   1.403   2.697
 1431TIP3    H149257  -3.609   1.489   2.653
 1431TIP3    H249258  -3.663   1.349   2.641
 1431TIP3   OH249259  -3.474   1.815   3.064
 1431TIP3    H149260  -3.489   1.789   3.157
 1431TIP3    H249261  -3.555   1.783   3.024
 1431TIP3   OH249262  -3.209   1.720   2.964
 1431TIP3    H149263  -3.297   1.718   3.005
 1431TIP3    H249264  -3.158   1.658   3.021
 1431TIP3   OH249265  -3.031   1.568   3.128
 1431TIP3    H149266  -3.035   1.472   3.147
 1431TIP3    H249267  -3.037   1.609   3.216
 1432TIP3   OH249268  -4.008   1.703   3.072
 1432TIP3    H149269  -4.025   1.625   3.016
 1432TIP3    H249270  -4.027   1.666   3.160
 1432TIP3   OH249271  -3.600   1.309   2.974
 1432TIP3    H149272  -3.543   1.230   2.978
 1432TIP3    H249273  -3.603   1.326   2.878
 1432TIP3   OH249274  -3.503   1.497   3.154
 1432TIP3    H149275  -3.535   1.432   3.088
 1432TIP3    H249276  -3.580   1.551   3.171
 1432TIP3   OH249277  -3.601   3.211   1.516
 1432TIP3    H149278  -3.505   3.208   1.517
 1432TIP3    H249279  -3.618   3.241   1.426
 1432TIP3   OH249280  -4.198   2.688   1.418
 1432TIP3    H149281  -4.123   2.680   1.480
 1432TIP3    H249282  -4.220   2.595   1.399
 1432TIP3   OH249283  -4.273   2.966   2.133
 1432TIP3    H149284  -4.277   2.877   2.173
 1432TIP3    H249285  -4.244   3.016   2.211
 1432TIP3   OH249286  -2.517   3.085   2.438
 1432TIP3    H149287  -2.499   3.083   2.533
 1432TIP3    H249288  -2.431   3.113   2.403
 1432TIP3   OH249289  -2.528   3.029   2.724
 1432TIP3    H149290  -2.574   2.952   2.688
 1432TIP3    H249291  -2.470   2.986   2.789
 1432TIP3   OH249292  -2.727   2.573   3.149
 1432TIP3    H149293  -2.813   2.575   3.195
 1432TIP3    H249294  -2.681   2.650   3.186
 1432TIP3   OH249295  -2.589   2.465   1.730
 1432TIP3    H149296  -2.497   2.497   1.742
 1432TIP3    H249297  -2.593   2.398   1.801
 1433TIP3   OH249298  -2.543   2.263   1.927
 1433TIP3    H149299  -2.606   2.201   1.969
 1433TIP3    H249300  -2.471   2.269   1.992
 1433TIP3   OH249301  -2.578   2.517   2.414
 1433TIP3    H149302  -2.514   2.460   2.368
 1433TIP3    H249303  -2.542   2.605   2.393
 1433TIP3   OH249304  -2.693   2.801   2.645
 1433TIP3    H149305  -2.763   2.841   2.700
 1433TIP3    H249306  -2.744   2.760   2.573
 1433TIP3   OH249307  -2.519   2.200   1.585
 1433TIP3    H149308  -2.566   2.230   1.505
 1433TIP3    H249309  -2.525   2.279   1.641
 1433TIP3   OH249310  -2.691   1.961   1.409
 1433TIP3    H149311  -2.659   2.017   1.337
 1433TIP3    H249312  -2.712   1.877   1.363
 1433TIP3   OH249313  -2.750   2.072   2.007
 1433TIP3    H149314  -2.753   1.976   1.991
 1433TIP3    H249315  -2.786   2.079   2.097
 1433TIP3   OH249316  -4.259   2.322   2.402
 1433TIP3    H149317  -4.228   2.336   2.311
 1433TIP3    H249318  -4.177   2.287   2.444
 1433TIP3   OH249319  -2.687   2.267   2.917
 1433TIP3    H149320  -2.619   2.199   2.938
 1433TIP3    H249321  -2.633   2.347   2.910
 1433TIP3   OH249322  -2.529   2.078   3.036
 1433TIP3    H149323  -2.610   2.023   3.027
 1433TIP3    H249324  -2.460   2.009   3.039
 1433TIP3   OH249325  -2.742   1.695   1.333
 1433TIP3    H149326  -2.681   1.643   1.388
 1433TIP3    H249327  -2.820   1.638   1.325
 1434TIP3   OH249328  -2.760   1.821   1.826
 1434TIP3    H149329  -2.735   1.726   1.830
 1434TIP3    H249330  -2.680   1.857   1.784
 1434TIP3   OH249331  -2.737   1.886   2.367
 1434TIP3    H149332  -2.639   1.893   2.364
 1434TIP3    H249333  -2.750   1.885   2.464
 1434TIP3   OH249334  -2.721   1.951   2.648
 1434TIP3    H149335  -2.806   1.991   2.677
 1434TIP3    H249336  -2.667   2.030   2.629
 1434TIP3   OH249337  -4.284   1.804   2.986
 1434TIP3    H149338  -4.199   1.777   3.024
 1434TIP3    H249339  -4.348   1.745   3.028
 1434TIP3   OH249340  -2.460   1.364   3.178
 1434TIP3    H149341  -2.424   1.297   3.117
 1434TIP3    H249342  -2.462   1.444   3.122
 1434TIP3   OH249343  -2.713   1.543   1.822
 1434TIP3    H149344  -2.699   1.508   1.912
 1434TIP3    H249345  -2.792   1.492   1.794
 1434TIP3   OH249346  -4.164   1.679   2.333
 1434TIP3    H149347  -4.120   1.594   2.318
 1434TIP3    H249348  -4.095   1.745   2.314
 1434TIP3   OH249349  -4.308   1.951   2.384
 1434TIP3    H149350  -4.253   1.904   2.320
 1434TIP3    H249351  -4.270   2.039   2.379
 1434TIP3   OH249352  -2.526   1.570   3.004
 1434TIP3    H149353  -2.613   1.613   3.016
 1434TIP3    H249354  -2.543   1.518   2.924
 1434TIP3   OH249355  -2.516   1.589   1.488
 1434TIP3    H149356  -2.485   1.509   1.443
 1434TIP3    H249357  -2.434   1.641   1.497
 1435TIP3   OH249358  -4.318   1.544   1.769
 1435TIP3    H149359  -4.400   1.580   1.731
 1435TIP3    H249360  -4.255   1.609   1.729
 1435TIP3   OH249361  -2.825   3.097   2.013
 1435TIP3    H149362  -2.771   3.066   1.938
 1435TIP3    H249363  -2.757   3.132   2.072
 1435TIP3   OH249364  -4.290   1.439   2.597
 1435TIP3    H149365  -4.358   1.430   2.668
 1435TIP3    H249366  -4.334   1.487   2.526
 1435TIP3   OH249367  -4.115   2.791   3.067
 1435TIP3    H149368  -4.176   2.735   3.018
 1435TIP3    H249369  -4.132   2.760   3.159
 1435TIP3   OH249370  -3.800   2.859   2.658
 1435TIP3    H149371  -3.837   2.941   2.622
 1435TIP3    H249372  -3.706   2.871   2.638
 1435TIP3   OH249373  -3.348   2.984   2.957
 1435TIP3    H149374  -3.340   2.973   3.053
 1435TIP3    H249375  -3.266   3.033   2.936
 1435TIP3   OH249376  -3.120   3.126   2.876
 1435TIP3    H149377  -3.047   3.063   2.867
 1435TIP3    H249378  -3.095   3.171   2.959
 1435TIP3   OH249379  -2.639   1.396   2.800
 1435TIP3    H149380  -2.720   1.415   2.751
 1435TIP3    H249381  -2.618   1.305   2.768
 1435TIP3   OH249382  -4.069   3.164   2.683
 1435TIP3    H149383  -4.137   3.215   2.635
 1435TIP3    H249384  -4.099   3.174   2.774
 1435TIP3   OH249385  -3.817   3.132   2.546
 1435TIP3    H149386  -3.904   3.148   2.588
 1435TIP3    H249387  -3.816   3.200   2.477
 1436TIP3   OH249388  -3.335   3.131   2.501
 1436TIP3    H149389  -3.380   3.177   2.428
 1436TIP3    H249390  -3.328   3.203   2.567
 1436TIP3   OH249391  -3.107   2.972   2.568
 1436TIP3    H149392  -3.191   3.021   2.557
 1436TIP3    H249393  -3.045   3.046   2.578
 1436TIP3   OH249394  -2.864   3.169   2.609
 1436TIP3    H149395  -2.868   3.266   2.596
 1436TIP3    H249396  -2.825   3.142   2.525
 1436TIP3   OH249397  -4.124   3.043   2.382
 1436TIP3    H149398  -4.135   2.995   2.467
 1436TIP3    H249399  -4.052   2.992   2.342
 1436TIP3   OH249400  -3.909   2.912   2.228
 1436TIP3    H149401  -3.929   2.821   2.258
 1436TIP3    H249402  -3.822   2.928   2.268
 1436TIP3   OH249403  -3.625   2.956   2.315
 1436TIP3    H149404  -3.615   2.862   2.295
 1436TIP3    H249405  -3.625   2.954   2.412
 1436TIP3   OH249406  -3.298   1.546   2.249
 1436TIP3    H149407  -3.367   1.477   2.262
 1436TIP3    H249408  -3.239   1.502   2.187
 1436TIP3   OH249409  -2.802   1.348   2.296
 1436TIP3    H149410  -2.725   1.390   2.253
 1436TIP3    H249411  -2.876   1.375   2.238
 1436TIP3   OH249412  -2.595   1.457   2.080
 1436TIP3    H149413  -2.523   1.413   2.031
 1436TIP3    H249414  -2.560   1.548   2.089
 1436TIP3   OH249415  -4.111   1.399   2.007
 1436TIP3    H149416  -4.176   1.376   1.939
 1436TIP3    H249417  -4.043   1.331   1.991
 1437TIP3   OH249418  -4.180   1.363   1.584
 1437TIP3    H149419  -4.130   1.430   1.533
 1437TIP3    H249420  -4.235   1.421   1.641
 1437TIP3   OH249421  -3.612   1.390   1.992
 1437TIP3    H149422  -3.524   1.429   1.977
 1437TIP3    H249423  -3.616   1.390   2.088
 1437TIP3   OH249424  -3.055   1.403   2.133
 1437TIP3    H149425  -3.029   1.387   2.041
 1437TIP3    H249426  -3.093   1.317   2.158
 1437TIP3   OH249427  -2.945   1.403   1.733
 1437TIP3    H149428  -3.027   1.452   1.717
 1437TIP3    H249429  -2.979   1.312   1.745
 1437TIP3   OH249430  -4.185   2.966   1.685
 1437TIP3    H149431  -4.251   2.945   1.618
 1437TIP3    H249432  -4.185   3.062   1.684
 1437TIP3   OH249433  -4.003   1.549   1.439
 1437TIP3    H149434  -3.943   1.495   1.386
 1437TIP3    H249435  -3.943   1.582   1.508
 1437TIP3   OH249436  -3.499   1.567   1.696
 1437TIP3    H149437  -3.467   1.507   1.765
 1437TIP3    H249438  -3.475   1.653   1.736
 1437TIP3   OH249439  -3.273   3.170   1.540
 1437TIP3    H149440  -3.183   3.134   1.523
 1437TIP3    H249441  -3.324   3.101   1.496
 1437TIP3   OH249442  -2.655   3.044   1.781
 1437TIP3    H149443  -2.668   2.958   1.737
 1437TIP3    H249444  -2.628   3.099   1.705
 1437TIP3   OH249445  -4.077   1.446   2.960
 1437TIP3    H149446  -4.127   1.369   2.992
 1437TIP3    H249447  -3.987   1.421   2.989
 1438TIP3   OH249448  -3.843   1.378   3.127
 1438TIP3    H149449  -3.762   1.339   3.088
 1438TIP3    H249450  -3.877   1.301   3.176
 1438TIP3   OH249451  -4.010   3.067   1.385
 1438TIP3    H149452  -4.043   3.082   1.475
 1438TIP3    H249453  -3.944   2.996   1.400
 1438TIP3   OH249454  -3.030   1.288   3.147
 1438TIP3    H149455  -3.027   1.246   3.235
 1438TIP3    H249456  -2.936   1.284   3.121
 1438TIP3   OH249457  -2.692   2.924   3.013
 1438TIP3    H149458  -2.770   2.904   2.958
 1438TIP3    H249459  -2.711   3.017   3.037
 1438TIP3   OH249460  -1.378   2.230   2.328
 1438TIP3    H149461  -1.389   2.180   2.410
 1438TIP3    H249462  -1.420   2.170   2.264
 1438TIP3   OH249463  -2.145   2.194   2.505
 1438TIP3    H149464  -2.144   2.118   2.567
 1438TIP3    H249465  -2.071   2.246   2.539
 1438TIP3   OH249466  -1.005   2.510   2.171
 1438TIP3    H149467  -1.058   2.442   2.214
 1438TIP3    H249468  -0.995   2.575   2.242
 1438TIP3   OH249469  -2.078   2.656   2.355
 1438TIP3    H149470  -2.099   2.564   2.328
 1438TIP3    H249471  -1.984   2.646   2.374
 1438TIP3   OH249472  -2.378   1.996   1.893
 1438TIP3    H149473  -2.417   2.084   1.899
 1438TIP3    H249474  -2.448   1.946   1.849
 1438TIP3   OH249475  -2.298   2.242   2.077
 1438TIP3    H149476  -2.281   2.159   2.126
 1438TIP3    H249477  -2.213   2.255   2.033
 1439TIP3   OH249478  -1.308   3.048   2.230
 1439TIP3    H149479  -1.259   2.974   2.190
 1439TIP3    H249480  -1.344   3.006   2.309
 1439TIP3   OH249481  -1.542   2.483   2.398
 1439TIP3    H149482  -1.510   2.422   2.329
 1439TIP3    H249483  -1.459   2.499   2.445
 1439TIP3   OH249484  -0.665   1.648   2.477
 1439TIP3    H149485  -0.663   1.736   2.517
 1439TIP3    H249486  -0.609   1.665   2.399
 1439TIP3   OH249487  -1.212   1.918   2.443
 1439TIP3    H149488  -1.199   1.821   2.443
 1439TIP3    H249489  -1.217   1.936   2.348
 1439TIP3   OH249490  -1.914   1.719   2.152
 1439TIP3    H149491  -1.899   1.804   2.107
 1439TIP3    H249492  -1.949   1.666   2.078
 1439TIP3   OH249493  -1.130   1.737   1.985
 1439TIP3    H149494  -1.068   1.695   2.048
 1439TIP3    H249495  -1.068   1.780   1.924
 1439TIP3   OH249496  -2.246   1.992   2.203
 1439TIP3    H149497  -2.181   1.946   2.259
 1439TIP3    H249498  -2.236   1.944   2.119
 1439TIP3   OH249499  -1.710   2.131   2.153
 1439TIP3    H149500  -1.637   2.076   2.188
 1439TIP3    H249501  -1.758   2.066   2.098
 1439TIP3   OH249502  -2.033   1.599   2.569
 1439TIP3    H149503  -2.074   1.648   2.496
 1439TIP3    H249504  -2.100   1.613   2.639
 1439TIP3   OH249505  -1.739   2.387   2.583
 1439TIP3    H149506  -1.813   2.448   2.605
 1439TIP3    H249507  -1.677   2.446   2.535
 1440TIP3   OH249508  -0.946   1.660   2.190
 1440TIP3    H149509  -0.986   1.602   2.256
 1440TIP3    H249510  -0.895   1.722   2.244
 1440TIP3   OH249511  -2.074   1.804   2.362
 1440TIP3    H149512  -2.009   1.861   2.408
 1440TIP3    H249513  -2.017   1.767   2.290
 1440TIP3   OH249514  -1.942   2.574   2.653
 1440TIP3    H149515  -1.945   2.666   2.621
 1440TIP3    H249516  -2.028   2.569   2.698
 1440TIP3   OH249517  -2.314   2.545   1.742
 1440TIP3    H149518  -2.326   2.595   1.658
 1440TIP3    H249519  -2.293   2.615   1.807
 1440TIP3   OH249520  -0.965   2.692   2.426
 1440TIP3    H149521  -1.062   2.701   2.422
 1440TIP3    H249522  -0.937   2.774   2.382
 1440TIP3   OH249523  -0.932   1.568   2.578
 1440TIP3    H149524  -1.008   1.612   2.535
 1440TIP3    H249525  -0.859   1.595   2.519
 1440TIP3   OH249526  -1.616   1.347   2.282
 1440TIP3    H149527  -1.644   1.254   2.273
 1440TIP3    H249528  -1.700   1.389   2.311
 1440TIP3   OH249529  -1.131   2.876   2.084
 1440TIP3    H149530  -1.089   2.798   2.044
 1440TIP3    H249531  -1.072   2.948   2.054
 1440TIP3   OH249532  -0.991   2.659   1.922
 1440TIP3    H149533  -1.054   2.609   1.865
 1440TIP3    H249534  -0.988   2.599   1.998
 1440TIP3   OH249535  -0.835   2.550   2.786
 1440TIP3    H149536  -0.847   2.487   2.712
 1440TIP3    H249537  -0.824   2.634   2.738
 1441TIP3   OH249538  -1.399   2.022   1.487
 1441TIP3    H149539  -1.333   2.083   1.523
 1441TIP3    H249540  -1.369   2.006   1.398
 1441TIP3   OH249541  -0.659   2.169   2.580
 1441TIP3    H149542  -0.733   2.231   2.586
 1441TIP3    H249543  -0.611   2.205   2.503
 1441TIP3   OH249544  -1.065   2.083   2.745
 1441TIP3    H149545  -1.066   2.162   2.801
 1441TIP3    H249546  -1.127   2.112   2.676
 1441TIP3   OH249547  -1.907   2.315   2.043
 1441TIP3    H149548  -1.929   2.274   1.957
 1441TIP3    H249549  -1.834   2.260   2.074
 1441TIP3   OH249550  -1.766   2.657   2.316
 1441TIP3    H149551  -1.772   2.625   2.225
 1441TIP3    H249552  -1.684   2.613   2.347
 1441TIP3   OH249553  -1.842   2.200   2.393
 1441TIP3    H149554  -1.787   2.201   2.312
 1441TIP3    H249555  -1.799   2.268   2.448
 1441TIP3   OH249556  -1.249   2.754   2.450
 1441TIP3    H149557  -1.243   2.818   2.523
 1441TIP3    H249558  -1.269   2.670   2.494
 1441TIP3   OH249559  -1.756   2.632   2.874
 1441TIP3    H149560  -1.808   2.699   2.922
 1441TIP3    H249561  -1.819   2.605   2.804
 1441TIP3   OH249562  -1.154   2.163   1.622
 1441TIP3    H149563  -1.144   2.226   1.696
 1441TIP3    H249564  -1.122   2.223   1.550
 1441TIP3   OH249565  -2.063   2.274   2.785
 1441TIP3    H149566  -2.058   2.329   2.865
 1441TIP3    H249567  -2.159   2.257   2.779
 1442TIP3   OH249568  -1.443   2.846   1.986
 1442TIP3    H149569  -1.359   2.861   2.031
 1442TIP3    H249570  -1.460   2.926   1.935
 1442TIP3   OH249571  -1.946   2.852   2.956
 1442TIP3    H149572  -1.957   2.854   2.860
 1442TIP3    H249573  -2.034   2.824   2.988
 1442TIP3   OH249574  -0.789   1.346   1.585
 1442TIP3    H149575  -0.885   1.354   1.598
 1442TIP3    H249576  -0.761   1.437   1.567
 1442TIP3   OH249577  -2.001   2.193   1.791
 1442TIP3    H149578  -2.019   2.269   1.733
 1442TIP3    H249579  -2.070   2.131   1.765
 1442TIP3   OH249580  -0.683   2.776   1.407
 1442TIP3    H149581  -0.668   2.868   1.437
 1442TIP3    H249582  -0.599   2.734   1.431
 1442TIP3   OH249583  -2.407   2.459   2.668
 1442TIP3    H149584  -2.439   2.453   2.576
 1442TIP3    H249585  -2.385   2.366   2.687
 1442TIP3   OH249586  -2.398   2.751   2.364
 1442TIP3    H149587  -2.305   2.723   2.362
 1442TIP3    H249588  -2.395   2.815   2.437
 1442TIP3   OH249589  -0.557   2.815   2.938
 1442TIP3    H149590  -0.567   2.720   2.918
 1442TIP3    H249591  -0.648   2.837   2.966
 1442TIP3   OH249592  -1.492   2.737   2.818
 1442TIP3    H149593  -1.486   2.820   2.869
 1442TIP3    H249594  -1.582   2.707   2.839
 1442TIP3   OH249595  -1.466   3.117   1.814
 1442TIP3    H149596  -1.463   3.123   1.717
 1442TIP3    H249597  -1.457   3.209   1.842
 1443TIP3   OH249598  -2.086   3.035   1.978
 1443TIP3    H149599  -2.066   2.989   2.062
 1443TIP3    H249600  -2.166   2.989   1.949
 1443TIP3   OH249601  -1.130   3.060   1.532
 1443TIP3    H149602  -1.080   2.991   1.486
 1443TIP3    H249603  -1.137   3.023   1.621
 1443TIP3   OH249604  -1.194   3.006   1.819
 1443TIP3    H149605  -1.291   3.014   1.825
 1443TIP3    H249606  -1.181   2.919   1.859
 1443TIP3   OH249607  -0.869   1.935   2.964
 1443TIP3    H149608  -0.923   2.004   2.921
 1443TIP3    H249609  -0.924   1.858   2.942
 1443TIP3   OH249610  -2.183   2.617   2.793
 1443TIP3    H149611  -2.153   2.569   2.874
 1443TIP3    H249612  -2.254   2.560   2.759
 1443TIP3   OH249613  -1.863   1.458   2.371
 1443TIP3    H149614  -1.943   1.456   2.316
 1443TIP3    H249615  -1.884   1.535   2.427
 1443TIP3   OH249616  -1.423   1.422   2.728
 1443TIP3    H149617  -1.372   1.372   2.795
 1443TIP3    H249618  -1.515   1.392   2.743
 1443TIP3   OH249619  -1.060   1.788   2.820
 1443TIP3    H149620  -1.140   1.760   2.868
 1443TIP3    H249621  -1.093   1.864   2.768
 1443TIP3   OH249622  -1.021   2.293   1.406
 1443TIP3    H149623  -1.029   2.254   1.318
 1443TIP3    H249624  -0.927   2.312   1.413
 1443TIP3   OH249625  -1.442   1.669   1.441
 1443TIP3    H149626  -1.491   1.669   1.524
 1443TIP3    H249627  -1.484   1.594   1.395
 1444TIP3   OH249628  -1.876   1.941   2.507
 1444TIP3    H149629  -1.932   1.954   2.586
 1444TIP3    H249630  -1.867   2.032   2.473
 1444TIP3   OH249631  -1.882   1.949   1.997
 1444TIP3    H149632  -1.977   1.938   1.979
 1444TIP3    H249633  -1.845   1.931   1.908
 1444TIP3   OH249634  -1.331   2.032   1.862
 1444TIP3    H149635  -1.362   2.119   1.832
 1444TIP3    H249636  -1.264   2.012   1.795
 1444TIP3   OH249637  -1.402   2.026   3.011
 1444TIP3    H149638  -1.453   1.951   3.046
 1444TIP3    H249639  -1.314   2.012   3.050
 1444TIP3   OH249640  -1.239   1.949   2.140
 1444TIP3    H149641  -1.266   2.006   2.065
 1444TIP3    H249642  -1.215   1.867   2.091
 1444TIP3   OH249643  -2.145   1.959   2.694
 1444TIP3    H149644  -2.112   1.988   2.780
 1444TIP3    H249645  -2.176   1.869   2.714
 1444TIP3   OH249646  -1.787   1.724   1.342
 1444TIP3    H149647  -1.819   1.684   1.426
 1444TIP3    H249648  -1.869   1.738   1.294
 1444TIP3   OH249649  -2.458   1.705   2.058
 1444TIP3    H149650  -2.396   1.702   2.132
 1444TIP3    H249651  -2.408   1.666   1.984
 1444TIP3   OH249652  -2.298   1.749   1.627
 1444TIP3    H149653  -2.242   1.796   1.561
 1444TIP3    H249654  -2.367   1.814   1.644
 1444TIP3   OH249655  -1.325   2.114   2.600
 1444TIP3    H149656  -1.282   2.043   2.547
 1444TIP3    H249657  -1.357   2.064   2.676
 1445TIP3   OH249658  -1.605   1.706   2.097
 1445TIP3    H149659  -1.699   1.701   2.118
 1445TIP3    H249660  -1.564   1.689   2.183
 1445TIP3   OH249661  -2.149   1.830   1.968
 1445TIP3    H149662  -2.230   1.856   1.920
 1445TIP3    H249663  -2.119   1.751   1.919
 1445TIP3   OH249664  -1.785   1.871   1.738
 1445TIP3    H149665  -1.687   1.873   1.739
 1445TIP3    H249666  -1.808   1.926   1.662
 1445TIP3   OH249667  -1.163   1.619   2.404
 1445TIP3    H149668  -1.227   1.623   2.478
 1445TIP3    H249669  -1.221   1.587   2.332
 1445TIP3   OH249670  -1.911   1.991   1.493
 1445TIP3    H149671  -1.982   1.962   1.433
 1445TIP3    H249672  -1.836   1.984   1.433
 1445TIP3   OH249673  -0.868   3.205   3.067
 1445TIP3    H149674  -0.838   3.243   2.982
 1445TIP3    H249675  -0.795   3.231   3.127
 1445TIP3   OH249676  -2.074   2.464   3.010
 1445TIP3    H149677  -2.007   2.472   3.081
 1445TIP3    H249678  -2.155   2.458   3.065
 1445TIP3   OH249679  -1.504   1.961   2.282
 1445TIP3    H149680  -1.429   1.923   2.233
 1445TIP3    H249681  -1.514   1.898   2.356
 1445TIP3   OH249682  -1.975   1.602   1.895
 1445TIP3    H149683  -2.026   1.521   1.912
 1445TIP3    H249684  -1.892   1.566   1.861
 1445TIP3   OH249685  -1.604   1.804   2.511
 1445TIP3    H149686  -1.680   1.865   2.504
 1445TIP3    H249687  -1.558   1.836   2.591
 1446TIP3   OH249688  -1.587   2.454   1.670
 1446TIP3    H149689  -1.648   2.380   1.659
 1446TIP3    H249690  -1.554   2.445   1.760
 1446TIP3   OH249691  -0.870   2.364   2.572
 1446TIP3    H149692  -0.820   2.418   2.507
 1446TIP3    H249693  -0.955   2.351   2.525
 1446TIP3   OH249694  -1.162   1.718   1.437
 1446TIP3    H149695  -1.259   1.710   1.429
 1446TIP3    H249696  -1.151   1.788   1.503
 1446TIP3   OH249697  -1.427   2.448   2.829
 1446TIP3    H149698  -1.459   2.417   2.915
 1446TIP3    H249699  -1.459   2.540   2.828
 1446TIP3   OH249700  -1.115   1.889   1.676
 1446TIP3    H149701  -1.027   1.888   1.718
 1446TIP3    H249702  -1.120   1.982   1.643
 1446TIP3   OH249703  -2.079   2.386   2.277
 1446TIP3    H149704  -2.023   2.376   2.198
 1446TIP3    H249705  -2.066   2.300   2.321
 1446TIP3   OH249706  -2.353   2.215   2.805
 1446TIP3    H149707  -2.336   2.173   2.891
 1446TIP3    H249708  -2.413   2.152   2.762
 1446TIP3   OH249709  -1.654   2.165   3.003
 1446TIP3    H149710  -1.690   2.140   2.916
 1446TIP3    H249711  -1.562   2.137   2.994
 1446TIP3   OH249712  -1.201   2.709   2.775
 1446TIP3    H149713  -1.297   2.715   2.768
 1446TIP3    H249714  -1.186   2.732   2.868
 1446TIP3   OH249715  -0.649   1.913   1.653
 1446TIP3    H149716  -0.702   1.893   1.574
 1446TIP3    H249717  -0.639   2.009   1.641
 1447TIP3   OH249718  -0.604   2.514   2.933
 1447TIP3    H149719  -0.697   2.535   2.912
 1447TIP3    H249720  -0.569   2.497   2.843
 1447TIP3   OH249721  -0.824   2.775   1.665
 1447TIP3    H149722  -0.858   2.703   1.719
 1447TIP3    H249723  -0.776   2.728   1.595
 1447TIP3   OH249724  -1.104   2.303   2.406
 1447TIP3    H149725  -1.196   2.290   2.376
 1447TIP3    H249726  -1.058   2.235   2.353
 1447TIP3   OH249727  -1.847   2.715   2.012
 1447TIP3    H149728  -1.793   2.794   1.992
 1447TIP3    H249729  -1.932   2.739   1.975
 1447TIP3   OH249730  -2.239   2.193   1.469
 1447TIP3    H149731  -2.181   2.262   1.505
 1447TIP3    H249732  -2.327   2.226   1.494
 1447TIP3   OH249733  -1.659   2.477   1.973
 1447TIP3    H149734  -1.676   2.572   1.973
 1447TIP3    H249735  -1.743   2.441   2.002
 1447TIP3   OH249736  -1.641   2.911   2.603
 1447TIP3    H149737  -1.585   2.984   2.572
 1447TIP3    H249738  -1.579   2.859   2.656
 1447TIP3   OH249739  -1.798   3.005   1.926
 1447TIP3    H149740  -1.893   3.023   1.932
 1447TIP3    H249741  -1.760   3.092   1.949
 1447TIP3   OH249742  -1.298   2.485   2.559
 1447TIP3    H149743  -1.327   2.455   2.647
 1447TIP3    H249744  -1.226   2.422   2.539
 1447TIP3   OH249745  -1.069   2.600   1.490
 1447TIP3    H149746  -1.039   2.561   1.574
 1447TIP3    H249747  -1.164   2.589   1.509
 1448TIP3   OH249748  -1.007   2.943   2.800
 1448TIP3    H149749  -1.082   2.896   2.758
 1448TIP3    H249750  -0.997   3.021   2.742
 1448TIP3   OH249751  -0.609   3.042   1.503
 1448TIP3    H149752  -0.539   3.106   1.482
 1448TIP3    H249753  -0.686   3.102   1.505
 1448TIP3   OH249754  -2.220   1.678   2.765
 1448TIP3    H149755  -2.312   1.704   2.742
 1448TIP3    H249756  -2.235   1.592   2.808
 1448TIP3   OH249757  -2.247   2.854   2.607
 1448TIP3    H149758  -2.214   2.764   2.621
 1448TIP3    H249759  -2.222   2.895   2.690
 1448TIP3   OH249760  -1.650   2.710   1.302
 1448TIP3    H149761  -1.612   2.636   1.253
 1448TIP3    H249762  -1.694   2.666   1.377
 1448TIP3   OH249763  -1.773   2.658   1.593
 1448TIP3    H149764  -1.708   2.605   1.645
 1448TIP3    H249765  -1.750   2.749   1.619
 1448TIP3   OH249766  -2.091   2.415   1.615
 1448TIP3    H149767  -2.161   2.455   1.670
 1448TIP3    H249768  -2.039   2.494   1.590
 1448TIP3   OH249769  -1.308   1.669   2.633
 1448TIP3    H149770  -1.256   1.678   2.714
 1448TIP3    H249771  -1.372   1.600   2.659
 1448TIP3   OH249772  -1.259   1.609   1.732
 1448TIP3    H149773  -1.245   1.669   1.657
 1448TIP3    H249774  -1.218   1.660   1.804
 1448TIP3   OH249775  -1.471   2.844   1.648
 1448TIP3    H149776  -1.561   2.879   1.651
 1448TIP3    H249777  -1.438   2.870   1.561
 1449TIP3   OH249778  -1.511   1.807   1.842
 1449TIP3    H149779  -1.442   1.876   1.852
 1449TIP3    H249780  -1.539   1.793   1.934
 1449TIP3   OH249781  -1.484   1.895   2.757
 1449TIP3    H149782  -1.480   1.950   2.837
 1449TIP3    H249783  -1.426   1.822   2.779
 1449TIP3   OH249784  -1.456   1.494   1.935
 1449TIP3    H149785  -1.479   1.569   1.992
 1449TIP3    H249786  -1.386   1.532   1.879
 1449TIP3   OH249787  -1.762   2.937   1.637
 1449TIP3    H149788  -1.764   3.020   1.587
 1449TIP3    H249789  -1.768   2.968   1.729
 1449TIP3   OH249790  -1.881   1.614   1.581
 1449TIP3    H149791  -1.887   1.687   1.644
 1449TIP3    H249792  -1.801   1.568   1.614
 1449TIP3   OH249793  -1.004   2.082   2.253
 1449TIP3    H149794  -1.081   2.039   2.213
 1449TIP3    H249795  -0.956   2.007   2.292
 1449TIP3   OH249796  -2.042   2.695   1.492
 1449TIP3    H149797  -1.970   2.744   1.535
 1449TIP3    H249798  -1.989   2.642   1.430
 1449TIP3   OH249799  -2.226   1.916   1.408
 1449TIP3    H149800  -2.217   2.011   1.430
 1449TIP3    H249801  -2.312   1.913   1.364
 1449TIP3   OH249802  -0.902   2.972   2.393
 1449TIP3    H149803  -0.920   3.050   2.337
 1449TIP3    H249804  -0.808   2.985   2.411
 1449TIP3   OH249805  -2.142   1.419   2.285
 1449TIP3    H149806  -2.155   1.415   2.188
 1449TIP3    H249807  -2.176   1.334   2.314
 1450TIP3   OH249808  -2.253   2.767   1.915
 1450TIP3    H149809  -2.331   2.822   1.933
 1450TIP3    H249810  -2.210   2.817   1.844
 1450TIP3   OH249811  -2.312   3.059   3.028
 1450TIP3    H149812  -2.253   3.031   3.101
 1450TIP3    H249813  -2.350   2.973   3.000
 1450TIP3   OH249814  -1.839   2.966   3.208
 1450TIP3    H149815  -1.772   2.898   3.227
 1450TIP3    H249816  -1.865   2.941   3.118
 1450TIP3   OH249817  -1.433   2.883   1.355
 1450TIP3    H149818  -1.508   2.822   1.343
 1450TIP3    H249819  -1.361   2.837   1.308
 1450TIP3   OH249820  -1.196   2.796   3.068
 1450TIP3    H149821  -1.234   2.712   3.102
 1450TIP3    H249822  -1.124   2.813   3.132
 1450TIP3   OH249823  -0.984   2.867   1.363
 1450TIP3    H149824  -0.965   2.795   1.424
 1450TIP3    H249825  -0.899   2.877   1.316
 1450TIP3   OH249826  -2.314   2.425   3.139
 1450TIP3    H149827  -2.306   2.332   3.111
 1450TIP3    H249828  -2.393   2.452   3.087
 1450TIP3   OH249829  -1.886   2.464   1.337
 1450TIP3    H149830  -1.864   2.404   1.412
 1450TIP3    H249831  -1.821   2.440   1.271
 1450TIP3   OH249832  -1.653   2.441   3.074
 1450TIP3    H149833  -1.683   2.474   2.988
 1450TIP3    H249834  -1.646   2.345   3.059
 1450TIP3   OH249835  -1.386   2.556   1.320
 1450TIP3    H149836  -1.390   2.580   1.414
 1450TIP3    H249837  -1.367   2.462   1.325
 1451TIP3   OH249838  -1.115   2.404   2.816
 1451TIP3    H149839  -1.039   2.458   2.791
 1451TIP3    H249840  -1.187   2.469   2.811
 1451TIP3   OH249841  -2.228   2.141   3.056
 1451TIP3    H149842  -2.161   2.072   3.057
 1451TIP3    H249843  -2.236   2.157   3.152
 1451TIP3   OH249844  -1.783   2.268   1.554
 1451TIP3    H149845  -1.837   2.224   1.622
 1451TIP3    H249846  -1.741   2.193   1.510
 1451TIP3   OH249847  -1.865   2.047   2.798
 1451TIP3    H149848  -1.917   2.126   2.822
 1451TIP3    H249849  -1.799   2.085   2.737
 1451TIP3   OH249850  -1.333   2.320   3.158
 1451TIP3    H149851  -1.244   2.301   3.126
 1451TIP3    H249852  -1.360   2.235   3.195
 1451TIP3   OH249853  -0.736   2.316   1.319
 1451TIP3    H149854  -0.787   2.296   1.240
 1451TIP3    H249855  -0.742   2.414   1.319
 1451TIP3   OH249856  -1.802   1.780   2.914
 1451TIP3    H149857  -1.798   1.713   2.844
 1451TIP3    H249858  -1.826   1.860   2.864
 1451TIP3   OH249859  -1.771   1.622   2.659
 1451TIP3    H149860  -1.719   1.678   2.598
 1451TIP3    H249861  -1.862   1.628   2.625
 1451TIP3   OH249862  -1.615   2.169   2.700
 1451TIP3    H149863  -1.531   2.162   2.652
 1451TIP3    H249864  -1.647   2.256   2.670
 1451TIP3   OH249865  -1.158   1.962   3.174
 1451TIP3    H149866  -1.139   1.870   3.198
 1451TIP3    H249867  -1.069   2.002   3.179
 1452TIP3   OH249868  -1.057   2.235   3.020
 1452TIP3    H149869  -1.095   2.297   2.955
 1452TIP3    H249870  -0.965   2.231   2.988
 1452TIP3   OH249871  -1.979   1.965   3.092
 1452TIP3    H149872  -2.038   1.888   3.099
 1452TIP3    H249873  -1.902   1.926   3.048
 1452TIP3   OH249874  -1.699   1.355   2.694
 1452TIP3    H149875  -1.714   1.451   2.679
 1452TIP3    H249876  -1.771   1.317   2.641
 1452TIP3   OH249877  -1.569   1.812   3.073
 1452TIP3    H149878  -1.605   1.792   3.161
 1452TIP3    H249879  -1.649   1.795   3.019
 1452TIP3   OH249880  -1.313   1.716   2.951
 1452TIP3    H149881  -1.401   1.728   2.992
 1452TIP3    H249882  -1.269   1.659   3.017
 1452TIP3   OH249883  -1.132   1.571   3.133
 1452TIP3    H149884  -1.148   1.475   3.148
 1452TIP3    H249885  -1.152   1.611   3.219
 1452TIP3   OH249886  -2.115   1.707   3.079
 1452TIP3    H149887  -2.127   1.637   3.012
 1452TIP3    H249888  -2.139   1.660   3.161
 1452TIP3   OH249889  -1.716   1.306   2.977
 1452TIP3    H149890  -1.656   1.230   2.983
 1452TIP3    H249891  -1.718   1.322   2.881
 1452TIP3   OH249892  -1.621   1.492   3.161
 1452TIP3    H149893  -1.656   1.434   3.091
 1452TIP3    H249894  -1.689   1.562   3.166
 1452TIP3   OH249895  -1.714   3.193   1.507
 1452TIP3    H149896  -1.620   3.204   1.523
 1452TIP3    H249897  -1.724   3.245   1.426
 1453TIP3   OH249898  -2.322   2.636   1.467
 1453TIP3    H149899  -2.226   2.654   1.476
 1453TIP3    H249900  -2.321   2.560   1.406
 1453TIP3   OH249901  -2.425   3.157   1.942
 1453TIP3    H149902  -2.496   3.118   1.888
 1453TIP3    H249903  -2.411   3.088   2.010
 1453TIP3   OH249904  -2.388   2.959   2.138
 1453TIP3    H149905  -2.412   2.870   2.169
 1453TIP3    H249906  -2.347   2.993   2.219
 1453TIP3   OH249907  -0.630   3.088   2.438
 1453TIP3    H149908  -0.612   3.081   2.533
 1453TIP3    H249909  -0.544   3.113   2.403
 1453TIP3   OH249910  -0.641   3.030   2.727
 1453TIP3    H149911  -0.692   2.955   2.690
 1453TIP3    H249912  -0.584   2.983   2.789
 1453TIP3   OH249913  -0.840   2.569   3.157
 1453TIP3    H149914  -0.929   2.579   3.195
 1453TIP3    H249915  -0.795   2.650   3.185
 1453TIP3   OH249916  -0.716   2.466   1.707
 1453TIP3    H149917  -0.633   2.494   1.748
 1453TIP3    H249918  -0.757   2.415   1.779
 1453TIP3   OH249919  -0.653   2.249   1.923
 1453TIP3    H149920  -0.731   2.205   1.961
 1453TIP3    H249921  -0.593   2.262   1.998
 1453TIP3   OH249922  -0.679   2.508   2.427
 1453TIP3    H149923  -0.622   2.458   2.366
 1453TIP3    H249924  -0.671   2.599   2.392
 1453TIP3   OH249925  -0.810   2.800   2.649
 1453TIP3    H149926  -0.885   2.839   2.697
 1453TIP3    H249927  -0.855   2.764   2.569
 1454TIP3   OH249928  -0.627   2.206   1.588
 1454TIP3    H149929  -0.682   2.230   1.512
 1454TIP3    H249930  -0.647   2.278   1.650
 1454TIP3   OH249931  -0.781   1.957   1.399
 1454TIP3    H149932  -0.791   2.010   1.319
 1454TIP3    H249933  -0.827   1.875   1.373
 1454TIP3   OH249934  -0.888   2.096   1.978
 1454TIP3    H149935  -0.893   2.001   1.963
 1454TIP3    H249936  -0.929   2.109   2.065
 1454TIP3   OH249937  -2.378   2.298   2.379
 1454TIP3    H149938  -2.353   2.299   2.285
 1454TIP3    H249939  -2.292   2.273   2.418
 1454TIP3   OH249940  -0.788   2.254   2.941
 1454TIP3    H149941  -0.709   2.198   2.942
 1454TIP3    H249942  -0.752   2.336   2.904
 1454TIP3   OH249943  -0.625   2.021   3.056
 1454TIP3    H149944  -0.706   1.991   3.009
 1454TIP3    H249945  -0.552   1.978   3.010
 1454TIP3   OH249946  -0.871   1.695   1.331
 1454TIP3    H149947  -0.818   1.642   1.393
 1454TIP3    H249948  -0.962   1.662   1.344
 1454TIP3   OH249949  -0.872   1.828   1.833
 1454TIP3    H149950  -0.847   1.733   1.838
 1454TIP3    H249951  -0.794   1.863   1.787
 1454TIP3   OH249952  -0.851   1.876   2.372
 1454TIP3    H149953  -0.756   1.895   2.365
 1454TIP3    H249954  -0.864   1.884   2.468
 1454TIP3   OH249955  -0.805   1.924   2.669
 1454TIP3    H149956  -0.892   1.959   2.693
 1454TIP3    H249957  -0.757   2.005   2.642
 1455TIP3   OH249958  -2.386   1.827   3.009
 1455TIP3    H149959  -2.293   1.805   3.024
 1455TIP3    H249960  -2.430   1.742   3.026
 1455TIP3   OH249961  -0.600   1.403   3.125
 1455TIP3    H149962  -0.555   1.317   3.117
 1455TIP3    H249963  -0.529   1.462   3.096
 1455TIP3   OH249964  -0.826   1.552   1.824
 1455TIP3    H149965  -0.817   1.512   1.912
 1455TIP3    H249966  -0.898   1.498   1.785
 1455TIP3   OH249967  -2.309   1.661   2.299
 1455TIP3    H149968  -2.262   1.576   2.303
 1455TIP3    H249969  -2.239   1.722   2.332
 1455TIP3   OH249970  -2.455   1.930   2.401
 1455TIP3    H149971  -2.395   1.924   2.324
 1455TIP3    H249972  -2.416   2.004   2.448
 1455TIP3   OH249973  -0.626   1.580   1.482
 1455TIP3    H149974  -0.595   1.507   1.428
 1455TIP3    H249975  -0.544   1.631   1.492
 1455TIP3   OH249976  -2.404   1.565   1.809
 1455TIP3    H149977  -2.499   1.568   1.786
 1455TIP3    H249978  -2.363   1.624   1.742
 1455TIP3   OH249979  -0.940   3.101   2.016
 1455TIP3    H149980  -0.897   3.066   1.936
 1455TIP3    H249981  -0.865   3.123   2.072
 1455TIP3   OH249982  -2.400   1.450   2.621
 1455TIP3    H149983  -2.470   1.426   2.684
 1455TIP3    H249984  -2.450   1.503   2.557
 1455TIP3   OH249985  -2.201   2.766   3.090
 1455TIP3    H149986  -2.273   2.757   3.026
 1455TIP3    H249987  -2.246   2.752   3.175
 1456TIP3   OH249988  -1.918   2.859   2.658
 1456TIP3    H149989  -1.947   2.945   2.621
 1456TIP3    H249990  -1.822   2.867   2.640
 1456TIP3   OH249991  -1.468   2.991   2.959
 1456TIP3    H149992  -1.452   2.971   3.052
 1456TIP3    H249993  -1.384   3.034   2.933
 1456TIP3   OH249994  -1.236   3.136   2.889
 1456TIP3    H149995  -1.168   3.072   2.864
 1456TIP3    H249996  -1.204   3.166   2.976
 1456TIP3   OH249997  -0.766   1.436   2.814
 1456TIP3    H149998  -0.840   1.440   2.751
 1456TIP3    H249999  -0.731   1.346   2.793
 1456TIP3   OH250000  -2.181   3.154   2.690
 1456TIP3    H150001  -2.240   3.218   2.647
 1456TIP3    H250002  -2.213   3.159   2.781
 1456TIP3   OH250003  -1.931   3.132   2.547
 1456TIP3    H150004  -2.016   3.151   2.590
 1456TIP3    H250005  -1.926   3.200   2.478
 1456TIP3   OH250006  -1.457   3.130   2.502
 1456TIP3    H150007  -1.493   3.173   2.422
 1456TIP3    H250008  -1.448   3.206   2.562
 1456TIP3   OH250009  -1.224   3.005   2.599
 1456TIP3    H150010  -1.307   3.036   2.559
 1456TIP3    H250011  -1.166   3.082   2.588
 1456TIP3   OH250012  -0.967   3.177   2.613
 1456TIP3    H150013  -0.975   3.270   2.585
 1456TIP3    H250014  -0.941   3.134   2.530
 1456TIP3   OH250015  -2.224   3.032   2.383
 1456TIP3    H150016  -2.223   2.985   2.470
 1456TIP3    H250017  -2.145   2.990   2.341
 1457TIP3   OH250018  -2.021   2.911   2.231
 1457TIP3    H150019  -2.033   2.816   2.253
 1457TIP3    H250020  -1.928   2.925   2.258
 1457TIP3   OH250021  -1.747   2.956   2.318
 1457TIP3    H150022  -1.722   2.866   2.292
 1457TIP3    H250023  -1.737   2.950   2.415
 1457TIP3   OH250024  -1.407   1.543   2.250
 1457TIP3    H150025  -1.479   1.477   2.259
 1457TIP3    H250026  -1.350   1.502   2.183
 1457TIP3   OH250027  -0.916   1.348   2.294
 1457TIP3    H150028  -0.839   1.390   2.250
 1457TIP3    H250029  -0.990   1.378   2.238
 1457TIP3   OH250030  -0.709   1.456   2.085
 1457TIP3    H150031  -0.643   1.408   2.031
 1457TIP3    H250032  -0.674   1.547   2.084
 1457TIP3   OH250033  -2.171   1.406   2.005
 1457TIP3    H150034  -2.256   1.391   1.960
 1457TIP3    H250035  -2.125   1.322   1.986
 1457TIP3   OH250036  -2.295   1.365   1.595
 1457TIP3    H150037  -2.245   1.429   1.540
 1457TIP3    H250038  -2.335   1.422   1.662
 1457TIP3   OH250039  -1.734   1.400   1.983
 1457TIP3    H150040  -1.639   1.417   1.971
 1457TIP3    H250041  -1.737   1.364   2.073
 1457TIP3   OH250042  -1.164   1.399   2.135
 1457TIP3    H150043  -1.147   1.394   2.040
 1457TIP3    H250044  -1.208   1.314   2.153
 1457TIP3   OH250045  -1.050   1.407   1.719
 1457TIP3    H150046  -1.131   1.457   1.699
 1457TIP3    H250047  -1.085   1.316   1.732
 1458TIP3   OH250048  -2.283   2.961   1.710
 1458TIP3    H150049  -2.340   2.949   1.633
 1458TIP3    H250050  -2.276   3.057   1.713
 1458TIP3   OH250051  -2.124   1.548   1.432
 1458TIP3    H150052  -2.065   1.491   1.380
 1458TIP3    H250053  -2.062   1.582   1.500
 1458TIP3   OH250054  -1.620   1.559   1.695
 1458TIP3    H150055  -1.578   1.502   1.761
 1458TIP3    H250056  -1.591   1.646   1.726
 1458TIP3   OH250057  -1.409   3.141   1.519
 1458TIP3    H150058  -1.312   3.141   1.515
 1458TIP3    H250059  -1.429   3.073   1.452
 1458TIP3   OH250060  -0.758   3.046   1.778
 1458TIP3    H150061  -0.780   2.959   1.737
 1458TIP3    H250062  -0.764   3.105   1.701
 1458TIP3   OH250063  -2.195   1.438   2.953
 1458TIP3    H150064  -2.236   1.360   2.993
 1458TIP3    H250065  -2.104   1.429   2.985
 1458TIP3   OH250066  -1.957   1.378   3.130
 1458TIP3    H150067  -1.875   1.340   3.090
 1458TIP3    H250068  -1.993   1.299   3.174
 1458TIP3   OH250069  -2.138   3.048   1.388
 1458TIP3    H150070  -2.151   3.083   1.477
 1458TIP3    H250071  -2.054   2.999   1.396
 1458TIP3   OH250072  -1.148   1.289   3.145
 1458TIP3    H150073  -1.146   1.248   3.234
 1458TIP3    H250074  -1.053   1.285   3.121
 1458TIP3   OH250075  -0.809   2.922   3.016
 1458TIP3    H150076  -0.882   2.903   2.954
 1458TIP3    H250077  -0.827   3.016   3.036
 1459TIP3   OH250078   0.611   2.290   2.030
 1459TIP3    H150079   0.610   2.387   2.039
 1459TIP3    H250080   0.536   2.276   1.972
 1459TIP3   OH250081   0.494   2.235   2.338
 1459TIP3    H150082   0.495   2.178   2.416
 1459TIP3    H250083   0.470   2.173   2.268
 1459TIP3   OH250084  -0.258   2.194   2.506
 1459TIP3    H150085  -0.256   2.119   2.567
 1459TIP3    H250086  -0.183   2.247   2.537
 1459TIP3   OH250087   0.864   2.510   2.169
 1459TIP3    H150088   0.827   2.437   2.220
 1459TIP3    H250089   0.893   2.569   2.239
 1459TIP3   OH250090  -0.191   2.657   2.354
 1459TIP3    H150091  -0.214   2.566   2.328
 1459TIP3    H250092  -0.098   2.644   2.376
 1459TIP3   OH250093  -0.494   1.999   1.896
 1459TIP3    H150094  -0.536   2.087   1.895
 1459TIP3    H250095  -0.559   1.946   1.849
 1459TIP3   OH250096  -0.410   2.245   2.084
 1459TIP3    H150097  -0.397   2.158   2.126
 1459TIP3    H250098  -0.331   2.252   2.029
 1459TIP3   OH250099   0.572   3.045   2.226
 1459TIP3    H150100   0.629   2.974   2.192
 1459TIP3    H250101   0.543   3.009   2.311
 1459TIP3   OH250102   0.345   2.486   2.394
 1459TIP3    H150103   0.376   2.413   2.337
 1459TIP3    H250104   0.426   2.500   2.445
 1459TIP3   OH250105   1.211   1.638   2.457
 1459TIP3    H150106   1.237   1.699   2.528
 1459TIP3    H250107   1.273   1.665   2.387
 1460TIP3   OH250108   0.675   1.919   2.444
 1460TIP3    H150109   0.688   1.823   2.451
 1460TIP3    H250110   0.666   1.930   2.348
 1460TIP3   OH250111  -0.032   1.720   2.153
 1460TIP3    H150112  -0.014   1.804   2.107
 1460TIP3    H250113  -0.063   1.666   2.078
 1460TIP3   OH250114   0.757   1.737   1.984
 1460TIP3    H150115   0.815   1.694   2.051
 1460TIP3    H250116   0.823   1.780   1.928
 1460TIP3   OH250117  -0.361   1.991   2.204
 1460TIP3    H150118  -0.294   1.945   2.257
 1460TIP3    H250119  -0.352   1.946   2.118
 1460TIP3   OH250120   0.178   2.131   2.150
 1460TIP3    H150121   0.250   2.077   2.188
 1460TIP3    H250122   0.129   2.065   2.098
 1460TIP3   OH250123   1.286   1.776   2.706
 1460TIP3    H150124   1.226   1.846   2.677
 1460TIP3    H250125   1.261   1.770   2.800
 1460TIP3   OH250126  -0.156   1.595   2.571
 1460TIP3    H150127  -0.188   1.645   2.495
 1460TIP3    H250128  -0.214   1.626   2.642
 1460TIP3   OH250129   0.603   2.577   1.907
 1460TIP3    H150130   0.570   2.550   1.821
 1460TIP3    H250131   0.554   2.659   1.925
 1460TIP3   OH250132   0.146   2.388   2.581
 1460TIP3    H150133   0.072   2.448   2.605
 1460TIP3    H250134   0.208   2.448   2.536
 1460TIP3   OH250135   0.939   1.662   2.187
 1460TIP3    H150136   0.901   1.600   2.251
 1460TIP3    H250137   0.993   1.720   2.244
 1461TIP3   OH250138  -0.188   1.801   2.364
 1461TIP3    H150139  -0.123   1.860   2.408
 1461TIP3    H250140  -0.132   1.766   2.291
 1461TIP3   OH250141  -0.057   2.574   2.652
 1461TIP3    H150142  -0.060   2.667   2.622
 1461TIP3    H250143  -0.143   2.568   2.697
 1461TIP3   OH250144  -0.431   2.542   1.741
 1461TIP3    H150145  -0.454   2.590   1.660
 1461TIP3    H250146  -0.417   2.612   1.807
 1461TIP3   OH250147   0.920   2.690   2.420
 1461TIP3    H150148   0.823   2.701   2.421
 1461TIP3    H250149   0.948   2.775   2.381
 1461TIP3   OH250150   0.953   1.580   2.573
 1461TIP3    H150151   0.875   1.615   2.525
 1461TIP3    H250152   1.025   1.595   2.509
 1461TIP3   OH250153   0.265   1.350   2.274
 1461TIP3    H150154   0.246   1.254   2.271
 1461TIP3    H250155   0.184   1.385   2.314
 1461TIP3   OH250156   0.751   2.883   2.077
 1461TIP3    H150157   0.798   2.803   2.046
 1461TIP3    H250158   0.818   2.952   2.062
 1461TIP3   OH250159   0.895   2.670   1.937
 1461TIP3    H150160   0.844   2.623   1.870
 1461TIP3    H250161   0.890   2.606   2.011
 1461TIP3   OH250162   1.049   2.553   2.786
 1461TIP3    H150163   1.039   2.486   2.715
 1461TIP3    H250164   1.064   2.635   2.735
 1461TIP3   OH250165   0.477   2.244   1.757
 1461TIP3    H150166   0.410   2.301   1.714
 1461TIP3    H250167   0.548   2.245   1.690
 1462TIP3   OH250168   0.503   2.062   1.463
 1462TIP3    H150169   0.575   2.092   1.521
 1462TIP3    H250170   0.552   2.004   1.403
 1462TIP3   OH250171   1.225   2.169   2.580
 1462TIP3    H150172   1.154   2.235   2.588
 1462TIP3    H250173   1.274   2.203   2.503
 1462TIP3   OH250174   0.828   2.243   1.864
 1462TIP3    H150175   0.759   2.263   1.931
 1462TIP3    H250176   0.888   2.186   1.915
 1462TIP3   OH250177   0.811   2.096   2.748
 1462TIP3    H150178   0.816   2.178   2.799
 1462TIP3    H250179   0.746   2.123   2.681
 1462TIP3   OH250180  -0.014   2.319   2.041
 1462TIP3    H150181  -0.045   2.276   1.959
 1462TIP3    H250182   0.051   2.255   2.074
 1462TIP3   OH250183   0.124   2.661   2.314
 1462TIP3    H150184   0.112   2.620   2.227
 1462TIP3    H250185   0.203   2.614   2.348
 1462TIP3   OH250186   0.044   2.201   2.391
 1462TIP3    H150187   0.101   2.201   2.311
 1462TIP3    H250188   0.087   2.266   2.448
 1462TIP3   OH250189   0.638   2.753   2.448
 1462TIP3    H150190   0.643   2.818   2.520
 1462TIP3    H250191   0.617   2.670   2.494
 1462TIP3   OH250192   0.130   2.633   2.872
 1462TIP3    H150193   0.078   2.698   2.922
 1462TIP3    H250194   0.066   2.605   2.804
 1462TIP3   OH250195   0.723   2.188   1.608
 1462TIP3    H150196   0.772   2.215   1.689
 1462TIP3    H250197   0.772   2.239   1.538
 1463TIP3   OH250198  -0.178   2.277   2.784
 1463TIP3    H150199  -0.172   2.331   2.865
 1463TIP3    H250200  -0.273   2.261   2.777
 1463TIP3   OH250201   0.468   2.847   1.965
 1463TIP3    H150202   0.516   2.875   2.044
 1463TIP3    H250203   0.419   2.926   1.939
 1463TIP3   OH250204  -0.061   2.853   2.956
 1463TIP3    H150205  -0.071   2.854   2.859
 1463TIP3    H250206  -0.149   2.823   2.987
 1463TIP3   OH250207   1.086   1.341   1.559
 1463TIP3    H150208   0.997   1.344   1.597
 1463TIP3    H250209   1.116   1.432   1.568
 1463TIP3   OH250210  -0.124   2.196   1.798
 1463TIP3    H150211  -0.142   2.270   1.738
 1463TIP3    H250212  -0.185   2.128   1.766
 1463TIP3   OH250213   1.204   2.775   1.412
 1463TIP3    H150214   1.220   2.868   1.437
 1463TIP3    H250215   1.291   2.734   1.431
 1463TIP3   OH250216  -0.515   2.463   2.667
 1463TIP3    H150217  -0.560   2.464   2.580
 1463TIP3    H250218  -0.502   2.367   2.682
 1463TIP3   OH250219  -0.509   2.757   2.359
 1463TIP3    H150220  -0.418   2.723   2.363
 1463TIP3    H250221  -0.512   2.813   2.438
 1463TIP3   OH250222   1.329   2.813   2.937
 1463TIP3    H150223   1.319   2.718   2.919
 1463TIP3    H250224   1.238   2.837   2.965
 1463TIP3   OH250225   0.393   2.738   2.816
 1463TIP3    H150226   0.401   2.820   2.870
 1463TIP3    H250227   0.303   2.707   2.840
 1464TIP3   OH250228   0.419   3.120   1.816
 1464TIP3    H150229   0.422   3.126   1.719
 1464TIP3    H250230   0.430   3.212   1.843
 1464TIP3   OH250231  -0.199   3.034   1.978
 1464TIP3    H150232  -0.183   2.987   2.062
 1464TIP3    H250233  -0.279   2.990   1.946
 1464TIP3   OH250234   0.753   3.061   1.533
 1464TIP3    H150235   0.810   2.996   1.488
 1464TIP3    H250236   0.747   3.023   1.623
 1464TIP3   OH250237   0.691   3.005   1.814
 1464TIP3    H150238   0.595   3.014   1.827
 1464TIP3    H250239   0.709   2.931   1.875
 1464TIP3   OH250240   1.007   1.952   2.978
 1464TIP3    H150241   0.956   1.990   2.906
 1464TIP3    H250242   1.012   1.858   2.951
 1464TIP3   OH250243  -0.298   2.617   2.794
 1464TIP3    H150244  -0.268   2.568   2.873
 1464TIP3    H250245  -0.369   2.560   2.757
 1464TIP3   OH250246   0.023   1.461   2.368
 1464TIP3    H150247  -0.059   1.460   2.315
 1464TIP3    H250248   0.005   1.537   2.427
 1464TIP3   OH250249   0.460   1.417   2.723
 1464TIP3    H150250   0.515   1.374   2.792
 1464TIP3    H250251   0.370   1.391   2.750
 1464TIP3   OH250252   0.775   1.799   2.789
 1464TIP3    H150253   0.714   1.785   2.864
 1464TIP3    H250254   0.767   1.894   2.772
 1464TIP3   OH250255   0.874   2.295   1.400
 1464TIP3    H150256   0.856   2.270   1.307
 1464TIP3    H250257   0.969   2.316   1.396
 1465TIP3   OH250258   0.444   1.676   1.465
 1465TIP3    H150259   0.395   1.660   1.547
 1465TIP3    H250260   0.401   1.611   1.406
 1465TIP3   OH250261   0.007   1.941   2.506
 1465TIP3    H150262  -0.041   1.957   2.589
 1465TIP3    H250263   0.019   2.033   2.472
 1465TIP3   OH250264   0.004   1.950   1.997
 1465TIP3    H150265  -0.092   1.939   1.979
 1465TIP3    H250266   0.040   1.929   1.908
 1465TIP3   OH250267   0.565   2.006   1.875
 1465TIP3    H150268   0.525   2.088   1.840
 1465TIP3    H250269   0.633   1.988   1.808
 1465TIP3   OH250270   0.492   2.036   3.003
 1465TIP3    H150271   0.439   1.962   3.040
 1465TIP3    H250272   0.579   2.019   3.043
 1465TIP3   OH250273   0.650   1.946   2.152
 1465TIP3    H150274   0.621   2.002   2.078
 1465TIP3    H250275   0.672   1.864   2.103
 1465TIP3   OH250276  -0.268   1.961   2.701
 1465TIP3    H150277  -0.212   1.987   2.777
 1465TIP3    H250278  -0.295   1.871   2.726
 1465TIP3   OH250279   0.087   1.721   1.352
 1465TIP3    H150280   0.051   1.683   1.434
 1465TIP3    H250281   0.007   1.733   1.299
 1465TIP3   OH250282  -0.572   1.701   2.056
 1465TIP3    H150283  -0.505   1.697   2.126
 1465TIP3    H250284  -0.527   1.664   1.977
 1465TIP3   OH250285  -0.409   1.748   1.628
 1465TIP3    H150286  -0.357   1.795   1.560
 1465TIP3    H250287  -0.483   1.809   1.645
 1466TIP3   OH250288   0.560   2.113   2.599
 1466TIP3    H150289   0.604   2.041   2.548
 1466TIP3    H250290   0.528   2.064   2.676
 1466TIP3   OH250291   0.281   1.711   2.100
 1466TIP3    H150292   0.187   1.701   2.122
 1466TIP3    H250293   0.323   1.687   2.185
 1466TIP3   OH250294  -0.264   1.831   1.967
 1466TIP3    H150295  -0.345   1.855   1.920
 1466TIP3    H250296  -0.234   1.751   1.920
 1466TIP3   OH250297   0.101   1.869   1.738
 1466TIP3    H150298   0.198   1.871   1.741
 1466TIP3    H250299   0.078   1.925   1.663
 1466TIP3   OH250300   0.719   1.623   2.403
 1466TIP3    H150301   0.654   1.622   2.477
 1466TIP3    H250302   0.663   1.589   2.331
 1466TIP3   OH250303  -0.057   1.993   1.510
 1466TIP3    H150304  -0.111   1.958   1.438
 1466TIP3    H250305   0.027   2.009   1.464
 1466TIP3   OH250306   1.019   3.201   3.068
 1466TIP3    H150307   1.043   3.245   2.985
 1466TIP3    H250308   1.090   3.231   3.127
 1466TIP3   OH250309  -0.190   2.463   3.010
 1466TIP3    H150310  -0.120   2.469   3.080
 1466TIP3    H250311  -0.269   2.462   3.068
 1466TIP3   OH250312   0.382   1.963   2.283
 1466TIP3    H150313   0.455   1.919   2.236
 1466TIP3    H250314   0.366   1.901   2.357
 1466TIP3   OH250315  -0.091   1.600   1.903
 1466TIP3    H150316  -0.145   1.520   1.910
 1466TIP3    H250317  -0.010   1.567   1.862
 1467TIP3   OH250318   0.280   1.809   2.505
 1467TIP3    H150319   0.202   1.866   2.510
 1467TIP3    H250320   0.329   1.831   2.587
 1467TIP3   OH250321   0.290   2.451   1.696
 1467TIP3    H150322   0.217   2.396   1.661
 1467TIP3    H250323   0.274   2.450   1.793
 1467TIP3   OH250324   1.015   2.365   2.571
 1467TIP3    H150325   1.066   2.418   2.505
 1467TIP3    H250326   0.930   2.352   2.524
 1467TIP3   OH250327   0.716   1.722   1.466
 1467TIP3    H150328   0.618   1.721   1.464
 1467TIP3    H250329   0.736   1.796   1.526
 1467TIP3   OH250330   0.458   2.449   2.828
 1467TIP3    H150331   0.428   2.415   2.913
 1467TIP3    H250332   0.427   2.541   2.829
 1467TIP3   OH250333   0.775   1.910   1.677
 1467TIP3    H150334   0.863   1.894   1.717
 1467TIP3    H250335   0.787   1.997   1.634
 1467TIP3   OH250336  -0.191   2.388   2.279
 1467TIP3    H150337  -0.138   2.376   2.198
 1467TIP3    H250338  -0.182   2.300   2.320
 1467TIP3   OH250339   0.533   2.584   1.588
 1467TIP3    H150340   0.507   2.669   1.629
 1467TIP3    H250341   0.459   2.527   1.616
 1467TIP3   OH250342  -0.478   2.218   2.814
 1467TIP3    H150343  -0.443   2.167   2.890
 1467TIP3    H250344  -0.522   2.152   2.759
 1467TIP3   OH250345   0.232   2.170   2.998
 1467TIP3    H150346   0.201   2.139   2.911
 1467TIP3    H250347   0.324   2.137   2.996
 1468TIP3   OH250348   0.685   2.712   2.774
 1468TIP3    H150349   0.588   2.715   2.769
 1468TIP3    H250350   0.700   2.732   2.868
 1468TIP3   OH250351   1.237   1.911   1.653
 1468TIP3    H150352   1.181   1.890   1.577
 1468TIP3    H250353   1.247   2.008   1.638
 1468TIP3   OH250354   1.284   2.520   2.932
 1468TIP3    H150355   1.189   2.539   2.913
 1468TIP3    H250356   1.316   2.497   2.843
 1468TIP3   OH250357   1.058   2.774   1.663
 1468TIP3    H150358   1.034   2.696   1.716
 1468TIP3    H250359   1.111   2.736   1.592
 1468TIP3   OH250360   0.781   2.307   2.400
 1468TIP3    H150361   0.688   2.290   2.376
 1468TIP3    H250362   0.826   2.235   2.352
 1468TIP3   OH250363   0.044   2.715   2.005
 1468TIP3    H150364   0.087   2.800   1.991
 1468TIP3    H250365  -0.047   2.734   1.979
 1468TIP3   OH250366  -0.359   2.199   1.474
 1468TIP3    H150367  -0.301   2.266   1.515
 1468TIP3    H250368  -0.445   2.223   1.512
 1468TIP3   OH250369   0.229   2.484   1.968
 1468TIP3    H150370   0.196   2.575   1.981
 1468TIP3    H250371   0.158   2.432   2.010
 1468TIP3   OH250372   0.244   2.911   2.603
 1468TIP3    H150373   0.302   2.984   2.574
 1468TIP3    H250374   0.306   2.859   2.658
 1468TIP3   OH250375   0.089   3.005   1.927
 1468TIP3    H150376  -0.007   3.019   1.934
 1468TIP3    H250377   0.124   3.093   1.949
 1469TIP3   OH250378   0.586   2.486   2.559
 1469TIP3    H150379   0.557   2.456   2.647
 1469TIP3    H250380   0.659   2.424   2.540
 1469TIP3   OH250381   0.803   2.619   1.452
 1469TIP3    H150382   0.845   2.570   1.526
 1469TIP3    H250383   0.710   2.601   1.474
 1469TIP3   OH250384   0.880   2.942   2.799
 1469TIP3    H150385   0.805   2.895   2.758
 1469TIP3    H250386   0.889   3.020   2.741
 1469TIP3   OH250387   1.276   3.042   1.505
 1469TIP3    H150388   1.346   3.106   1.483
 1469TIP3    H250389   1.199   3.101   1.504
 1469TIP3   OH250390  -0.379   1.693   2.770
 1469TIP3    H150391  -0.437   1.671   2.696
 1469TIP3    H250392  -0.359   1.605   2.807
 1469TIP3   OH250393   0.900   2.477   1.689
 1469TIP3    H150394   0.872   2.404   1.747
 1469TIP3    H250395   0.997   2.473   1.698
 1469TIP3   OH250396  -0.360   2.855   2.607
 1469TIP3    H150397  -0.330   2.764   2.620
 1469TIP3    H250398  -0.335   2.894   2.692
 1469TIP3   OH250399   0.226   2.721   1.309
 1469TIP3    H150400   0.254   2.642   1.259
 1469TIP3    H250401   0.184   2.680   1.387
 1469TIP3   OH250402   0.110   2.672   1.579
 1469TIP3    H150403   0.162   2.617   1.640
 1469TIP3    H250404   0.126   2.762   1.613
 1469TIP3   OH250405  -0.206   2.420   1.621
 1469TIP3    H150406  -0.280   2.456   1.674
 1469TIP3    H250407  -0.160   2.501   1.595
 1470TIP3   OH250408   0.559   1.664   2.622
 1470TIP3    H150409   0.622   1.685   2.693
 1470TIP3    H250410   0.511   1.587   2.658
 1470TIP3   OH250411   0.627   1.605   1.746
 1470TIP3    H150412   0.643   1.658   1.667
 1470TIP3    H250413   0.673   1.656   1.814
 1470TIP3   OH250414   0.408   2.839   1.644
 1470TIP3    H150415   0.323   2.884   1.657
 1470TIP3    H250416   0.441   2.880   1.563
 1470TIP3   OH250417   0.367   1.805   1.842
 1470TIP3    H150418   0.443   1.865   1.855
 1470TIP3    H250419   0.338   1.789   1.933
 1470TIP3   OH250420   0.400   1.897   2.759
 1470TIP3    H150421   0.411   1.949   2.841
 1470TIP3    H250422   0.452   1.818   2.780
 1470TIP3   OH250423   0.426   1.509   1.934
 1470TIP3    H150424   0.407   1.578   2.001
 1470TIP3    H250425   0.500   1.550   1.885
 1470TIP3   OH250426   0.127   2.942   1.642
 1470TIP3    H150427   0.119   3.023   1.588
 1470TIP3    H250428   0.113   2.977   1.732
 1470TIP3   OH250429  -0.000   1.608   1.589
 1470TIP3    H150430  -0.003   1.683   1.650
 1470TIP3    H250431   0.080   1.561   1.617
 1470TIP3   OH250432   1.031   1.700   2.846
 1470TIP3    H150433   0.934   1.711   2.833
 1470TIP3    H250434   1.054   1.675   2.755
 1470TIP3   OH250435   0.882   2.083   2.249
 1470TIP3    H150436   0.800   2.037   2.221
 1470TIP3    H250437   0.930   2.011   2.295
 1471TIP3   OH250438  -0.162   2.698   1.495
 1471TIP3    H150439  -0.086   2.744   1.535
 1471TIP3    H250440  -0.115   2.647   1.428
 1471TIP3   OH250441  -0.349   1.916   1.391
 1471TIP3    H150442  -0.337   2.004   1.429
 1471TIP3    H250443  -0.444   1.908   1.384
 1471TIP3   OH250444   0.982   2.970   2.387
 1471TIP3    H150445   0.967   3.052   2.337
 1471TIP3    H250446   1.075   2.981   2.413
 1471TIP3   OH250447  -0.264   1.421   2.284
 1471TIP3    H150448  -0.273   1.413   2.187
 1471TIP3    H250449  -0.288   1.332   2.314
 1471TIP3   OH250450  -0.364   2.767   1.914
 1471TIP3    H150451  -0.445   2.816   1.936
 1471TIP3    H250452  -0.329   2.818   1.839
 1471TIP3   OH250453  -0.426   3.059   3.028
 1471TIP3    H150454  -0.367   3.031   3.101
 1471TIP3    H250455  -0.464   2.973   3.000
 1471TIP3   OH250456   0.042   2.965   3.207
 1471TIP3    H150457   0.112   2.902   3.228
 1471TIP3    H250458   0.021   2.938   3.116
 1471TIP3   OH250459   0.448   2.890   1.360
 1471TIP3    H150460   0.373   2.828   1.348
 1471TIP3    H250461   0.520   2.836   1.322
 1471TIP3   OH250462   0.690   2.793   3.066
 1471TIP3    H150463   0.652   2.711   3.102
 1471TIP3    H250464   0.760   2.813   3.130
 1471TIP3   OH250465   0.912   2.883   1.370
 1471TIP3    H150466   0.924   2.800   1.420
 1471TIP3    H250467   0.992   2.883   1.314
 1472TIP3   OH250468  -0.432   2.423   3.141
 1472TIP3    H150469  -0.418   2.333   3.109
 1472TIP3    H250470  -0.507   2.452   3.086
 1472TIP3   OH250471  -0.011   2.463   1.338
 1472TIP3    H150472   0.005   2.405   1.414
 1472TIP3    H250473   0.077   2.460   1.295
 1472TIP3   OH250474   0.232   2.441   3.075
 1472TIP3    H150475   0.203   2.472   2.988
 1472TIP3    H250476   0.240   2.344   3.061
 1472TIP3   OH250477   0.515   2.597   1.304
 1472TIP3    H150478   0.511   2.590   1.401
 1472TIP3    H250479   0.511   2.501   1.281
 1472TIP3   OH250480   0.770   2.402   2.814
 1472TIP3    H150481   0.848   2.455   2.793
 1472TIP3    H250482   0.700   2.470   2.811
 1472TIP3   OH250483  -0.340   2.132   3.055
 1472TIP3    H150484  -0.264   2.071   3.057
 1472TIP3    H250485  -0.346   2.154   3.149
 1472TIP3   OH250486   0.101   2.272   1.576
 1472TIP3    H150487   0.039   2.220   1.630
 1472TIP3    H250488   0.131   2.205   1.512
 1472TIP3   OH250489   0.014   2.050   2.789
 1472TIP3    H150490  -0.029   2.132   2.821
 1472TIP3    H250491   0.089   2.086   2.738
 1472TIP3   OH250492   0.196   2.073   1.403
 1472TIP3    H150493   0.194   2.082   1.306
 1472TIP3    H250494   0.292   2.068   1.419
 1472TIP3   OH250495   0.554   2.322   3.160
 1472TIP3    H150496   0.643   2.300   3.126
 1472TIP3    H250497   0.526   2.236   3.195
 1473TIP3   OH250498   1.146   2.322   1.330
 1473TIP3    H150499   1.129   2.284   1.242
 1473TIP3    H250500   1.137   2.417   1.309
 1473TIP3   OH250501   0.060   1.775   2.912
 1473TIP3    H150502   0.090   1.705   2.852
 1473TIP3    H250503   0.066   1.854   2.856
 1473TIP3   OH250504   0.115   1.624   2.662
 1473TIP3    H150505   0.173   1.666   2.595
 1473TIP3    H250506   0.027   1.626   2.621
 1473TIP3   OH250507   0.266   2.168   2.700
 1473TIP3    H150508   0.351   2.158   2.654
 1473TIP3    H250509   0.239   2.257   2.669
 1473TIP3   OH250510   0.730   1.964   3.182
 1473TIP3    H150511   0.747   1.869   3.188
 1473TIP3    H250512   0.820   1.999   3.174
 1473TIP3   OH250513   0.823   2.242   3.029
 1473TIP3    H150514   0.789   2.303   2.959
 1473TIP3    H250515   0.912   2.225   2.993
 1473TIP3   OH250516  -0.108   1.957   3.086
 1473TIP3    H150517  -0.162   1.877   3.096
 1473TIP3    H250518  -0.025   1.921   3.052
 1473TIP3   OH250519   0.190   1.339   2.695
 1473TIP3    H150520   0.167   1.430   2.720
 1473TIP3    H250521   0.111   1.308   2.650
 1473TIP3   OH250522   0.307   1.839   3.079
 1473TIP3    H150523   0.294   1.792   3.164
 1473TIP3    H250524   0.243   1.791   3.025
 1473TIP3   OH250525   0.560   1.722   2.970
 1473TIP3    H150526   0.469   1.710   3.002
 1473TIP3    H250527   0.606   1.654   3.022
 1474TIP3   OH250528   0.758   1.569   3.134
 1474TIP3    H150529   0.734   1.475   3.143
 1474TIP3    H250530   0.727   1.608   3.218
 1474TIP3   OH250531  -0.282   1.718   3.078
 1474TIP3    H150532  -0.252   1.650   3.017
 1474TIP3    H250533  -0.275   1.674   3.165
 1474TIP3   OH250534   0.171   3.198   1.512
 1474TIP3    H150535   0.267   3.207   1.521
 1474TIP3    H250536   0.158   3.241   1.426
 1474TIP3   OH250537  -0.439   2.639   1.464
 1474TIP3    H150538  -0.343   2.656   1.480
 1474TIP3    H250539  -0.435   2.559   1.407
 1474TIP3   OH250540  -0.540   3.157   1.939
 1474TIP3    H150541  -0.610   3.118   1.883
 1474TIP3    H250542  -0.528   3.087   2.006
 1474TIP3   OH250543  -0.500   2.959   2.137
 1474TIP3    H150544  -0.528   2.871   2.166
 1474TIP3    H250545  -0.463   2.992   2.220
 1474TIP3   OH250546   1.255   3.091   2.438
 1474TIP3    H150547   1.273   3.080   2.533
 1474TIP3    H250548   1.343   3.112   2.404
 1474TIP3   OH250549   1.246   3.030   2.725
 1474TIP3    H150550   1.193   2.955   2.690
 1474TIP3    H250551   1.302   2.982   2.788
 1474TIP3   OH250552   1.045   2.573   3.153
 1474TIP3    H150553   0.957   2.579   3.194
 1474TIP3    H250554   1.090   2.652   3.186
 1474TIP3   OH250555   1.185   2.463   1.728
 1474TIP3    H150556   1.276   2.494   1.745
 1474TIP3    H250557   1.176   2.398   1.800
 1475TIP3   OH250558   1.229   2.262   1.925
 1475TIP3    H150559   1.164   2.202   1.968
 1475TIP3    H250560   1.300   2.269   1.992
 1475TIP3   OH250561   1.203   2.508   2.422
 1475TIP3    H150562   1.265   2.457   2.368
 1475TIP3    H250563   1.219   2.599   2.391
 1475TIP3   OH250564   1.076   2.803   2.646
 1475TIP3    H150565   1.002   2.838   2.698
 1475TIP3    H250566   1.030   2.763   2.569
 1475TIP3   OH250567   1.257   2.202   1.582
 1475TIP3    H150568   1.206   2.230   1.504
 1475TIP3    H250569   1.243   2.278   1.642
 1475TIP3   OH250570   1.082   1.954   1.405
 1475TIP3    H150571   1.113   2.012   1.334
 1475TIP3    H250572   1.060   1.872   1.357
 1475TIP3   OH250573   1.023   2.072   2.006
 1475TIP3    H150574   1.018   1.976   1.990
 1475TIP3    H250575   0.986   2.080   2.096
 1475TIP3   OH250576  -0.491   2.291   2.376
 1475TIP3    H150577  -0.467   2.297   2.282
 1475TIP3    H250578  -0.403   2.271   2.415
 1475TIP3   OH250579   1.085   2.265   2.922
 1475TIP3    H150580   1.158   2.202   2.936
 1475TIP3    H250581   1.132   2.347   2.902
 1475TIP3   OH250582   1.239   2.074   3.046
 1475TIP3    H150583   1.161   2.021   3.021
 1475TIP3    H250584   1.311   2.008   3.040
 1475TIP3   OH250585   1.037   1.685   1.316
 1475TIP3    H150586   1.088   1.641   1.387
 1475TIP3    H250587   0.953   1.635   1.316
 1476TIP3   OH250588   1.010   1.821   1.825
 1476TIP3    H150589   1.034   1.726   1.829
 1476TIP3    H250590   1.091   1.857   1.784
 1476TIP3   OH250591   1.035   1.884   2.368
 1476TIP3    H150592   1.132   1.892   2.365
 1476TIP3    H250593   1.020   1.883   2.464
 1476TIP3   OH250594   1.051   1.951   2.651
 1476TIP3    H150595   0.966   1.990   2.677
 1476TIP3    H250596   1.104   2.031   2.628
 1476TIP3   OH250597   1.308   1.368   3.180
 1476TIP3    H150598   1.348   1.298   3.125
 1476TIP3    H250599   1.310   1.444   3.119
 1476TIP3   OH250600   1.059   1.542   1.821
 1476TIP3    H150601   1.068   1.507   1.912
 1476TIP3    H250602   0.984   1.490   1.787
 1476TIP3   OH250603  -0.426   1.660   2.306
 1476TIP3    H150604  -0.378   1.575   2.300
 1476TIP3    H250605  -0.352   1.720   2.329
 1476TIP3   OH250606  -0.565   1.926   2.412
 1476TIP3    H150607  -0.511   1.918   2.331
 1476TIP3    H250608  -0.531   2.009   2.448
 1476TIP3   OH250609   1.244   1.572   3.003
 1476TIP3    H150610   1.156   1.614   3.008
 1476TIP3    H250611   1.233   1.516   2.924
 1476TIP3   OH250612   1.252   1.599   1.495
 1476TIP3    H150613   1.281   1.518   1.452
 1476TIP3    H250614   1.336   1.648   1.502
 1476TIP3   OH250615  -0.517   1.567   1.817
 1476TIP3    H150616  -0.606   1.553   1.783
 1476TIP3    H250617  -0.469   1.600   1.738
 1477TIP3   OH250618   0.944   3.094   2.018
 1477TIP3    H150619   0.989   3.065   1.937
 1477TIP3    H250620   1.018   3.124   2.071
 1477TIP3   OH250621  -0.516   1.472   2.636
 1477TIP3    H150622  -0.576   1.404   2.667
 1477TIP3    H250623  -0.564   1.507   2.557
 1477TIP3   OH250624  -0.315   2.761   3.090
 1477TIP3    H150625  -0.388   2.757   3.026
 1477TIP3    H250626  -0.362   2.757   3.175
 1477TIP3   OH250627  -0.032   2.859   2.657
 1477TIP3    H150628  -0.061   2.945   2.622
 1477TIP3    H250629   0.064   2.867   2.641
 1477TIP3   OH250630   0.419   2.991   2.959
 1477TIP3    H150631   0.434   2.972   3.053
 1477TIP3    H250632   0.503   3.034   2.934
 1477TIP3   OH250633   0.649   3.136   2.882
 1477TIP3    H150634   0.717   3.071   2.859
 1477TIP3    H250635   0.679   3.165   2.970
 1477TIP3   OH250636   1.133   1.395   2.801
 1477TIP3    H150637   1.051   1.414   2.751
 1477TIP3    H250638   1.154   1.305   2.769
 1477TIP3   OH250639  -0.294   3.155   2.690
 1477TIP3    H150640  -0.354   3.218   2.646
 1477TIP3    H250641  -0.328   3.158   2.781
 1477TIP3   OH250642  -0.044   3.132   2.547
 1477TIP3    H150643  -0.130   3.149   2.590
 1477TIP3    H250644  -0.042   3.200   2.477
 1477TIP3   OH250645   0.429   3.131   2.502
 1477TIP3    H150646   0.392   3.175   2.424
 1477TIP3    H250647   0.438   3.205   2.565
 1478TIP3   OH250648   0.664   3.003   2.594
 1478TIP3    H150649   0.579   3.038   2.560
 1478TIP3    H250650   0.720   3.082   2.592
 1478TIP3   OH250651   0.917   3.176   2.613
 1478TIP3    H150652   0.913   3.271   2.589
 1478TIP3    H250653   0.945   3.137   2.528
 1478TIP3   OH250654  -0.336   3.034   2.385
 1478TIP3    H150655  -0.338   2.984   2.470
 1478TIP3    H250656  -0.261   2.990   2.341
 1478TIP3   OH250657  -0.135   2.910   2.231
 1478TIP3    H150658  -0.149   2.816   2.254
 1478TIP3    H250659  -0.043   2.924   2.260
 1478TIP3   OH250660   0.142   2.956   2.318
 1478TIP3    H150661   0.161   2.863   2.294
 1478TIP3    H250662   0.149   2.951   2.414
 1478TIP3   OH250663   0.473   1.546   2.246
 1478TIP3    H150664   0.405   1.477   2.263
 1478TIP3    H250665   0.534   1.498   2.188
 1478TIP3   OH250666   0.970   1.348   2.294
 1478TIP3    H150667   1.046   1.390   2.250
 1478TIP3    H250668   0.895   1.375   2.238
 1478TIP3   OH250669   1.178   1.457   2.085
 1478TIP3    H150670   1.245   1.411   2.030
 1478TIP3    H250671   1.213   1.548   2.087
 1478TIP3   OH250672  -0.294   1.394   2.006
 1478TIP3    H150673  -0.377   1.392   1.954
 1478TIP3    H250674  -0.255   1.308   1.981
 1478TIP3   OH250675   0.155   1.402   1.992
 1478TIP3    H150676   0.248   1.426   1.975
 1478TIP3    H250677   0.157   1.387   2.087
 1479TIP3   OH250678   0.718   1.401   2.134
 1479TIP3    H150679   0.742   1.384   2.042
 1479TIP3    H250680   0.677   1.316   2.159
 1479TIP3   OH250681   0.830   1.395   1.722
 1479TIP3    H150682   0.748   1.447   1.709
 1479TIP3    H250683   0.793   1.307   1.744
 1479TIP3   OH250684  -0.391   2.961   1.709
 1479TIP3    H150685  -0.454   2.947   1.637
 1479TIP3    H250686  -0.393   3.057   1.715
 1479TIP3   OH250687  -0.239   1.574   1.414
 1479TIP3    H150688  -0.203   1.489   1.383
 1479TIP3    H250689  -0.193   1.582   1.499
 1479TIP3   OH250690   0.270   1.563   1.696
 1479TIP3    H150691   0.305   1.505   1.766
 1479TIP3    H250692   0.291   1.649   1.734
 1479TIP3   OH250693   0.477   3.144   1.519
 1479TIP3    H150694   0.574   3.144   1.515
 1479TIP3    H250695   0.456   3.078   1.452
 1479TIP3   OH250696   1.125   3.046   1.778
 1479TIP3    H150697   1.104   2.961   1.735
 1479TIP3    H250698   1.125   3.106   1.702
 1479TIP3   OH250699  -0.316   1.434   2.953
 1479TIP3    H150700  -0.345   1.349   2.991
 1479TIP3    H250701  -0.222   1.433   2.982
 1479TIP3   OH250702  -0.085   1.376   3.122
 1479TIP3    H150703   0.011   1.374   3.104
 1479TIP3    H250704  -0.097   1.290   3.166
 1479TIP3   OH250705  -0.248   3.056   1.387
 1479TIP3    H150706  -0.271   3.082   1.477
 1479TIP3    H250707  -0.170   2.998   1.401
 1480TIP3   OH250708   0.739   1.289   3.148
 1480TIP3    H150709   0.746   1.249   3.236
 1480TIP3    H250710   0.832   1.287   3.118
 1480TIP3   OH250711   1.077   2.923   3.016
 1480TIP3    H150712   1.004   2.902   2.955
 1480TIP3    H250713   1.058   3.017   3.036
 1480TIP3   OH250714   2.500   2.291   2.025
 1480TIP3    H150715   2.495   2.386   2.043
 1480TIP3    H250716   2.419   2.277   1.974
 1480TIP3   OH250717   2.395   2.229   2.337
 1480TIP3    H150718   2.367   2.191   2.421
 1480TIP3    H250719   2.353   2.168   2.273
 1480TIP3   OH250720   1.631   2.196   2.504
 1480TIP3    H150721   1.631   2.122   2.567
 1480TIP3    H250722   1.708   2.246   2.536
 1480TIP3   OH250723   2.752   2.508   2.169
 1480TIP3    H150724   2.711   2.437   2.220
 1480TIP3    H250725   2.775   2.571   2.239
 1480TIP3   OH250726   1.697   2.657   2.356
 1480TIP3    H150727   1.672   2.565   2.333
 1480TIP3    H250728   1.786   2.641   2.390
 1480TIP3   OH250729   1.395   1.997   1.891
 1480TIP3    H150730   1.353   2.084   1.900
 1480TIP3    H250731   1.324   1.945   1.852
 1480TIP3   OH250732   1.473   2.242   2.076
 1480TIP3    H150733   1.488   2.160   2.127
 1480TIP3    H250734   1.559   2.254   2.033
 1480TIP3   OH250735   2.460   3.046   2.226
 1480TIP3    H150736   2.516   2.973   2.193
 1480TIP3    H250737   2.427   3.010   2.309
 1481TIP3   OH250738   2.232   2.492   2.372
 1481TIP3    H150739   2.266   2.411   2.331
 1481TIP3    H250740   2.287   2.496   2.452
 1481TIP3   OH250741   3.100   1.634   2.461
 1481TIP3    H150742   3.121   1.700   2.529
 1481TIP3    H250743   3.156   1.666   2.387
 1481TIP3   OH250744   2.561   1.920   2.448
 1481TIP3    H150745   2.570   1.824   2.450
 1481TIP3    H250746   2.549   1.937   2.353
 1481TIP3   OH250747   1.860   1.719   2.152
 1481TIP3    H150748   1.870   1.806   2.107
 1481TIP3    H250749   1.823   1.667   2.079
 1481TIP3   OH250750   2.643   1.735   1.984
 1481TIP3    H150751   2.703   1.694   2.050
 1481TIP3    H250752   2.706   1.782   1.928
 1481TIP3   OH250753   1.526   1.993   2.203
 1481TIP3    H150754   1.589   1.946   2.260
 1481TIP3    H250755   1.534   1.944   2.119
 1481TIP3   OH250756   2.063   2.132   2.152
 1481TIP3    H150757   2.131   2.076   2.194
 1481TIP3    H250758   2.010   2.066   2.104
 1481TIP3   OH250759   3.171   1.775   2.707
 1481TIP3    H150760   3.113   1.847   2.677
 1481TIP3    H250761   3.149   1.772   2.801
 1481TIP3   OH250762   1.739   1.599   2.568
 1481TIP3    H150763   1.698   1.648   2.496
 1481TIP3    H250764   1.672   1.612   2.638
 1481TIP3   OH250765   2.493   2.580   1.905
 1481TIP3    H150766   2.452   2.549   1.824
 1481TIP3    H250767   2.441   2.661   1.926
 1482TIP3   OH250768   2.830   1.656   2.190
 1482TIP3    H150769   2.779   1.607   2.255
 1482TIP3    H250770   2.876   1.722   2.245
 1482TIP3   OH250771   1.698   1.803   2.363
 1482TIP3    H150772   1.761   1.862   2.409
 1482TIP3    H250773   1.756   1.767   2.292
 1482TIP3   OH250774   1.841   2.553   2.620
 1482TIP3    H150775   1.844   2.649   2.612
 1482TIP3    H250776   1.767   2.538   2.680
 1482TIP3   OH250777   1.461   2.545   1.741
 1482TIP3    H150778   1.441   2.596   1.661
 1482TIP3    H250779   1.478   2.615   1.808
 1482TIP3   OH250780   2.808   2.691   2.421
 1482TIP3    H150781   2.711   2.698   2.425
 1482TIP3    H250782   2.830   2.777   2.381
 1482TIP3   OH250783   2.840   1.565   2.573
 1482TIP3    H150784   2.763   1.610   2.534
 1482TIP3    H250785   2.911   1.590   2.511
 1482TIP3   OH250786   2.161   1.338   2.296
 1482TIP3    H150787   2.126   1.248   2.282
 1482TIP3    H250788   2.079   1.385   2.323
 1482TIP3   OH250789   2.639   2.882   2.080
 1482TIP3    H150790   2.685   2.803   2.045
 1482TIP3    H250791   2.703   2.953   2.061
 1482TIP3   OH250792   2.784   2.668   1.936
 1482TIP3    H150793   2.727   2.625   1.871
 1482TIP3    H250794   2.777   2.605   2.010
 1482TIP3   OH250795   2.941   2.555   2.786
 1482TIP3    H150796   2.924   2.487   2.718
 1482TIP3    H250797   2.948   2.635   2.732
 1483TIP3   OH250798   2.361   2.242   1.757
 1483TIP3    H150799   2.294   2.302   1.719
 1483TIP3    H250800   2.431   2.247   1.690
 1483TIP3   OH250801   2.390   2.061   1.462
 1483TIP3    H150802   2.460   2.092   1.521
 1483TIP3    H250803   2.440   2.004   1.402
 1483TIP3   OH250804   3.112   2.170   2.580
 1483TIP3    H150805   3.038   2.234   2.588
 1483TIP3    H250806   3.159   2.205   2.502
 1483TIP3   OH250807   2.715   2.242   1.862
 1483TIP3    H150808   2.644   2.265   1.928
 1483TIP3    H250809   2.772   2.186   1.916
 1483TIP3   OH250810   2.697   2.099   2.744
 1483TIP3    H150811   2.698   2.183   2.792
 1483TIP3    H250812   2.621   2.117   2.685
 1483TIP3   OH250813   1.873   2.321   2.039
 1483TIP3    H150814   1.842   2.274   1.959
 1483TIP3    H250815   1.935   2.257   2.078
 1483TIP3   OH250816   2.014   2.670   2.310
 1483TIP3    H150817   1.998   2.616   2.231
 1483TIP3    H250818   2.083   2.616   2.354
 1483TIP3   OH250819   1.934   2.220   2.402
 1483TIP3    H150820   1.997   2.222   2.329
 1483TIP3    H250821   1.979   2.272   2.471
 1483TIP3   OH250822   2.533   2.751   2.449
 1483TIP3    H150823   2.528   2.814   2.523
 1483TIP3    H250824   2.501   2.668   2.488
 1483TIP3   OH250825   2.022   2.642   2.880
 1483TIP3    H150826   1.957   2.704   2.917
 1483TIP3    H250827   1.970   2.596   2.811
 1484TIP3   OH250828   2.609   2.187   1.609
 1484TIP3    H150829   2.655   2.215   1.691
 1484TIP3    H250830   2.658   2.239   1.541
 1484TIP3   OH250831   1.703   2.267   2.787
 1484TIP3    H150832   1.714   2.326   2.864
 1484TIP3    H250833   1.607   2.258   2.782
 1484TIP3   OH250834   2.358   2.849   1.963
 1484TIP3    H150835   2.397   2.875   2.047
 1484TIP3    H250836   2.304   2.925   1.939
 1484TIP3   OH250837   1.822   2.855   2.952
 1484TIP3    H150838   1.814   2.850   2.855
 1484TIP3    H250839   1.735   2.822   2.983
 1484TIP3   OH250840   2.954   1.359   1.562
 1484TIP3    H150841   2.864   1.369   1.598
 1484TIP3    H250842   2.987   1.450   1.564
 1484TIP3   OH250843   1.765   2.193   1.795
 1484TIP3    H150844   1.743   2.268   1.738
 1484TIP3    H250845   1.699   2.128   1.768
 1484TIP3   OH250846   3.090   2.774   1.411
 1484TIP3    H150847   3.105   2.868   1.436
 1484TIP3    H250848   3.176   2.734   1.433
 1484TIP3   OH250849   1.368   2.462   2.668
 1484TIP3    H150850   1.327   2.460   2.580
 1484TIP3    H250851   1.386   2.368   2.685
 1484TIP3   OH250852   1.377   2.757   2.359
 1484TIP3    H150853   1.467   2.722   2.364
 1484TIP3    H250854   1.374   2.811   2.439
 1484TIP3   OH250855   3.208   2.818   2.937
 1484TIP3    H150856   3.205   2.723   2.915
 1484TIP3    H250857   3.119   2.832   2.970
 1485TIP3   OH250858   2.275   2.748   2.807
 1485TIP3    H150859   2.278   2.824   2.867
 1485TIP3    H250860   2.190   2.706   2.834
 1485TIP3   OH250861   2.307   3.120   1.815
 1485TIP3    H150862   2.308   3.128   1.718
 1485TIP3    H250863   2.314   3.212   1.844
 1485TIP3   OH250864   1.688   3.034   1.979
 1485TIP3    H150865   1.704   2.986   2.063
 1485TIP3    H250866   1.607   2.990   1.948
 1485TIP3   OH250867   2.638   3.061   1.532
 1485TIP3    H150868   2.695   2.995   1.488
 1485TIP3    H250869   2.632   3.023   1.622
 1485TIP3   OH250870   2.577   3.004   1.814
 1485TIP3    H150871   2.481   3.016   1.827
 1485TIP3    H250872   2.592   2.929   1.875
 1485TIP3   OH250873   2.896   1.952   2.977
 1485TIP3    H150874   2.838   1.990   2.909
 1485TIP3    H250875   2.896   1.858   2.951
 1485TIP3   OH250876   1.602   2.619   2.788
 1485TIP3    H150877   1.632   2.569   2.867
 1485TIP3    H250878   1.530   2.564   2.754
 1485TIP3   OH250879   1.913   1.461   2.365
 1485TIP3    H150880   1.829   1.456   2.314
 1485TIP3    H250881   1.891   1.536   2.423
 1485TIP3   OH250882   2.347   1.418   2.731
 1485TIP3    H150883   2.392   1.368   2.802
 1485TIP3    H250884   2.253   1.393   2.742
 1485TIP3   OH250885   2.667   1.801   2.789
 1485TIP3    H150886   2.600   1.785   2.858
 1485TIP3    H250887   2.652   1.894   2.765
 1486TIP3   OH250888   2.764   2.295   1.410
 1486TIP3    H150889   2.743   2.278   1.316
 1486TIP3    H250890   2.858   2.320   1.403
 1486TIP3   OH250891   2.327   1.669   1.459
 1486TIP3    H150892   2.275   1.657   1.540
 1486TIP3    H250893   2.284   1.604   1.401
 1486TIP3   OH250894   1.893   1.949   2.501
 1486TIP3    H150895   1.846   1.959   2.586
 1486TIP3    H250896   1.906   2.042   2.475
 1486TIP3   OH250897   1.890   1.949   1.997
 1486TIP3    H150898   1.794   1.940   1.981
 1486TIP3    H250899   1.924   1.930   1.908
 1486TIP3   OH250900   2.449   2.005   1.875
 1486TIP3    H150901   2.408   2.088   1.843
 1486TIP3    H250902   2.517   1.990   1.808
 1486TIP3   OH250903   2.373   2.026   3.013
 1486TIP3    H150904   2.318   1.953   3.046
 1486TIP3    H250905   2.459   2.008   3.055
 1486TIP3   OH250906   2.536   1.944   2.153
 1486TIP3    H150907   2.505   2.004   2.082
 1486TIP3    H250908   2.555   1.865   2.100
 1486TIP3   OH250909   1.623   1.959   2.694
 1486TIP3    H150910   1.663   1.989   2.776
 1486TIP3    H250911   1.595   1.869   2.715
 1486TIP3   OH250912   1.970   1.721   1.352
 1486TIP3    H150913   1.934   1.682   1.434
 1486TIP3    H250914   1.891   1.728   1.297
 1486TIP3   OH250915   1.315   1.711   2.057
 1486TIP3    H150916   1.376   1.700   2.132
 1486TIP3    H250917   1.360   1.667   1.983
 1487TIP3   OH250918   1.477   1.749   1.629
 1487TIP3    H150919   1.531   1.798   1.563
 1487TIP3    H250920   1.407   1.813   1.649
 1487TIP3   OH250921   2.456   2.120   2.615
 1487TIP3    H150922   2.479   2.044   2.557
 1487TIP3    H250923   2.380   2.086   2.666
 1487TIP3   OH250924   2.166   1.704   2.099
 1487TIP3    H150925   2.071   1.704   2.119
 1487TIP3    H250926   2.204   1.695   2.188
 1487TIP3   OH250927   1.624   1.833   1.967
 1487TIP3    H150928   1.541   1.858   1.923
 1487TIP3    H250929   1.650   1.751   1.919
 1487TIP3   OH250930   1.987   1.864   1.735
 1487TIP3    H150931   2.084   1.875   1.740
 1487TIP3    H250932   1.960   1.924   1.664
 1487TIP3   OH250933   2.607   1.618   2.401
 1487TIP3    H150934   2.544   1.624   2.476
 1487TIP3    H250935   2.544   1.590   2.331
 1487TIP3   OH250936   1.831   1.989   1.513
 1487TIP3    H150937   1.773   1.958   1.442
 1487TIP3    H250938   1.913   2.009   1.463
 1487TIP3   OH250939   1.696   2.464   3.010
 1487TIP3    H150940   1.764   2.470   3.080
 1487TIP3    H250941   1.616   2.461   3.066
 1487TIP3   OH250942   2.266   1.962   2.280
 1487TIP3    H150943   2.342   1.920   2.237
 1487TIP3    H250944   2.251   1.903   2.357
 1487TIP3   OH250945   1.794   1.600   1.904
 1487TIP3    H150946   1.738   1.521   1.913
 1487TIP3    H250947   1.872   1.564   1.860
 1488TIP3   OH250948   2.164   1.809   2.506
 1488TIP3    H150949   2.087   1.868   2.502
 1488TIP3    H250950   2.211   1.840   2.586
 1488TIP3   OH250951   2.179   2.448   1.696
 1488TIP3    H150952   2.103   2.396   1.661
 1488TIP3    H250953   2.158   2.453   1.792
 1488TIP3   OH250954   2.903   2.363   2.570
 1488TIP3    H150955   2.950   2.418   2.504
 1488TIP3    H250956   2.816   2.351   2.528
 1488TIP3   OH250957   2.594   1.730   1.475
 1488TIP3    H150958   2.496   1.728   1.470
 1488TIP3    H250959   2.612   1.804   1.536
 1488TIP3   OH250960   2.382   2.472   2.860
 1488TIP3    H150961   2.322   2.405   2.895
 1488TIP3    H250962   2.319   2.534   2.821
 1488TIP3   OH250963   2.663   1.914   1.680
 1488TIP3    H150964   2.751   1.898   1.718
 1488TIP3    H250965   2.672   2.001   1.638
 1488TIP3   OH250966   1.687   2.387   2.276
 1488TIP3    H150967   1.750   2.377   2.202
 1488TIP3    H250968   1.705   2.306   2.328
 1488TIP3   OH250969   2.418   2.584   1.586
 1488TIP3    H150970   2.394   2.669   1.628
 1488TIP3    H250971   2.344   2.527   1.616
 1488TIP3   OH250972   1.413   2.217   2.809
 1488TIP3    H150973   1.435   2.168   2.891
 1488TIP3    H250974   1.360   2.152   2.759
 1488TIP3   OH250975   2.114   2.157   3.007
 1488TIP3    H150976   2.081   2.166   2.915
 1488TIP3    H250977   2.208   2.137   2.988
 1489TIP3   OH250978   2.575   2.730   2.773
 1489TIP3    H150979   2.481   2.711   2.759
 1489TIP3    H250980   2.581   2.725   2.869
 1489TIP3   OH250981   3.122   1.911   1.653
 1489TIP3    H150982   3.066   1.893   1.574
 1489TIP3    H250983   3.134   2.007   1.640
 1489TIP3   OH250984   3.169   2.519   2.934
 1489TIP3    H150985   3.075   2.538   2.911
 1489TIP3    H250986   3.205   2.499   2.846
 1489TIP3   OH250987   2.943   2.774   1.663
 1489TIP3    H150988   2.919   2.697   1.717
 1489TIP3    H250989   2.996   2.735   1.592
 1489TIP3   OH250990   2.667   2.308   2.399
 1489TIP3    H150991   2.573   2.290   2.378
 1489TIP3    H250992   2.710   2.234   2.352
 1489TIP3   OH250993   1.930   2.713   1.996
 1489TIP3    H150994   1.972   2.800   1.993
 1489TIP3    H250995   1.837   2.734   1.981
 1489TIP3   OH250996   1.530   2.195   1.466
 1489TIP3    H150997   1.587   2.263   1.506
 1489TIP3    H250998   1.442   2.222   1.499
 1489TIP3   OH250999   2.114   2.484   1.963
 1489TIP3    H151000   2.082   2.574   1.981
 1489TIP3    H251001   2.047   2.431   2.009
 1489TIP3   OH251002   2.128   2.912   2.603
 1489TIP3    H151003   2.188   2.983   2.575
 1489TIP3    H251004   2.188   2.856   2.655
 1489TIP3   OH251005   1.975   3.006   1.925
 1489TIP3    H151006   1.880   3.019   1.934
 1489TIP3    H251007   2.009   3.094   1.949
 1490TIP3   OH251008   2.481   2.491   2.566
 1490TIP3    H151009   2.438   2.451   2.644
 1490TIP3    H251010   2.544   2.422   2.541
 1490TIP3   OH251011   2.688   2.617   1.452
 1490TIP3    H151012   2.730   2.569   1.526
 1490TIP3    H251013   2.595   2.602   1.475
 1490TIP3   OH251014   2.770   2.944   2.802
 1490TIP3    H151015   2.695   2.889   2.768
 1490TIP3    H251016   2.771   3.018   2.737
 1490TIP3   OH251017   3.163   3.041   1.504
 1490TIP3    H151018   3.232   3.106   1.481
 1490TIP3    H251019   3.085   3.101   1.505
 1490TIP3   OH251020   1.550   1.679   2.768
 1490TIP3    H151021   1.460   1.705   2.741
 1490TIP3    H251022   1.535   1.591   2.807
 1490TIP3   OH251023   2.785   2.477   1.688
 1490TIP3    H151024   2.756   2.405   1.748
 1490TIP3    H251025   2.882   2.474   1.699
 1490TIP3   OH251026   1.525   2.855   2.607
 1490TIP3    H151027   1.559   2.764   2.620
 1490TIP3    H251028   1.550   2.893   2.692
 1490TIP3   OH251029   2.112   2.720   1.308
 1490TIP3    H151030   2.141   2.640   1.260
 1490TIP3    H251031   2.069   2.681   1.386
 1490TIP3   OH251032   1.997   2.673   1.578
 1490TIP3    H151033   2.045   2.618   1.642
 1490TIP3    H251034   2.011   2.763   1.613
 1490TIP3   OH251035   1.680   2.416   1.617
 1490TIP3    H151036   1.607   2.454   1.672
 1490TIP3    H251037   1.728   2.497   1.592
 1491TIP3   OH251038   2.451   1.663   2.620
 1491TIP3    H151039   2.503   1.693   2.695
 1491TIP3    H251040   2.394   1.594   2.660
 1491TIP3   OH251041   2.513   1.605   1.748
 1491TIP3    H151042   2.526   1.659   1.668
 1491TIP3    H251043   2.554   1.660   1.816
 1491TIP3   OH251044   2.293   2.837   1.643
 1491TIP3    H151045   2.209   2.884   1.659
 1491TIP3    H251046   2.326   2.881   1.564
 1491TIP3   OH251047   2.255   1.803   1.843
 1491TIP3    H151048   2.328   1.868   1.857
 1491TIP3    H251049   2.222   1.791   1.933
 1491TIP3   OH251050   2.284   1.910   2.755
 1491TIP3    H151051   2.291   1.962   2.837
 1491TIP3    H251052   2.335   1.832   2.778
 1491TIP3   OH251053   2.315   1.508   1.942
 1491TIP3    H151054   2.287   1.582   1.999
 1491TIP3    H251055   2.382   1.550   1.886
 1491TIP3   OH251056   2.012   2.942   1.642
 1491TIP3    H151057   2.005   3.024   1.589
 1491TIP3    H251058   1.998   2.976   1.733
 1491TIP3   OH251059   1.884   1.608   1.589
 1491TIP3    H151060   1.884   1.684   1.650
 1491TIP3    H251061   1.965   1.561   1.617
 1491TIP3   OH251062   2.917   1.696   2.846
 1491TIP3    H151063   2.822   1.714   2.834
 1491TIP3    H251064   2.940   1.679   2.753
 1491TIP3   OH251065   2.770   2.081   2.246
 1491TIP3    H151066   2.684   2.041   2.223
 1491TIP3    H251067   2.814   2.009   2.295
 1492TIP3   OH251068   1.724   2.698   1.495
 1492TIP3    H151069   1.799   2.745   1.535
 1492TIP3    H251070   1.773   2.646   1.429
 1492TIP3   OH251071   1.536   1.918   1.397
 1492TIP3    H151072   1.550   2.010   1.425
 1492TIP3    H251073   1.442   1.917   1.376
 1492TIP3   OH251074   2.870   2.970   2.388
 1492TIP3    H151075   2.851   3.049   2.336
 1492TIP3    H251076   2.963   2.984   2.410
 1492TIP3   OH251077   1.632   1.418   2.283
 1492TIP3    H151078   1.613   1.413   2.187
 1492TIP3    H251079   1.597   1.333   2.315
 1492TIP3   OH251080   1.520   2.769   1.915
 1492TIP3    H151081   1.441   2.820   1.937
 1492TIP3    H251082   1.557   2.820   1.842
 1492TIP3   OH251083   1.459   3.059   3.028
 1492TIP3    H151084   1.518   3.030   3.101
 1492TIP3    H251085   1.422   2.973   3.000
 1492TIP3   OH251086   1.931   2.965   3.207
 1492TIP3    H151087   1.998   2.897   3.226
 1492TIP3    H251088   1.906   2.940   3.116
 1492TIP3   OH251089   2.334   2.890   1.358
 1492TIP3    H151090   2.258   2.829   1.349
 1492TIP3    H251091   2.405   2.835   1.322
 1492TIP3   OH251092   2.571   2.796   3.069
 1492TIP3    H151093   2.527   2.712   3.094
 1492TIP3    H251094   2.644   2.800   3.133
 1492TIP3   OH251095   2.797   2.882   1.369
 1492TIP3    H151096   2.810   2.800   1.420
 1492TIP3    H251097   2.877   2.884   1.313
 1493TIP3   OH251098   1.454   2.421   3.142
 1493TIP3    H151099   1.466   2.331   3.107
 1493TIP3    H251100   1.379   2.452   3.087
 1493TIP3   OH251101   1.877   2.465   1.342
 1493TIP3    H151102   1.891   2.405   1.417
 1493TIP3    H251103   1.963   2.458   1.297
 1493TIP3   OH251104   2.111   2.438   3.076
 1493TIP3    H151105   2.092   2.471   2.987
 1493TIP3    H251106   2.124   2.343   3.060
 1493TIP3   OH251107   2.401   2.597   1.303
 1493TIP3    H151108   2.396   2.592   1.400
 1493TIP3    H251109   2.396   2.501   1.281
 1493TIP3   OH251110   2.661   2.398   2.815
 1493TIP3    H151111   2.726   2.464   2.791
 1493TIP3    H251112   2.578   2.450   2.817
 1493TIP3   OH251113   1.541   2.135   3.057
 1493TIP3    H151114   1.615   2.072   3.056
 1493TIP3    H251115   1.536   2.155   3.152
 1493TIP3   OH251116   1.985   2.273   1.576
 1493TIP3    H151117   1.924   2.222   1.631
 1493TIP3    H251118   2.015   2.204   1.512
 1493TIP3   OH251119   1.906   2.042   2.791
 1493TIP3    H151120   1.857   2.118   2.826
 1493TIP3    H251121   1.972   2.092   2.738
 1493TIP3   OH251122   2.081   2.075   1.402
 1493TIP3    H151123   2.075   2.078   1.305
 1493TIP3    H251124   2.177   2.069   1.416
 1493TIP3   OH251125   2.441   2.319   3.169
 1493TIP3    H151126   2.524   2.297   3.124
 1493TIP3    H251127   2.411   2.231   3.198
 1494TIP3   OH251128   3.033   2.326   1.334
 1494TIP3    H151129   3.021   2.283   1.248
 1494TIP3    H251130   3.021   2.420   1.309
 1494TIP3   OH251131   1.967   1.777   2.915
 1494TIP3    H151132   1.972   1.710   2.844
 1494TIP3    H251133   1.947   1.858   2.865
 1494TIP3   OH251134   2.001   1.620   2.658
 1494TIP3    H151135   2.051   1.678   2.597
 1494TIP3    H251136   1.909   1.626   2.625
 1494TIP3   OH251137   2.614   1.961   3.178
 1494TIP3    H151138   2.632   1.868   3.198
 1494TIP3    H251139   2.703   1.998   3.174
 1494TIP3   OH251140   2.712   2.241   3.030
 1494TIP3    H151141   2.674   2.299   2.960
 1494TIP3    H251142   2.799   2.224   2.989
 1494TIP3   OH251143   1.786   1.963   3.094
 1494TIP3    H151144   1.735   1.880   3.093
 1494TIP3    H251145   1.869   1.936   3.051
 1494TIP3   OH251146   2.079   1.353   2.686
 1494TIP3    H151147   2.059   1.448   2.673
 1494TIP3    H251148   2.003   1.313   2.638
 1494TIP3   OH251149   2.200   1.813   3.073
 1494TIP3    H151150   2.165   1.792   3.161
 1494TIP3    H251151   2.120   1.796   3.020
 1494TIP3   OH251152   2.451   1.716   2.958
 1494TIP3    H151153   2.364   1.727   2.999
 1494TIP3    H251154   2.496   1.658   3.022
 1494TIP3   OH251155   2.640   1.566   3.137
 1494TIP3    H151156   2.618   1.472   3.154
 1494TIP3    H251157   2.618   1.610   3.221
 1495TIP3   OH251158   1.655   1.708   3.078
 1495TIP3    H151159   1.645   1.638   3.012
 1495TIP3    H251160   1.632   1.661   3.161
 1495TIP3   OH251161   2.055   1.308   2.976
 1495TIP3    H151162   2.112   1.229   2.984
 1495TIP3    H251163   2.053   1.322   2.880
 1495TIP3   OH251164   2.152   1.494   3.158
 1495TIP3    H151165   2.116   1.434   3.090
 1495TIP3    H251166   2.082   1.561   3.165
 1495TIP3   OH251167   2.057   3.197   1.512
 1495TIP3    H151168   2.153   3.208   1.522
 1495TIP3    H251169   2.043   3.242   1.427
 1495TIP3   OH251170   1.448   2.638   1.463
 1495TIP3    H151171   1.544   2.655   1.478
 1495TIP3    H251172   1.450   2.558   1.407
 1495TIP3   OH251173   1.346   3.157   1.939
 1495TIP3    H151174   1.276   3.118   1.884
 1495TIP3    H251175   1.358   3.087   2.007
 1495TIP3   OH251176   1.385   2.959   2.137
 1495TIP3    H151177   1.358   2.871   2.168
 1495TIP3    H251178   1.423   2.992   2.220
 1495TIP3   OH251179   3.144   3.082   2.436
 1495TIP3    H151180   3.159   3.084   2.531
 1495TIP3    H251181   3.227   3.118   2.402
 1495TIP3   OH251182   3.130   3.029   2.731
 1495TIP3    H151183   3.080   2.958   2.686
 1495TIP3    H251184   3.188   2.975   2.787
 1495TIP3   OH251185   2.932   2.582   3.150
 1495TIP3    H151186   2.847   2.576   3.196
 1495TIP3    H251187   2.980   2.652   3.198
 1496TIP3   OH251188   3.071   2.463   1.727
 1496TIP3    H151189   3.162   2.494   1.745
 1496TIP3    H251190   3.061   2.398   1.800
 1496TIP3   OH251191   3.117   2.258   1.924
 1496TIP3    H151192   3.049   2.202   1.967
 1496TIP3    H251193   3.184   2.270   1.994
 1496TIP3   OH251194   3.092   2.509   2.425
 1496TIP3    H151195   3.151   2.459   2.366
 1496TIP3    H251196   3.099   2.599   2.389
 1496TIP3   OH251197   2.961   2.801   2.646
 1496TIP3    H151198   2.885   2.839   2.694
 1496TIP3    H251199   2.917   2.764   2.567
 1496TIP3   OH251200   3.144   2.203   1.583
 1496TIP3    H151201   3.091   2.230   1.505
 1496TIP3    H251202   3.129   2.278   1.643
 1496TIP3   OH251203   2.973   1.958   1.410
 1496TIP3    H151204   2.995   2.018   1.337
 1496TIP3    H251205   2.945   1.877   1.362
 1496TIP3   OH251206   2.912   2.071   2.007
 1496TIP3    H151207   2.902   1.976   1.990
 1496TIP3    H251208   2.872   2.081   2.096
 1496TIP3   OH251209   1.395   2.294   2.378
 1496TIP3    H151210   1.421   2.299   2.285
 1496TIP3    H251211   1.482   2.272   2.419
 1496TIP3   OH251212   2.972   2.265   2.922
 1496TIP3    H151213   3.045   2.202   2.938
 1496TIP3    H251214   3.019   2.347   2.901
 1496TIP3   OH251215   3.127   2.075   3.044
 1496TIP3    H151216   3.047   2.022   3.020
 1496TIP3    H251217   3.197   2.007   3.039
 1497TIP3   OH251218   2.917   1.693   1.329
 1497TIP3    H151219   2.971   1.641   1.391
 1497TIP3    H251220   2.835   1.642   1.320
 1497TIP3   OH251221   2.898   1.821   1.826
 1497TIP3    H151222   2.922   1.725   1.829
 1497TIP3    H251223   2.977   1.858   1.784
 1497TIP3   OH251224   2.920   1.878   2.368
 1497TIP3    H151225   3.017   1.893   2.366
 1497TIP3    H251226   2.903   1.887   2.463
 1497TIP3   OH251227   2.935   1.952   2.649
 1497TIP3    H151228   2.849   1.989   2.676
 1497TIP3    H251229   2.986   2.032   2.630
 1497TIP3   OH251230   1.387   1.828   3.019
 1497TIP3    H151231   1.480   1.802   3.020
 1497TIP3    H251232   1.342   1.742   3.023
 1497TIP3   OH251233   3.198   1.369   3.181
 1497TIP3    H151234   3.233   1.298   3.123
 1497TIP3    H251235   3.195   1.445   3.120
 1497TIP3   OH251236   2.946   1.541   1.822
 1497TIP3    H151237   2.951   1.511   1.914
 1497TIP3    H251238   2.865   1.493   1.791
 1497TIP3   OH251239   1.463   1.661   2.298
 1497TIP3    H151240   1.509   1.576   2.304
 1497TIP3    H251241   1.532   1.721   2.333
 1497TIP3   OH251242   1.317   1.929   2.402
 1497TIP3    H151243   1.375   1.923   2.324
 1497TIP3    H251244   1.356   2.005   2.447
 1497TIP3   OH251245   3.130   1.569   3.002
 1497TIP3    H151246   3.043   1.613   3.011
 1497TIP3    H251247   3.115   1.518   2.921
 1498TIP3   OH251248   3.141   1.587   1.492
 1498TIP3    H151249   3.172   1.510   1.441
 1498TIP3    H251250   3.221   1.643   1.495
 1498TIP3   OH251251   1.367   1.569   1.816
 1498TIP3    H151252   1.273   1.565   1.790
 1498TIP3    H251253   1.409   1.619   1.744
 1498TIP3   OH251254   2.830   3.093   2.017
 1498TIP3    H151255   2.876   3.065   1.936
 1498TIP3    H251256   2.903   3.124   2.072
 1498TIP3   OH251257   1.372   1.452   2.623
 1498TIP3    H151258   1.300   1.424   2.682
 1498TIP3    H251259   1.321   1.503   2.556
 1498TIP3   OH251260   1.571   2.760   3.087
 1498TIP3    H151261   1.498   2.756   3.023
 1498TIP3    H251262   1.524   2.754   3.171
 1498TIP3   OH251263   1.853   2.848   2.658
 1498TIP3    H151264   1.821   2.932   2.622
 1498TIP3    H251265   1.948   2.856   2.637
 1498TIP3   OH251266   2.299   2.999   2.964
 1498TIP3    H151267   2.318   2.968   3.053
 1498TIP3    H251268   2.387   3.028   2.932
 1498TIP3   OH251269   2.536   3.136   2.881
 1498TIP3    H151270   2.596   3.069   2.845
 1498TIP3    H251271   2.575   3.152   2.967
 1498TIP3   OH251272   3.009   1.393   2.796
 1498TIP3    H151273   2.934   1.423   2.742
 1498TIP3    H251274   3.029   1.304   2.760
 1498TIP3   OH251275   1.592   3.156   2.691
 1498TIP3    H151276   1.532   3.218   2.646
 1498TIP3    H251277   1.556   3.157   2.780
 1499TIP3   OH251278   1.843   3.129   2.548
 1499TIP3    H151279   1.757   3.145   2.591
 1499TIP3    H251280   1.844   3.198   2.478
 1499TIP3   OH251281   2.317   3.132   2.501
 1499TIP3    H151282   2.277   3.174   2.423
 1499TIP3    H251283   2.322   3.207   2.563
 1499TIP3   OH251284   2.550   3.008   2.599
 1499TIP3    H151285   2.465   3.036   2.560
 1499TIP3    H251286   2.604   3.087   2.586
 1499TIP3   OH251287   2.807   3.176   2.614
 1499TIP3    H151288   2.802   3.271   2.590
 1499TIP3    H251289   2.830   3.138   2.527
 1499TIP3   OH251290   1.550   3.034   2.385
 1499TIP3    H151291   1.547   2.984   2.470
 1499TIP3    H251292   1.625   2.989   2.341
 1499TIP3   OH251293   1.751   2.907   2.231
 1499TIP3    H151294   1.736   2.814   2.257
 1499TIP3    H251295   1.843   2.921   2.261
 1499TIP3   OH251296   2.030   2.956   2.317
 1499TIP3    H151297   2.045   2.861   2.296
 1499TIP3    H251298   2.034   2.951   2.414
 1499TIP3   OH251299   2.366   1.544   2.254
 1499TIP3    H151300   2.295   1.480   2.271
 1499TIP3    H251301   2.413   1.503   2.181
 1499TIP3   OH251302   2.856   1.341   2.292
 1499TIP3    H151303   2.931   1.391   2.254
 1499TIP3    H251304   2.781   1.376   2.240
 1499TIP3   OH251305   3.065   1.454   2.083
 1499TIP3    H151306   3.135   1.417   2.027
 1499TIP3    H251307   3.093   1.547   2.092
 1500TIP3   OH251308   1.594   1.396   2.001
 1500TIP3    H151309   1.508   1.391   1.954
 1500TIP3    H251310   1.630   1.307   1.982
 1500TIP3   OH251311   1.480   1.350   1.598
 1500TIP3    H151312   1.513   1.417   1.538
 1500TIP3    H251313   1.427   1.400   1.661
 1500TIP3   OH251314   2.045   1.395   1.993
 1500TIP3    H151315   2.137   1.426   1.985
 1500TIP3    H251316   2.036   1.384   2.089
 1500TIP3   OH251317   2.611   1.399   2.134
 1500TIP3    H151318   2.624   1.395   2.038
 1500TIP3    H251319   2.559   1.318   2.150
 1500TIP3   OH251320   2.713   1.402   1.733
 1500TIP3    H151321   2.632   1.455   1.719
 1500TIP3    H251322   2.676   1.313   1.742
 1500TIP3   OH251323   1.494   2.961   1.708
 1500TIP3    H151324   1.431   2.948   1.636
 1500TIP3    H251325   1.493   3.057   1.715
 1500TIP3   OH251326   1.650   1.561   1.426
 1500TIP3    H151327   1.696   1.484   1.391
 1500TIP3    H251328   1.705   1.582   1.503
 1500TIP3   OH251329   2.159   1.563   1.695
 1500TIP3    H151330   2.188   1.506   1.768
 1500TIP3    H251331   2.175   1.650   1.732
 1500TIP3   OH251332   2.362   3.144   1.519
 1500TIP3    H151333   2.459   3.144   1.515
 1500TIP3    H251334   2.342   3.078   1.452
 1500TIP3   OH251335   3.013   3.046   1.778
 1500TIP3    H151336   2.989   2.961   1.735
 1500TIP3    H251337   3.007   3.107   1.703
 1501TIP3   OH251338   1.575   1.440   2.958
 1501TIP3    H151339   1.535   1.358   2.992
 1501TIP3    H251340   1.667   1.426   2.984
 1501TIP3   OH251341   1.813   1.378   3.129
 1501TIP3    H151342   1.895   1.341   3.090
 1501TIP3    H251343   1.778   1.299   3.175
 1501TIP3   OH251344   1.639   3.057   1.387
 1501TIP3    H151345   1.615   3.082   1.477
 1501TIP3    H251346   1.714   2.998   1.402
 1501TIP3   OH251347   2.624   1.283   3.137
 1501TIP3    H151348   2.621   1.246   3.228
 1501TIP3    H251349   2.720   1.288   3.122
 1501TIP3   OH251350   2.948   2.967   3.032
 1501TIP3    H151351   2.893   2.917   2.969
 1501TIP3    H251352   2.953   3.051   2.985
 1501TIP3   OH251353   4.214   2.194   2.340
 1501TIP3    H151354   4.291   2.224   2.392
 1501TIP3    H251355   4.248   2.200   2.250
 1501TIP3   OH251356   3.515   2.193   2.503
 1501TIP3    H151357   3.513   2.119   2.567
 1501TIP3    H251358   3.586   2.247   2.540
 1501TIP3   OH251359   3.588   2.655   2.369
 1501TIP3    H151360   3.566   2.563   2.344
 1501TIP3    H251361   3.681   2.644   2.391
 1501TIP3   OH251362   3.280   1.997   1.892
 1501TIP3    H151363   3.240   2.085   1.901
 1501TIP3    H251364   3.208   1.947   1.851
 1501TIP3   OH251365   3.361   2.243   2.079
 1501TIP3    H151366   3.375   2.159   2.127
 1501TIP3    H251367   3.445   2.253   2.031
 1502TIP3   OH251368   4.121   2.489   2.395
 1502TIP3    H151369   4.155   2.413   2.346
 1502TIP3    H251370   4.195   2.511   2.453
 1502TIP3   OH251371   3.747   1.719   2.154
 1502TIP3    H151372   3.757   1.806   2.111
 1502TIP3    H251373   3.708   1.668   2.079
 1502TIP3   OH251374   3.411   1.993   2.203
 1502TIP3    H151375   3.474   1.946   2.260
 1502TIP3    H251376   3.420   1.944   2.119
 1502TIP3   OH251377   3.950   2.129   2.149
 1502TIP3    H151378   4.028   2.081   2.182
 1502TIP3    H251379   3.902   2.059   2.102
 1502TIP3   OH251380   3.627   1.591   2.566
 1502TIP3    H151381   3.591   1.642   2.491
 1502TIP3    H251382   3.559   1.608   2.635
 1502TIP3   OH251383   3.913   2.379   2.577
 1502TIP3    H151384   3.845   2.439   2.615
 1502TIP3    H251385   3.982   2.443   2.553
 1502TIP3   OH251386   3.583   1.803   2.362
 1502TIP3    H151387   3.647   1.862   2.409
 1502TIP3    H251388   3.641   1.767   2.292
 1502TIP3   OH251389   3.717   2.574   2.659
 1502TIP3    H151390   3.734   2.668   2.644
 1502TIP3    H251391   3.635   2.578   2.711
 1502TIP3   OH251392   3.348   2.545   1.741
 1502TIP3    H151393   3.327   2.594   1.660
 1502TIP3    H251394   3.363   2.616   1.808
 1502TIP3   OH251395   4.268   2.240   1.738
 1502TIP3    H151396   4.200   2.308   1.724
 1502TIP3    H251397   4.329   2.258   1.667
 1503TIP3   OH251398   4.289   2.078   1.461
 1503TIP3    H151399   4.361   2.069   1.526
 1503TIP3    H251400   4.294   1.995   1.412
 1503TIP3   OH251401   3.757   2.317   2.042
 1503TIP3    H151402   3.728   2.274   1.960
 1503TIP3    H251403   3.824   2.254   2.075
 1503TIP3   OH251404   3.898   2.660   2.314
 1503TIP3    H151405   3.891   2.614   2.230
 1503TIP3    H251406   3.973   2.614   2.355
 1503TIP3   OH251407   3.814   2.195   2.387
 1503TIP3    H151408   3.874   2.197   2.309
 1503TIP3    H251409   3.851   2.266   2.443
 1503TIP3   OH251410   3.593   2.267   2.786
 1503TIP3    H151411   3.603   2.331   2.859
 1503TIP3    H251412   3.497   2.259   2.779
 1503TIP3   OH251413   4.253   2.842   1.959
 1503TIP3    H151414   4.299   2.891   2.029
 1503TIP3    H251415   4.200   2.912   1.917
 1503TIP3   OH251416   3.711   2.860   2.960
 1503TIP3    H151417   3.734   2.825   2.872
 1503TIP3    H251418   3.635   2.806   2.985
 1503TIP3   OH251419   3.650   2.192   1.794
 1503TIP3    H151420   3.631   2.269   1.739
 1503TIP3    H251421   3.582   2.129   1.766
 1503TIP3   OH251422   3.256   2.460   2.666
 1503TIP3    H151423   3.209   2.460   2.580
 1503TIP3    H251424   3.268   2.365   2.683
 1503TIP3   OH251425   3.265   2.760   2.358
 1503TIP3    H151426   3.354   2.723   2.368
 1503TIP3    H251427   3.255   2.812   2.439
 1504TIP3   OH251428   4.181   3.121   1.813
 1504TIP3    H151429   4.204   3.120   1.719
 1504TIP3    H251430   4.210   3.208   1.843
 1504TIP3   OH251431   3.573   3.035   1.979
 1504TIP3    H151432   3.587   2.986   2.062
 1504TIP3    H251433   3.492   2.994   1.945
 1504TIP3   OH251434   3.466   2.622   2.799
 1504TIP3    H151435   3.503   2.567   2.871
 1504TIP3    H251436   3.403   2.561   2.755
 1504TIP3   OH251437   3.825   1.452   2.350
 1504TIP3    H151438   3.739   1.444   2.307
 1504TIP3    H251439   3.812   1.532   2.403
 1504TIP3   OH251440   4.234   1.393   2.792
 1504TIP3    H151441   4.243   1.324   2.859
 1504TIP3    H251442   4.142   1.379   2.763
 1504TIP3   OH251443   4.227   1.679   1.459
 1504TIP3    H151444   4.171   1.663   1.535
 1504TIP3    H251445   4.197   1.609   1.399
 1504TIP3   OH251446   3.780   1.941   2.509
 1504TIP3    H151447   3.720   1.954   2.584
 1504TIP3    H251448   3.788   2.032   2.472
 1504TIP3   OH251449   3.774   1.946   1.998
 1504TIP3    H151450   3.678   1.940   1.982
 1504TIP3    H251451   3.808   1.933   1.908
 1504TIP3   OH251452   4.248   2.033   1.911
 1504TIP3    H151453   4.239   2.121   1.868
 1504TIP3    H251454   4.343   2.020   1.891
 1504TIP3   OH251455   4.258   2.029   3.030
 1504TIP3    H151456   4.197   1.953   3.042
 1504TIP3    H251457   4.343   1.983   3.027
 1505TIP3   OH251458   3.516   1.958   2.693
 1505TIP3    H151459   3.542   1.990   2.780
 1505TIP3    H251460   3.482   1.869   2.713
 1505TIP3   OH251461   3.863   1.719   1.351
 1505TIP3    H151462   3.820   1.682   1.430
 1505TIP3    H251463   3.788   1.737   1.293
 1505TIP3   OH251464   3.200   1.705   2.057
 1505TIP3    H151465   3.261   1.701   2.133
 1505TIP3    H251466   3.250   1.667   1.984
 1505TIP3   OH251467   3.361   1.749   1.629
 1505TIP3    H151468   3.413   1.798   1.562
 1505TIP3    H251469   3.289   1.813   1.646
 1505TIP3   OH251470   4.353   2.069   2.629
 1505TIP3    H151471   4.370   2.013   2.551
 1505TIP3    H251472   4.271   2.030   2.663
 1505TIP3   OH251473   4.045   1.673   2.120
 1505TIP3    H151474   3.952   1.698   2.128
 1505TIP3    H251475   4.086   1.737   2.182
 1505TIP3   OH251476   3.507   1.831   1.968
 1505TIP3    H151477   3.426   1.860   1.922
 1505TIP3    H251478   3.534   1.752   1.918
 1505TIP3   OH251479   3.875   1.860   1.731
 1505TIP3    H151480   3.969   1.883   1.738
 1505TIP3    H251481   3.841   1.921   1.663
 1505TIP3   OH251482   3.724   1.985   1.513
 1505TIP3    H151483   3.661   1.963   1.443
 1505TIP3    H251484   3.803   2.004   1.462
 1505TIP3   OH251485   3.579   2.465   3.009
 1505TIP3    H151486   3.650   2.471   3.076
 1505TIP3    H251487   3.501   2.458   3.068
 1506TIP3   OH251488   4.142   1.898   2.244
 1506TIP3    H151489   4.232   1.901   2.209
 1506TIP3    H251490   4.160   1.917   2.338
 1506TIP3   OH251491   3.687   1.602   1.905
 1506TIP3    H151492   3.625   1.527   1.913
 1506TIP3    H251493   3.756   1.567   1.847
 1506TIP3   OH251494   4.049   1.795   2.515
 1506TIP3    H151495   3.981   1.862   2.496
 1506TIP3    H251496   4.099   1.837   2.588
 1506TIP3   OH251497   4.072   2.433   1.700
 1506TIP3    H151498   3.994   2.387   1.664
 1506TIP3    H251499   4.049   2.443   1.795
 1506TIP3   OH251500   3.579   2.388   2.280
 1506TIP3    H151501   3.635   2.378   2.200
 1506TIP3    H251502   3.589   2.301   2.322
 1506TIP3   OH251503   4.287   2.575   1.597
 1506TIP3    H151504   4.260   2.664   1.627
 1506TIP3    H251505   4.211   2.522   1.629
 1506TIP3   OH251506   3.303   2.215   2.806
 1506TIP3    H151507   3.320   2.169   2.891
 1506TIP3    H251508   3.243   2.154   2.760
 1506TIP3   OH251509   4.001   2.152   3.011
 1506TIP3    H151510   3.968   2.135   2.921
 1506TIP3    H251511   4.097   2.145   2.997
 1506TIP3   OH251512   3.814   2.714   2.003
 1506TIP3    H151513   3.858   2.800   1.992
 1506TIP3    H251514   3.723   2.735   1.979
 1506TIP3   OH251515   3.416   2.194   1.466
 1506TIP3    H151516   3.473   2.263   1.505
 1506TIP3    H251517   3.328   2.221   1.498
 1507TIP3   OH251518   3.994   2.483   1.962
 1507TIP3    H151519   3.969   2.575   1.981
 1507TIP3    H251520   3.925   2.434   2.009
 1507TIP3   OH251521   4.016   2.916   2.608
 1507TIP3    H151522   4.090   2.974   2.582
 1507TIP3    H251523   4.061   2.849   2.664
 1507TIP3   OH251524   3.859   3.005   1.928
 1507TIP3    H151525   3.764   3.021   1.934
 1507TIP3    H251526   3.896   3.093   1.948
 1507TIP3   OH251527   3.438   1.677   2.764
 1507TIP3    H151528   3.347   1.704   2.740
 1507TIP3    H251529   3.422   1.591   2.807
 1507TIP3   OH251530   3.410   2.859   2.606
 1507TIP3    H151531   3.442   2.768   2.608
 1507TIP3    H251532   3.443   2.889   2.691
 1507TIP3   OH251533   3.994   2.724   1.309
 1507TIP3    H151534   4.028   2.648   1.258
 1507TIP3    H251535   3.957   2.679   1.387
 1507TIP3   OH251536   3.886   2.667   1.584
 1507TIP3    H151537   3.934   2.616   1.651
 1507TIP3    H251538   3.899   2.759   1.614
 1507TIP3   OH251539   3.566   2.415   1.620
 1507TIP3    H151540   3.493   2.454   1.672
 1507TIP3    H251541   3.613   2.496   1.591
 1507TIP3   OH251542   4.334   1.707   2.671
 1507TIP3    H151543   4.404   1.642   2.679
 1507TIP3    H251544   4.267   1.659   2.621
 1507TIP3   OH251545   4.169   2.834   1.636
 1507TIP3    H151546   4.089   2.884   1.657
 1507TIP3    H251547   4.209   2.889   1.567
 1508TIP3   OH251548   4.147   1.793   1.842
 1508TIP3    H151549   4.194   1.878   1.856
 1508TIP3    H251550   4.112   1.782   1.932
 1508TIP3   OH251551   4.163   1.895   2.760
 1508TIP3    H151552   4.180   1.947   2.839
 1508TIP3    H251553   4.234   1.828   2.762
 1508TIP3   OH251554   4.189   1.500   1.960
 1508TIP3    H151555   4.169   1.582   2.011
 1508TIP3    H251556   4.273   1.526   1.917
 1508TIP3   OH251557   3.894   2.940   1.641
 1508TIP3    H151558   3.890   3.021   1.587
 1508TIP3    H251559   3.882   2.975   1.732
 1508TIP3   OH251560   3.768   1.607   1.590
 1508TIP3    H151561   3.772   1.688   1.645
 1508TIP3    H251562   3.853   1.565   1.611
 1508TIP3   OH251563   3.611   2.696   1.497
 1508TIP3    H151564   3.684   2.746   1.536
 1508TIP3    H251565   3.660   2.646   1.429
 1508TIP3   OH251566   3.424   1.915   1.410
 1508TIP3    H151567   3.434   2.010   1.431
 1508TIP3    H251568   3.339   1.914   1.364
 1508TIP3   OH251569   3.531   1.416   2.286
 1508TIP3    H151570   3.506   1.419   2.191
 1508TIP3    H251571   3.487   1.335   2.317
 1508TIP3   OH251572   3.407   2.769   1.915
 1508TIP3    H151573   3.327   2.819   1.938
 1508TIP3    H251574   3.442   2.821   1.841
 1508TIP3   OH251575   3.343   3.060   3.031
 1508TIP3    H151576   3.407   3.027   3.097
 1508TIP3    H251577   3.308   2.975   2.996
 1509TIP3   OH251578   3.833   2.982   3.198
 1509TIP3    H151579   3.884   2.904   3.227
 1509TIP3    H251580   3.798   2.946   3.114
 1509TIP3   OH251581   4.230   2.888   1.341
 1509TIP3    H151582   4.147   2.837   1.341
 1509TIP3    H251583   4.293   2.815   1.326
 1509TIP3   OH251584   3.339   2.424   3.142
 1509TIP3    H151585   3.351   2.332   3.110
 1509TIP3    H251586   3.264   2.452   3.086
 1509TIP3   OH251587   3.763   2.465   1.342
 1509TIP3    H151588   3.779   2.405   1.417
 1509TIP3    H251589   3.848   2.461   1.295
 1509TIP3   OH251590   3.981   2.444   3.071
 1509TIP3    H151591   4.008   2.485   2.987
 1509TIP3    H251592   4.012   2.352   3.059
 1509TIP3   OH251593   4.262   2.596   1.298
 1509TIP3    H151594   4.276   2.606   1.393
 1509TIP3    H251595   4.243   2.501   1.291
 1509TIP3   OH251596   3.427   2.136   3.058
 1509TIP3    H151597   3.500   2.072   3.058
 1509TIP3    H251598   3.422   2.156   3.153
 1509TIP3   OH251599   3.871   2.270   1.574
 1509TIP3    H151600   3.808   2.220   1.628
 1509TIP3    H251601   3.902   2.201   1.512
 1509TIP3   OH251602   3.795   2.051   2.802
 1509TIP3    H151603   3.739   2.128   2.822
 1509TIP3    H251604   3.850   2.086   2.731
 1509TIP3   OH251605   3.979   2.071   1.404
 1509TIP3    H151606   3.969   2.078   1.307
 1509TIP3    H251607   4.075   2.085   1.414
 1510TIP3   OH251608   4.275   2.298   3.176
 1510TIP3    H151609   4.350   2.279   3.119
 1510TIP3    H251610   4.268   2.215   3.226
 1510TIP3   OH251611   3.858   1.780   2.917
 1510TIP3    H151612   3.862   1.714   2.845
 1510TIP3    H251613   3.838   1.862   2.868
 1510TIP3   OH251614   3.887   1.621   2.657
 1510TIP3    H151615   3.936   1.683   2.599
 1510TIP3    H251616   3.795   1.625   2.622
 1510TIP3   OH251617   4.073   2.171   2.694
 1510TIP3    H151618   4.134   2.167   2.619
 1510TIP3    H251619   4.025   2.253   2.675
 1510TIP3   OH251620   3.674   1.961   3.097
 1510TIP3    H151621   3.620   1.880   3.094
 1510TIP3    H251622   3.754   1.933   3.049
 1510TIP3   OH251623   3.973   1.361   2.693
 1510TIP3    H151624   3.948   1.455   2.678
 1510TIP3    H251625   3.904   1.316   2.641
 1510TIP3   OH251626   4.106   1.805   3.071
 1510TIP3    H151627   4.064   1.783   3.156
 1510TIP3    H251628   4.032   1.786   3.010
 1510TIP3   OH251629   3.539   1.708   3.076
 1510TIP3    H151630   3.530   1.637   3.011
 1510TIP3    H251631   3.518   1.661   3.160
 1510TIP3   OH251632   3.944   1.308   2.979
 1510TIP3    H151633   4.004   1.232   2.983
 1510TIP3    H251634   3.941   1.324   2.883
 1510TIP3   OH251635   4.036   1.488   3.172
 1510TIP3    H151636   4.005   1.433   3.097
 1510TIP3    H251637   3.973   1.562   3.170
 1511TIP3   OH251638   3.956   3.194   1.513
 1511TIP3    H151639   4.052   3.202   1.520
 1511TIP3    H251640   3.940   3.243   1.431
 1511TIP3   OH251641   3.334   2.637   1.465
 1511TIP3    H151642   3.430   2.655   1.478
 1511TIP3    H251643   3.336   2.558   1.407
 1511TIP3   OH251644   3.233   3.157   1.938
 1511TIP3    H151645   3.162   3.119   1.882
 1511TIP3    H251646   3.244   3.088   2.006
 1511TIP3   OH251647   3.272   2.959   2.135
 1511TIP3    H151648   3.244   2.871   2.167
 1511TIP3    H251649   3.302   2.997   2.219
 1511TIP3   OH251650   3.280   2.292   2.376
 1511TIP3    H151651   3.306   2.298   2.283
 1511TIP3    H251652   3.367   2.271   2.417
 1511TIP3   OH251653   3.273   1.828   3.014
 1511TIP3    H151654   3.366   1.801   3.022
 1511TIP3    H251655   3.227   1.742   3.024
 1511TIP3   OH251656   3.351   1.658   2.296
 1511TIP3    H151657   3.399   1.575   2.307
 1511TIP3    H251658   3.415   1.722   2.332
 1511TIP3   OH251659   3.205   1.927   2.403
 1511TIP3    H151660   3.260   1.928   2.323
 1511TIP3    H251661   3.238   2.005   2.449
 1511TIP3   OH251662   3.252   1.563   1.808
 1511TIP3    H151663   3.157   1.567   1.788
 1511TIP3    H251664   3.292   1.623   1.742
 1511TIP3   OH251665   3.255   1.448   2.621
 1511TIP3    H151666   3.185   1.425   2.683
 1511TIP3    H251667   3.207   1.505   2.559
 1512TIP3   OH251668   3.452   2.777   3.093
 1512TIP3    H151669   3.391   2.754   3.022
 1512TIP3    H251670   3.406   2.745   3.172
 1512TIP3   OH251671   3.736   2.870   2.648
 1512TIP3    H151672   3.716   2.960   2.623
 1512TIP3    H251673   3.834   2.870   2.641
 1512TIP3   OH251674   4.195   3.034   2.949
 1512TIP3    H151675   4.173   2.947   2.984
 1512TIP3    H251676   4.288   3.021   2.927
 1512TIP3   OH251677   3.486   3.170   2.688
 1512TIP3    H151678   3.413   3.217   2.644
 1512TIP3    H251679   3.445   3.150   2.773
 1512TIP3   OH251680   3.737   3.200   2.530
 1512TIP3    H151681   3.661   3.164   2.580
 1512TIP3    H251682   3.697   3.212   2.443
 1512TIP3   OH251683   4.189   3.122   2.502
 1512TIP3    H151684   4.180   3.171   2.419
 1512TIP3    H251685   4.266   3.164   2.542
 1512TIP3   OH251686   3.448   3.046   2.390
 1512TIP3    H151687   3.436   2.989   2.469
 1512TIP3    H251688   3.510   2.992   2.338
 1512TIP3   OH251689   3.635   2.906   2.237
 1512TIP3    H151690   3.622   2.812   2.261
 1512TIP3    H251691   3.728   2.918   2.263
 1512TIP3   OH251692   3.910   2.959   2.325
 1512TIP3    H151693   3.934   2.870   2.293
 1512TIP3    H251694   3.932   2.949   2.419
 1512TIP3   OH251695   4.250   1.463   2.264
 1512TIP3    H151696   4.165   1.507   2.258
 1512TIP3    H251697   4.297   1.504   2.190
 1513TIP3   OH251698   3.481   1.416   2.005
 1513TIP3    H151699   3.395   1.405   1.960
 1513TIP3    H251700   3.521   1.328   1.990
 1513TIP3   OH251701   3.367   1.363   1.595
 1513TIP3    H151702   3.413   1.430   1.540
 1513TIP3    H251703   3.319   1.418   1.658
 1513TIP3   OH251704   3.942   1.381   2.012
 1513TIP3    H151705   4.019   1.439   1.997
 1513TIP3    H251706   3.910   1.411   2.098
 1513TIP3   OH251707   3.381   2.961   1.709
 1513TIP3    H151708   3.317   2.947   1.637
 1513TIP3    H251709   3.378   3.057   1.716
 1513TIP3   OH251710   3.532   1.545   1.435
 1513TIP3    H151711   3.593   1.492   1.382
 1513TIP3    H251712   3.592   1.580   1.504
 1513TIP3   OH251713   4.061   1.565   1.694
 1513TIP3    H151714   4.069   1.510   1.773
 1513TIP3    H251715   4.060   1.654   1.733
 1513TIP3   OH251716   4.265   3.123   1.518
 1513TIP3    H151717   4.351   3.162   1.498
 1513TIP3    H251718   4.248   3.066   1.441
 1513TIP3   OH251719   3.461   1.439   2.955
 1513TIP3    H151720   3.420   1.359   2.992
 1513TIP3    H251721   3.553   1.427   2.984
 1513TIP3   OH251722   3.699   1.377   3.130
 1513TIP3    H151723   3.781   1.341   3.092
 1513TIP3    H251724   3.662   1.298   3.173
 1513TIP3   OH251725   3.523   3.055   1.387
 1513TIP3    H151726   3.500   3.083   1.477
 1513TIP3    H251727   3.600   2.998   1.402
 1514TIP3   OH251728  -3.159   4.202   2.012
 1514TIP3    H151729  -3.187   4.295   2.013
 1514TIP3    H251730  -3.233   4.162   1.965
 1514TIP3   OH251731  -3.280   4.133   2.340
 1514TIP3    H151732  -3.275   4.080   2.421
 1514TIP3    H251733  -3.304   4.068   2.273
 1514TIP3   OH251734  -4.021   4.075   2.497
 1514TIP3    H151735  -4.034   4.008   2.566
 1514TIP3    H251736  -3.970   4.140   2.546
 1514TIP3   OH251737  -4.212   3.903   1.785
 1514TIP3    H151738  -4.245   3.988   1.817
 1514TIP3    H251739  -4.293   3.854   1.770
 1514TIP3   OH251740  -4.194   4.120   2.052
 1514TIP3    H151741  -4.195   4.057   2.125
 1514TIP3    H251742  -4.100   4.143   2.051
 1514TIP3   OH251743  -2.559   3.521   2.458
 1514TIP3    H151744  -2.536   3.584   2.528
 1514TIP3    H251745  -2.500   3.551   2.387
 1514TIP3   OH251746  -3.095   3.803   2.445
 1514TIP3    H151747  -3.084   3.706   2.449
 1514TIP3    H251748  -3.103   3.817   2.350
 1514TIP3   OH251749  -3.796   3.605   2.151
 1514TIP3    H151750  -3.784   3.692   2.108
 1514TIP3    H251751  -3.836   3.554   2.078
 1514TIP3   OH251752  -3.030   3.597   1.961
 1514TIP3    H151753  -2.966   3.569   2.029
 1514TIP3    H251754  -2.976   3.654   1.904
 1514TIP3   OH251755  -4.145   3.874   2.203
 1514TIP3    H151756  -4.080   3.843   2.269
 1514TIP3    H251757  -4.117   3.822   2.125
 1515TIP3   OH251758  -3.587   4.017   2.148
 1515TIP3    H151759  -3.520   3.959   2.189
 1515TIP3    H251760  -3.645   3.953   2.104
 1515TIP3   OH251761  -2.487   3.659   2.706
 1515TIP3    H151762  -2.544   3.732   2.676
 1515TIP3    H251763  -2.507   3.658   2.801
 1515TIP3   OH251764  -3.919   3.485   2.568
 1515TIP3    H151765  -3.960   3.537   2.497
 1515TIP3    H251766  -3.981   3.503   2.642
 1515TIP3   OH251767  -3.647   4.266   2.546
 1515TIP3    H151768  -3.728   4.317   2.556
 1515TIP3    H251769  -3.582   4.338   2.539
 1515TIP3   OH251770  -2.839   3.544   2.183
 1515TIP3    H151771  -2.881   3.494   2.254
 1515TIP3    H251772  -2.786   3.609   2.233
 1515TIP3   OH251773  -3.959   3.689   2.362
 1515TIP3    H151774  -3.897   3.748   2.410
 1515TIP3    H251775  -3.899   3.654   2.292
 1515TIP3   OH251776  -2.819   3.456   2.570
 1515TIP3    H151777  -2.895   3.501   2.530
 1515TIP3    H251778  -2.746   3.481   2.510
 1515TIP3   OH251779  -3.503   3.233   2.276
 1515TIP3    H151780  -3.530   3.139   2.273
 1515TIP3    H251781  -3.585   3.274   2.313
 1515TIP3   OH251782  -3.308   4.143   1.751
 1515TIP3    H151783  -3.372   4.179   1.688
 1515TIP3    H251784  -3.229   4.135   1.694
 1515TIP3   OH251785  -3.269   3.941   1.471
 1515TIP3    H151786  -3.197   3.980   1.524
 1515TIP3    H251787  -3.216   3.890   1.407
 1516TIP3   OH251788  -2.555   4.055   2.576
 1516TIP3    H151789  -2.620   4.127   2.589
 1516TIP3    H251790  -2.504   4.094   2.502
 1516TIP3   OH251791  -2.937   4.139   1.852
 1516TIP3    H151792  -3.001   4.162   1.922
 1516TIP3    H251793  -2.869   4.090   1.901
 1516TIP3   OH251794  -2.963   3.980   2.744
 1516TIP3    H151795  -2.960   4.056   2.805
 1516TIP3    H251796  -3.018   4.018   2.674
 1516TIP3   OH251797  -3.771   4.217   2.042
 1516TIP3    H151798  -3.799   4.183   1.955
 1516TIP3    H251799  -3.701   4.154   2.067
 1516TIP3   OH251800  -3.729   4.073   2.380
 1516TIP3    H151801  -3.667   4.079   2.305
 1516TIP3    H251802  -3.697   4.144   2.440
 1516TIP3   OH251803  -3.058   4.080   1.614
 1516TIP3    H151804  -2.999   4.102   1.689
 1516TIP3    H251805  -3.007   4.122   1.539
 1516TIP3   OH251806  -3.950   4.150   2.778
 1516TIP3    H151807  -3.949   4.205   2.859
 1516TIP3    H251808  -4.046   4.142   2.766
 1516TIP3   OH251809  -2.725   3.255   1.546
 1516TIP3    H151810  -2.794   3.262   1.613
 1516TIP3    H251811  -2.677   3.338   1.558
 1516TIP3   OH251812  -3.894   4.085   1.794
 1516TIP3    H151813  -3.911   4.164   1.740
 1516TIP3    H251814  -3.964   4.025   1.764
 1516TIP3   OH251815  -4.221   4.264   2.669
 1516TIP3    H151816  -4.257   4.320   2.599
 1516TIP3    H251817  -4.287   4.268   2.739
 1517TIP3   OH251818  -2.763   3.838   2.978
 1517TIP3    H151819  -2.815   3.875   2.906
 1517TIP3    H251820  -2.759   3.744   2.951
 1517TIP3   OH251821  -3.748   3.348   2.365
 1517TIP3    H151822  -3.833   3.340   2.319
 1517TIP3    H251823  -3.768   3.421   2.426
 1517TIP3   OH251824  -3.311   3.303   2.729
 1517TIP3    H151825  -3.260   3.254   2.797
 1517TIP3    H251826  -3.403   3.275   2.746
 1517TIP3   OH251827  -2.994   3.685   2.783
 1517TIP3    H151828  -3.055   3.670   2.859
 1517TIP3    H251829  -3.002   3.781   2.767
 1517TIP3   OH251830  -2.910   4.175   1.410
 1517TIP3    H151831  -2.914   4.159   1.314
 1517TIP3    H251832  -2.822   4.219   1.413
 1517TIP3   OH251833  -3.332   3.544   1.459
 1517TIP3    H151834  -3.398   3.563   1.527
 1517TIP3    H251835  -3.383   3.493   1.395
 1517TIP3   OH251836  -3.762   3.826   2.512
 1517TIP3    H151837  -3.826   3.837   2.585
 1517TIP3    H251838  -3.757   3.917   2.474
 1517TIP3   OH251839  -3.770   3.832   1.997
 1517TIP3    H151840  -3.866   3.831   1.979
 1517TIP3    H251841  -3.735   3.819   1.907
 1517TIP3   OH251842  -3.208   3.897   1.875
 1517TIP3    H151843  -3.251   3.976   1.838
 1517TIP3    H251844  -3.137   3.881   1.810
 1517TIP3   OH251845  -3.286   3.920   3.016
 1517TIP3    H151846  -3.337   3.844   3.050
 1517TIP3    H251847  -3.198   3.905   3.055
 1518TIP3   OH251848  -3.119   3.819   2.146
 1518TIP3    H151849  -3.147   3.878   2.073
 1518TIP3    H251850  -3.103   3.737   2.096
 1518TIP3   OH251851  -4.007   3.834   2.688
 1518TIP3    H151852  -4.029   3.895   2.761
 1518TIP3    H251853  -4.047   3.752   2.721
 1518TIP3   OH251854  -3.685   3.598   1.353
 1518TIP3    H151855  -3.731   3.562   1.431
 1518TIP3    H251856  -3.759   3.623   1.296
 1518TIP3   OH251857  -4.326   3.602   2.060
 1518TIP3    H151858  -4.296   3.584   2.152
 1518TIP3    H251859  -4.279   3.536   2.010
 1518TIP3   OH251860  -4.207   3.642   1.638
 1518TIP3    H151861  -4.148   3.674   1.567
 1518TIP3    H251862  -4.291   3.683   1.612
 1518TIP3   OH251863  -3.225   3.997   2.595
 1518TIP3    H151864  -3.170   3.930   2.548
 1518TIP3    H251865  -3.252   3.947   2.673
 1518TIP3   OH251866  -3.502   3.590   2.089
 1518TIP3    H151867  -3.593   3.594   2.125
 1518TIP3    H251868  -3.449   3.576   2.170
 1518TIP3   OH251869  -4.043   3.719   1.964
 1518TIP3    H151870  -4.113   3.741   1.900
 1518TIP3    H251871  -4.007   3.637   1.927
 1518TIP3   OH251872  -3.664   3.739   1.726
 1518TIP3    H151873  -3.571   3.764   1.742
 1518TIP3    H251874  -3.696   3.807   1.664
 1518TIP3   OH251875  -3.057   3.501   2.397
 1518TIP3    H151876  -3.117   3.505   2.474
 1518TIP3    H251877  -3.121   3.477   2.327
 1519TIP3   OH251878  -3.823   3.872   1.514
 1519TIP3    H151879  -3.883   3.845   1.443
 1519TIP3    H251880  -3.743   3.896   1.464
 1519TIP3   OH251881  -3.963   4.308   2.999
 1519TIP3    H151882  -3.898   4.357   3.054
 1519TIP3    H251883  -4.040   4.306   3.059
 1519TIP3   OH251884  -3.387   3.845   2.277
 1519TIP3    H151885  -3.310   3.803   2.236
 1519TIP3    H251886  -3.401   3.789   2.356
 1519TIP3   OH251887  -3.872   3.483   1.910
 1519TIP3    H151888  -3.922   3.400   1.911
 1519TIP3    H251889  -3.798   3.463   1.853
 1519TIP3   OH251890  -3.491   3.695   2.506
 1519TIP3    H151891  -3.569   3.753   2.507
 1519TIP3    H251892  -3.442   3.723   2.586
 1519TIP3   OH251893  -3.530   4.365   1.728
 1519TIP3    H151894  -3.557   4.302   1.658
 1519TIP3    H251895  -3.463   4.319   1.779
 1519TIP3   OH251896  -2.730   4.266   2.564
 1519TIP3    H151897  -2.705   4.312   2.481
 1519TIP3    H251898  -2.826   4.256   2.545
 1519TIP3   OH251899  -3.078   3.558   1.541
 1519TIP3    H151900  -3.163   3.587   1.502
 1519TIP3    H251901  -3.040   3.644   1.569
 1519TIP3   OH251902  -2.988   3.802   1.684
 1519TIP3    H151903  -2.898   3.789   1.719
 1519TIP3    H251904  -2.977   3.883   1.631
 1519TIP3   OH251905  -3.974   4.214   2.227
 1519TIP3    H151906  -3.886   4.233   2.188
 1519TIP3    H251907  -3.950   4.167   2.309
 1520TIP3   OH251908  -4.207   4.017   2.811
 1520TIP3    H151909  -4.232   4.053   2.898
 1520TIP3    H251910  -4.280   4.050   2.756
 1520TIP3   OH251911  -3.541   4.051   3.007
 1520TIP3    H151912  -3.580   4.026   2.921
 1520TIP3    H251913  -3.447   4.028   2.993
 1520TIP3   OH251914  -2.537   3.800   1.654
 1520TIP3    H151915  -2.591   3.787   1.573
 1520TIP3    H251916  -2.521   3.897   1.642
 1520TIP3   OH251917  -2.989   4.180   2.432
 1520TIP3    H151918  -3.080   4.183   2.398
 1520TIP3    H251919  -2.941   4.135   2.361
 1520TIP3   OH251920  -4.158   4.098   1.477
 1520TIP3    H151921  -4.084   4.149   1.514
 1520TIP3    H251922  -4.230   4.162   1.492
 1520TIP3   OH251923  -4.104   3.565   2.763
 1520TIP3    H151924  -4.185   3.618   2.769
 1520TIP3    H251925  -4.124   3.485   2.815
 1520TIP3   OH251926  -3.959  -4.393   1.638
 1520TIP3    H151927  -4.051  -4.358   1.644
 1520TIP3    H251928  -3.911  -4.312   1.616
 1520TIP3   OH251929  -3.207   3.545   2.618
 1520TIP3    H151930  -3.150   3.579   2.690
 1520TIP3    H251931  -3.259   3.476   2.663
 1520TIP3   OH251932  -3.397   3.687   1.839
 1520TIP3    H151933  -3.323   3.750   1.856
 1520TIP3    H251934  -3.425   3.666   1.930
 1520TIP3   OH251935  -3.364   3.789   2.759
 1520TIP3    H151936  -3.364   3.841   2.841
 1520TIP3    H251937  -3.315   3.711   2.786
 1521TIP3   OH251938  -3.778   3.495   1.597
 1521TIP3    H151939  -3.764   3.579   1.646
 1521TIP3    H251940  -3.697   3.446   1.614
 1521TIP3   OH251941  -2.741   3.583   2.846
 1521TIP3    H151942  -2.837   3.597   2.831
 1521TIP3    H251943  -2.714   3.565   2.755
 1521TIP3   OH251944  -2.889   3.966   2.242
 1521TIP3    H151945  -2.971   3.919   2.220
 1521TIP3    H251946  -2.841   3.899   2.295
 1521TIP3   OH251947  -4.115   3.797   1.414
 1521TIP3    H151948  -4.109   3.892   1.433
 1521TIP3    H251949  -4.195   3.788   1.361
 1521TIP3   OH251950  -4.022   3.292   2.282
 1521TIP3    H151951  -4.060   3.295   2.192
 1521TIP3    H251952  -4.068   3.216   2.321
 1521TIP3   OH251953  -4.214   4.329   3.124
 1521TIP3    H151954  -4.223   4.234   3.107
 1521TIP3    H251955  -4.307   4.352   3.103
 1521TIP3   OH251956  -3.585   4.329   3.045
 1521TIP3    H151957  -3.585   4.345   2.948
 1521TIP3    H251958  -3.552   4.237   3.049
 1521TIP3   OH251959  -2.985  -4.376   2.819
 1521TIP3    H151960  -2.906  -4.332   2.785
 1521TIP3    H251961  -3.053  -4.311   2.800
 1521TIP3   OH251962  -4.124   4.039   3.078
 1521TIP3    H151963  -4.055   3.971   3.065
 1521TIP3    H251964  -4.138   4.040   3.173
 1521TIP3   OH251965  -3.661   4.161   1.570
 1521TIP3    H151966  -3.727   4.121   1.628
 1521TIP3    H251967  -3.647   4.091   1.503
 1522TIP3   OH251968  -3.740   3.935   2.810
 1522TIP3    H151969  -3.807   4.005   2.822
 1522TIP3    H251970  -3.685   3.972   2.739
 1522TIP3   OH251971  -3.578   3.954   1.397
 1522TIP3    H151972  -3.580   3.973   1.301
 1522TIP3    H251973  -3.483   3.958   1.415
 1522TIP3   OH251974  -3.218   4.216   3.157
 1522TIP3    H151975  -3.131   4.195   3.123
 1522TIP3    H251976  -3.252   4.131   3.185
 1522TIP3   OH251977  -2.663   4.219   1.301
 1522TIP3    H151978  -2.601   4.172   1.244
 1522TIP3    H251979  -2.613   4.298   1.327
 1522TIP3   OH251980  -3.690   3.663   2.915
 1522TIP3    H151981  -3.684   3.599   2.842
 1522TIP3    H251982  -3.713   3.745   2.867
 1522TIP3   OH251983  -3.655   3.507   2.657
 1522TIP3    H151984  -3.605   3.565   2.596
 1522TIP3    H251985  -3.748   3.515   2.625
 1522TIP3   OH251986  -3.504   4.067   2.690
 1522TIP3    H151987  -3.420   4.057   2.642
 1522TIP3    H251988  -3.542   4.148   2.650
 1522TIP3   OH251989  -3.043   3.849   3.175
 1522TIP3    H151990  -3.023   3.756   3.195
 1522TIP3    H251991  -2.954   3.887   3.174
 1522TIP3   OH251992  -2.947   4.136   3.013
 1522TIP3    H151993  -2.971   4.208   2.950
 1522TIP3    H251994  -2.856   4.118   2.984
 1522TIP3   OH251995  -3.874   3.849   3.102
 1522TIP3    H151996  -3.929   3.769   3.091
 1522TIP3    H251997  -3.796   3.826   3.049
 1523TIP3   OH251998  -3.584   3.241   2.692
 1523TIP3    H151999  -3.601   3.336   2.677
 1523TIP3    H252000  -3.659   3.202   2.642
 1523TIP3   OH252001  -3.457   3.700   3.073
 1523TIP3    H152002  -3.491   3.681   3.162
 1523TIP3    H252003  -3.537   3.682   3.020
 1523TIP3   OH252004  -3.207   3.603   2.959
 1523TIP3    H152005  -3.294   3.613   3.003
 1523TIP3    H252006  -3.160   3.544   3.020
 1523TIP3   OH252007  -3.021   3.453   3.132
 1523TIP3    H152008  -3.037   3.358   3.151
 1523TIP3    H252009  -3.038   3.496   3.218
 1523TIP3   OH252010  -4.014   3.599   3.078
 1523TIP3    H152011  -4.018   3.527   3.013
 1523TIP3    H252012  -4.033   3.551   3.161
 1523TIP3   OH252013  -3.603   3.192   2.977
 1523TIP3    H152014  -3.543   3.116   2.983
 1523TIP3    H252015  -3.604   3.208   2.880
 1523TIP3   OH252016  -3.506   3.378   3.161
 1523TIP3    H152017  -3.541   3.319   3.091
 1523TIP3    H252018  -3.573   3.448   3.166
 1523TIP3   OH252019  -2.567   4.364   1.761
 1523TIP3    H152020  -2.474   4.361   1.731
 1523TIP3    H252021  -2.581   4.274   1.796
 1523TIP3   OH252022  -2.529   4.130   1.926
 1523TIP3    H152023  -2.608   4.088   1.965
 1523TIP3    H252024  -2.474   4.152   2.003
 1523TIP3   OH252025  -2.514   4.075   1.592
 1523TIP3    H152026  -2.527   4.104   1.500
 1523TIP3    H252027  -2.484   4.156   1.633
 1524TIP3   OH252028  -2.686   3.842   1.410
 1524TIP3    H152029  -2.663   3.909   1.344
 1524TIP3    H252030  -2.707   3.764   1.355
 1524TIP3   OH252031  -2.759   3.964   1.998
 1524TIP3    H152032  -2.760   3.868   1.985
 1524TIP3    H252033  -2.794   3.972   2.089
 1524TIP3   OH252034  -4.246   4.217   2.382
 1524TIP3    H152035  -4.229   4.177   2.296
 1524TIP3    H252036  -4.182   4.171   2.440
 1524TIP3   OH252037  -2.671   4.160   2.919
 1524TIP3    H152038  -2.599   4.101   2.948
 1524TIP3    H252039  -2.627   4.244   2.897
 1524TIP3   OH252040  -2.529   3.965   3.037
 1524TIP3    H152041  -2.610   3.913   3.019
 1524TIP3    H252042  -2.461   3.896   3.041
 1524TIP3   OH252043  -2.741   3.576   1.330
 1524TIP3    H152044  -2.682   3.527   1.390
 1524TIP3    H252045  -2.819   3.520   1.322
 1524TIP3   OH252046  -2.754   3.703   1.826
 1524TIP3    H152047  -2.731   3.608   1.828
 1524TIP3    H252048  -2.674   3.741   1.785
 1524TIP3   OH252049  -2.737   3.765   2.367
 1524TIP3    H152050  -2.641   3.779   2.364
 1524TIP3    H252051  -2.752   3.773   2.463
 1524TIP3   OH252052  -2.720   3.837   2.649
 1524TIP3    H152053  -2.806   3.876   2.675
 1524TIP3    H252054  -2.669   3.917   2.626
 1524TIP3   OH252055  -4.296   3.699   2.976
 1524TIP3    H152056  -4.208   3.688   3.015
 1524TIP3    H252057  -4.356   3.654   3.037
 1525TIP3   OH252058  -2.463   3.253   3.179
 1525TIP3    H152059  -2.422   3.184   3.124
 1525TIP3    H252060  -2.461   3.330   3.120
 1525TIP3   OH252061  -2.734   3.405   1.816
 1525TIP3    H152062  -2.703   3.390   1.908
 1525TIP3    H252063  -2.814   3.352   1.816
 1525TIP3   OH252064  -4.194   3.552   2.310
 1525TIP3    H152065  -4.158   3.464   2.326
 1525TIP3    H252066  -4.123   3.609   2.345
 1525TIP3   OH252067  -4.333   3.807   2.403
 1525TIP3    H152068  -4.280   3.780   2.327
 1525TIP3    H252069  -4.324   3.903   2.400
 1525TIP3   OH252070  -2.526   3.458   3.003
 1525TIP3    H152071  -2.613   3.500   3.011
 1525TIP3    H252072  -2.539   3.403   2.923
 1525TIP3   OH252073  -2.522   3.467   1.493
 1525TIP3    H152074  -2.484   3.393   1.442
 1525TIP3    H252075  -2.446   3.527   1.502
 1525TIP3   OH252076  -4.317   3.429   1.764
 1525TIP3    H152077  -4.401   3.459   1.726
 1525TIP3    H252078  -4.257   3.500   1.729
 1525TIP3   OH252079  -4.294   3.322   2.595
 1525TIP3    H152080  -4.359   3.319   2.669
 1525TIP3    H252081  -4.337   3.377   2.527
 1525TIP3   OH252082  -2.641   3.280   2.801
 1525TIP3    H152083  -2.720   3.303   2.749
 1525TIP3    H252084  -2.619   3.191   2.767
 1525TIP3   OH252085  -3.289   3.428   2.234
 1525TIP3    H152086  -3.359   3.362   2.250
 1525TIP3    H252087  -3.224   3.379   2.180
 1526TIP3   OH252088  -2.799   3.228   2.290
 1526TIP3    H152089  -2.723   3.278   2.256
 1526TIP3    H252090  -2.872   3.270   2.243
 1526TIP3   OH252091  -2.602   3.346   2.067
 1526TIP3    H152092  -2.525   3.303   2.026
 1526TIP3    H252093  -2.566   3.436   2.084
 1526TIP3   OH252094  -4.104   3.288   1.999
 1526TIP3    H152095  -4.180   3.261   1.946
 1526TIP3    H252096  -4.047   3.210   1.992
 1526TIP3   OH252097  -4.181   3.249   1.584
 1526TIP3    H152098  -4.131   3.316   1.533
 1526TIP3    H252099  -4.234   3.306   1.642
 1526TIP3   OH252100  -3.594   3.284   1.986
 1526TIP3    H152101  -3.514   3.336   2.002
 1526TIP3    H252102  -3.627   3.277   2.076
 1526TIP3   OH252103  -3.064   3.283   2.124
 1526TIP3    H152104  -3.020   3.260   2.041
 1526TIP3    H252105  -3.092   3.196   2.157
 1526TIP3   OH252106  -4.006   3.435   1.438
 1526TIP3    H152107  -3.948   3.379   1.384
 1526TIP3    H252108  -3.945   3.466   1.507
 1526TIP3   OH252109  -3.438   3.431   1.715
 1526TIP3    H152110  -3.491   3.381   1.779
 1526TIP3    H252111  -3.465   3.522   1.736
 1526TIP3   OH252112  -4.080   3.326   2.953
 1526TIP3    H152113  -4.125   3.250   2.994
 1526TIP3    H252114  -3.989   3.313   2.985
 1526TIP3   OH252115  -3.845   3.263   3.129
 1526TIP3    H152116  -3.763   3.227   3.091
 1526TIP3    H252117  -3.879   3.185   3.176
 1527TIP3   OH252118  -3.032   3.171   3.143
 1527TIP3    H152119  -3.030   3.131   3.232
 1527TIP3    H252120  -2.937   3.172   3.120
 1527TIP3   OH252121  -1.273   4.205   2.011
 1527TIP3    H152122  -1.305   4.296   2.008
 1527TIP3    H252123  -1.346   4.159   1.967
 1527TIP3   OH252124  -1.390   4.133   2.339
 1527TIP3    H152125  -1.389   4.079   2.419
 1527TIP3    H252126  -1.418   4.069   2.272
 1527TIP3   OH252127  -2.148   4.081   2.499
 1527TIP3    H152128  -2.149   4.008   2.563
 1527TIP3    H252129  -2.075   4.134   2.533
 1527TIP3   OH252130  -2.381   3.883   1.896
 1527TIP3    H152131  -2.419   3.973   1.898
 1527TIP3    H252132  -2.448   3.836   1.846
 1527TIP3   OH252133  -2.283   4.135   2.083
 1527TIP3    H152134  -2.283   4.052   2.135
 1527TIP3    H252135  -2.207   4.118   2.026
 1527TIP3   OH252136  -0.675   3.523   2.458
 1527TIP3    H152137  -0.648   3.584   2.529
 1527TIP3    H252138  -0.614   3.549   2.387
 1527TIP3   OH252139  -1.209   3.802   2.447
 1527TIP3    H152140  -1.196   3.705   2.446
 1527TIP3    H252141  -1.219   3.820   2.352
 1527TIP3   OH252142  -1.914   3.605   2.154
 1527TIP3    H152143  -1.899   3.690   2.108
 1527TIP3    H252144  -1.948   3.552   2.079
 1527TIP3   OH252145  -1.128   3.624   1.985
 1527TIP3    H152146  -1.070   3.580   2.050
 1527TIP3    H252147  -1.063   3.667   1.928
 1528TIP3   OH252148  -2.247   3.876   2.204
 1528TIP3    H152149  -2.182   3.830   2.259
 1528TIP3    H252150  -2.237   3.829   2.119
 1528TIP3   OH252151  -1.703   4.019   2.151
 1528TIP3    H152152  -1.636   3.960   2.191
 1528TIP3    H252153  -1.758   3.955   2.101
 1528TIP3   OH252154  -0.602   3.659   2.707
 1528TIP3    H152155  -0.661   3.731   2.678
 1528TIP3    H252156  -0.620   3.657   2.802
 1528TIP3   OH252157  -2.034   3.484   2.568
 1528TIP3    H152158  -2.074   3.535   2.496
 1528TIP3    H252159  -2.100   3.500   2.639
 1528TIP3   OH252160  -1.762   4.266   2.547
 1528TIP3    H152161  -1.844   4.319   2.550
 1528TIP3    H252162  -1.697   4.338   2.536
 1528TIP3   OH252163  -0.946   3.548   2.187
 1528TIP3    H152164  -0.981   3.483   2.249
 1528TIP3    H252165  -0.894   3.606   2.245
 1528TIP3   OH252166  -2.073   3.689   2.363
 1528TIP3    H152167  -2.009   3.747   2.409
 1528TIP3    H252168  -2.016   3.653   2.291
 1528TIP3   OH252169  -0.936   3.472   2.573
 1528TIP3    H152170  -1.013   3.499   2.518
 1528TIP3    H252171  -0.862   3.482   2.511
 1528TIP3   OH252172  -1.619   3.234   2.278
 1528TIP3    H152173  -1.641   3.139   2.270
 1528TIP3    H252174  -1.702   3.270   2.314
 1528TIP3   OH252175  -1.423   4.145   1.751
 1528TIP3    H152176  -1.488   4.179   1.689
 1528TIP3    H252177  -1.346   4.134   1.692
 1529TIP3   OH252178  -1.381   3.942   1.469
 1529TIP3    H152179  -1.307   3.979   1.522
 1529TIP3    H252180  -1.332   3.891   1.403
 1529TIP3   OH252181  -0.669   4.056   2.576
 1529TIP3    H152182  -0.737   4.127   2.585
 1529TIP3    H252183  -0.618   4.092   2.500
 1529TIP3   OH252184  -1.049   4.142   1.853
 1529TIP3    H152185  -1.117   4.162   1.921
 1529TIP3    H252186  -0.985   4.089   1.903
 1529TIP3   OH252187  -1.077   3.969   2.748
 1529TIP3    H152188  -1.076   4.045   2.809
 1529TIP3    H252189  -1.134   4.005   2.677
 1529TIP3   OH252190  -1.900   4.207   2.047
 1529TIP3    H152191  -1.919   4.182   1.955
 1529TIP3    H252192  -1.820   4.154   2.066
 1529TIP3   OH252193  -1.842   4.065   2.389
 1529TIP3    H152194  -1.788   4.073   2.308
 1529TIP3    H252195  -1.812   4.142   2.442
 1529TIP3   OH252196  -1.169   4.074   1.616
 1529TIP3    H152197  -1.112   4.101   1.691
 1529TIP3    H252198  -1.123   4.119   1.541
 1529TIP3   OH252199  -2.058   4.145   2.773
 1529TIP3    H152200  -2.046   4.209   2.847
 1529TIP3    H252201  -2.155   4.139   2.771
 1529TIP3   OH252202  -0.820   3.247   1.558
 1529TIP3    H152203  -0.908   3.255   1.599
 1529TIP3    H252204  -0.785   3.337   1.565
 1529TIP3   OH252205  -2.008   4.078   1.802
 1529TIP3    H152206  -2.025   4.160   1.749
 1529TIP3    H252207  -2.068   4.016   1.759
 1530TIP3   OH252208  -2.412   4.309   2.675
 1530TIP3    H152209  -2.413   4.292   2.580
 1530TIP3    H252210  -2.380   4.224   2.711
 1530TIP3   OH252211  -0.891   3.833   2.982
 1530TIP3    H152212  -0.925   3.876   2.902
 1530TIP3    H252213  -0.875   3.742   2.950
 1530TIP3   OH252214  -1.862   3.348   2.369
 1530TIP3    H152215  -1.943   3.342   2.316
 1530TIP3    H252216  -1.886   3.422   2.427
 1530TIP3   OH252217  -1.423   3.308   2.737
 1530TIP3    H152218  -1.372   3.250   2.796
 1530TIP3    H252219  -1.514   3.272   2.745
 1530TIP3   OH252220  -1.159   3.682   2.819
 1530TIP3    H152221  -1.130   3.680   2.911
 1530TIP3    H252222  -1.125   3.767   2.787
 1530TIP3   OH252223  -1.030   4.176   1.410
 1530TIP3    H152224  -1.037   4.159   1.315
 1530TIP3    H252225  -0.940   4.214   1.416
 1530TIP3   OH252226  -1.444   3.557   1.459
 1530TIP3    H152227  -1.494   3.545   1.540
 1530TIP3    H252228  -1.486   3.490   1.401
 1530TIP3   OH252229  -1.873   3.824   2.516
 1530TIP3    H152230  -1.939   3.838   2.586
 1530TIP3    H252231  -1.866   3.914   2.476
 1530TIP3   OH252232  -1.880   3.832   1.998
 1530TIP3    H152233  -1.975   3.828   1.981
 1530TIP3    H252234  -1.845   3.815   1.909
 1530TIP3   OH252235  -1.320   3.901   1.878
 1530TIP3    H152236  -1.368   3.974   1.836
 1530TIP3    H252237  -1.254   3.878   1.810
 1531TIP3   OH252238  -1.236   3.831   2.151
 1531TIP3    H152239  -1.265   3.885   2.075
 1531TIP3    H252240  -1.212   3.749   2.104
 1531TIP3   OH252241  -2.134   3.840   2.688
 1531TIP3    H152242  -2.119   3.881   2.775
 1531TIP3    H252243  -2.172   3.754   2.713
 1531TIP3   OH252244  -1.800   3.599   1.347
 1531TIP3    H152245  -1.836   3.567   1.432
 1531TIP3    H252246  -1.880   3.620   1.298
 1531TIP3   OH252247  -2.460   3.584   2.060
 1531TIP3    H152248  -2.396   3.589   2.134
 1531TIP3    H252249  -2.406   3.555   1.986
 1531TIP3   OH252250  -2.303   3.637   1.620
 1531TIP3    H152251  -2.247   3.690   1.559
 1531TIP3    H252252  -2.370   3.704   1.641
 1531TIP3   OH252253  -1.337   3.996   2.596
 1531TIP3    H152254  -1.285   3.930   2.545
 1531TIP3    H252255  -1.372   3.941   2.668
 1531TIP3   OH252256  -1.604   3.596   2.101
 1531TIP3    H152257  -1.699   3.590   2.121
 1531TIP3    H252258  -1.564   3.573   2.187
 1531TIP3   OH252259  -2.153   3.714   1.971
 1531TIP3    H152260  -2.229   3.745   1.919
 1531TIP3    H252261  -2.119   3.639   1.919
 1531TIP3   OH252262  -1.785   3.751   1.738
 1531TIP3    H152263  -1.689   3.761   1.737
 1531TIP3    H252264  -1.815   3.806   1.662
 1531TIP3   OH252265  -1.167   3.508   2.405
 1531TIP3    H152266  -1.236   3.509   2.475
 1531TIP3    H252267  -1.219   3.473   2.331
 1532TIP3   OH252268  -1.933   3.867   1.518
 1532TIP3    H152269  -2.003   3.858   1.451
 1532TIP3    H252270  -1.858   3.893   1.462
 1532TIP3   OH252271  -2.046   4.316   2.978
 1532TIP3    H152272  -1.991   4.364   3.043
 1532TIP3    H252273  -2.128   4.304   3.032
 1532TIP3   OH252274  -1.503   3.850   2.284
 1532TIP3    H152275  -1.431   3.807   2.237
 1532TIP3    H252276  -1.519   3.789   2.359
 1532TIP3   OH252277  -1.974   3.491   1.900
 1532TIP3    H152278  -2.027   3.410   1.913
 1532TIP3    H252279  -1.893   3.456   1.860
 1532TIP3   OH252280  -1.606   3.698   2.509
 1532TIP3    H152281  -1.685   3.754   2.510
 1532TIP3    H252282  -1.558   3.725   2.590
 1532TIP3   OH252283  -1.631   4.366   1.718
 1532TIP3    H152284  -1.678   4.300   1.662
 1532TIP3    H252285  -1.586   4.312   1.784
 1532TIP3   OH252286  -0.842   4.271   2.567
 1532TIP3    H152287  -0.820   4.311   2.481
 1532TIP3    H252288  -0.938   4.257   2.550
 1532TIP3   OH252289  -1.176   3.617   1.474
 1532TIP3    H152290  -1.275   3.613   1.469
 1532TIP3    H252291  -1.159   3.690   1.536
 1532TIP3   OH252292  -1.109   3.798   1.682
 1532TIP3    H152293  -1.020   3.781   1.719
 1532TIP3    H252294  -1.097   3.884   1.638
 1532TIP3   OH252295  -2.044   4.252   2.273
 1532TIP3    H152296  -1.991   4.243   2.191
 1532TIP3    H252297  -2.043   4.162   2.307
 1533TIP3   OH252298  -2.344   4.078   2.800
 1533TIP3    H152299  -2.337   4.043   2.891
 1533TIP3    H252300  -2.421   4.031   2.764
 1533TIP3   OH252301  -1.642   4.036   3.005
 1533TIP3    H152302  -1.679   4.023   2.916
 1533TIP3    H252303  -1.547   4.044   2.987
 1533TIP3   OH252304  -0.650   3.797   1.653
 1533TIP3    H152305  -0.705   3.778   1.575
 1533TIP3    H252306  -0.637   3.893   1.638
 1533TIP3   OH252307  -1.102   4.180   2.432
 1533TIP3    H152308  -1.193   4.183   2.399
 1533TIP3    H252309  -1.056   4.133   2.360
 1533TIP3   OH252310  -2.222   3.565   2.768
 1533TIP3    H152311  -2.312   3.590   2.741
 1533TIP3    H252312  -2.236   3.477   2.808
 1533TIP3   OH252313  -2.077  -4.389   1.669
 1533TIP3    H152314  -2.172  -4.369   1.658
 1533TIP3    H252315  -2.039  -4.326   1.607
 1533TIP3   OH252316  -1.329   3.553   2.624
 1533TIP3    H152317  -1.266   3.577   2.694
 1533TIP3    H252318  -1.375   3.475   2.661
 1533TIP3   OH252319  -1.262   3.493   1.748
 1533TIP3    H152320  -1.244   3.545   1.668
 1533TIP3    H252321  -1.215   3.543   1.816
 1533TIP3   OH252322  -1.517   3.692   1.842
 1533TIP3    H152323  -1.441   3.751   1.858
 1533TIP3    H252324  -1.549   3.676   1.933
 1533TIP3   OH252325  -1.470   3.801   2.769
 1533TIP3    H152326  -1.466   3.836   2.859
 1533TIP3    H252327  -1.416   3.721   2.772
 1534TIP3   OH252328  -1.461   3.394   1.937
 1534TIP3    H152329  -1.481   3.465   2.001
 1534TIP3    H252330  -1.388   3.434   1.885
 1534TIP3   OH252331  -1.888   3.494   1.589
 1534TIP3    H152332  -1.885   3.572   1.648
 1534TIP3    H252333  -1.806   3.448   1.616
 1534TIP3   OH252334  -0.866   3.590   2.843
 1534TIP3    H152335  -0.961   3.583   2.824
 1534TIP3    H252336  -0.831   3.565   2.756
 1534TIP3   OH252337  -1.002   3.968   2.243
 1534TIP3    H152338  -1.086   3.923   2.221
 1534TIP3    H252339  -0.955   3.899   2.294
 1534TIP3   OH252340  -2.241   3.831   1.416
 1534TIP3    H152341  -2.221   3.925   1.397
 1534TIP3    H252342  -2.323   3.822   1.367
 1534TIP3   OH252343  -2.142   3.304   2.286
 1534TIP3    H152344  -2.158   3.302   2.190
 1534TIP3    H252345  -2.174   3.217   2.315
 1534TIP3   OH252346  -2.291   4.307   3.090
 1534TIP3    H152347  -2.314   4.213   3.097
 1534TIP3    H252348  -2.373   4.352   3.068
 1534TIP3   OH252349  -1.704   4.322   3.045
 1534TIP3    H152350  -1.701   4.341   2.949
 1534TIP3    H252351  -1.662   4.234   3.050
 1534TIP3   OH252352  -1.099  -4.373   2.821
 1534TIP3    H152353  -1.025  -4.326   2.780
 1534TIP3    H252354  -1.173  -4.316   2.797
 1534TIP3   OH252355  -2.234   4.023   3.064
 1534TIP3    H152356  -2.157   3.965   3.058
 1534TIP3    H252357  -2.233   4.045   3.158
 1535TIP3   OH252358  -1.770   4.157   1.582
 1535TIP3    H152359  -1.845   4.119   1.628
 1535TIP3    H252360  -1.761   4.096   1.506
 1535TIP3   OH252361  -1.857   3.935   2.809
 1535TIP3    H152362  -1.918   4.010   2.823
 1535TIP3    H252363  -1.800   3.969   2.739
 1535TIP3   OH252364  -1.694   3.957   1.397
 1535TIP3    H152365  -1.699   3.970   1.301
 1535TIP3    H252366  -1.597   3.958   1.413
 1535TIP3   OH252367  -1.350   4.167   3.119
 1535TIP3    H152368  -1.259   4.198   3.129
 1535TIP3    H252369  -1.370   4.137   3.209
 1535TIP3   OH252370  -0.762   4.189   1.321
 1535TIP3    H152371  -0.772   4.183   1.224
 1535TIP3    H252372  -0.759   4.286   1.338
 1535TIP3   OH252373  -1.792   3.667   2.919
 1535TIP3    H152374  -1.794   3.599   2.849
 1535TIP3    H252375  -1.818   3.746   2.870
 1535TIP3   OH252376  -1.772   3.511   2.661
 1535TIP3    H152377  -1.721   3.564   2.596
 1535TIP3    H252378  -1.863   3.514   2.625
 1535TIP3   OH252379  -1.617   4.070   2.693
 1535TIP3    H152380  -1.536   4.059   2.639
 1535TIP3    H252381  -1.658   4.148   2.651
 1535TIP3   OH252382  -1.059   4.128   3.006
 1535TIP3    H152383  -1.085   4.203   2.949
 1535TIP3    H252384  -0.965   4.120   2.982
 1535TIP3   OH252385  -1.987   3.848   3.097
 1535TIP3    H152386  -2.039   3.766   3.093
 1535TIP3    H252387  -1.906   3.823   3.049
 1536TIP3   OH252388  -1.699   3.245   2.697
 1536TIP3    H152389  -1.718   3.339   2.680
 1536TIP3    H252390  -1.767   3.201   2.642
 1536TIP3   OH252391  -1.537   3.703   3.085
 1536TIP3    H152392  -1.596   3.686   3.161
 1536TIP3    H252393  -1.603   3.693   3.014
 1536TIP3   OH252394  -1.171   3.505   3.184
 1536TIP3    H152395  -1.164   3.414   3.151
 1536TIP3    H252396  -1.181   3.488   3.279
 1536TIP3   OH252397  -2.117   3.594   3.077
 1536TIP3    H152398  -2.127   3.523   3.012
 1536TIP3    H252399  -2.139   3.547   3.160
 1536TIP3   OH252400  -1.711   3.195   2.980
 1536TIP3    H152401  -1.654   3.116   2.983
 1536TIP3    H252402  -1.718   3.209   2.884
 1536TIP3   OH252403  -1.611   3.386   3.164
 1536TIP3    H152404  -1.642   3.325   3.095
 1536TIP3    H252405  -1.683   3.452   3.168
 1536TIP3   OH252406  -0.681   4.364   1.763
 1536TIP3    H152407  -0.587   4.361   1.743
 1536TIP3    H252408  -0.699   4.279   1.806
 1536TIP3   OH252409  -0.645   4.131   1.925
 1536TIP3    H152410  -0.723   4.088   1.964
 1536TIP3    H252411  -0.590   4.152   2.002
 1536TIP3   OH252412  -0.627   4.093   1.577
 1536TIP3    H152413  -0.690   4.115   1.505
 1536TIP3    H252414  -0.641   4.167   1.637
 1536TIP3   OH252415  -0.800   3.843   1.411
 1536TIP3    H152416  -0.780   3.906   1.339
 1536TIP3    H252417  -0.824   3.762   1.362
 1537TIP3   OH252418  -0.871   3.966   1.999
 1537TIP3    H152419  -0.874   3.869   1.985
 1537TIP3    H252420  -0.908   3.973   2.090
 1537TIP3   OH252421  -2.386   4.187   2.397
 1537TIP3    H152422  -2.376   4.204   2.302
 1537TIP3    H252423  -2.295   4.161   2.421
 1537TIP3   OH252424  -0.786   4.165   2.920
 1537TIP3    H152425  -0.715   4.102   2.944
 1537TIP3    H252426  -0.739   4.250   2.908
 1537TIP3   OH252427  -0.647   3.964   3.030
 1537TIP3    H152428  -0.726   3.908   3.020
 1537TIP3    H252429  -0.576   3.897   3.041
 1537TIP3   OH252430  -0.855   3.579   1.330
 1537TIP3    H152431  -0.798   3.528   1.390
 1537TIP3    H252432  -0.935   3.525   1.323
 1537TIP3   OH252433  -0.872   3.706   1.826
 1537TIP3    H152434  -0.849   3.611   1.831
 1537TIP3    H252435  -0.792   3.741   1.784
 1537TIP3   OH252436  -0.851   3.768   2.368
 1537TIP3    H152437  -0.754   3.779   2.365
 1537TIP3    H252438  -0.866   3.770   2.464
 1537TIP3   OH252439  -0.838   3.839   2.655
 1537TIP3    H152440  -0.924   3.881   2.675
 1537TIP3    H252441  -0.784   3.915   2.627
 1537TIP3   OH252442  -2.387   3.716   3.017
 1537TIP3    H152443  -2.293   3.690   3.020
 1537TIP3    H252444  -2.431   3.629   3.025
 1537TIP3   OH252445  -0.582   3.253   3.176
 1537TIP3    H152446  -0.537   3.184   3.123
 1537TIP3    H252447  -0.575   3.331   3.119
 1538TIP3   OH252448  -0.827   3.427   1.822
 1538TIP3    H152449  -0.817   3.392   1.913
 1538TIP3    H252450  -0.906   3.378   1.792
 1538TIP3   OH252451  -2.308   3.546   2.299
 1538TIP3    H152452  -2.260   3.461   2.305
 1538TIP3    H252453  -2.240   3.608   2.332
 1538TIP3   OH252454  -2.454   3.814   2.404
 1538TIP3    H152455  -2.395   3.813   2.327
 1538TIP3    H252456  -2.422   3.894   2.449
 1538TIP3   OH252457  -0.640   3.461   2.999
 1538TIP3    H152458  -0.729   3.497   3.014
 1538TIP3    H252459  -0.656   3.404   2.922
 1538TIP3   OH252460  -0.630   3.475   1.490
 1538TIP3    H152461  -0.600   3.395   1.444
 1538TIP3    H252462  -0.548   3.527   1.495
 1538TIP3   OH252463  -2.416   3.449   1.801
 1538TIP3    H152464  -2.509   3.461   1.777
 1538TIP3    H252465  -2.370   3.509   1.741
 1538TIP3   OH252466  -2.400   3.336   2.622
 1538TIP3    H152467  -2.471   3.311   2.683
 1538TIP3    H252468  -2.449   3.390   2.557
 1538TIP3   OH252469  -0.757   3.280   2.803
 1538TIP3    H152470  -0.836   3.296   2.748
 1538TIP3    H252471  -0.731   3.191   2.771
 1538TIP3   OH252472  -1.411   3.429   2.250
 1538TIP3    H152473  -1.480   3.361   2.262
 1538TIP3    H252474  -1.352   3.385   2.188
 1538TIP3   OH252475  -0.917   3.239   2.298
 1538TIP3    H152476  -0.840   3.276   2.251
 1538TIP3    H252477  -0.990   3.258   2.237
 1539TIP3   OH252478  -0.707   3.343   2.084
 1539TIP3    H152479  -0.638   3.299   2.031
 1539TIP3    H252480  -0.675   3.435   2.089
 1539TIP3   OH252481  -2.178   3.300   2.005
 1539TIP3    H152482  -2.264   3.285   1.960
 1539TIP3    H252483  -2.133   3.215   1.989
 1539TIP3   OH252484  -2.296   3.250   1.594
 1539TIP3    H152485  -2.243   3.314   1.541
 1539TIP3    H252486  -2.337   3.308   1.660
 1539TIP3   OH252487  -1.730   3.286   1.992
 1539TIP3    H152488  -1.638   3.312   1.975
 1539TIP3    H252489  -1.729   3.273   2.088
 1539TIP3   OH252490  -1.169   3.288   2.133
 1539TIP3    H152491  -1.142   3.271   2.042
 1539TIP3    H252492  -1.209   3.202   2.158
 1539TIP3   OH252493  -1.058   3.289   1.731
 1539TIP3    H152494  -1.141   3.338   1.715
 1539TIP3    H252495  -1.092   3.199   1.749
 1539TIP3   OH252496  -2.124   3.427   1.437
 1539TIP3    H152497  -2.059   3.377   1.383
 1539TIP3    H252498  -2.066   3.465   1.505
 1539TIP3   OH252499  -1.616   3.450   1.697
 1539TIP3    H152500  -1.579   3.392   1.765
 1539TIP3    H252501  -1.594   3.537   1.734
 1539TIP3   OH252502  -2.197   3.324   2.956
 1539TIP3    H152503  -2.236   3.243   2.992
 1539TIP3    H252504  -2.104   3.312   2.983
 1539TIP3   OH252505  -1.957   3.264   3.132
 1539TIP3    H152506  -1.875   3.229   3.091
 1539TIP3    H252507  -1.993   3.184   3.173
 1540TIP3   OH252508  -1.143   3.204   3.149
 1540TIP3    H152509  -1.145   3.153   3.233
 1540TIP3    H252510  -1.049   3.193   3.123
 1540TIP3   OH252511   0.607   4.204   2.024
 1540TIP3    H152512   0.584   4.296   2.001
 1540TIP3    H252513   0.540   4.157   1.972
 1540TIP3   OH252514  -0.258   4.078   2.496
 1540TIP3    H152515  -0.263   4.006   2.561
 1540TIP3    H252516  -0.194   4.137   2.539
 1540TIP3   OH252517  -0.492   3.888   1.894
 1540TIP3    H152518  -0.539   3.973   1.898
 1540TIP3    H252519  -0.560   3.831   1.854
 1540TIP3   OH252520  -0.394   4.137   2.084
 1540TIP3    H152521  -0.398   4.054   2.135
 1540TIP3    H252522  -0.321   4.115   2.024
 1540TIP3   OH252523   1.206   3.531   2.453
 1540TIP3    H152524   1.236   3.586   2.527
 1540TIP3    H252525   1.272   3.554   2.385
 1540TIP3   OH252526   0.664   3.824   2.444
 1540TIP3    H152527   0.676   3.735   2.481
 1540TIP3    H252528   0.663   3.804   2.349
 1540TIP3   OH252529  -0.028   3.607   2.153
 1540TIP3    H152530  -0.015   3.691   2.105
 1540TIP3    H252531  -0.062   3.552   2.079
 1540TIP3   OH252532   0.758   3.624   1.984
 1540TIP3    H152533   0.816   3.579   2.050
 1540TIP3    H252534   0.824   3.666   1.928
 1540TIP3   OH252535  -0.360   3.878   2.202
 1540TIP3    H152536  -0.298   3.830   2.259
 1540TIP3    H252537  -0.351   3.829   2.119
 1541TIP3   OH252538   0.181   4.019   2.151
 1541TIP3    H152539   0.249   3.962   2.192
 1541TIP3    H252540   0.128   3.954   2.101
 1541TIP3   OH252541   1.283   3.662   2.705
 1541TIP3    H152542   1.225   3.735   2.678
 1541TIP3    H252543   1.260   3.656   2.799
 1541TIP3   OH252544  -0.146   3.485   2.568
 1541TIP3    H152545  -0.189   3.533   2.496
 1541TIP3    H252546  -0.212   3.497   2.639
 1541TIP3   OH252547   0.120   4.261   2.550
 1541TIP3    H152548   0.039   4.314   2.552
 1541TIP3    H252549   0.186   4.332   2.543
 1541TIP3   OH252550   0.939   3.549   2.187
 1541TIP3    H152551   0.904   3.485   2.251
 1541TIP3    H252552   0.995   3.604   2.243
 1541TIP3   OH252553  -0.188   3.689   2.362
 1541TIP3    H152554  -0.123   3.747   2.407
 1541TIP3    H252555  -0.131   3.652   2.291
 1541TIP3   OH252556   0.952   3.464   2.571
 1541TIP3    H152557   0.875   3.500   2.524
 1541TIP3    H252558   1.025   3.481   2.509
 1541TIP3   OH252559   0.266   3.234   2.277
 1541TIP3    H152560   0.245   3.139   2.272
 1541TIP3    H252561   0.184   3.270   2.315
 1541TIP3   OH252562   0.464   4.147   1.752
 1541TIP3    H152563   0.398   4.173   1.687
 1541TIP3    H252564   0.541   4.133   1.694
 1541TIP3   OH252565   0.504   3.942   1.471
 1541TIP3    H152566   0.579   3.979   1.521
 1541TIP3    H252567   0.552   3.892   1.403
 1542TIP3   OH252568   1.209   4.047   2.567
 1542TIP3    H152569   1.156   4.124   2.595
 1542TIP3    H252570   1.271   4.092   2.507
 1542TIP3   OH252571   0.836   4.139   1.854
 1542TIP3    H152572   0.771   4.160   1.922
 1542TIP3    H252573   0.902   4.088   1.904
 1542TIP3   OH252574   0.789   3.985   2.733
 1542TIP3    H152575   0.794   4.035   2.816
 1542TIP3    H252576   0.747   4.050   2.678
 1542TIP3   OH252577  -0.011   4.206   2.047
 1542TIP3    H152578  -0.035   4.182   1.955
 1542TIP3    H252579   0.065   4.148   2.063
 1542TIP3   OH252580   0.046   4.063   2.388
 1542TIP3    H152581   0.097   4.073   2.306
 1542TIP3    H252582   0.072   4.142   2.440
 1542TIP3   OH252583   0.715   4.076   1.617
 1542TIP3    H152584   0.775   4.101   1.690
 1542TIP3    H252585   0.761   4.120   1.541
 1542TIP3   OH252586  -0.173   4.146   2.773
 1542TIP3    H152587  -0.162   4.208   2.848
 1542TIP3    H252588  -0.270   4.146   2.766
 1542TIP3   OH252589   1.066   3.247   1.558
 1542TIP3    H152590   0.979   3.256   1.600
 1542TIP3    H252591   1.101   3.337   1.564
 1542TIP3   OH252592  -0.129   4.091   1.801
 1542TIP3    H152593  -0.141   4.167   1.740
 1542TIP3    H252594  -0.185   4.023   1.761
 1542TIP3   OH252595  -0.487   4.318   2.656
 1542TIP3    H152596  -0.547   4.299   2.583
 1542TIP3    H252597  -0.496   4.239   2.713
 1543TIP3   OH252598   1.008   3.836   2.979
 1543TIP3    H152599   0.965   3.871   2.900
 1543TIP3    H252600   1.014   3.742   2.956
 1543TIP3   OH252601   0.024   3.350   2.368
 1543TIP3    H152602  -0.057   3.342   2.315
 1543TIP3    H252603  -0.003   3.421   2.429
 1543TIP3   OH252604   0.461   3.306   2.732
 1543TIP3    H152605   0.514   3.254   2.795
 1543TIP3    H252606   0.370   3.271   2.746
 1543TIP3   OH252607   0.774   3.683   2.782
 1543TIP3    H152608   0.716   3.665   2.859
 1543TIP3    H252609   0.760   3.778   2.766
 1543TIP3   OH252610   0.855   4.175   1.411
 1543TIP3    H152611   0.849   4.159   1.315
 1543TIP3    H252612   0.944   4.215   1.417
 1543TIP3   OH252613   0.441   3.558   1.459
 1543TIP3    H152614   0.391   3.543   1.541
 1543TIP3    H252615   0.401   3.490   1.402
 1543TIP3   OH252616   0.014   3.826   2.518
 1543TIP3    H152617  -0.057   3.835   2.583
 1543TIP3    H252618   0.015   3.914   2.473
 1543TIP3   OH252619   0.004   3.836   1.996
 1543TIP3    H152620  -0.091   3.826   1.980
 1543TIP3    H252621   0.039   3.815   1.907
 1543TIP3   OH252622   0.567   3.902   1.882
 1543TIP3    H152623   0.518   3.973   1.837
 1543TIP3    H252624   0.633   3.878   1.814
 1543TIP3   OH252625   0.484   3.921   3.019
 1543TIP3    H152626   0.433   3.843   3.049
 1543TIP3    H252627   0.572   3.904   3.058
 1544TIP3   OH252628   0.657   3.836   2.151
 1544TIP3    H152629   0.626   3.883   2.071
 1544TIP3    H252630   0.679   3.750   2.110
 1544TIP3   OH252631  -0.249   3.841   2.691
 1544TIP3    H152632  -0.234   3.877   2.779
 1544TIP3    H252633  -0.286   3.754   2.712
 1544TIP3   OH252634   0.084   3.605   1.350
 1544TIP3    H152635   0.048   3.566   1.432
 1544TIP3    H252636   0.006   3.615   1.295
 1544TIP3   OH252637  -0.570   3.594   2.056
 1544TIP3    H152638  -0.509   3.586   2.132
 1544TIP3    H252639  -0.522   3.551   1.984
 1544TIP3   OH252640  -0.411   3.635   1.630
 1544TIP3    H152641  -0.358   3.682   1.562
 1544TIP3    H252642  -0.482   3.698   1.645
 1544TIP3   OH252643   0.284   3.608   2.109
 1544TIP3    H152644   0.189   3.592   2.125
 1544TIP3    H252645   0.324   3.570   2.189
 1544TIP3   OH252646  -0.263   3.717   1.968
 1544TIP3    H152647  -0.344   3.742   1.920
 1544TIP3    H252648  -0.233   3.638   1.920
 1544TIP3   OH252649   0.101   3.755   1.738
 1544TIP3    H152650   0.198   3.758   1.738
 1544TIP3    H252651   0.076   3.809   1.661
 1544TIP3   OH252652   0.719   3.514   2.402
 1544TIP3    H152653   0.654   3.513   2.475
 1544TIP3    H252654   0.664   3.479   2.330
 1544TIP3   OH252655  -0.055   3.877   1.514
 1544TIP3    H152656  -0.112   3.844   1.443
 1544TIP3    H252657   0.027   3.897   1.464
 1545TIP3   OH252658  -0.167   4.317   2.978
 1545TIP3    H152659  -0.108   4.362   3.042
 1545TIP3    H252660  -0.246   4.305   3.035
 1545TIP3   OH252661   0.400   3.877   2.308
 1545TIP3    H152662   0.445   3.825   2.240
 1545TIP3    H252663   0.368   3.806   2.368
 1545TIP3   OH252664  -0.087   3.490   1.901
 1545TIP3    H152665  -0.144   3.412   1.913
 1545TIP3    H252666  -0.009   3.451   1.860
 1545TIP3   OH252667   0.284   3.704   2.495
 1545TIP3    H152668   0.199   3.749   2.510
 1545TIP3    H252669   0.331   3.715   2.579
 1545TIP3   OH252670   0.241   4.363   1.734
 1545TIP3    H152671   0.213   4.306   1.660
 1545TIP3    H252672   0.315   4.316   1.775
 1545TIP3   OH252673   1.017   4.257   2.559
 1545TIP3    H152674   1.079   4.299   2.497
 1545TIP3    H252675   0.937   4.272   2.507
 1545TIP3   OH252676   0.709   3.615   1.476
 1545TIP3    H152677   0.611   3.614   1.469
 1545TIP3    H252678   0.726   3.690   1.536
 1545TIP3   OH252679   0.777   3.799   1.685
 1545TIP3    H152680   0.866   3.781   1.721
 1545TIP3    H252681   0.790   3.883   1.638
 1545TIP3   OH252682  -0.157   4.254   2.272
 1545TIP3    H152683  -0.104   4.240   2.191
 1545TIP3    H252684  -0.162   4.164   2.308
 1545TIP3   OH252685  -0.474   4.091   2.811
 1545TIP3    H152686  -0.455   4.045   2.895
 1545TIP3    H252687  -0.533   4.029   2.765
 1546TIP3   OH252688   0.229   4.053   3.007
 1546TIP3    H152689   0.189   4.020   2.925
 1546TIP3    H252690   0.323   4.028   2.995
 1546TIP3   OH252691   1.235   3.798   1.654
 1546TIP3    H152692   1.181   3.778   1.574
 1546TIP3    H252693   1.248   3.894   1.638
 1546TIP3   OH252694  -0.363   4.094   1.458
 1546TIP3    H152695  -0.304   4.155   1.505
 1546TIP3    H252696  -0.448   4.111   1.502
 1546TIP3   OH252697  -0.336   3.565   2.766
 1546TIP3    H152698  -0.427   3.589   2.741
 1546TIP3    H252699  -0.349   3.478   2.808
 1546TIP3   OH252700  -0.186  -4.386   1.644
 1546TIP3    H152701  -0.277  -4.352   1.655
 1546TIP3    H252702  -0.140  -4.306   1.617
 1546TIP3   OH252703   0.559   3.550   2.623
 1546TIP3    H152704   0.622   3.573   2.693
 1546TIP3    H252705   0.512   3.474   2.661
 1546TIP3   OH252706   0.622   3.494   1.748
 1546TIP3    H152707   0.643   3.543   1.667
 1546TIP3    H252708   0.673   3.542   1.815
 1546TIP3   OH252709   0.366   3.694   1.843
 1546TIP3    H152710   0.445   3.749   1.857
 1546TIP3    H252711   0.337   3.677   1.934
 1546TIP3   OH252712   0.405   3.794   2.755
 1546TIP3    H152713   0.421   3.851   2.833
 1546TIP3    H252714   0.459   3.717   2.777
 1546TIP3   OH252715   0.425   3.395   1.936
 1546TIP3    H152716   0.410   3.464   2.003
 1546TIP3    H252717   0.498   3.434   1.884
 1547TIP3   OH252718  -0.003   3.494   1.589
 1547TIP3    H152719  -0.000   3.569   1.650
 1547TIP3    H252720   0.079   3.446   1.615
 1547TIP3   OH252721   1.031   3.585   2.846
 1547TIP3    H152722   0.936   3.596   2.832
 1547TIP3    H252723   1.057   3.559   2.756
 1547TIP3   OH252724   0.846   3.993   2.289
 1547TIP3    H152725   0.798   3.936   2.226
 1547TIP3    H252726   0.920   3.935   2.316
 1547TIP3   OH252727  -0.350   3.800   1.411
 1547TIP3    H152728  -0.336   3.895   1.427
 1547TIP3    H252729  -0.433   3.799   1.362
 1547TIP3   OH252730  -0.256   3.305   2.286
 1547TIP3    H152731  -0.273   3.302   2.190
 1547TIP3    H252732  -0.289   3.218   2.316
 1547TIP3   OH252733  -0.408   4.312   3.099
 1547TIP3    H152734  -0.421   4.216   3.109
 1547TIP3    H252735  -0.494   4.342   3.066
 1547TIP3   OH252736   0.186   4.329   3.044
 1547TIP3    H152737   0.187   4.345   2.948
 1547TIP3    H252738   0.221   4.238   3.049
 1547TIP3   OH252739   0.783  -4.378   2.807
 1547TIP3    H152740   0.864  -4.333   2.783
 1547TIP3    H252741   0.721  -4.304   2.812
 1547TIP3   OH252742  -0.347   4.025   3.065
 1547TIP3    H152743  -0.269   3.967   3.059
 1547TIP3    H252744  -0.348   4.044   3.161
 1547TIP3   OH252745   0.111   4.160   1.572
 1547TIP3    H152746   0.044   4.118   1.628
 1547TIP3    H252747   0.125   4.094   1.503
 1548TIP3   OH252748   0.036   3.941   2.809
 1548TIP3    H152749  -0.032   4.009   2.828
 1548TIP3    H252750   0.068   3.970   2.723
 1548TIP3   OH252751   0.193   3.957   1.399
 1548TIP3    H152752   0.189   3.970   1.302
 1548TIP3    H252753   0.289   3.956   1.414
 1548TIP3   OH252754   0.553   4.216   3.154
 1548TIP3    H152755   0.642   4.193   3.128
 1548TIP3    H252756   0.517   4.133   3.185
 1548TIP3   OH252757   1.121   4.189   1.321
 1548TIP3    H152758   1.114   4.183   1.224
 1548TIP3    H252759   1.127   4.285   1.337
 1548TIP3   OH252760   0.080   3.662   2.915
 1548TIP3    H152761   0.087   3.597   2.843
 1548TIP3    H252762   0.062   3.744   2.866
 1548TIP3   OH252763   0.114   3.513   2.660
 1548TIP3    H152764   0.164   3.559   2.591
 1548TIP3    H252765   0.023   3.512   2.625
 1548TIP3   OH252766   0.322   4.096   2.682
 1548TIP3    H152767   0.328   4.024   2.619
 1548TIP3    H252768   0.245   4.147   2.653
 1548TIP3   OH252769   0.729   3.849   3.177
 1548TIP3    H152770   0.746   3.755   3.194
 1548TIP3    H252771   0.819   3.884   3.174
 1548TIP3   OH252772   0.826   4.127   3.000
 1548TIP3    H152773   0.802   4.203   2.942
 1548TIP3    H252774   0.921   4.120   2.981
 1548TIP3   OH252775  -0.105   3.853   3.088
 1548TIP3    H152776  -0.155   3.769   3.094
 1548TIP3    H252777  -0.020   3.822   3.053
 1549TIP3   OH252778   0.186   3.244   2.696
 1549TIP3    H152779   0.168   3.339   2.680
 1549TIP3    H252780   0.116   3.201   2.642
 1549TIP3   OH252781   0.313   3.702   3.072
 1549TIP3    H152782   0.281   3.681   3.161
 1549TIP3    H252783   0.233   3.681   3.020
 1549TIP3   OH252784   0.566   3.606   2.960
 1549TIP3    H152785   0.478   3.612   3.001
 1549TIP3    H252786   0.612   3.543   3.019
 1549TIP3   OH252787   0.750   3.454   3.132
 1549TIP3    H152788   0.736   3.359   3.148
 1549TIP3    H252789   0.733   3.494   3.219
 1549TIP3   OH252790  -0.232   3.594   3.079
 1549TIP3    H152791  -0.240   3.523   3.013
 1549TIP3    H252792  -0.254   3.546   3.161
 1549TIP3   OH252793   0.170   3.192   2.977
 1549TIP3    H152794   0.230   3.115   2.983
 1549TIP3    H252795   0.168   3.206   2.881
 1549TIP3   OH252796   0.265   3.379   3.162
 1549TIP3    H152797   0.235   3.319   3.090
 1549TIP3    H252798   0.195   3.446   3.164
 1549TIP3   OH252799   1.199   4.357   1.757
 1549TIP3    H152800   1.295   4.367   1.747
 1549TIP3    H252801   1.190   4.277   1.810
 1549TIP3   OH252802   1.233   4.133   1.923
 1549TIP3    H152803   1.161   4.087   1.970
 1549TIP3    H252804   1.301   4.146   1.992
 1549TIP3   OH252805   1.257   4.093   1.577
 1549TIP3    H152806   1.196   4.117   1.506
 1549TIP3    H252807   1.246   4.168   1.637
 1550TIP3   OH252808   1.085   3.843   1.411
 1550TIP3    H152809   1.105   3.906   1.340
 1550TIP3    H252810   1.061   3.762   1.361
 1550TIP3   OH252811   1.001   3.963   2.011
 1550TIP3    H152812   1.008   3.867   1.998
 1550TIP3    H252813   0.978   3.970   2.105
 1550TIP3   OH252814  -0.507   4.181   2.385
 1550TIP3    H152815  -0.485   4.195   2.291
 1550TIP3    H252816  -0.419   4.172   2.425
 1550TIP3   OH252817   1.098   4.165   2.926
 1550TIP3    H152818   1.169   4.099   2.945
 1550TIP3    H252819   1.146   4.244   2.896
 1550TIP3   OH252820   1.243   3.965   3.033
 1550TIP3    H152821   1.161   3.912   3.019
 1550TIP3    H252822   1.310   3.895   3.041
 1550TIP3   OH252823   1.030   3.579   1.330
 1550TIP3    H152824   1.089   3.529   1.389
 1550TIP3    H252825   0.951   3.524   1.323
 1550TIP3   OH252826   1.013   3.709   1.829
 1550TIP3    H152827   1.037   3.614   1.833
 1550TIP3    H252828   1.093   3.745   1.786
 1550TIP3   OH252829   1.032   3.785   2.364
 1550TIP3    H152830   1.130   3.785   2.361
 1550TIP3    H252831   1.018   3.773   2.459
 1550TIP3   OH252832   1.041   3.844   2.660
 1550TIP3    H152833   0.954   3.885   2.674
 1550TIP3    H252834   1.094   3.920   2.628
 1550TIP3   OH252835  -0.502   3.716   3.015
 1550TIP3    H152836  -0.408   3.691   3.022
 1550TIP3    H252837  -0.544   3.629   3.024
 1551TIP3   OH252838   1.307   3.253   3.179
 1551TIP3    H152839   1.349   3.183   3.125
 1551TIP3    H252840   1.311   3.330   3.120
 1551TIP3   OH252841   1.057   3.430   1.822
 1551TIP3    H152842   1.071   3.395   1.912
 1551TIP3    H252843   0.979   3.378   1.794
 1551TIP3   OH252844  -0.423   3.547   2.299
 1551TIP3    H152845  -0.378   3.461   2.304
 1551TIP3    H252846  -0.354   3.607   2.332
 1551TIP3   OH252847  -0.567   3.815   2.406
 1551TIP3    H152848  -0.511   3.809   2.327
 1551TIP3    H252849  -0.534   3.896   2.446
 1551TIP3   OH252850   1.246   3.458   3.003
 1551TIP3    H152851   1.158   3.499   3.009
 1551TIP3    H252852   1.234   3.402   2.924
 1551TIP3   OH252853   1.255   3.476   1.488
 1551TIP3    H152854   1.286   3.395   1.444
 1551TIP3    H252855   1.337   3.527   1.497
 1551TIP3   OH252856  -0.519   3.451   1.810
 1551TIP3    H152857  -0.614   3.452   1.787
 1551TIP3    H252858  -0.479   3.509   1.742
 1551TIP3   OH252859  -0.513   3.339   2.624
 1551TIP3    H152860  -0.584   3.308   2.681
 1551TIP3    H252861  -0.564   3.388   2.556
 1551TIP3   OH252862   1.132   3.280   2.801
 1551TIP3    H152863   1.051   3.298   2.751
 1551TIP3    H252864   1.154   3.190   2.770
 1551TIP3   OH252865   0.471   3.431   2.245
 1551TIP3    H152866   0.405   3.361   2.262
 1551TIP3    H252867   0.535   3.384   2.190
 1552TIP3   OH252868   0.969   3.237   2.297
 1552TIP3    H152869   1.046   3.276   2.253
 1552TIP3    H252870   0.896   3.260   2.237
 1552TIP3   OH252871   1.176   3.343   2.080
 1552TIP3    H152872   1.248   3.299   2.031
 1552TIP3    H252873   1.211   3.434   2.089
 1552TIP3   OH252874  -0.290   3.300   2.005
 1552TIP3    H152875  -0.377   3.288   1.960
 1552TIP3    H252876  -0.249   3.213   1.989
 1552TIP3   OH252877  -0.408   3.250   1.592
 1552TIP3    H152878  -0.358   3.315   1.540
 1552TIP3    H252879  -0.450   3.305   1.660
 1552TIP3   OH252880   0.156   3.288   1.992
 1552TIP3    H152881   0.250   3.311   1.976
 1552TIP3    H252882   0.156   3.273   2.087
 1552TIP3   OH252883   0.714   3.289   2.132
 1552TIP3    H152884   0.743   3.271   2.042
 1552TIP3    H252885   0.678   3.202   2.158
 1552TIP3   OH252886   0.826   3.289   1.733
 1552TIP3    H152887   0.743   3.336   1.715
 1552TIP3    H252888   0.793   3.198   1.745
 1552TIP3   OH252889  -0.238   3.432   1.436
 1552TIP3    H152890  -0.178   3.376   1.384
 1552TIP3    H252891  -0.178   3.465   1.505
 1552TIP3   OH252892   0.271   3.451   1.697
 1552TIP3    H152893   0.306   3.393   1.765
 1552TIP3    H252894   0.292   3.538   1.735
 1552TIP3   OH252895  -0.311   3.324   2.957
 1552TIP3    H152896  -0.350   3.243   2.992
 1552TIP3    H252897  -0.218   3.312   2.983
 1553TIP3   OH252898  -0.072   3.263   3.129
 1553TIP3    H152899   0.010   3.229   3.089
 1553TIP3    H252900  -0.106   3.183   3.173
 1553TIP3   OH252901   0.740   3.175   3.147
 1553TIP3    H152902   0.743   3.132   3.235
 1553TIP3    H252903   0.834   3.171   3.121
 1553TIP3   OH252904   2.498   4.205   2.012
 1553TIP3    H152905   2.467   4.296   2.007
 1553TIP3    H252906   2.425   4.160   1.966
 1553TIP3   OH252907   2.377   4.136   2.339
 1553TIP3    H152908   2.381   4.082   2.419
 1553TIP3    H252909   2.350   4.072   2.272
 1553TIP3   OH252910   1.624   4.086   2.503
 1553TIP3    H152911   1.617   4.008   2.561
 1553TIP3    H252912   1.700   4.130   2.544
 1553TIP3   OH252913   1.393   3.881   1.891
 1553TIP3    H152914   1.355   3.969   1.901
 1553TIP3    H252915   1.321   3.833   1.848
 1553TIP3   OH252916   1.472   4.127   2.066
 1553TIP3    H152917   1.481   4.056   2.132
 1553TIP3    H252918   1.565   4.136   2.041
 1553TIP3   OH252919   3.102   3.520   2.460
 1553TIP3    H152920   3.124   3.585   2.528
 1553TIP3    H252921   3.157   3.550   2.386
 1553TIP3   OH252922   2.563   3.804   2.447
 1553TIP3    H152923   2.574   3.707   2.449
 1553TIP3    H252924   2.551   3.819   2.351
 1553TIP3   OH252925   1.859   3.606   2.153
 1553TIP3    H152926   1.872   3.691   2.106
 1553TIP3    H252927   1.823   3.553   2.079
 1554TIP3   OH252928   2.643   3.623   1.984
 1554TIP3    H152929   2.702   3.580   2.050
 1554TIP3    H252930   2.708   3.668   1.928
 1554TIP3   OH252931   1.519   3.872   2.206
 1554TIP3    H152932   1.589   3.830   2.259
 1554TIP3    H252933   1.533   3.830   2.119
 1554TIP3   OH252934   2.066   4.019   2.154
 1554TIP3    H152935   2.134   3.959   2.192
 1554TIP3    H252936   2.012   3.956   2.102
 1554TIP3   OH252937   3.180   3.661   2.704
 1554TIP3    H152938   3.118   3.731   2.677
 1554TIP3    H252939   3.157   3.653   2.798
 1554TIP3   OH252940   1.738   3.486   2.569
 1554TIP3    H152941   1.697   3.534   2.496
 1554TIP3    H252942   1.672   3.499   2.639
 1554TIP3   OH252943   1.993   4.282   2.543
 1554TIP3    H152944   1.917   4.341   2.553
 1554TIP3    H252945   2.066   4.344   2.531
 1554TIP3   OH252946   2.827   3.546   2.187
 1554TIP3    H152947   2.786   3.486   2.250
 1554TIP3    H252948   2.875   3.607   2.245
 1554TIP3   OH252949   1.698   3.689   2.362
 1554TIP3    H152950   1.763   3.746   2.408
 1554TIP3    H252951   1.755   3.652   2.291
 1554TIP3   OH252952   2.840   3.466   2.572
 1554TIP3    H152953   2.762   3.501   2.524
 1554TIP3    H252954   2.911   3.479   2.506
 1554TIP3   OH252955   2.152   3.233   2.278
 1554TIP3    H152956   2.129   3.138   2.272
 1554TIP3    H252957   2.069   3.270   2.315
 1555TIP3   OH252958   2.349   4.140   1.752
 1555TIP3    H152959   2.286   4.189   1.696
 1555TIP3    H252960   2.425   4.133   1.691
 1555TIP3   OH252961   2.390   3.941   1.470
 1555TIP3    H152962   2.463   3.979   1.522
 1555TIP3    H252963   2.439   3.892   1.402
 1555TIP3   OH252964   3.103   4.055   2.574
 1555TIP3    H152965   3.037   4.127   2.588
 1555TIP3    H252966   3.154   4.095   2.501
 1555TIP3   OH252967   2.721   4.141   1.853
 1555TIP3    H152968   2.655   4.163   1.921
 1555TIP3    H252969   2.786   4.089   1.903
 1555TIP3   OH252970   2.695   3.981   2.745
 1555TIP3    H152971   2.696   4.059   2.802
 1555TIP3    H252972   2.637   4.014   2.674
 1555TIP3   OH252973   1.876   4.212   2.043
 1555TIP3    H152974   1.853   4.181   1.954
 1555TIP3    H252975   1.950   4.153   2.065
 1555TIP3   OH252976   1.931   4.069   2.393
 1555TIP3    H152977   1.986   4.073   2.312
 1555TIP3    H252978   1.963   4.144   2.446
 1555TIP3   OH252979   2.602   4.073   1.616
 1555TIP3    H152980   2.659   4.102   1.691
 1555TIP3    H252981   2.648   4.119   1.541
 1555TIP3   OH252982   1.713   4.148   2.772
 1555TIP3    H152983   1.722   4.211   2.848
 1555TIP3    H252984   1.617   4.133   2.773
 1555TIP3   OH252985   2.952   3.246   1.559
 1555TIP3    H152986   2.864   3.255   1.599
 1555TIP3    H252987   2.987   3.337   1.565
 1556TIP3   OH252988   1.763   4.088   1.796
 1556TIP3    H152989   1.746   4.166   1.739
 1556TIP3    H252990   1.698   4.025   1.763
 1556TIP3   OH252991   1.326   4.290   2.659
 1556TIP3    H152992   1.365   4.326   2.578
 1556TIP3    H252993   1.405   4.273   2.712
 1556TIP3   OH252994   2.894   3.836   2.978
 1556TIP3    H152995   2.841   3.875   2.907
 1556TIP3    H252996   2.899   3.743   2.948
 1556TIP3   OH252997   1.910   3.348   2.369
 1556TIP3    H152998   1.828   3.340   2.317
 1556TIP3    H252999   1.885   3.421   2.428
 1556TIP3   OH253000   2.345   3.310   2.737
 1556TIP3    H153001   2.396   3.250   2.794
 1556TIP3    H253002   2.254   3.275   2.744
 1556TIP3   OH253003   2.666   3.686   2.789
 1556TIP3    H153004   2.599   3.673   2.859
 1556TIP3    H253005   2.655   3.780   2.766
 1556TIP3   OH253006   2.742   4.175   1.410
 1556TIP3    H153007   2.735   4.160   1.314
 1556TIP3    H253008   2.831   4.215   1.417
 1556TIP3   OH253009   2.328   3.556   1.459
 1556TIP3    H153010   2.277   3.544   1.541
 1556TIP3    H253011   2.286   3.490   1.402
 1556TIP3   OH253012   1.898   3.824   2.513
 1556TIP3    H153013   1.832   3.837   2.584
 1556TIP3    H253014   1.906   3.914   2.475
 1556TIP3   OH253015   1.890   3.835   1.996
 1556TIP3    H153016   1.794   3.828   1.980
 1556TIP3    H253017   1.924   3.815   1.907
 1557TIP3   OH253018   2.451   3.900   1.878
 1557TIP3    H153019   2.404   3.975   1.837
 1557TIP3    H253020   2.516   3.879   1.809
 1557TIP3   OH253021   2.370   3.921   3.018
 1557TIP3    H153022   2.319   3.845   3.051
 1557TIP3    H253023   2.458   3.904   3.056
 1557TIP3   OH253024   2.536   3.831   2.151
 1557TIP3    H153025   2.507   3.885   2.075
 1557TIP3    H253026   2.559   3.749   2.103
 1557TIP3   OH253027   1.637   3.840   2.688
 1557TIP3    H153028   1.651   3.879   2.775
 1557TIP3    H253029   1.599   3.754   2.711
 1557TIP3   OH253030   1.971   3.603   1.349
 1557TIP3    H153031   1.934   3.567   1.433
 1557TIP3    H253032   1.892   3.616   1.296
 1557TIP3   OH253033   1.312   3.589   2.057
 1557TIP3    H153034   1.375   3.589   2.132
 1557TIP3    H253035   1.365   3.552   1.985
 1557TIP3   OH253036   1.473   3.634   1.628
 1557TIP3    H153037   1.528   3.681   1.562
 1557TIP3    H253038   1.404   3.699   1.645
 1557TIP3   OH253039   2.434   3.997   2.598
 1557TIP3    H153040   2.486   3.931   2.547
 1557TIP3    H253041   2.403   3.943   2.672
 1557TIP3   OH253042   2.167   3.595   2.101
 1557TIP3    H153043   2.072   3.591   2.121
 1557TIP3    H253044   2.206   3.573   2.188
 1557TIP3   OH253045   1.621   3.716   1.969
 1557TIP3    H153046   1.541   3.744   1.921
 1557TIP3    H253047   1.651   3.638   1.919
 1558TIP3   OH253048   1.987   3.751   1.735
 1558TIP3    H153049   2.083   3.759   1.739
 1558TIP3    H253050   1.961   3.810   1.662
 1558TIP3   OH253051   2.606   3.507   2.403
 1558TIP3    H153052   2.540   3.508   2.476
 1558TIP3    H253053   2.550   3.472   2.331
 1558TIP3   OH253054   1.830   3.876   1.513
 1558TIP3    H153055   1.774   3.844   1.441
 1558TIP3    H253056   1.912   3.897   1.465
 1558TIP3   OH253057   1.726   4.317   2.979
 1558TIP3    H153058   1.780   4.366   3.043
 1558TIP3    H253059   1.644   4.304   3.031
 1558TIP3   OH253060   2.268   3.851   2.284
 1558TIP3    H153061   2.340   3.806   2.237
 1558TIP3    H253062   2.252   3.789   2.358
 1558TIP3   OH253063   1.798   3.490   1.900
 1558TIP3    H153064   1.742   3.411   1.914
 1558TIP3    H253065   1.878   3.452   1.861
 1558TIP3   OH253066   2.166   3.695   2.505
 1558TIP3    H153067   2.086   3.751   2.507
 1558TIP3    H253068   2.213   3.722   2.586
 1558TIP3   OH253069   2.151   4.360   1.704
 1558TIP3    H153070   2.095   4.297   1.655
 1558TIP3    H253071   2.164   4.319   1.790
 1558TIP3   OH253072   2.926   4.267   2.564
 1558TIP3    H153073   2.951   4.312   2.482
 1558TIP3    H253074   2.831   4.254   2.545
 1558TIP3   OH253075   2.595   3.616   1.473
 1558TIP3    H153076   2.497   3.613   1.469
 1558TIP3    H253077   2.613   3.689   1.536
 1559TIP3   OH253078   2.663   3.798   1.682
 1559TIP3    H153079   2.752   3.782   1.719
 1559TIP3    H253080   2.673   3.885   1.639
 1559TIP3   OH253081   1.681   4.216   2.241
 1559TIP3    H153082   1.765   4.236   2.194
 1559TIP3    H253083   1.711   4.175   2.323
 1559TIP3   OH253084   1.438   4.075   2.809
 1559TIP3    H153085   1.433   4.036   2.898
 1559TIP3    H253086   1.359   4.040   2.765
 1559TIP3   OH253087   2.115   4.052   3.005
 1559TIP3    H153088   2.078   4.027   2.919
 1559TIP3    H253089   2.209   4.028   2.993
 1559TIP3   OH253090   3.121   3.797   1.653
 1559TIP3    H153091   3.066   3.778   1.574
 1559TIP3    H253092   3.134   3.893   1.638
 1559TIP3   OH253093   2.668   4.180   2.432
 1559TIP3    H153094   2.578   4.183   2.398
 1559TIP3    H253095   2.716   4.135   2.361
 1559TIP3   OH253096   1.523   4.095   1.457
 1559TIP3    H153097   1.583   4.154   1.505
 1559TIP3    H253098   1.438   4.113   1.503
 1559TIP3   OH253099   1.548   3.566   2.769
 1559TIP3    H153100   1.458   3.590   2.740
 1559TIP3    H253101   1.534   3.478   2.807
 1559TIP3   OH253102   1.699  -4.388   1.640
 1559TIP3    H153103   1.610  -4.352   1.658
 1559TIP3    H253104   1.746  -4.306   1.620
 1559TIP3   OH253105   2.446   3.550   2.622
 1559TIP3    H153106   2.509   3.572   2.693
 1559TIP3    H253107   2.395   3.476   2.661
 1560TIP3   OH253108   2.511   3.492   1.748
 1560TIP3    H153109   2.527   3.545   1.668
 1560TIP3    H253110   2.556   3.544   1.816
 1560TIP3   OH253111   2.254   3.691   1.843
 1560TIP3    H153112   2.329   3.752   1.858
 1560TIP3    H253113   2.222   3.676   1.934
 1560TIP3   OH253114   2.292   3.793   2.759
 1560TIP3    H153115   2.297   3.841   2.843
 1560TIP3    H253116   2.340   3.711   2.779
 1560TIP3   OH253117   2.312   3.394   1.938
 1560TIP3    H153118   2.290   3.465   2.001
 1560TIP3    H253119   2.383   3.435   1.885
 1560TIP3   OH253120   1.883   3.494   1.588
 1560TIP3    H153121   1.885   3.570   1.649
 1560TIP3    H253122   1.964   3.446   1.615
 1560TIP3   OH253123   2.917   3.582   2.843
 1560TIP3    H153124   2.821   3.597   2.829
 1560TIP3    H253125   2.941   3.562   2.751
 1560TIP3   OH253126   2.770   3.966   2.242
 1560TIP3    H153127   2.685   3.924   2.222
 1560TIP3    H253128   2.816   3.897   2.295
 1560TIP3   OH253129   1.536   3.800   1.410
 1560TIP3    H153130   1.551   3.894   1.427
 1560TIP3    H253131   1.452   3.800   1.363
 1560TIP3   OH253132   1.630   3.305   2.286
 1560TIP3    H153133   1.613   3.302   2.190
 1560TIP3    H253134   1.597   3.217   2.316
 1560TIP3   OH253135   1.481   4.307   3.089
 1560TIP3    H153136   1.460   4.212   3.097
 1560TIP3    H253137   1.397   4.350   3.072
 1561TIP3   OH253138   2.072   4.330   3.048
 1561TIP3    H153139   2.075   4.349   2.952
 1561TIP3    H253140   2.104   4.238   3.050
 1561TIP3   OH253141   2.671  -4.374   2.822
 1561TIP3    H153142   2.750  -4.332   2.784
 1561TIP3    H253143   2.601  -4.314   2.793
 1561TIP3   OH253144   1.538   4.024   3.070
 1561TIP3    H153145   1.616   3.966   3.061
 1561TIP3    H253146   1.540   4.044   3.165
 1561TIP3   OH253147   1.995   4.161   1.575
 1561TIP3    H153148   1.928   4.118   1.630
 1561TIP3    H253149   2.010   4.094   1.505
 1561TIP3   OH253150   1.913   3.935   2.808
 1561TIP3    H153151   1.852   4.011   2.820
 1561TIP3    H253152   1.971   3.968   2.737
 1561TIP3   OH253153   2.078   3.957   1.398
 1561TIP3    H153154   2.075   3.971   1.302
 1561TIP3    H253155   2.174   3.957   1.415
 1561TIP3   OH253156   2.441   4.218   3.160
 1561TIP3    H153157   2.527   4.193   3.122
 1561TIP3    H253158   2.403   4.133   3.182
 1561TIP3   OH253159   3.011   4.189   1.320
 1561TIP3    H153160   2.997   4.184   1.224
 1561TIP3    H253161   3.010   4.285   1.339
 1561TIP3   OH253162   1.969   3.664   2.915
 1561TIP3    H153163   1.972   3.598   2.844
 1561TIP3    H253164   1.946   3.745   2.865
 1561TIP3   OH253165   2.000   3.511   2.661
 1561TIP3    H153166   2.050   3.562   2.595
 1561TIP3    H253167   1.908   3.513   2.624
 1562TIP3   OH253168   2.151   4.069   2.690
 1562TIP3    H153169   2.234   4.056   2.642
 1562TIP3    H253170   2.118   4.152   2.653
 1562TIP3   OH253171   2.614   3.851   3.174
 1562TIP3    H153172   2.632   3.759   3.198
 1562TIP3    H253173   2.703   3.888   3.173
 1562TIP3   OH253174   2.710   4.138   3.015
 1562TIP3    H153175   2.685   4.209   2.951
 1562TIP3    H253176   2.800   4.117   2.984
 1562TIP3   OH253177   1.783   3.850   3.095
 1562TIP3    H153178   1.732   3.768   3.094
 1562TIP3    H253179   1.864   3.823   3.049
 1562TIP3   OH253180   2.073   3.244   2.695
 1562TIP3    H153181   2.052   3.339   2.678
 1562TIP3    H253182   2.005   3.199   2.642
 1562TIP3   OH253183   2.200   3.700   3.073
 1562TIP3    H153184   2.161   3.681   3.161
 1562TIP3    H253185   2.121   3.682   3.018
 1562TIP3   OH253186   2.451   3.608   2.962
 1562TIP3    H153187   2.360   3.617   2.996
 1562TIP3    H253188   2.488   3.543   3.022
 1562TIP3   OH253189   2.654   3.426   3.153
 1562TIP3    H153190   2.577   3.369   3.164
 1562TIP3    H253191   2.631   3.500   3.215
 1562TIP3   OH253192   1.655   3.594   3.079
 1562TIP3    H153193   1.645   3.524   3.012
 1562TIP3    H253194   1.632   3.546   3.160
 1562TIP3   OH253195   2.058   3.193   2.977
 1562TIP3    H153196   2.116   3.115   2.981
 1562TIP3    H253197   2.052   3.206   2.881
 1563TIP3   OH253198   2.154   3.381   3.160
 1563TIP3    H153199   2.123   3.319   3.091
 1563TIP3    H253200   2.082   3.445   3.164
 1563TIP3   OH253201   3.090   4.364   1.762
 1563TIP3    H153202   3.185   4.360   1.744
 1563TIP3    H253203   3.072   4.279   1.806
 1563TIP3   OH253204   3.126   4.132   1.924
 1563TIP3    H153205   3.049   4.088   1.964
 1563TIP3    H253206   3.185   4.148   2.000
 1563TIP3   OH253207   3.144   4.094   1.576
 1563TIP3    H153208   3.081   4.115   1.505
 1563TIP3    H253209   3.130   4.167   1.637
 1563TIP3   OH253210   2.973   3.842   1.410
 1563TIP3    H153211   2.991   3.906   1.340
 1563TIP3    H253212   2.947   3.762   1.361
 1563TIP3   OH253213   2.901   3.965   2.000
 1563TIP3    H153214   2.897   3.869   1.985
 1563TIP3    H253215   2.864   3.973   2.090
 1563TIP3   OH253216   1.389   4.193   2.385
 1563TIP3    H153217   1.408   4.197   2.290
 1563TIP3    H253218   1.475   4.166   2.421
 1563TIP3   OH253219   2.986   4.161   2.922
 1563TIP3    H153220   3.059   4.101   2.949
 1563TIP3    H253221   3.030   4.244   2.897
 1563TIP3   OH253222   3.129   3.963   3.037
 1563TIP3    H153223   3.048   3.911   3.018
 1563TIP3    H253224   3.197   3.893   3.036
 1563TIP3   OH253225   2.916   3.578   1.329
 1563TIP3    H153226   2.973   3.528   1.390
 1563TIP3    H253227   2.836   3.525   1.322
 1564TIP3   OH253228   2.899   3.706   1.827
 1564TIP3    H153229   2.923   3.611   1.830
 1564TIP3    H253230   2.979   3.742   1.784
 1564TIP3   OH253231   2.921   3.764   2.368
 1564TIP3    H153232   3.017   3.779   2.366
 1564TIP3    H253233   2.904   3.770   2.464
 1564TIP3   OH253234   2.940   3.837   2.652
 1564TIP3    H153235   2.852   3.873   2.675
 1564TIP3    H253236   2.988   3.918   2.627
 1564TIP3   OH253237   1.385   3.717   3.020
 1564TIP3    H153238   1.478   3.690   3.019
 1564TIP3    H253239   1.340   3.630   3.024
 1564TIP3   OH253240   3.164   3.236   3.166
 1564TIP3    H153241   3.220   3.176   3.112
 1564TIP3    H253242   3.172   3.319   3.115
 1564TIP3   OH253243   2.945   3.427   1.822
 1564TIP3    H153244   2.954   3.394   1.913
 1564TIP3    H253245   2.865   3.378   1.792
 1564TIP3   OH253246   1.461   3.546   2.300
 1564TIP3    H153247   1.509   3.461   2.305
 1564TIP3    H253248   1.530   3.607   2.332
 1564TIP3   OH253249   1.317   3.813   2.401
 1564TIP3    H153250   1.378   3.812   2.326
 1564TIP3    H253251   1.348   3.892   2.448
 1564TIP3   OH253252   3.137   3.463   3.004
 1564TIP3    H153253   3.048   3.501   3.013
 1564TIP3    H253254   3.119   3.400   2.931
 1564TIP3   OH253255   3.142   3.474   1.491
 1564TIP3    H153256   3.171   3.395   1.443
 1564TIP3    H253257   3.222   3.528   1.494
 1565TIP3   OH253258   1.367   3.448   1.807
 1565TIP3    H153259   1.272   3.454   1.786
 1565TIP3    H253260   1.407   3.509   1.742
 1565TIP3   OH253261   1.371   3.342   2.625
 1565TIP3    H153262   1.301   3.309   2.681
 1565TIP3    H253263   1.321   3.387   2.555
 1565TIP3   OH253264   3.011   3.268   2.829
 1565TIP3    H153265   2.930   3.294   2.783
 1565TIP3    H253266   3.032   3.182   2.786
 1565TIP3   OH253267   2.361   3.429   2.250
 1565TIP3    H153268   2.291   3.362   2.264
 1565TIP3    H253269   2.418   3.384   2.187
 1565TIP3   OH253270   2.855   3.235   2.296
 1565TIP3    H153271   2.930   3.277   2.251
 1565TIP3    H253272   2.780   3.259   2.239
 1565TIP3   OH253273   3.064   3.341   2.083
 1565TIP3    H153274   3.134   3.300   2.029
 1565TIP3    H253275   3.095   3.434   2.090
 1565TIP3   OH253276   1.595   3.300   2.005
 1565TIP3    H153277   1.509   3.288   1.960
 1565TIP3    H253278   1.637   3.213   1.989
 1565TIP3   OH253279   1.477   3.250   1.592
 1565TIP3    H153280   1.528   3.316   1.540
 1565TIP3    H253281   1.436   3.305   1.661
 1565TIP3   OH253282   2.042   3.286   1.991
 1565TIP3    H153283   2.135   3.312   1.978
 1565TIP3    H253284   2.039   3.274   2.087
 1565TIP3   OH253285   2.604   3.287   2.134
 1565TIP3    H153286   2.627   3.271   2.042
 1565TIP3    H253287   2.562   3.202   2.158
 1566TIP3   OH253288   2.713   3.288   1.731
 1566TIP3    H153289   2.631   3.339   1.717
 1566TIP3    H253290   2.678   3.198   1.745
 1566TIP3   OH253291   1.647   3.432   1.435
 1566TIP3    H153292   1.708   3.376   1.384
 1566TIP3    H253293   1.707   3.465   1.505
 1566TIP3   OH253294   2.157   3.451   1.696
 1566TIP3    H153295   2.191   3.393   1.766
 1566TIP3    H253296   2.177   3.538   1.735
 1566TIP3   OH253297   1.574   3.325   2.958
 1566TIP3    H153298   1.535   3.243   2.992
 1566TIP3    H253299   1.667   3.312   2.981
 1566TIP3   OH253300   1.816   3.264   3.132
 1566TIP3    H153301   1.896   3.228   3.090
 1566TIP3    H253302   1.778   3.184   3.172
 1566TIP3   OH253303   2.708   3.147   3.145
 1566TIP3    H153304   2.644   3.142   3.219
 1566TIP3    H253305   2.703   3.239   3.115
 1566TIP3   OH253306   4.195   4.093   2.349
 1566TIP3    H153307   4.266   4.120   2.410
 1566TIP3    H253308   4.238   4.094   2.264
 1566TIP3   OH253309   3.509   4.083   2.502
 1566TIP3    H153310   3.507   4.009   2.566
 1566TIP3    H253311   3.584   4.134   2.536
 1566TIP3   OH253312   3.279   3.884   1.893
 1566TIP3    H153313   3.237   3.971   1.901
 1566TIP3    H253314   3.209   3.832   1.852
 1566TIP3   OH253315   3.368   4.126   2.081
 1566TIP3    H153316   3.375   4.049   2.141
 1566TIP3    H253317   3.452   4.119   2.035
 1567TIP3   OH253318   3.739   3.605   2.160
 1567TIP3    H153319   3.756   3.690   2.114
 1567TIP3    H253320   3.708   3.552   2.084
 1567TIP3   OH253321   3.422   3.869   2.210
 1567TIP3    H153322   3.480   3.815   2.264
 1567TIP3    H253323   3.431   3.826   2.123
 1567TIP3   OH253324   3.954   4.014   2.152
 1567TIP3    H153325   4.023   3.957   2.193
 1567TIP3    H253326   3.901   3.947   2.104
 1567TIP3   OH253327   3.893   4.266   2.548
 1567TIP3    H153328   3.816   4.323   2.557
 1567TIP3    H253329   3.964   4.333   2.547
 1567TIP3   OH253330   3.588   3.660   2.385
 1567TIP3    H153331   3.633   3.743   2.410
 1567TIP3    H253332   3.634   3.636   2.301
 1567TIP3   OH253333   4.005   3.247   2.289
 1567TIP3    H153334   4.005   3.149   2.287
 1567TIP3    H253335   3.927   3.263   2.343
 1567TIP3   OH253336   4.268   4.123   1.745
 1567TIP3    H153337   4.198   4.189   1.727
 1567TIP3    H253338   4.327   4.142   1.672
 1567TIP3   OH253339   4.286   3.954   1.477
 1567TIP3    H153340   4.374   3.961   1.516
 1567TIP3    H253341   4.297   3.895   1.402
 1567TIP3   OH253342   3.759   4.204   2.047
 1567TIP3    H153343   3.741   4.178   1.956
 1567TIP3    H253344   3.840   4.154   2.067
 1567TIP3   OH253345   3.809   4.073   2.382
 1567TIP3    H153346   3.874   4.074   2.309
 1567TIP3    H253347   3.846   4.142   2.441
 1568TIP3   OH253348   3.596   4.147   2.773
 1568TIP3    H153349   3.610   4.211   2.846
 1568TIP3    H253350   3.499   4.142   2.772
 1568TIP3   OH253351   3.647   4.088   1.796
 1568TIP3    H153352   3.631   4.167   1.740
 1568TIP3    H253353   3.583   4.025   1.761
 1568TIP3   OH253354   3.244   4.311   2.675
 1568TIP3    H153355   3.244   4.294   2.579
 1568TIP3    H253356   3.276   4.226   2.711
 1568TIP3   OH253357   4.231   3.284   2.793
 1568TIP3    H153358   4.249   3.214   2.857
 1568TIP3    H253359   4.139   3.263   2.767
 1568TIP3   OH253360   4.234   3.561   1.467
 1568TIP3    H153361   4.170   3.548   1.537
 1568TIP3    H253362   4.202   3.498   1.401
 1568TIP3   OH253363   3.764   3.824   2.511
 1568TIP3    H153364   3.720   3.858   2.592
 1568TIP3    H253365   3.791   3.909   2.469
 1568TIP3   OH253366   3.775   3.831   1.998
 1568TIP3    H153367   3.679   3.826   1.981
 1568TIP3    H253368   3.810   3.817   1.908
 1568TIP3   OH253369   4.270   3.891   1.949
 1568TIP3    H153370   4.262   3.983   1.915
 1568TIP3    H253371   4.364   3.883   1.969
 1568TIP3   OH253372   3.521   3.838   2.686
 1568TIP3    H153373   3.538   3.880   2.771
 1568TIP3    H253374   3.478   3.755   2.713
 1568TIP3   OH253375   3.863   3.605   1.351
 1568TIP3    H153376   3.820   3.567   1.430
 1568TIP3    H253377   3.788   3.621   1.293
 1569TIP3   OH253378   3.201   3.593   2.059
 1569TIP3    H153379   3.264   3.579   2.133
 1569TIP3    H253380   3.247   3.553   1.983
 1569TIP3   OH253381   3.361   3.635   1.630
 1569TIP3    H153382   3.413   3.682   1.561
 1569TIP3    H253383   3.289   3.698   1.645
 1569TIP3   OH253384   4.313   3.984   2.605
 1569TIP3    H153385   4.374   3.915   2.572
 1569TIP3    H253386   4.270   3.933   2.676
 1569TIP3   OH253387   4.049   3.574   2.102
 1569TIP3    H153388   3.955   3.586   2.123
 1569TIP3    H253389   4.090   3.601   2.186
 1569TIP3   OH253390   3.507   3.717   1.970
 1569TIP3    H153391   3.426   3.744   1.923
 1569TIP3    H253392   3.535   3.638   1.920
 1569TIP3   OH253393   3.874   3.747   1.732
 1569TIP3    H153394   3.969   3.765   1.738
 1569TIP3    H253395   3.843   3.808   1.662
 1569TIP3   OH253396   3.722   3.876   1.513
 1569TIP3    H153397   3.663   3.847   1.441
 1569TIP3    H253398   3.803   3.893   1.464
 1569TIP3   OH253399   3.608   4.315   2.980
 1569TIP3    H153400   3.669   4.361   3.040
 1569TIP3    H253401   3.530   4.305   3.038
 1569TIP3   OH253402   4.127   3.798   2.267
 1569TIP3    H153403   4.205   3.790   2.210
 1569TIP3    H253404   4.172   3.802   2.354
 1569TIP3   OH253405   3.684   3.487   1.905
 1569TIP3    H153406   3.627   3.409   1.916
 1569TIP3    H253407   3.760   3.451   1.857
 1570TIP3   OH253408   4.015   3.653   2.552
 1570TIP3    H153409   3.977   3.729   2.506
 1570TIP3    H253410   4.094   3.694   2.591
 1570TIP3   OH253411   4.072   4.327   1.709
 1570TIP3    H153412   3.997   4.289   1.658
 1570TIP3    H253413   4.039   4.325   1.800
 1570TIP3   OH253414   3.595   4.239   2.258
 1570TIP3    H153415   3.663   4.237   2.187
 1570TIP3    H253416   3.622   4.163   2.311
 1570TIP3   OH253417   3.311   4.080   2.801
 1570TIP3    H153418   3.319   4.042   2.891
 1570TIP3    H253419   3.236   4.031   2.763
 1570TIP3   OH253420   4.000   4.015   3.011
 1570TIP3    H153421   3.974   4.021   2.918
 1570TIP3    H253422   4.090   4.054   3.005
 1570TIP3   OH253423   3.409   4.093   1.458
 1570TIP3    H153424   3.467   4.155   1.505
 1570TIP3    H253425   3.323   4.111   1.502
 1570TIP3   OH253426   3.461   3.552   2.739
 1570TIP3    H153427   3.370   3.580   2.719
 1570TIP3    H253428   3.442   3.471   2.791
 1570TIP3   OH253429   3.586  -4.386   1.644
 1570TIP3    H153430   3.494  -4.353   1.655
 1570TIP3    H253431   3.630  -4.305   1.615
 1570TIP3   OH253432   4.323   3.592   2.671
 1570TIP3    H153433   4.395   3.534   2.696
 1570TIP3    H253434   4.267   3.534   2.619
 1570TIP3   OH253435   4.142   3.680   1.842
 1570TIP3    H153436   4.200   3.754   1.871
 1570TIP3    H253437   4.103   3.659   1.929
 1571TIP3   OH253438   4.176   3.796   2.779
 1571TIP3    H153439   4.194   3.830   2.868
 1571TIP3    H253440   4.244   3.726   2.771
 1571TIP3   OH253441   4.195   3.388   1.964
 1571TIP3    H153442   4.166   3.469   2.011
 1571TIP3    H253443   4.272   3.421   1.913
 1571TIP3   OH253444   3.767   3.494   1.589
 1571TIP3    H153445   3.772   3.573   1.646
 1571TIP3    H253446   3.849   3.447   1.612
 1571TIP3   OH253447   3.421   3.800   1.412
 1571TIP3    H153448   3.435   3.895   1.427
 1571TIP3    H253449   3.339   3.799   1.361
 1571TIP3   OH253450   3.560   3.309   2.309
 1571TIP3    H153451   3.549   3.318   2.213
 1571TIP3    H253452   3.512   3.226   2.327
 1571TIP3   OH253453   3.364   4.307   3.097
 1571TIP3    H153454   3.345   4.211   3.094
 1571TIP3    H253455   3.284   4.348   3.061
 1571TIP3   OH253456   3.948   4.324   3.049
 1571TIP3    H153457   3.957   4.344   2.954
 1571TIP3    H253458   4.015   4.253   3.058
 1571TIP3   OH253459   3.424   4.025   3.064
 1571TIP3    H153460   3.496   3.961   3.058
 1571TIP3    H253461   3.424   4.046   3.159
 1571TIP3   OH253462   3.877   4.163   1.580
 1571TIP3    H153463   3.811   4.114   1.630
 1571TIP3    H253464   3.899   4.100   1.509
 1571TIP3   OH253465   3.793   3.928   2.794
 1571TIP3    H153466   3.743   4.008   2.819
 1571TIP3    H253467   3.863   3.967   2.738
 1572TIP3   OH253468   3.977   3.955   1.401
 1572TIP3    H153469   3.971   3.967   1.304
 1572TIP3    H253470   4.072   3.970   1.416
 1572TIP3   OH253471   3.833   3.640   2.862
 1572TIP3    H153472   3.912   3.608   2.818
 1572TIP3    H253473   3.839   3.737   2.849
 1572TIP3   OH253474   4.037   4.051   2.670
 1572TIP3    H153475   4.126   4.045   2.629
 1572TIP3    H253476   4.016   4.144   2.652
 1572TIP3   OH253477   3.682   3.834   3.104
 1572TIP3    H153478   3.625   3.757   3.085
 1572TIP3    H253479   3.754   3.823   3.040
 1572TIP3   OH253480   3.950   3.283   2.711
 1572TIP3    H153481   3.950   3.370   2.673
 1572TIP3    H253482   3.894   3.232   2.648
 1572TIP3   OH253483   4.112   3.704   3.077
 1572TIP3    H153484   4.080   3.674   3.163
 1572TIP3    H253485   4.037   3.690   3.020
 1572TIP3   OH253486   3.531   3.594   3.069
 1572TIP3    H153487   3.524   3.516   3.010
 1572TIP3    H253488   3.513   3.554   3.156
 1572TIP3   OH253489   3.970   3.201   3.013
 1572TIP3    H153490   4.040   3.133   3.001
 1572TIP3    H253491   3.962   3.232   2.921
 1572TIP3   OH253492   3.273   4.188   2.396
 1572TIP3    H153493   3.281   4.203   2.301
 1572TIP3    H253494   3.364   4.161   2.421
 1572TIP3   OH253495   3.279   3.717   3.008
 1572TIP3    H153496   3.371   3.688   3.023
 1572TIP3    H253497   3.232   3.632   3.016
 1573TIP3   OH253498   3.353   3.530   2.292
 1573TIP3    H153499   3.402   3.447   2.302
 1573TIP3    H253500   3.411   3.591   2.339
 1573TIP3   OH253501   3.209   3.811   2.403
 1573TIP3    H153502   3.262   3.816   2.321
 1573TIP3    H253503   3.236   3.892   2.448
 1573TIP3   OH253504   3.252   3.452   1.812
 1573TIP3    H153505   3.158   3.452   1.788
 1573TIP3    H253506   3.292   3.509   1.743
 1573TIP3   OH253507   3.243   3.329   2.631
 1573TIP3    H153508   3.169   3.303   2.688
 1573TIP3    H253509   3.197   3.384   2.565
 1573TIP3   OH253510   4.260   3.378   2.264
 1573TIP3    H153511   4.167   3.353   2.258
 1573TIP3    H253512   4.291   3.367   2.173
 1573TIP3   OH253513   3.483   3.302   2.018
 1573TIP3    H153514   3.397   3.295   1.973
 1573TIP3    H253515   3.521   3.214   2.000
 1573TIP3   OH253516   3.365   3.249   1.593
 1573TIP3    H153517   3.413   3.315   1.540
 1573TIP3    H253518   3.320   3.304   1.659
 1573TIP3   OH253519   3.933   3.283   1.992
 1573TIP3    H153520   4.026   3.313   1.982
 1573TIP3    H253521   3.928   3.274   2.088
 1573TIP3   OH253522   3.532   3.431   1.436
 1573TIP3    H153523   3.593   3.377   1.382
 1573TIP3    H253524   3.592   3.465   1.504
 1573TIP3   OH253525   4.068   3.452   1.692
 1573TIP3    H153526   4.065   3.390   1.767
 1573TIP3    H253527   4.060   3.538   1.736
 1574TIP3   OH253528   3.461   3.330   2.961
 1574TIP3    H153529   3.417   3.248   2.988
 1574TIP3    H253530   3.554   3.308   2.973
 1574TIP3   OH253531   3.719   3.255   3.155
 1574TIP3    H153532   3.780   3.226   3.085
 1574TIP3    H253533   3.659   3.178   3.164
 1574TIP3   OH253534  -3.200  -3.411   3.983
 1574TIP3    H153535  -3.173  -3.324   4.015
 1574TIP3    H253536  -3.242  -3.389   3.898
 1574TIP3   OH253537  -3.279  -3.426   4.259
 1574TIP3    H153538  -3.279  -3.506   4.315
 1574TIP3    H253539  -3.274  -3.463   4.169
 1574TIP3   OH253540  -2.925  -3.153   4.036
 1574TIP3    H153541  -2.960  -3.220   4.098
 1574TIP3    H253542  -2.878  -3.099   4.102
 1574TIP3   OH253543  -3.952  -3.005   4.244
 1574TIP3    H153544  -3.990  -3.092   4.224
 1574TIP3    H253545  -3.858  -3.029   4.255
 1574TIP3   OH253546  -4.187  -3.570   3.683
 1574TIP3    H153547  -4.216  -3.513   3.757
 1574TIP3    H253548  -4.215  -3.656   3.713
 1574TIP3   OH253549  -4.198  -3.442   3.936
 1574TIP3    H153550  -4.195  -3.479   4.025
 1574TIP3    H253551  -4.118  -3.389   3.934
 1574TIP3   OH253552  -3.213  -2.613   4.110
 1574TIP3    H153553  -3.148  -2.678   4.079
 1574TIP3    H253554  -3.233  -2.643   4.200
 1574TIP3   OH253555  -3.477  -3.202   4.275
 1574TIP3    H153556  -3.432  -3.273   4.226
 1574TIP3    H253557  -3.398  -3.167   4.321
 1575TIP3   OH253558  -3.118  -3.724   4.321
 1575TIP3    H153559  -3.077  -3.809   4.344
 1575TIP3    H253560  -3.112  -3.722   4.224
 1575TIP3   OH253561  -3.811  -3.940   4.041
 1575TIP3    H153562  -3.789  -3.856   3.998
 1575TIP3    H253563  -3.839  -3.993   3.964
 1575TIP3   OH253564  -3.013  -3.917   3.874
 1575TIP3    H153565  -2.955  -3.964   3.939
 1575TIP3    H253566  -2.946  -3.877   3.816
 1575TIP3   OH253567  -4.117  -3.673   4.109
 1575TIP3    H153568  -4.075  -3.737   4.167
 1575TIP3    H253569  -4.110  -3.717   4.023
 1575TIP3   OH253570  -3.603  -3.531   4.056
 1575TIP3    H153571  -3.526  -3.584   4.082
 1575TIP3    H253572  -3.647  -3.591   3.992
 1575TIP3   OH253573  -3.172  -3.080   3.796
 1575TIP3    H153574  -3.200  -3.109   3.709
 1575TIP3    H253575  -3.219  -2.997   3.809
 1575TIP3   OH253576  -2.829  -4.012   4.072
 1575TIP3    H153577  -2.864  -4.066   4.144
 1575TIP3    H253578  -2.777  -3.949   4.124
 1575TIP3   OH253579  -3.878  -3.848   4.297
 1575TIP3    H153580  -3.903  -3.756   4.281
 1575TIP3    H253581  -3.887  -3.890   4.209
 1575TIP3   OH253582  -4.182  -3.118   3.628
 1575TIP3    H153583  -4.265  -3.102   3.578
 1575TIP3    H253584  -4.191  -3.058   3.704
 1575TIP3   OH253585  -2.823  -3.058   4.264
 1575TIP3    H153586  -2.890  -3.058   4.335
 1575TIP3    H253587  -2.756  -2.999   4.300
 1576TIP3   OH253588  -3.518   4.379   4.169
 1576TIP3    H153589  -3.507   4.287   4.194
 1576TIP3    H253590  -3.589   4.410   4.228
 1576TIP3   OH253591  -3.024  -2.777   3.965
 1576TIP3    H153592  -2.973  -2.855   3.934
 1576TIP3    H253593  -2.958  -2.707   3.951
 1576TIP3   OH253594  -2.873  -2.987   3.824
 1576TIP3    H153595  -2.918  -3.034   3.752
 1576TIP3    H253596  -2.884  -3.052   3.897
 1576TIP3   OH253597  -3.299  -3.406   3.639
 1576TIP3    H153598  -3.365  -3.358   3.586
 1576TIP3    H253599  -3.224  -3.410   3.577
 1576TIP3   OH253600  -3.267  -3.594   3.348
 1576TIP3    H153601  -3.196  -3.564   3.407
 1576TIP3    H253602  -3.218  -3.654   3.289
 1576TIP3   OH253603  -2.945  -3.416   3.749
 1576TIP3    H153604  -3.005  -3.389   3.820
 1576TIP3    H253605  -2.882  -3.471   3.798
 1576TIP3   OH253606  -3.776  -3.332   3.921
 1576TIP3    H153607  -3.818  -3.378   3.846
 1576TIP3    H253608  -3.723  -3.402   3.962
 1576TIP3   OH253609  -3.674  -3.010   4.154
 1576TIP3    H153610  -3.663  -3.059   4.073
 1576TIP3    H253611  -3.598  -3.038   4.206
 1576TIP3   OH253612  -3.766  -3.450   4.270
 1576TIP3    H153613  -3.698  -3.467   4.202
 1576TIP3    H253614  -3.712  -3.429   4.348
 1576TIP3   OH253615  -3.051  -3.468   3.495
 1576TIP3    H153616  -3.001  -3.443   3.576
 1576TIP3    H253617  -3.000  -3.419   3.426
 1577TIP3   OH253618  -3.304  -2.800   3.830
 1577TIP3    H153619  -3.253  -2.795   3.913
 1577TIP3    H253620  -3.369  -2.729   3.841
 1577TIP3   OH253621  -2.730  -4.321   3.415
 1577TIP3    H153622  -2.773  -4.324   3.502
 1577TIP3    H253623  -2.651  -4.270   3.438
 1577TIP3   OH253624  -3.893  -3.464   3.678
 1577TIP3    H153625  -3.919  -3.388   3.624
 1577TIP3    H253626  -3.968  -3.524   3.664
 1577TIP3   OH253627  -2.565  -2.882   3.295
 1577TIP3    H153628  -2.548  -2.788   3.319
 1577TIP3    H253629  -2.479  -2.923   3.317
 1577TIP3   OH253630  -4.286  -2.899   4.214
 1577TIP3    H153631  -4.210  -2.950   4.245
 1577TIP3    H253632  -4.308  -2.852   4.295
 1577TIP3   OH253633  -3.373  -2.514   3.630
 1577TIP3    H153634  -3.282  -2.526   3.599
 1577TIP3    H253635  -3.356  -2.463   3.711
 1577TIP3   OH253636  -3.974  -2.628   3.861
 1577TIP3    H153637  -3.950  -2.668   3.948
 1577TIP3    H253638  -4.055  -2.678   3.842
 1577TIP3   OH253639  -3.060  -2.617   3.419
 1577TIP3    H153640  -3.002  -2.668   3.359
 1577TIP3    H253641  -3.029  -2.650   3.504
 1577TIP3   OH253642  -3.127  -2.611   3.734
 1577TIP3    H153643  -3.206  -2.667   3.736
 1577TIP3    H253644  -3.061  -2.678   3.759
 1577TIP3   OH253645  -3.773  -4.211   4.298
 1577TIP3    H153646  -3.844  -4.212   4.232
 1577TIP3    H253647  -3.749  -4.117   4.306
 1578TIP3   OH253648  -2.895  -3.362   3.296
 1578TIP3    H153649  -2.914  -3.379   3.201
 1578TIP3    H253650  -2.801  -3.337   3.290
 1578TIP3   OH253651  -3.329  -3.993   3.341
 1578TIP3    H153652  -3.382  -4.005   3.422
 1578TIP3    H253653  -3.378  -4.053   3.281
 1578TIP3   OH253654  -3.767  -3.706   3.884
 1578TIP3    H153655  -3.862  -3.712   3.866
 1578TIP3    H253656  -3.731  -3.727   3.795
 1578TIP3   OH253657  -3.204  -3.647   3.761
 1578TIP3    H153658  -3.247  -3.567   3.726
 1578TIP3    H253659  -3.138  -3.666   3.693
 1578TIP3   OH253660  -3.126  -3.712   4.044
 1578TIP3    H153661  -3.156  -3.652   3.974
 1578TIP3    H253662  -3.104  -3.791   3.991
 1578TIP3   OH253663  -3.691  -3.937   3.238
 1578TIP3    H153664  -3.724  -3.979   3.319
 1578TIP3    H253665  -3.769  -3.928   3.183
 1578TIP3   OH253666  -4.323  -3.942   3.933
 1578TIP3    H153667  -4.301  -3.961   4.026
 1578TIP3    H253668  -4.285  -4.018   3.887
 1578TIP3   OH253669  -4.214  -3.881   3.533
 1578TIP3    H153670  -4.152  -3.864   3.459
 1578TIP3    H253671  -4.298  -3.859   3.492
 1578TIP3   OH253672  -3.497  -3.940   3.983
 1578TIP3    H153673  -3.589  -3.960   4.005
 1578TIP3    H253674  -3.450  -3.974   4.060
 1578TIP3   OH253675  -4.037  -3.822   3.847
 1578TIP3    H153676  -4.122  -3.821   3.803
 1578TIP3    H253677  -3.999  -3.906   3.814
 1579TIP3   OH253678  -3.672  -3.790   3.623
 1579TIP3    H153679  -3.575  -3.787   3.627
 1579TIP3    H253680  -3.694  -3.731   3.550
 1579TIP3   OH253681  -3.055  -4.072   4.270
 1579TIP3    H153682  -3.088  -4.047   4.358
 1579TIP3    H253683  -3.137  -4.076   4.218
 1579TIP3   OH253684  -3.825  -3.666   3.397
 1579TIP3    H153685  -3.883  -3.699   3.326
 1579TIP3    H253686  -3.743  -3.650   3.347
 1579TIP3   OH253687  -3.403  -3.707   4.193
 1579TIP3    H153688  -3.331  -3.737   4.135
 1579TIP3    H253689  -3.398  -3.773   4.264
 1579TIP3   OH253690  -3.879  -4.060   3.791
 1579TIP3    H153691  -3.920  -4.147   3.805
 1579TIP3    H253692  -3.793  -4.084   3.754
 1579TIP3   OH253693  -3.492  -3.191   3.576
 1579TIP3    H153694  -3.559  -3.254   3.542
 1579TIP3    H253695  -3.497  -3.205   3.673
 1579TIP3   OH253696  -3.061  -3.930   3.343
 1579TIP3    H153697  -3.159  -3.939   3.347
 1579TIP3    H253698  -3.043  -3.863   3.411
 1579TIP3   OH253699  -2.996  -3.748   3.559
 1579TIP3    H153700  -2.910  -3.764   3.603
 1579TIP3    H253701  -2.983  -3.661   3.519
 1579TIP3   OH253702  -3.968  -3.309   4.153
 1579TIP3    H153703  -3.902  -3.291   4.084
 1579TIP3    H253704  -3.918  -3.371   4.210
 1579TIP3   OH253705  -3.249  -3.054   3.471
 1579TIP3    H153706  -3.272  -2.975   3.522
 1579TIP3    H253707  -3.315  -3.118   3.501
 1580TIP3   OH253708  -2.534  -3.745   3.539
 1580TIP3    H153709  -2.590  -3.766   3.461
 1580TIP3    H253710  -2.522  -3.649   3.525
 1580TIP3   OH253711  -2.732  -2.905   3.529
 1580TIP3    H153712  -2.729  -2.966   3.604
 1580TIP3    H253713  -2.651  -2.924   3.480
 1580TIP3   OH253714  -3.015  -3.328   4.241
 1580TIP3    H153715  -3.094  -3.372   4.277
 1580TIP3    H253716  -2.965  -3.404   4.206
 1580TIP3   OH253717  -3.724  -2.937   3.866
 1580TIP3    H153718  -3.687  -2.847   3.866
 1580TIP3    H253719  -3.819  -2.920   3.868
 1580TIP3   OH253720  -4.153  -3.445   3.356
 1580TIP3    H153721  -4.082  -3.394   3.399
 1580TIP3    H253722  -4.229  -3.390   3.379
 1580TIP3   OH253723  -3.543  -3.167   3.866
 1580TIP3    H153724  -3.586  -3.079   3.864
 1580TIP3    H253725  -3.617  -3.224   3.893
 1580TIP3   OH253726  -3.676  -2.661   3.786
 1580TIP3    H153727  -3.772  -2.648   3.786
 1580TIP3    H253728  -3.645  -2.572   3.813
 1580TIP3   OH253729  -2.972  -3.038   3.335
 1580TIP3    H153730  -2.924  -3.078   3.409
 1580TIP3    H253731  -3.063  -3.052   3.366
 1580TIP3   OH253732  -2.491  -2.618   3.379
 1580TIP3    H153733  -2.421  -2.551   3.367
 1580TIP3    H253734  -2.568  -2.560   3.389
 1580TIP3   OH253735  -2.876  -3.182   3.577
 1580TIP3    H153736  -2.895  -3.257   3.636
 1580TIP3    H253737  -2.779  -3.179   3.579
 1581TIP3   OH253738  -3.542  -2.931   3.196
 1581TIP3    H153739  -3.510  -3.005   3.142
 1581TIP3    H253740  -3.583  -2.979   3.270
 1581TIP3   OH253741  -3.653  -2.947   3.478
 1581TIP3    H153742  -3.619  -3.026   3.523
 1581TIP3    H253743  -3.635  -2.878   3.543
 1581TIP3   OH253744  -3.986  -3.243   3.499
 1581TIP3    H153745  -4.057  -3.205   3.556
 1581TIP3    H253746  -3.940  -3.161   3.476
 1581TIP3   OH253747  -3.136  -4.057   3.631
 1581TIP3    H153748  -3.128  -3.997   3.555
 1581TIP3    H253749  -3.099  -4.003   3.703
 1581TIP3   OH253750  -3.404  -3.848   3.731
 1581TIP3    H153751  -3.327  -3.790   3.747
 1581TIP3    H253752  -3.434  -3.869   3.822
 1581TIP3   OH253753  -3.341  -4.172   3.824
 1581TIP3    H153754  -3.360  -4.100   3.886
 1581TIP3    H253755  -3.275  -4.131   3.765
 1581TIP3   OH253756  -3.776  -4.051   3.483
 1581TIP3    H153757  -3.770  -3.968   3.533
 1581TIP3    H253758  -3.689  -4.089   3.504
 1581TIP3   OH253759  -2.895  -3.570   4.141
 1581TIP3    H153760  -2.974  -3.618   4.109
 1581TIP3    H253761  -2.840  -3.646   4.172
 1581TIP3   OH253762  -3.923  -2.959   3.383
 1581TIP3    H153763  -3.842  -2.923   3.422
 1581TIP3    H253764  -3.886  -3.016   3.314
 1581TIP3   OH253765  -4.115  -3.747   3.299
 1581TIP3    H153766  -4.108  -3.652   3.317
 1581TIP3    H253767  -4.192  -3.755   3.241
 1582TIP3   OH253768  -2.794  -2.615   4.366
 1582TIP3    H153769  -2.814  -2.547   4.299
 1582TIP3    H253770  -2.702  -2.630   4.341
 1582TIP3   OH253771  -4.087  -4.238   4.182
 1582TIP3    H153772  -4.064  -4.248   4.089
 1582TIP3    H253773  -4.086  -4.331   4.212
 1582TIP3   OH253774  -4.135  -2.879   3.797
 1582TIP3    H153775  -4.227  -2.849   3.807
 1582TIP3    H253776  -4.109  -2.838   3.714
 1582TIP3   OH253777  -3.345  -2.743   3.266
 1582TIP3    H153778  -3.399  -2.821   3.243
 1582TIP3    H253779  -3.256  -2.777   3.246
 1582TIP3   OH253780  -2.869  -2.767   3.260
 1582TIP3    H153781  -2.849  -2.841   3.320
 1582TIP3    H253782  -2.788  -2.762   3.208
 1582TIP3   OH253783  -3.777  -3.185   3.234
 1582TIP3    H153784  -3.763  -3.253   3.302
 1582TIP3    H253785  -3.695  -3.195   3.181
 1582TIP3   OH253786  -3.262  -3.059   3.189
 1582TIP3    H153787  -3.258  -3.062   3.286
 1582TIP3    H253788  -3.260  -3.155   3.168
 1582TIP3   OH253789  -3.671  -3.384   3.462
 1582TIP3    H153790  -3.734  -3.435   3.517
 1582TIP3    H253791  -3.642  -3.453   3.398
 1582TIP3   OH253792  -3.576  -3.581   3.287
 1582TIP3    H153793  -3.579  -3.576   3.190
 1582TIP3    H253794  -3.480  -3.589   3.302
 1582TIP3   OH253795  -2.626  -3.331   3.220
 1582TIP3    H153796  -2.635  -3.373   3.132
 1582TIP3    H253797  -2.634  -3.237   3.195
 1583TIP3   OH253798  -4.196  -2.970   3.303
 1583TIP3    H153799  -4.126  -2.979   3.370
 1583TIP3    H253800  -4.221  -3.062   3.285
 1583TIP3   OH253801  -4.271  -2.692   4.018
 1583TIP3    H153802  -4.275  -2.783   4.055
 1583TIP3    H253803  -4.246  -2.645   4.099
 1583TIP3   OH253804  -2.518  -2.550   4.290
 1583TIP3    H153805  -2.505  -2.588   4.379
 1583TIP3    H253806  -2.427  -2.552   4.259
 1583TIP3   OH253807  -2.587  -3.193   3.615
 1583TIP3    H153808  -2.496  -3.161   3.629
 1583TIP3    H253809  -2.592  -3.258   3.688
 1583TIP3   OH253810  -2.539  -3.397   3.813
 1583TIP3    H153811  -2.605  -3.455   3.856
 1583TIP3    H253812  -2.469  -3.389   3.881
 1583TIP3   OH253813  -2.564  -3.191   4.355
 1583TIP3    H153814  -2.501  -3.228   4.292
 1583TIP3    H253815  -2.566  -3.096   4.332
 1583TIP3   OH253816  -2.516  -3.455   3.469
 1583TIP3    H153817  -2.566  -3.425   3.391
 1583TIP3    H253818  -2.526  -3.379   3.529
 1583TIP3   OH253819  -2.690  -3.697   3.294
 1583TIP3    H153820  -2.660  -3.638   3.223
 1583TIP3    H253821  -2.712  -3.779   3.245
 1583TIP3   OH253822  -2.752  -3.583   3.892
 1583TIP3    H153823  -2.754  -3.678   3.875
 1583TIP3    H253824  -2.785  -3.578   3.984
 1583TIP3   OH253825  -4.217  -3.301   4.316
 1583TIP3    H153826  -4.268  -3.330   4.238
 1583TIP3    H253827  -4.145  -3.365   4.318
 1584TIP3   OH253828  -2.746  -3.968   3.212
 1584TIP3    H153829  -2.685  -4.012   3.274
 1584TIP3    H253830  -2.827  -4.019   3.221
 1584TIP3   OH253831  -2.763  -3.827   3.711
 1584TIP3    H153832  -2.747  -3.924   3.718
 1584TIP3    H253833  -2.681  -3.798   3.669
 1584TIP3   OH253834  -2.741  -3.775   4.218
 1584TIP3    H153835  -2.645  -3.774   4.233
 1584TIP3    H253836  -2.775  -3.783   4.309
 1584TIP3   OH253837  -2.733  -4.099   3.720
 1584TIP3    H153838  -2.710  -4.149   3.799
 1584TIP3    H253839  -2.795  -4.160   3.676
 1584TIP3   OH253840  -4.169  -3.973   4.191
 1584TIP3    H153841  -4.164  -4.070   4.200
 1584TIP3    H253842  -4.113  -3.947   4.265
 1584TIP3   OH253843  -4.343  -3.712   4.318
 1584TIP3    H153844  -4.309  -3.759   4.240
 1584TIP3    H253845  -4.299  -3.627   4.310
 1584TIP3   OH253846  -2.520  -4.056   3.378
 1584TIP3    H153847  -2.502  -4.142   3.336
 1584TIP3    H253848  -2.433  -4.015   3.383
 1584TIP3   OH253849  -4.314  -4.107   3.654
 1584TIP3    H153850  -4.397  -4.078   3.616
 1584TIP3    H253851  -4.253  -4.037   3.620
 1584TIP3   OH253852  -2.812  -2.573   3.911
 1584TIP3    H153853  -2.744  -2.637   3.890
 1584TIP3    H253854  -2.770  -2.525   3.986
 1584TIP3   OH253855  -4.152  -2.643   4.266
 1584TIP3    H153856  -4.132  -2.660   4.360
 1584TIP3    H253857  -4.067  -2.666   4.226
 1585TIP3   OH253858  -3.909  -2.750   4.116
 1585TIP3    H153859  -3.926  -2.841   4.146
 1585TIP3    H253860  -3.820  -2.734   4.152
 1585TIP3   OH253861  -3.626  -2.702   4.212
 1585TIP3    H153862  -3.611  -2.792   4.180
 1585TIP3    H253863  -3.630  -2.718   4.307
 1585TIP3   OH253864  -3.302  -4.109   4.127
 1585TIP3    H153865  -3.364  -4.181   4.152
 1585TIP3    H253866  -3.235  -4.159   4.077
 1585TIP3   OH253867  -2.770  -4.349   4.151
 1585TIP3    H153868  -2.715  -4.281   4.110
 1585TIP3    H253869  -2.857  -4.309   4.160
 1585TIP3   OH253870  -2.577  -4.221   3.956
 1585TIP3    H153871  -2.519  -4.244   3.883
 1585TIP3    H253872  -2.556  -4.127   3.970
 1585TIP3   OH253873  -4.076  -4.280   3.872
 1585TIP3    H153874  -4.159  -4.316   3.837
 1585TIP3    H253875  -4.023  -4.360   3.886
 1585TIP3   OH253876  -4.205  -4.301   3.475
 1585TIP3    H153877  -4.172  -4.238   3.409
 1585TIP3    H253878  -4.257  -4.242   3.533
 1585TIP3   OH253879  -3.617  -4.230   3.891
 1585TIP3    H153880  -3.523  -4.232   3.867
 1585TIP3    H253881  -3.620  -4.290   3.967
 1585TIP3   OH253882  -3.085  -4.269   4.012
 1585TIP3    H153883  -3.019  -4.271   3.941
 1585TIP3    H253884  -3.060  -4.346   4.067
 1585TIP3   OH253885  -2.949  -4.272   3.620
 1585TIP3    H153886  -3.025  -4.214   3.603
 1585TIP3    H253887  -2.989  -4.360   3.624
 1586TIP3   OH253888  -4.182  -2.692   3.567
 1586TIP3    H153889  -4.253  -2.711   3.505
 1586TIP3    H253890  -4.186  -2.595   3.572
 1586TIP3   OH253891  -4.009  -4.112   3.332
 1586TIP3    H153892  -3.947  -4.157   3.273
 1586TIP3    H253893  -3.947  -4.071   3.395
 1586TIP3   OH253894  -3.492  -4.059   3.561
 1586TIP3    H153895  -3.481  -4.143   3.609
 1586TIP3    H253896  -3.471  -3.992   3.629
 1586TIP3   OH253897  -2.602  -2.606   3.652
 1586TIP3    H153898  -2.654  -2.683   3.623
 1586TIP3    H253899  -2.629  -2.541   3.586
 1586TIP3   OH253900  -4.006  -2.590   3.271
 1586TIP3    H153901  -4.048  -2.573   3.357
 1586TIP3    H253902  -3.951  -2.667   3.291
 1586TIP3   OH253903  -1.280  -3.365   3.928
 1586TIP3    H153904  -1.283  -3.268   3.925
 1586TIP3    H253905  -1.346  -3.389   3.861
 1586TIP3   OH253906  -1.390  -3.425   4.249
 1586TIP3    H153907  -1.388  -3.505   4.305
 1586TIP3    H253908  -1.396  -3.464   4.160
 1586TIP3   OH253909  -0.961  -3.164   4.025
 1586TIP3    H153910  -1.013  -3.233   4.069
 1586TIP3    H253911  -0.947  -3.104   4.101
 1586TIP3   OH253912  -2.076  -3.014   4.261
 1586TIP3    H153913  -2.098  -3.103   4.231
 1586TIP3    H253914  -1.979  -3.018   4.254
 1586TIP3   OH253915  -2.378  -3.663   3.778
 1586TIP3    H153916  -2.414  -3.573   3.789
 1586TIP3    H253917  -2.452  -3.708   3.736
 1587TIP3   OH253918  -2.303  -3.424   3.969
 1587TIP3    H153919  -2.280  -3.497   4.030
 1587TIP3    H253920  -2.217  -3.405   3.930
 1587TIP3   OH253921  -1.318  -2.608   4.113
 1587TIP3    H153922  -1.258  -2.679   4.084
 1587TIP3    H253923  -1.353  -2.640   4.197
 1587TIP3   OH253924  -1.595  -3.226   4.326
 1587TIP3    H153925  -1.537  -3.262   4.257
 1587TIP3    H253926  -1.616  -3.304   4.377
 1587TIP3   OH253927  -1.234  -3.728   4.317
 1587TIP3    H153928  -1.189  -3.812   4.340
 1587TIP3    H253929  -1.222  -3.725   4.220
 1587TIP3   OH253930  -1.928  -3.941   4.042
 1587TIP3    H153931  -1.904  -3.857   4.000
 1587TIP3    H253932  -1.959  -3.990   3.963
 1587TIP3   OH253933  -2.225  -3.675   4.101
 1587TIP3    H153934  -2.178  -3.738   4.155
 1587TIP3    H253935  -2.221  -3.718   4.013
 1587TIP3   OH253936  -1.715  -3.531   4.057
 1587TIP3    H153937  -1.637  -3.586   4.080
 1587TIP3    H253938  -1.759  -3.589   3.992
 1587TIP3   OH253939  -1.280  -3.080   3.793
 1587TIP3    H153940  -1.318  -3.107   3.709
 1587TIP3    H253941  -1.328  -2.997   3.811
 1587TIP3   OH253942  -0.926  -4.015   4.061
 1587TIP3    H153943  -0.993  -4.063   4.111
 1587TIP3    H253944  -0.903  -3.945   4.124
 1587TIP3   OH253945  -2.002  -3.849   4.298
 1587TIP3    H153946  -2.009  -3.755   4.280
 1587TIP3    H253947  -2.001  -3.889   4.209
 1588TIP3   OH253948  -2.313  -3.112   3.627
 1588TIP3    H153949  -2.328  -3.060   3.546
 1588TIP3    H253950  -2.294  -3.042   3.694
 1588TIP3   OH253951  -0.938  -3.037   4.262
 1588TIP3    H153952  -1.015  -3.051   4.321
 1588TIP3    H253953  -0.891  -2.967   4.307
 1588TIP3   OH253954  -1.639  -4.317   4.153
 1588TIP3    H153955  -1.599  -4.398   4.190
 1588TIP3    H253956  -1.688  -4.280   4.228
 1588TIP3   OH253957  -1.130  -2.775   3.969
 1588TIP3    H153958  -1.085  -2.852   3.930
 1588TIP3    H253959  -1.070  -2.703   3.945
 1588TIP3   OH253960  -0.988  -2.984   3.817
 1588TIP3    H153961  -1.047  -3.032   3.756
 1588TIP3    H253962  -0.978  -3.050   3.889
 1588TIP3   OH253963  -1.412  -3.411   3.641
 1588TIP3    H153964  -1.476  -3.352   3.598
 1588TIP3    H253965  -1.338  -3.412   3.578
 1588TIP3   OH253966  -1.383  -3.589   3.341
 1588TIP3    H153967  -1.318  -3.564   3.409
 1588TIP3    H253968  -1.334  -3.659   3.295
 1588TIP3   OH253969  -1.058  -3.410   3.750
 1588TIP3    H153970  -1.129  -3.395   3.816
 1588TIP3    H253971  -1.005  -3.477   3.797
 1588TIP3   OH253972  -1.901  -3.335   3.925
 1588TIP3    H153973  -1.933  -3.381   3.845
 1588TIP3    H253974  -1.839  -3.400   3.964
 1588TIP3   OH253975  -1.784  -3.074   4.166
 1588TIP3    H153976  -1.773  -3.058   4.072
 1588TIP3    H253977  -1.717  -3.015   4.204
 1589TIP3   OH253978  -1.887  -3.469   4.270
 1589TIP3    H153979  -1.816  -3.466   4.202
 1589TIP3    H253980  -1.856  -3.405   4.336
 1589TIP3   OH253981  -1.167  -3.462   3.493
 1589TIP3    H153982  -1.118  -3.443   3.576
 1589TIP3    H253983  -1.114  -3.411   3.427
 1589TIP3   OH253984  -1.412  -2.808   3.850
 1589TIP3    H153985  -1.375  -2.777   3.933
 1589TIP3    H253986  -1.469  -2.734   3.823
 1589TIP3   OH253987  -0.842  -4.321   3.412
 1589TIP3    H153988  -0.901  -4.322   3.489
 1589TIP3    H253989  -0.767  -4.274   3.451
 1589TIP3   OH253990  -2.007  -3.463   3.681
 1589TIP3    H153991  -2.026  -3.387   3.624
 1589TIP3    H253992  -2.072  -3.527   3.652
 1589TIP3   OH253993  -0.681  -2.883   3.298
 1589TIP3    H153994  -0.666  -2.789   3.321
 1589TIP3    H253995  -0.594  -2.922   3.319
 1589TIP3   OH253996  -1.460  -2.537   3.699
 1589TIP3    H153997  -1.464  -2.527   3.603
 1589TIP3    H253998  -1.459  -2.445   3.731
 1589TIP3   OH253999  -2.067  -2.660   3.812
 1589TIP3    H154000  -2.064  -2.646   3.909
 1589TIP3    H254001  -2.162  -2.658   3.797
 1589TIP3   OH254002  -1.134  -2.596   3.418
 1589TIP3    H154003  -1.076  -2.661   3.374
 1589TIP3    H254004  -1.140  -2.633   3.508
 1589TIP3   OH254005  -1.195  -2.653   3.698
 1589TIP3    H154006  -1.290  -2.638   3.712
 1589TIP3    H254007  -1.181  -2.727   3.759
 1590TIP3   OH254008  -1.889  -4.209   4.306
 1590TIP3    H154009  -1.948  -4.220   4.231
 1590TIP3    H254010  -1.864  -4.115   4.304
 1590TIP3   OH254011  -1.008  -3.362   3.291
 1590TIP3    H154012  -1.027  -3.384   3.198
 1590TIP3    H254013  -0.914  -3.338   3.287
 1590TIP3   OH254014  -1.452  -3.993   3.340
 1590TIP3    H154015  -1.503  -4.000   3.422
 1590TIP3    H254016  -1.500  -4.057   3.283
 1590TIP3   OH254017  -1.881  -3.705   3.887
 1590TIP3    H154018  -1.976  -3.713   3.867
 1590TIP3    H254019  -1.843  -3.725   3.799
 1590TIP3   OH254020  -1.301  -3.634   3.776
 1590TIP3    H154021  -1.360  -3.573   3.727
 1590TIP3    H254022  -1.252  -3.678   3.704
 1590TIP3   OH254023  -1.228  -3.729   4.032
 1590TIP3    H154024  -1.257  -3.677   3.953
 1590TIP3    H254025  -1.220  -3.816   3.987
 1590TIP3   OH254026  -1.805  -3.943   3.235
 1590TIP3    H154027  -1.838  -3.978   3.320
 1590TIP3    H254028  -1.886  -3.931   3.184
 1590TIP3   OH254029  -2.458  -3.956   3.944
 1590TIP3    H154030  -2.402  -3.956   4.023
 1590TIP3    H254031  -2.401  -3.994   3.876
 1590TIP3   OH254032  -2.301  -3.912   3.513
 1590TIP3    H154033  -2.246  -3.861   3.450
 1590TIP3    H254034  -2.371  -3.846   3.532
 1590TIP3   OH254035  -1.628  -3.950   3.985
 1590TIP3    H154036  -1.717  -3.962   4.022
 1590TIP3    H254037  -1.570  -3.976   4.057
 1591TIP3   OH254038  -2.150  -3.827   3.854
 1591TIP3    H154039  -2.230  -3.796   3.807
 1591TIP3    H254040  -2.122  -3.906   3.803
 1591TIP3   OH254041  -1.800  -3.794   3.617
 1591TIP3    H154042  -1.703  -3.789   3.633
 1591TIP3    H254043  -1.815  -3.728   3.548
 1591TIP3   OH254044  -1.184  -4.072   4.270
 1591TIP3    H154045  -1.241  -4.046   4.344
 1591TIP3    H254046  -1.243  -4.080   4.194
 1591TIP3   OH254047  -1.944  -3.665   3.393
 1591TIP3    H154048  -1.998  -3.695   3.319
 1591TIP3    H254049  -1.860  -3.645   3.348
 1591TIP3   OH254050  -1.510  -3.709   4.184
 1591TIP3    H154051  -1.442  -3.743   4.123
 1591TIP3    H254052  -1.503  -3.771   4.258
 1591TIP3   OH254053  -1.988  -4.066   3.793
 1591TIP3    H154054  -2.032  -4.153   3.801
 1591TIP3    H254055  -1.905  -4.088   3.748
 1591TIP3   OH254056  -1.595  -3.206   3.581
 1591TIP3    H154057  -1.670  -3.259   3.546
 1591TIP3    H254058  -1.611  -3.206   3.678
 1591TIP3   OH254059  -1.178  -3.951   3.367
 1591TIP3    H154060  -1.275  -3.959   3.376
 1591TIP3    H254061  -1.157  -3.894   3.444
 1591TIP3   OH254062  -1.109  -3.745   3.554
 1591TIP3    H154063  -1.033  -3.763   3.612
 1591TIP3    H254064  -1.087  -3.659   3.514
 1591TIP3   OH254065  -2.097  -3.306   4.170
 1591TIP3    H154066  -2.033  -3.286   4.100
 1591TIP3    H254067  -2.045  -3.370   4.222
 1592TIP3   OH254068  -1.353  -3.072   3.472
 1592TIP3    H154069  -1.378  -2.987   3.512
 1592TIP3    H254070  -1.426  -3.129   3.501
 1592TIP3   OH254071  -0.644  -3.749   3.537
 1592TIP3    H154072  -0.708  -3.767   3.466
 1592TIP3    H254073  -0.637  -3.652   3.528
 1592TIP3   OH254074  -0.829  -2.882   3.547
 1592TIP3    H154075  -0.854  -2.959   3.601
 1592TIP3    H254076  -0.775  -2.921   3.477
 1592TIP3   OH254077  -1.107  -3.342   4.254
 1592TIP3    H154078  -1.202  -3.358   4.265
 1592TIP3    H254079  -1.079  -3.419   4.200
 1592TIP3   OH254080  -1.838  -2.949   3.863
 1592TIP3    H154081  -1.798  -2.862   3.882
 1592TIP3    H254082  -1.931  -2.927   3.871
 1592TIP3   OH254083  -2.242  -3.462   3.351
 1592TIP3    H154084  -2.183  -3.396   3.390
 1592TIP3    H254085  -2.329  -3.433   3.384
 1592TIP3   OH254086  -1.658  -3.172   3.858
 1592TIP3    H154087  -1.694  -3.081   3.858
 1592TIP3    H254088  -1.732  -3.221   3.896
 1592TIP3   OH254089  -1.788  -2.648   3.808
 1592TIP3    H154090  -1.886  -2.649   3.811
 1592TIP3    H254091  -1.767  -2.559   3.839
 1592TIP3   OH254092  -1.083  -3.042   3.336
 1592TIP3    H154093  -1.042  -3.088   3.411
 1592TIP3    H254094  -1.176  -3.054   3.360
 1592TIP3   OH254095  -0.609  -2.616   3.389
 1592TIP3    H154096  -0.540  -2.552   3.367
 1592TIP3    H254097  -0.686  -2.556   3.390
 1593TIP3   OH254098  -0.986  -3.181   3.572
 1593TIP3    H154099  -1.016  -3.251   3.633
 1593TIP3    H254100  -0.890  -3.183   3.586
 1593TIP3   OH254101  -1.659  -2.937   3.193
 1593TIP3    H154102  -1.630  -3.017   3.146
 1593TIP3    H254103  -1.701  -2.975   3.272
 1593TIP3   OH254104  -1.774  -2.984   3.463
 1593TIP3    H154105  -1.726  -3.037   3.528
 1593TIP3    H254106  -1.762  -2.894   3.497
 1593TIP3   OH254107  -2.092  -3.241   3.503
 1593TIP3    H154108  -2.164  -3.202   3.557
 1593TIP3    H254109  -2.043  -3.161   3.478
 1593TIP3   OH254110  -1.479  -2.822   3.528
 1593TIP3    H154111  -1.561  -2.775   3.547
 1593TIP3    H254112  -1.446  -2.774   3.451
 1593TIP3   OH254113  -1.540  -3.832   3.728
 1593TIP3    H154114  -1.443  -3.824   3.732
 1593TIP3    H254115  -1.553  -3.874   3.816
 1593TIP3   OH254116  -1.759  -2.715   3.527
 1593TIP3    H154117  -1.766  -2.632   3.476
 1593TIP3    H254118  -1.776  -2.684   3.618
 1593TIP3   OH254119  -1.885  -4.053   3.483
 1593TIP3    H154120  -1.885  -3.969   3.533
 1593TIP3    H254121  -1.795  -4.085   3.506
 1593TIP3   OH254122  -1.010  -3.573   4.137
 1593TIP3    H154123  -1.086  -3.622   4.100
 1593TIP3    H254124  -0.954  -3.647   4.170
 1593TIP3   OH254125  -2.048  -2.960   3.379
 1593TIP3    H154126  -1.977  -2.910   3.422
 1593TIP3    H254127  -1.996  -3.010   3.315
 1594TIP3   OH254128  -2.233  -3.745   3.291
 1594TIP3    H154129  -2.219  -3.652   3.315
 1594TIP3    H254130  -2.321  -3.742   3.251
 1594TIP3   OH254131  -0.800  -2.476   4.358
 1594TIP3    H154132  -0.861  -2.439   4.291
 1594TIP3    H254133  -0.771  -2.555   4.312
 1594TIP3   OH254134  -2.218  -4.244   4.179
 1594TIP3    H154135  -2.188  -4.241   4.087
 1594TIP3    H254136  -2.184  -4.332   4.205
 1594TIP3   OH254137  -2.265  -2.897   3.799
 1594TIP3    H154138  -2.334  -2.831   3.814
 1594TIP3    H254139  -2.199  -2.845   3.751
 1594TIP3   OH254140  -1.437  -2.766   3.243
 1594TIP3    H154141  -1.513  -2.827   3.235
 1594TIP3    H254142  -1.367  -2.822   3.207
 1594TIP3   OH254143  -0.975  -2.775   3.255
 1594TIP3    H154144  -0.959  -2.856   3.306
 1594TIP3    H254145  -0.895  -2.771   3.198
 1594TIP3   OH254146  -1.895  -3.194   3.227
 1594TIP3    H154147  -1.878  -3.252   3.303
 1594TIP3    H254148  -1.808  -3.197   3.183
 1594TIP3   OH254149  -1.370  -3.060   3.188
 1594TIP3    H154150  -1.375  -3.064   3.286
 1594TIP3    H254151  -1.377  -3.156   3.167
 1594TIP3   OH254152  -1.786  -3.384   3.461
 1594TIP3    H154153  -1.846  -3.435   3.517
 1594TIP3    H254154  -1.755  -3.453   3.398
 1594TIP3   OH254155  -1.691  -3.584   3.287
 1594TIP3    H154156  -1.694  -3.575   3.190
 1594TIP3    H254157  -1.595  -3.587   3.303
 1595TIP3   OH254158  -0.737  -3.339   3.210
 1595TIP3    H154159  -0.768  -3.366   3.122
 1595TIP3    H254160  -0.743  -3.242   3.200
 1595TIP3   OH254161  -1.715  -2.458   3.396
 1595TIP3    H154162  -1.619  -2.449   3.408
 1595TIP3    H254163  -1.726  -2.415   3.310
 1595TIP3   OH254164  -2.323  -3.020   3.350
 1595TIP3    H154165  -2.228  -3.000   3.364
 1595TIP3    H254166  -2.319  -3.099   3.292
 1595TIP3   OH254167  -2.416  -2.494   3.821
 1595TIP3    H154168  -2.483  -2.536   3.761
 1595TIP3    H254169  -2.413  -2.560   3.894
 1595TIP3   OH254170  -2.405  -2.686   4.015
 1595TIP3    H154171  -2.404  -2.777   4.046
 1595TIP3    H254172  -2.337  -2.647   4.073
 1595TIP3   OH254173  -0.604  -2.640   4.282
 1595TIP3    H154174  -0.617  -2.616   4.376
 1595TIP3    H254175  -0.537  -2.575   4.258
 1595TIP3   OH254176  -0.699  -3.198   3.613
 1595TIP3    H154177  -0.609  -3.164   3.630
 1595TIP3    H254178  -0.710  -3.258   3.688
 1595TIP3   OH254179  -0.636  -3.408   3.825
 1595TIP3    H154180  -0.717  -3.455   3.854
 1595TIP3    H254181  -0.592  -3.389   3.909
 1595TIP3   OH254182  -0.643  -3.178   4.324
 1595TIP3    H154183  -0.622  -3.205   4.235
 1595TIP3    H254184  -0.695  -3.098   4.308
 1595TIP3   OH254185  -0.627  -3.453   3.469
 1595TIP3    H154186  -0.679  -3.427   3.390
 1595TIP3    H254187  -0.642  -3.376   3.527
 1596TIP3   OH254188  -0.802  -3.698   3.292
 1596TIP3    H154189  -0.773  -3.640   3.221
 1596TIP3    H254190  -0.826  -3.779   3.246
 1596TIP3   OH254191  -0.852  -3.583   3.894
 1596TIP3    H154192  -0.867  -3.676   3.867
 1596TIP3    H254193  -0.900  -3.579   3.979
 1596TIP3   OH254194  -2.374  -3.410   4.260
 1596TIP3    H154195  -2.338  -3.373   4.178
 1596TIP3    H254196  -2.297  -3.407   4.318
 1596TIP3   OH254197  -0.853  -3.977   3.200
 1596TIP3    H154198  -0.799  -4.013   3.273
 1596TIP3    H254199  -0.939  -4.019   3.216
 1596TIP3   OH254200  -0.872  -3.820   3.712
 1596TIP3    H154201  -0.872  -3.916   3.727
 1596TIP3    H254202  -0.786  -3.808   3.668
 1596TIP3   OH254203  -0.856  -3.772   4.220
 1596TIP3    H154204  -0.761  -3.779   4.234
 1596TIP3    H254205  -0.893  -3.792   4.308
 1596TIP3   OH254206  -0.836  -4.104   3.715
 1596TIP3    H154207  -0.851  -4.131   3.806
 1596TIP3    H254208  -0.911  -4.148   3.671
 1596TIP3   OH254209  -2.301  -3.983   4.189
 1596TIP3    H154210  -2.286  -4.080   4.198
 1596TIP3    H254211  -2.238  -3.949   4.254
 1596TIP3   OH254212  -2.463  -3.697   4.302
 1596TIP3    H154213  -2.418  -3.735   4.224
 1596TIP3    H254214  -2.434  -3.604   4.296
 1596TIP3   OH254215  -0.634  -4.052   3.366
 1596TIP3    H154216  -0.618  -4.143   3.340
 1596TIP3    H254217  -0.546  -4.017   3.386
 1597TIP3   OH254218  -2.401  -4.105   3.689
 1597TIP3    H154219  -2.496  -4.093   3.672
 1597TIP3    H254220  -2.361  -4.035   3.634
 1597TIP3   OH254221  -0.947  -2.568   3.891
 1597TIP3    H154222  -0.888  -2.593   3.819
 1597TIP3    H254223  -0.886  -2.531   3.957
 1597TIP3   OH254224  -2.266  -2.673   4.348
 1597TIP3    H154225  -2.221  -2.750   4.383
 1597TIP3    H254226  -2.210  -2.650   4.270
 1597TIP3   OH254227  -1.924  -2.822   4.122
 1597TIP3    H154228  -2.009  -2.866   4.139
 1597TIP3    H254229  -1.955  -2.729   4.123
 1597TIP3   OH254230  -1.704  -2.688   4.221
 1597TIP3    H154231  -1.747  -2.759   4.171
 1597TIP3    H254232  -1.742  -2.704   4.308
 1597TIP3   OH254233  -0.881  -4.344   4.160
 1597TIP3    H154234  -0.837  -4.274   4.111
 1597TIP3    H254235  -0.976  -4.321   4.153
 1597TIP3   OH254236  -0.660  -4.223   3.966
 1597TIP3    H154237  -0.648  -4.240   3.873
 1597TIP3    H254238  -0.688  -4.131   3.970
 1597TIP3   OH254239  -2.179  -4.285   3.864
 1597TIP3    H154240  -2.270  -4.309   3.845
 1597TIP3    H254241  -2.141  -4.367   3.896
 1597TIP3   OH254242  -2.320  -4.291   3.487
 1597TIP3    H154243  -2.273  -4.242   3.417
 1597TIP3    H254244  -2.356  -4.218   3.540
 1597TIP3   OH254245  -1.703  -4.262   3.868
 1597TIP3    H154246  -1.625  -4.209   3.886
 1597TIP3    H254247  -1.726  -4.290   3.958
 1598TIP3   OH254248  -1.147  -4.288   4.041
 1598TIP3    H154249  -1.193  -4.249   3.965
 1598TIP3    H254250  -1.194  -4.370   4.061
 1598TIP3   OH254251  -1.064  -4.269   3.599
 1598TIP3    H154252  -1.138  -4.206   3.611
 1598TIP3    H254253  -1.101  -4.350   3.636
 1598TIP3   OH254254  -2.281  -2.697   3.588
 1598TIP3    H154255  -2.348  -2.704   3.518
 1598TIP3    H254256  -2.279  -2.602   3.602
 1598TIP3   OH254257  -2.127  -4.126   3.333
 1598TIP3    H154258  -2.056  -4.161   3.275
 1598TIP3    H254259  -2.074  -4.074   3.396
 1598TIP3   OH254260  -1.612  -4.062   3.580
 1598TIP3    H154261  -1.568  -4.134   3.627
 1598TIP3    H254262  -1.585  -3.985   3.635
 1598TIP3   OH254263  -1.410  -2.512   3.403
 1598TIP3    H154264  -1.312  -2.512   3.401
 1598TIP3    H254265  -1.429  -2.579   3.337
 1598TIP3   OH254266  -0.757  -2.611   3.664
 1598TIP3    H154267  -0.782  -2.695   3.619
 1598TIP3    H254268  -0.763  -2.549   3.590
 1598TIP3   OH254269  -2.132  -2.600   3.273
 1598TIP3    H154270  -2.157  -2.577   3.364
 1598TIP3    H254271  -2.056  -2.659   3.287
 1598TIP3   OH254272   0.603  -3.370   3.923
 1598TIP3    H154273   0.611  -3.273   3.930
 1598TIP3    H254274   0.534  -3.378   3.855
 1598TIP3   OH254275   0.498  -3.429   4.247
 1598TIP3    H154276   0.494  -3.504   4.308
 1598TIP3    H254277   0.489  -3.471   4.161
 1599TIP3   OH254278   0.850  -3.152   4.035
 1599TIP3    H154279   0.814  -3.222   4.092
 1599TIP3    H254280   0.894  -3.101   4.106
 1599TIP3   OH254281  -0.491  -3.650   3.781
 1599TIP3    H154282  -0.542  -3.567   3.782
 1599TIP3    H254283  -0.559  -3.713   3.754
 1599TIP3   OH254284  -0.386  -3.394   4.048
 1599TIP3    H154285  -0.394  -3.491   4.057
 1599TIP3    H254286  -0.350  -3.387   3.958
 1599TIP3   OH254287   0.558  -2.615   4.110
 1599TIP3    H154288   0.626  -2.678   4.082
 1599TIP3    H254289   0.538  -2.643   4.201
 1599TIP3   OH254290   0.305  -3.199   4.278
 1599TIP3    H154291   0.346  -3.267   4.223
 1599TIP3    H254292   0.387  -3.163   4.319
 1599TIP3   OH254293   0.654  -3.722   4.321
 1599TIP3    H154294   0.692  -3.808   4.345
 1599TIP3    H254295   0.660  -3.722   4.223
 1599TIP3   OH254296  -0.040  -3.940   4.042
 1599TIP3    H154297  -0.018  -3.856   3.997
 1599TIP3    H254298  -0.070  -3.993   3.964
 1599TIP3   OH254299   0.759  -3.918   3.874
 1599TIP3    H154300   0.816  -3.964   3.938
 1599TIP3    H254301   0.825  -3.877   3.816
 1599TIP3   OH254302  -0.342  -3.674   4.100
 1599TIP3    H154303  -0.299  -3.740   4.155
 1599TIP3    H254304  -0.341  -3.720   4.014
 1599TIP3   OH254305   0.166  -3.530   4.059
 1599TIP3    H154306   0.243  -3.585   4.083
 1599TIP3    H254307   0.124  -3.585   3.990
 1600TIP3   OH254308   0.599  -3.084   3.793
 1600TIP3    H154309   0.571  -3.101   3.702
 1600TIP3    H254310   0.558  -2.998   3.812
 1600TIP3   OH254311   0.946  -4.014   4.071
 1600TIP3    H154312   0.906  -4.066   4.143
 1600TIP3    H254313   0.994  -3.949   4.126
 1600TIP3   OH254314  -0.111  -3.850   4.297
 1600TIP3    H154315  -0.128  -3.757   4.279
 1600TIP3    H254316  -0.113  -3.891   4.208
 1600TIP3   OH254317  -0.426  -3.112   3.628
 1600TIP3    H154318  -0.443  -3.065   3.545
 1600TIP3    H254319  -0.408  -3.039   3.692
 1600TIP3   OH254320   0.946  -3.091   4.277
 1600TIP3    H154321   0.870  -3.074   4.336
 1600TIP3    H254322   0.995  -3.009   4.285
 1600TIP3   OH254323   0.249   4.378   4.165
 1600TIP3    H154324   0.267   4.288   4.195
 1600TIP3    H254325   0.184   4.410   4.229
 1600TIP3   OH254326   0.746  -2.771   3.952
 1600TIP3    H154327   0.798  -2.851   3.931
 1600TIP3    H254328   0.816  -2.703   3.948
 1600TIP3   OH254329   0.901  -2.991   3.819
 1600TIP3    H154330   0.843  -3.033   3.754
 1600TIP3    H254331   0.889  -3.051   3.896
 1600TIP3   OH254332   0.475  -3.415   3.642
 1600TIP3    H154333   0.410  -3.354   3.603
 1600TIP3    H254334   0.548  -3.410   3.577
 1600TIP3   OH254335   0.504  -3.595   3.346
 1600TIP3    H154336   0.573  -3.565   3.408
 1600TIP3    H254337   0.557  -3.653   3.288
 1601TIP3   OH254338   0.825  -3.415   3.750
 1601TIP3    H154339   0.760  -3.392   3.819
 1601TIP3    H254340   0.887  -3.470   3.801
 1601TIP3   OH254341  -0.032  -3.327   3.944
 1601TIP3    H154342  -0.061  -3.372   3.863
 1601TIP3    H254343   0.027  -3.391   3.985
 1601TIP3   OH254344   0.067  -3.030   4.165
 1601TIP3    H154345   0.098  -3.049   4.076
 1601TIP3    H254346   0.150  -3.020   4.214
 1601TIP3   OH254347  -0.001  -3.443   4.269
 1601TIP3    H154348   0.063  -3.463   4.198
 1601TIP3    H254349   0.059  -3.435   4.345
 1601TIP3   OH254350   0.723  -3.472   3.495
 1601TIP3    H154351   0.770  -3.443   3.576
 1601TIP3    H254352   0.772  -3.420   3.427
 1601TIP3   OH254353   0.462  -2.811   3.856
 1601TIP3    H154354   0.520  -2.778   3.925
 1601TIP3    H254355   0.419  -2.730   3.823
 1601TIP3   OH254356   1.042  -4.322   3.415
 1601TIP3    H154357   0.996  -4.323   3.501
 1601TIP3    H254358   1.120  -4.270   3.440
 1601TIP3   OH254359  -0.119  -3.459   3.683
 1601TIP3    H154360  -0.140  -3.384   3.624
 1601TIP3    H254361  -0.183  -3.525   3.655
 1601TIP3   OH254362   1.205  -2.882   3.298
 1601TIP3    H154363   1.220  -2.789   3.321
 1601TIP3    H254364   1.292  -2.922   3.319
 1601TIP3   OH254365  -0.490  -2.921   4.260
 1601TIP3    H154366  -0.404  -2.882   4.244
 1601TIP3    H254367  -0.542  -2.841   4.278
 1602TIP3   OH254368   0.423  -2.539   3.699
 1602TIP3    H154369   0.424  -2.526   3.602
 1602TIP3    H254370   0.424  -2.448   3.732
 1602TIP3   OH254371  -0.197  -2.625   3.865
 1602TIP3    H154372  -0.183  -2.674   3.948
 1602TIP3    H254373  -0.281  -2.663   3.835
 1602TIP3   OH254374   0.752  -2.596   3.417
 1602TIP3    H154375   0.810  -2.662   3.374
 1602TIP3    H254376   0.746  -2.633   3.508
 1602TIP3   OH254377   0.691  -2.656   3.694
 1602TIP3    H154378   0.597  -2.637   3.712
 1602TIP3    H254379   0.710  -2.720   3.765
 1602TIP3   OH254380   0.000  -4.211   4.301
 1602TIP3    H154381  -0.068  -4.222   4.234
 1602TIP3    H254382   0.018  -4.115   4.301
 1602TIP3   OH254383   0.877  -3.364   3.295
 1602TIP3    H154384   0.858  -3.380   3.200
 1602TIP3    H254385   0.971  -3.337   3.290
 1602TIP3   OH254386   0.442  -3.993   3.341
 1602TIP3    H154387   0.389  -4.004   3.422
 1602TIP3    H254388   0.393  -4.054   3.282
 1602TIP3   OH254389   0.006  -3.707   3.884
 1602TIP3    H154390  -0.090  -3.716   3.867
 1602TIP3    H254391   0.042  -3.728   3.796
 1602TIP3   OH254392   0.566  -3.651   3.762
 1602TIP3    H154393   0.525  -3.569   3.727
 1602TIP3    H254394   0.633  -3.668   3.694
 1602TIP3   OH254395   0.644  -3.710   4.042
 1602TIP3    H154396   0.617  -3.653   3.967
 1602TIP3    H254397   0.666  -3.792   3.993
 1603TIP3   OH254398   0.085  -3.944   3.237
 1603TIP3    H154399   0.053  -3.977   3.323
 1603TIP3    H254400   0.004  -3.922   3.191
 1603TIP3   OH254401  -0.551  -3.931   3.936
 1603TIP3    H154402  -0.518  -3.958   4.023
 1603TIP3    H254403  -0.524  -4.003   3.878
 1603TIP3   OH254404  -0.416  -3.914   3.510
 1603TIP3    H154405  -0.360  -3.860   3.452
 1603TIP3    H254406  -0.486  -3.849   3.533
 1603TIP3   OH254407   0.274  -3.940   3.983
 1603TIP3    H154408   0.182  -3.959   4.006
 1603TIP3    H254409   0.321  -3.975   4.060
 1603TIP3   OH254410  -0.258  -3.823   3.849
 1603TIP3    H154411  -0.346  -3.802   3.813
 1603TIP3    H254412  -0.235  -3.908   3.805
 1603TIP3   OH254413   0.100  -3.790   3.623
 1603TIP3    H154414   0.197  -3.787   3.627
 1603TIP3    H254415   0.077  -3.731   3.549
 1603TIP3   OH254416   0.716  -4.071   4.268
 1603TIP3    H154417   0.686  -4.047   4.357
 1603TIP3    H254418   0.633  -4.076   4.218
 1603TIP3   OH254419  -0.054  -3.671   3.397
 1603TIP3    H154420  -0.111  -3.693   3.322
 1603TIP3    H254421   0.029  -3.648   3.350
 1603TIP3   OH254422   0.368  -3.707   4.193
 1603TIP3    H154423   0.439  -3.739   4.135
 1603TIP3    H254424   0.373  -3.772   4.265
 1603TIP3   OH254425  -0.103  -4.067   3.788
 1603TIP3    H154426  -0.148  -4.152   3.803
 1603TIP3    H254427  -0.015  -4.096   3.758
 1604TIP3   OH254428   0.292  -3.209   3.583
 1604TIP3    H154429   0.216  -3.260   3.546
 1604TIP3    H254430   0.273  -3.209   3.679
 1604TIP3   OH254431   0.711  -3.929   3.342
 1604TIP3    H154432   0.613  -3.938   3.346
 1604TIP3    H254433   0.730  -3.863   3.411
 1604TIP3   OH254434   0.776  -3.750   3.557
 1604TIP3    H154435   0.862  -3.763   3.602
 1604TIP3    H254436   0.785  -3.660   3.521
 1604TIP3   OH254437   0.533  -3.073   3.475
 1604TIP3    H154438   0.507  -2.986   3.512
 1604TIP3    H254439   0.457  -3.128   3.502
 1604TIP3   OH254440   1.238  -3.746   3.538
 1604TIP3    H154441   1.181  -3.765   3.461
 1604TIP3    H254442   1.249  -3.650   3.525
 1604TIP3   OH254443   1.052  -2.885   3.545
 1604TIP3    H154444   1.035  -2.960   3.603
 1604TIP3    H254445   1.112  -2.921   3.478
 1604TIP3   OH254446   0.765  -3.335   4.246
 1604TIP3    H154447   0.677  -3.370   4.271
 1604TIP3    H254448   0.806  -3.411   4.201
 1604TIP3   OH254449   0.048  -2.941   3.882
 1604TIP3    H154450   0.090  -2.855   3.872
 1604TIP3    H254451  -0.044  -2.920   3.861
 1604TIP3   OH254452  -0.355  -3.462   3.351
 1604TIP3    H154453  -0.298  -3.394   3.391
 1604TIP3    H254454  -0.443  -3.435   3.385
 1604TIP3   OH254455   0.219  -3.181   3.858
 1604TIP3    H154456   0.194  -3.087   3.863
 1604TIP3    H254457   0.143  -3.224   3.899
 1605TIP3   OH254458   0.089  -2.651   3.814
 1605TIP3    H154459  -0.006  -2.633   3.819
 1605TIP3    H254460   0.126  -2.565   3.839
 1605TIP3   OH254461   0.802  -3.043   3.335
 1605TIP3    H154462   0.845  -3.086   3.411
 1605TIP3    H254463   0.709  -3.055   3.362
 1605TIP3   OH254464   1.277  -2.616   3.389
 1605TIP3    H154465   1.346  -2.551   3.368
 1605TIP3    H254466   1.200  -2.557   3.392
 1605TIP3   OH254467   0.898  -3.182   3.573
 1605TIP3    H154468   0.872  -3.252   3.635
 1605TIP3    H254469   0.995  -3.181   3.583
 1605TIP3   OH254470   0.227  -2.936   3.194
 1605TIP3    H154471   0.256  -3.014   3.144
 1605TIP3    H254472   0.185  -2.976   3.272
 1605TIP3   OH254473   0.111  -2.986   3.466
 1605TIP3    H154474   0.164  -3.037   3.529
 1605TIP3    H254475   0.125  -2.894   3.497
 1605TIP3   OH254476  -0.205  -3.241   3.506
 1605TIP3    H154477  -0.278  -3.201   3.557
 1605TIP3    H254478  -0.158  -3.161   3.475
 1605TIP3   OH254479   0.638  -4.057   3.630
 1605TIP3    H154480   0.643  -3.996   3.556
 1605TIP3    H254481   0.671  -4.003   3.703
 1605TIP3   OH254482   0.404  -2.825   3.527
 1605TIP3    H154483   0.325  -2.773   3.547
 1605TIP3    H254484   0.443  -2.775   3.455
 1605TIP3   OH254485   0.368  -3.850   3.730
 1605TIP3    H154486   0.443  -3.789   3.746
 1605TIP3    H254487   0.338  -3.869   3.821
 1606TIP3   OH254488   0.430  -4.172   3.824
 1606TIP3    H154489   0.411  -4.100   3.887
 1606TIP3    H254490   0.495  -4.130   3.765
 1606TIP3   OH254491   0.124  -2.715   3.528
 1606TIP3    H154492   0.120  -2.635   3.472
 1606TIP3    H254493   0.113  -2.679   3.618
 1606TIP3   OH254494  -0.007  -4.051   3.478
 1606TIP3    H154495  -0.006  -3.972   3.535
 1606TIP3    H254496   0.080  -4.090   3.503
 1606TIP3   OH254497   0.878  -3.572   4.137
 1606TIP3    H154498   0.797  -3.618   4.109
 1606TIP3    H254499   0.931  -3.647   4.172
 1606TIP3   OH254500  -0.163  -2.962   3.382
 1606TIP3    H154501  -0.090  -2.910   3.420
 1606TIP3    H254502  -0.113  -3.010   3.313
 1606TIP3   OH254503  -0.350  -3.742   3.289
 1606TIP3    H154504  -0.334  -3.649   3.315
 1606TIP3    H254505  -0.443  -3.738   3.265
 1606TIP3   OH254506   1.015  -2.553   4.382
 1606TIP3    H154507   0.996  -2.473   4.329
 1606TIP3    H254508   1.060  -2.602   4.313
 1606TIP3   OH254509  -0.330  -4.241   4.180
 1606TIP3    H154510  -0.303  -4.242   4.088
 1606TIP3    H254511  -0.300  -4.331   4.206
 1606TIP3   OH254512  -0.368  -2.891   3.801
 1606TIP3    H154513  -0.444  -2.836   3.822
 1606TIP3    H254514  -0.326  -2.839   3.730
 1606TIP3   OH254515   0.449  -2.766   3.243
 1606TIP3    H154516   0.373  -2.828   3.234
 1606TIP3    H254517   0.520  -2.820   3.205
 1607TIP3   OH254518   0.911  -2.776   3.254
 1607TIP3    H154519   0.928  -2.856   3.307
 1607TIP3    H254520   0.991  -2.771   3.198
 1607TIP3   OH254521  -0.010  -3.194   3.227
 1607TIP3    H154522   0.009  -3.252   3.303
 1607TIP3    H254523   0.077  -3.195   3.182
 1607TIP3   OH254524   0.514  -3.061   3.189
 1607TIP3    H154525   0.511  -3.064   3.286
 1607TIP3    H254526   0.510  -3.157   3.168
 1607TIP3   OH254527   0.100  -3.385   3.462
 1607TIP3    H154528   0.040  -3.435   3.518
 1607TIP3    H254529   0.130  -3.454   3.398
 1607TIP3   OH254530   0.194  -3.584   3.286
 1607TIP3    H154531   0.192  -3.574   3.189
 1607TIP3    H254532   0.290  -3.588   3.303
 1607TIP3   OH254533   1.147  -3.333   3.218
 1607TIP3    H154534   1.135  -3.373   3.131
 1607TIP3    H254535   1.136  -3.238   3.196
 1607TIP3   OH254536   0.172  -2.463   3.396
 1607TIP3    H154537   0.267  -2.448   3.408
 1607TIP3    H254538   0.157  -2.414   3.313
 1607TIP3   OH254539  -0.437  -3.022   3.355
 1607TIP3    H154540  -0.342  -3.000   3.364
 1607TIP3    H254541  -0.434  -3.097   3.292
 1607TIP3   OH254542  -0.537  -2.501   3.823
 1607TIP3    H154543  -0.609  -2.539   3.769
 1607TIP3    H254544  -0.528  -2.570   3.892
 1607TIP3   OH254545  -0.494  -2.701   4.018
 1607TIP3    H154546  -0.535  -2.785   4.042
 1607TIP3    H254547  -0.464  -2.673   4.107
 1608TIP3   OH254548   1.273  -2.564   4.269
 1608TIP3    H154549   1.250  -2.578   4.363
 1608TIP3    H254550   1.370  -2.560   4.274
 1608TIP3   OH254551   1.186  -3.195   3.613
 1608TIP3    H154552   1.276  -3.162   3.630
 1608TIP3    H254553   1.177  -3.258   3.687
 1608TIP3   OH254554   1.235  -3.401   3.812
 1608TIP3    H154555   1.165  -3.454   3.855
 1608TIP3    H254556   1.301  -3.389   3.884
 1608TIP3   OH254557   1.228  -3.168   4.336
 1608TIP3    H154558   1.275  -3.218   4.269
 1608TIP3    H254559   1.215  -3.082   4.294
 1608TIP3   OH254560   1.258  -3.454   3.468
 1608TIP3    H154561   1.206  -3.426   3.390
 1608TIP3    H254562   1.243  -3.379   3.528
 1608TIP3   OH254563   1.084  -3.698   3.294
 1608TIP3    H154564   1.112  -3.638   3.224
 1608TIP3    H254565   1.059  -3.778   3.244
 1608TIP3   OH254566   1.023  -3.583   3.893
 1608TIP3    H154567   1.017  -3.678   3.875
 1608TIP3    H254568   0.987  -3.576   3.983
 1608TIP3   OH254569   1.026  -3.970   3.211
 1608TIP3    H154570   1.085  -4.012   3.275
 1608TIP3    H254571   0.943  -4.018   3.223
 1608TIP3   OH254572   1.008  -3.827   3.712
 1608TIP3    H154573   1.025  -3.924   3.717
 1608TIP3    H254574   1.090  -3.798   3.669
 1608TIP3   OH254575   1.031  -3.776   4.219
 1608TIP3    H154576   1.126  -3.773   4.235
 1608TIP3    H254577   0.994  -3.785   4.309
 1609TIP3   OH254578   1.039  -4.099   3.719
 1609TIP3    H154579   1.057  -4.149   3.800
 1609TIP3    H254580   0.976  -4.159   3.674
 1609TIP3   OH254581  -0.415  -3.982   4.194
 1609TIP3    H154582  -0.402  -4.079   4.199
 1609TIP3    H254583  -0.349  -3.952   4.257
 1609TIP3   OH254584  -0.581  -3.703   4.298
 1609TIP3    H154585  -0.538  -3.749   4.225
 1609TIP3    H254586  -0.533  -3.619   4.300
 1609TIP3   OH254587   1.252  -4.057   3.381
 1609TIP3    H154588   1.268  -4.142   3.335
 1609TIP3    H254589   1.338  -4.015   3.380
 1609TIP3   OH254590  -0.517  -4.110   3.685
 1609TIP3    H154591  -0.613  -4.097   3.674
 1609TIP3    H254592  -0.479  -4.036   3.635
 1609TIP3   OH254593   0.941  -2.569   3.899
 1609TIP3    H154594   0.995  -2.592   3.822
 1609TIP3    H254595   1.005  -2.532   3.961
 1609TIP3   OH254596  -0.335  -2.680   4.256
 1609TIP3    H154597  -0.307  -2.658   4.348
 1609TIP3    H254598  -0.247  -2.692   4.215
 1609TIP3   OH254599  -0.121  -2.771   4.117
 1609TIP3    H154600  -0.110  -2.867   4.131
 1609TIP3    H254601  -0.033  -2.739   4.147
 1609TIP3   OH254602   0.130  -2.707   4.213
 1609TIP3    H154603   0.172  -2.790   4.186
 1609TIP3    H254604   0.149  -2.707   4.307
 1609TIP3   OH254605   0.469  -4.109   4.126
 1609TIP3    H154606   0.408  -4.180   4.153
 1609TIP3    H254607   0.537  -4.160   4.077
 1610TIP3   OH254608   1.001  -4.350   4.148
 1610TIP3    H154609   1.055  -4.279   4.112
 1610TIP3    H254610   0.914  -4.311   4.162
 1610TIP3   OH254611   1.202  -4.223   3.959
 1610TIP3    H154612   1.250  -4.243   3.878
 1610TIP3    H254613   1.212  -4.127   3.969
 1610TIP3   OH254614  -0.292  -4.287   3.856
 1610TIP3    H154615  -0.387  -4.303   3.851
 1610TIP3    H254616  -0.259  -4.368   3.897
 1610TIP3   OH254617  -0.438  -4.284   3.469
 1610TIP3    H154618  -0.381  -4.229   3.413
 1610TIP3    H254619  -0.473  -4.221   3.534
 1610TIP3   OH254620   0.154  -4.235   3.889
 1610TIP3    H154621   0.248  -4.232   3.868
 1610TIP3    H254622   0.153  -4.287   3.970
 1610TIP3   OH254623   0.687  -4.269   4.012
 1610TIP3    H154624   0.751  -4.273   3.941
 1610TIP3    H254625   0.711  -4.346   4.068
 1610TIP3   OH254626   0.824  -4.272   3.618
 1610TIP3    H154627   0.747  -4.214   3.604
 1610TIP3    H254628   0.783  -4.359   3.625
 1610TIP3   OH254629  -0.392  -2.697   3.596
 1610TIP3    H154630  -0.454  -2.708   3.522
 1610TIP3    H254631  -0.391  -2.600   3.602
 1610TIP3   OH254632  -0.240  -4.110   3.315
 1610TIP3    H154633  -0.169  -4.158   3.268
 1610TIP3    H254634  -0.187  -4.064   3.383
 1610TIP3   OH254635   0.279  -4.058   3.561
 1610TIP3    H154636   0.290  -4.143   3.609
 1610TIP3    H254637   0.300  -3.991   3.628
 1611TIP3   OH254638   0.476  -2.514   3.406
 1611TIP3    H154639   0.573  -2.511   3.401
 1611TIP3    H254640   0.457  -2.579   3.336
 1611TIP3   OH254641   1.128  -2.611   3.664
 1611TIP3    H154642   1.103  -2.694   3.618
 1611TIP3    H254643   1.122  -2.547   3.591
 1611TIP3   OH254644  -0.251  -2.607   3.273
 1611TIP3    H154645  -0.270  -2.572   3.361
 1611TIP3    H254646  -0.168  -2.656   3.287
 1611TIP3   OH254647   2.477  -3.378   3.892
 1611TIP3    H154648   2.502  -3.292   3.932
 1611TIP3    H254649   2.390  -3.353   3.858
 1611TIP3   OH254650   2.383  -3.432   4.241
 1611TIP3    H154651   2.379  -3.499   4.313
 1611TIP3    H254652   2.362  -3.486   4.164
 1611TIP3   OH254653   2.734  -3.155   4.035
 1611TIP3    H154654   2.700  -3.222   4.097
 1611TIP3    H254655   2.777  -3.100   4.104
 1611TIP3   OH254656   1.698  -3.006   4.247
 1611TIP3    H154657   1.670  -3.097   4.224
 1611TIP3    H254658   1.793  -3.022   4.257
 1611TIP3   OH254659   1.394  -3.659   3.779
 1611TIP3    H154660   1.354  -3.571   3.788
 1611TIP3    H254661   1.322  -3.710   3.740
 1611TIP3   OH254662   1.469  -3.422   3.974
 1611TIP3    H154663   1.491  -3.498   4.031
 1611TIP3    H254664   1.553  -3.410   3.927
 1611TIP3   OH254665   2.445  -2.614   4.111
 1611TIP3    H154666   2.513  -2.679   4.085
 1611TIP3    H254667   2.423  -2.642   4.201
 1612TIP3   OH254668   2.190  -3.204   4.278
 1612TIP3    H154669   2.237  -3.269   4.224
 1612TIP3    H254670   2.268  -3.164   4.322
 1612TIP3   OH254671   2.543  -3.720   4.311
 1612TIP3    H154672   2.577  -3.806   4.342
 1612TIP3    H254673   2.537  -3.732   4.215
 1612TIP3   OH254674   1.851  -3.943   4.039
 1612TIP3    H154675   1.865  -3.856   3.998
 1612TIP3    H254676   1.817  -3.993   3.963
 1612TIP3   OH254677   2.646  -3.902   3.872
 1612TIP3    H154678   2.694  -3.957   3.938
 1612TIP3    H254679   2.721  -3.879   3.813
 1612TIP3   OH254680   1.555  -3.671   4.099
 1612TIP3    H154681   1.585  -3.740   4.159
 1612TIP3    H254682   1.548  -3.719   4.015
 1612TIP3   OH254683   2.060  -3.530   4.051
 1612TIP3    H154684   2.128  -3.591   4.086
 1612TIP3    H254685   2.010  -3.590   3.992
 1612TIP3   OH254686   2.484  -3.087   3.788
 1612TIP3    H154687   2.454  -3.093   3.697
 1612TIP3    H254688   2.447  -3.001   3.815
 1612TIP3   OH254689   2.825  -4.009   4.071
 1612TIP3    H154690   2.791  -4.066   4.142
 1612TIP3    H254691   2.879  -3.949   4.126
 1612TIP3   OH254692   1.774  -3.849   4.297
 1612TIP3    H154693   1.754  -3.756   4.281
 1612TIP3    H254694   1.768  -3.889   4.208
 1612TIP3   OH254695   1.462  -3.112   3.627
 1612TIP3    H154696   1.441  -3.062   3.546
 1612TIP3    H254697   1.478  -3.042   3.693
 1613TIP3   OH254698   2.827  -3.072   4.269
 1613TIP3    H154699   2.770  -3.075   4.349
 1613TIP3    H254700   2.901  -3.017   4.298
 1613TIP3   OH254701   2.138   4.380   4.167
 1613TIP3    H154702   2.150   4.288   4.194
 1613TIP3    H254703   2.068   4.412   4.228
 1613TIP3   OH254704   2.635  -2.772   3.954
 1613TIP3    H154705   2.688  -2.850   3.930
 1613TIP3    H254706   2.702  -2.701   3.948
 1613TIP3   OH254707   2.789  -2.993   3.819
 1613TIP3    H154708   2.724  -3.027   3.757
 1613TIP3    H254709   2.775  -3.051   3.897
 1613TIP3   OH254710   2.443  -3.597   3.394
 1613TIP3    H154711   2.524  -3.571   3.349
 1613TIP3    H254712   2.394  -3.635   3.319
 1613TIP3   OH254713   2.683  -3.460   3.729
 1613TIP3    H154714   2.647  -3.399   3.796
 1613TIP3    H254715   2.768  -3.486   3.771
 1613TIP3   OH254716   1.877  -3.332   3.924
 1613TIP3    H154717   1.837  -3.376   3.846
 1613TIP3    H254718   1.931  -3.402   3.963
 1613TIP3   OH254719   1.971  -3.019   4.157
 1613TIP3    H154720   1.998  -3.059   4.073
 1613TIP3    H254721   2.053  -3.020   4.209
 1613TIP3   OH254722   1.891  -3.455   4.268
 1613TIP3    H154723   1.963  -3.459   4.203
 1613TIP3    H254724   1.936  -3.422   4.347
 1613TIP3   OH254725   2.351  -2.812   3.856
 1613TIP3    H154726   2.403  -2.776   3.928
 1613TIP3    H254727   2.305  -2.734   3.822
 1614TIP3   OH254728   2.926  -4.319   3.415
 1614TIP3    H154729   2.885  -4.325   3.503
 1614TIP3    H254730   3.006  -4.270   3.438
 1614TIP3   OH254731   1.766  -3.464   3.679
 1614TIP3    H154732   1.743  -3.386   3.624
 1614TIP3    H254733   1.697  -3.526   3.654
 1614TIP3   OH254734   3.094  -2.868   3.312
 1614TIP3    H154735   3.116  -2.773   3.315
 1614TIP3    H254736   3.181  -2.909   3.326
 1614TIP3   OH254737   1.385  -2.920   4.234
 1614TIP3    H154738   1.481  -2.922   4.245
 1614TIP3    H254739   1.359  -2.843   4.286
 1614TIP3   OH254740   2.312  -2.539   3.699
 1614TIP3    H154741   2.309  -2.526   3.603
 1614TIP3    H254742   2.310  -2.448   3.733
 1614TIP3   OH254743   1.689  -2.625   3.861
 1614TIP3    H154744   1.703  -2.671   3.947
 1614TIP3    H254745   1.604  -2.661   3.834
 1614TIP3   OH254746   2.637  -2.595   3.416
 1614TIP3    H154747   2.692  -2.662   3.371
 1614TIP3    H254748   2.631  -2.633   3.506
 1614TIP3   OH254749   2.577  -2.657   3.694
 1614TIP3    H154750   2.483  -2.637   3.710
 1614TIP3    H254751   2.594  -2.720   3.766
 1614TIP3   OH254752   1.890  -4.213   4.297
 1614TIP3    H154753   1.818  -4.222   4.234
 1614TIP3    H254754   1.904  -4.116   4.303
 1614TIP3   OH254755   2.343  -3.993   3.343
 1614TIP3    H154756   2.288  -4.007   3.424
 1614TIP3    H254757   2.293  -4.050   3.281
 1615TIP3   OH254758   1.892  -3.705   3.884
 1615TIP3    H154759   1.796  -3.712   3.870
 1615TIP3    H254760   1.924  -3.727   3.795
 1615TIP3   OH254761   2.507  -3.705   4.017
 1615TIP3    H154762   2.522  -3.629   3.958
 1615TIP3    H254763   2.552  -3.779   3.969
 1615TIP3   OH254764   1.972  -3.942   3.239
 1615TIP3    H154765   1.931  -3.981   3.318
 1615TIP3    H254766   1.895  -3.920   3.183
 1615TIP3   OH254767   1.319  -3.947   3.941
 1615TIP3    H154768   1.370  -3.958   4.023
 1615TIP3    H254769   1.367  -3.998   3.875
 1615TIP3   OH254770   1.473  -3.911   3.514
 1615TIP3    H154771   1.524  -3.860   3.448
 1615TIP3    H254772   1.400  -3.847   3.532
 1615TIP3   OH254773   2.164  -3.941   3.971
 1615TIP3    H154774   2.071  -3.956   3.994
 1615TIP3    H254775   2.208  -3.973   4.053
 1615TIP3   OH254776   1.627  -3.825   3.850
 1615TIP3    H154777   1.541  -3.797   3.811
 1615TIP3    H254778   1.647  -3.908   3.803
 1615TIP3   OH254779   1.998  -3.796   3.622
 1615TIP3    H154780   2.089  -3.765   3.621
 1615TIP3    H254781   1.956  -3.742   3.552
 1615TIP3   OH254782   2.600  -4.070   4.267
 1615TIP3    H154783   2.571  -4.045   4.357
 1615TIP3    H254784   2.516  -4.078   4.219
 1615TIP3   OH254785   1.839  -3.677   3.401
 1615TIP3    H154786   1.776  -3.694   3.329
 1615TIP3    H254787   1.918  -3.654   3.348
 1616TIP3   OH254788   2.253  -3.706   4.190
 1616TIP3    H154789   2.322  -3.741   4.132
 1616TIP3    H254790   2.255  -3.769   4.264
 1616TIP3   OH254791   1.783  -4.067   3.790
 1616TIP3    H154792   1.734  -4.150   3.804
 1616TIP3    H254793   1.867  -4.099   3.754
 1616TIP3   OH254794   2.212  -3.252   3.595
 1616TIP3    H154795   2.131  -3.277   3.546
 1616TIP3    H254796   2.177  -3.225   3.682
 1616TIP3   OH254797   2.601  -3.895   3.372
 1616TIP3    H154798   2.505  -3.914   3.367
 1616TIP3    H254799   2.609  -3.829   3.442
 1616TIP3   OH254800   1.678  -3.299   4.174
 1616TIP3    H154801   1.737  -3.286   4.099
 1616TIP3    H254802   1.726  -3.368   4.223
 1616TIP3   OH254803   2.421  -3.072   3.479
 1616TIP3    H154804   2.388  -2.985   3.510
 1616TIP3    H254805   2.348  -3.131   3.505
 1616TIP3   OH254806   3.126  -3.743   3.544
 1616TIP3    H154807   3.073  -3.776   3.470
 1616TIP3    H254808   3.135  -3.648   3.523
 1616TIP3   OH254809   2.920  -2.899   3.535
 1616TIP3    H154810   2.934  -2.963   3.607
 1616TIP3    H254811   2.997  -2.911   3.477
 1616TIP3   OH254812   2.654  -3.336   4.236
 1616TIP3    H154813   2.571  -3.368   4.274
 1616TIP3    H254814   2.696  -3.417   4.202
 1616TIP3   OH254815   1.934  -2.944   3.868
 1616TIP3    H154816   1.971  -2.854   3.874
 1616TIP3    H254817   1.839  -2.924   3.867
 1617TIP3   OH254818   1.531  -3.464   3.353
 1617TIP3    H154819   1.586  -3.393   3.390
 1617TIP3    H254820   1.442  -3.436   3.383
 1617TIP3   OH254821   2.112  -3.172   3.851
 1617TIP3    H154822   2.080  -3.081   3.857
 1617TIP3    H254823   2.036  -3.221   3.886
 1617TIP3   OH254824   1.975  -2.651   3.813
 1617TIP3    H154825   1.879  -2.636   3.819
 1617TIP3    H254826   2.010  -2.564   3.838
 1617TIP3   OH254827   2.687  -3.061   3.331
 1617TIP3    H154828   2.732  -3.083   3.414
 1617TIP3    H254829   2.595  -3.057   3.363
 1617TIP3   OH254830   3.182  -2.599   3.359
 1617TIP3    H154831   3.252  -2.530   3.355
 1617TIP3    H254832   3.104  -2.541   3.362
 1617TIP3   OH254833   2.783  -3.196   3.567
 1617TIP3    H154834   2.763  -3.259   3.637
 1617TIP3    H254835   2.877  -3.178   3.581
 1617TIP3   OH254836   2.112  -2.936   3.196
 1617TIP3    H154837   2.139  -3.012   3.141
 1617TIP3    H254838   2.077  -2.981   3.275
 1617TIP3   OH254839   2.025  -3.005   3.478
 1617TIP3    H154840   2.038  -3.040   3.567
 1617TIP3    H254841   2.024  -2.909   3.496
 1617TIP3   OH254842   1.682  -3.240   3.507
 1617TIP3    H154843   1.607  -3.203   3.557
 1617TIP3    H254844   1.724  -3.158   3.474
 1617TIP3   OH254845   2.515  -4.055   3.635
 1617TIP3    H154846   2.539  -4.009   3.553
 1617TIP3    H254847   2.568  -4.011   3.703
 1618TIP3   OH254848   2.293  -2.825   3.528
 1618TIP3    H154849   2.210  -2.776   3.546
 1618TIP3    H254850   2.328  -2.774   3.454
 1618TIP3   OH254851   2.297  -3.792   3.745
 1618TIP3    H154852   2.374  -3.804   3.800
 1618TIP3    H254853   2.233  -3.845   3.796
 1618TIP3   OH254854   2.316  -4.173   3.829
 1618TIP3    H154855   2.296  -4.099   3.888
 1618TIP3    H254856   2.376  -4.132   3.763
 1618TIP3   OH254857   2.008  -2.726   3.524
 1618TIP3    H154858   2.003  -2.645   3.469
 1618TIP3    H254859   1.995  -2.689   3.614
 1618TIP3   OH254860   1.879  -4.053   3.480
 1618TIP3    H154861   1.880  -3.972   3.533
 1618TIP3    H254862   1.966  -4.092   3.501
 1618TIP3   OH254863   2.763  -3.576   4.124
 1618TIP3    H154864   2.680  -3.624   4.116
 1618TIP3    H254865   2.820  -3.646   4.166
 1618TIP3   OH254866   1.733  -2.967   3.388
 1618TIP3    H154867   1.799  -2.902   3.418
 1618TIP3    H254868   1.783  -3.011   3.317
 1618TIP3   OH254869   1.537  -3.744   3.293
 1618TIP3    H154870   1.549  -3.649   3.315
 1618TIP3    H254871   1.450  -3.743   3.251
 1618TIP3   OH254872   2.940  -2.481   4.380
 1618TIP3    H154873   2.908  -2.434   4.301
 1618TIP3    H254874   2.963  -2.565   4.339
 1618TIP3   OH254875   1.555  -4.242   4.179
 1618TIP3    H154876   1.583  -4.243   4.087
 1618TIP3    H254877   1.585  -4.331   4.206
 1619TIP3   OH254878   1.518  -2.892   3.797
 1619TIP3    H154879   1.443  -2.839   3.827
 1619TIP3    H254880   1.556  -2.836   3.729
 1619TIP3   OH254881   2.336  -2.767   3.245
 1619TIP3    H154882   2.260  -2.828   3.234
 1619TIP3    H254883   2.406  -2.818   3.203
 1619TIP3   OH254884   2.794  -2.781   3.252
 1619TIP3    H154885   2.829  -2.852   3.309
 1619TIP3    H254886   2.871  -2.761   3.195
 1619TIP3   OH254887   1.877  -3.189   3.229
 1619TIP3    H154888   1.894  -3.248   3.304
 1619TIP3    H254889   1.961  -3.195   3.181
 1619TIP3   OH254890   2.399  -3.058   3.188
 1619TIP3    H154891   2.393  -3.062   3.285
 1619TIP3    H254892   2.389  -3.153   3.166
 1619TIP3   OH254893   1.987  -3.386   3.458
 1619TIP3    H154894   1.921  -3.429   3.514
 1619TIP3    H254895   2.010  -3.457   3.395
 1619TIP3   OH254896   2.088  -3.588   3.288
 1619TIP3    H154897   2.072  -3.585   3.191
 1619TIP3    H254898   2.179  -3.560   3.293
 1619TIP3   OH254899   2.991  -3.353   3.181
 1619TIP3    H154900   3.062  -3.364   3.116
 1619TIP3    H254901   2.996  -3.256   3.197
 1619TIP3   OH254902   2.058  -2.465   3.395
 1619TIP3    H154903   2.153  -2.448   3.409
 1619TIP3    H254904   2.043  -2.414   3.315
 1619TIP3   OH254905   1.450  -3.020   3.351
 1619TIP3    H154906   1.545  -3.003   3.364
 1619TIP3    H254907   1.451  -3.098   3.292
 1620TIP3   OH254908   1.351  -2.503   3.822
 1620TIP3    H154909   1.277  -2.538   3.770
 1620TIP3    H254910   1.357  -2.569   3.894
 1620TIP3   OH254911   1.391  -2.703   4.018
 1620TIP3    H154912   1.360  -2.790   4.049
 1620TIP3    H254913   1.414  -2.664   4.105
 1620TIP3   OH254914   3.163  -2.598   4.268
 1620TIP3    H154915   3.146  -2.591   4.364
 1620TIP3    H254916   3.253  -2.563   4.265
 1620TIP3   OH254917   3.070  -3.199   3.614
 1620TIP3    H154918   3.159  -3.159   3.625
 1620TIP3    H254919   3.069  -3.259   3.691
 1620TIP3   OH254920   3.115  -3.401   3.813
 1620TIP3    H154921   3.052  -3.460   3.859
 1620TIP3    H254922   3.185  -3.389   3.880
 1620TIP3   OH254923   3.100  -3.173   4.325
 1620TIP3    H154924   3.171  -3.216   4.275
 1620TIP3    H254925   3.110  -3.080   4.299
 1620TIP3   OH254926   3.134  -3.456   3.465
 1620TIP3    H154927   3.084  -3.417   3.392
 1620TIP3    H254928   3.134  -3.383   3.529
 1620TIP3   OH254929   2.923  -3.678   3.246
 1620TIP3    H154930   3.007  -3.643   3.212
 1620TIP3    H254931   2.938  -3.775   3.243
 1620TIP3   OH254932   2.894  -3.593   3.879
 1620TIP3    H154933   2.898  -3.689   3.878
 1620TIP3    H254934   2.868  -3.575   3.971
 1620TIP3   OH254935   1.397  -3.410   4.259
 1620TIP3    H154936   1.431  -3.370   4.177
 1620TIP3    H254937   1.473  -3.402   4.319
 1621TIP3   OH254938   2.907  -3.961   3.223
 1621TIP3    H154939   2.971  -4.016   3.272
 1621TIP3    H254940   2.833  -4.022   3.210
 1621TIP3   OH254941   2.844  -3.824   3.687
 1621TIP3    H154942   2.881  -3.915   3.693
 1621TIP3    H254943   2.922  -3.774   3.658
 1621TIP3   OH254944   2.916  -3.773   4.219
 1621TIP3    H154945   3.012  -3.773   4.234
 1621TIP3    H254946   2.881  -3.786   4.309
 1621TIP3   OH254947   2.920  -4.086   3.722
 1621TIP3    H154948   2.951  -4.134   3.800
 1621TIP3    H254949   2.869  -4.155   3.676
 1621TIP3   OH254950   1.474  -3.981   4.188
 1621TIP3    H154951   1.486  -4.079   4.197
 1621TIP3    H254952   1.531  -3.951   4.259
 1621TIP3   OH254953   1.309  -3.698   4.302
 1621TIP3    H154954   1.351  -3.734   4.223
 1621TIP3    H254955   1.336  -3.604   4.297
 1621TIP3   OH254956   3.138  -4.054   3.377
 1621TIP3    H154957   3.153  -4.141   3.335
 1621TIP3    H254958   3.227  -4.017   3.382
 1621TIP3   OH254959   1.369  -4.103   3.691
 1621TIP3    H154960   1.274  -4.095   3.672
 1621TIP3    H254961   1.409  -4.034   3.634
 1621TIP3   OH254962   2.828  -2.573   3.897
 1621TIP3    H154963   2.884  -2.594   3.821
 1621TIP3    H254964   2.890  -2.531   3.958
 1621TIP3   OH254965   1.531  -2.662   4.262
 1621TIP3    H154966   1.565  -2.660   4.354
 1621TIP3    H254967   1.614  -2.681   4.214
 1622TIP3   OH254968   1.753  -2.752   4.115
 1622TIP3    H154969   1.740  -2.845   4.143
 1622TIP3    H254970   1.844  -2.734   4.147
 1622TIP3   OH254971   2.020  -2.703   4.213
 1622TIP3    H154972   2.052  -2.790   4.185
 1622TIP3    H254973   2.033  -2.709   4.309
 1622TIP3   OH254974   2.355  -4.108   4.125
 1622TIP3    H154975   2.293  -4.177   4.154
 1622TIP3    H254976   2.421  -4.161   4.076
 1622TIP3   OH254977   2.889  -4.346   4.154
 1622TIP3    H154978   2.941  -4.281   4.107
 1622TIP3    H254979   2.800  -4.311   4.159
 1622TIP3   OH254980   3.075  -4.218   3.952
 1622TIP3    H154981   3.139  -4.246   3.886
 1622TIP3    H254982   3.103  -4.126   3.970
 1622TIP3   OH254983   1.593  -4.284   3.863
 1622TIP3    H154984   1.501  -4.305   3.845
 1622TIP3    H254985   1.627  -4.369   3.895
 1622TIP3   OH254986   1.454  -4.290   3.488
 1622TIP3    H154987   1.497  -4.241   3.416
 1622TIP3    H254988   1.413  -4.218   3.539
 1622TIP3   OH254989   2.043  -4.238   3.882
 1622TIP3    H154990   2.140  -4.234   3.873
 1622TIP3    H254991   2.033  -4.287   3.965
 1622TIP3   OH254992   2.574  -4.268   4.011
 1622TIP3    H154993   2.638  -4.276   3.940
 1622TIP3    H254994   2.595  -4.345   4.068
 1622TIP3   OH254995   2.707  -4.271   3.620
 1622TIP3    H154996   2.626  -4.222   3.600
 1622TIP3    H254997   2.675  -4.362   3.629
 1623TIP3   OH254998   1.496  -2.697   3.592
 1623TIP3    H154999   1.431  -2.707   3.521
 1623TIP3    H255000   1.493  -2.601   3.603
 1623TIP3   OH255001   1.643  -4.125   3.329
 1623TIP3    H155002   1.714  -4.161   3.272
 1623TIP3    H255003   1.695  -4.072   3.392
 1623TIP3   OH255004   2.186  -4.050   3.566
 1623TIP3    H155005   2.184  -4.141   3.604
 1623TIP3    H255006   2.147  -3.996   3.635
 1623TIP3   OH255007   2.362  -2.513   3.405
 1623TIP3    H155008   2.459  -2.511   3.399
 1623TIP3    H255009   2.342  -2.579   3.336
 1623TIP3   OH255010   3.020  -2.611   3.651
 1623TIP3    H155011   2.988  -2.691   3.606
 1623TIP3    H255012   3.004  -2.543   3.582
 1623TIP3   OH255013   1.637  -2.604   3.273
 1623TIP3    H155014   1.614  -2.573   3.362
 1623TIP3    H255015   1.717  -2.655   3.288
 1623TIP3   OH255016   4.266  -3.443   4.211
 1623TIP3    H155017   4.253  -3.490   4.295
 1623TIP3    H255018   4.223  -3.501   4.147
 1623TIP3   OH255019   3.584  -3.007   4.243
 1623TIP3    H155020   3.558  -3.099   4.223
 1623TIP3    H255021   3.680  -3.021   4.253
 1623TIP3   OH255022   3.278  -3.665   3.779
 1623TIP3    H155023   3.245  -3.574   3.790
 1623TIP3    H255024   3.205  -3.707   3.731
 1623TIP3   OH255025   3.352  -3.426   3.966
 1623TIP3    H155026   3.376  -3.496   4.030
 1623TIP3    H255027   3.439  -3.403   3.931
 1624TIP3   OH255028   4.063  -3.227   4.282
 1624TIP3    H155029   4.115  -3.272   4.214
 1624TIP3    H255030   4.136  -3.179   4.327
 1624TIP3   OH255031   3.734  -3.941   4.041
 1624TIP3    H155032   3.754  -3.856   3.999
 1624TIP3    H255033   3.702  -3.991   3.963
 1624TIP3   OH255034   3.433  -3.674   4.100
 1624TIP3    H155035   3.477  -3.737   4.157
 1624TIP3    H255036   3.437  -3.719   4.014
 1624TIP3   OH255037   3.944  -3.533   4.054
 1624TIP3    H155038   4.016  -3.593   4.081
 1624TIP3    H255039   3.895  -3.590   3.993
 1624TIP3   OH255040   3.657  -3.852   4.297
 1624TIP3    H155041   3.650  -3.757   4.281
 1624TIP3    H255042   3.659  -3.891   4.207
 1624TIP3   OH255043   3.341  -3.112   3.628
 1624TIP3    H155044   3.330  -3.062   3.544
 1624TIP3    H255045   3.362  -3.041   3.693
 1624TIP3   OH255046   4.022   4.378   4.162
 1624TIP3    H155047   4.041   4.288   4.193
 1624TIP3    H255048   3.959   4.411   4.229
 1624TIP3   OH255049   4.259  -3.431   3.630
 1624TIP3    H155050   4.197  -3.357   3.614
 1624TIP3    H255051   4.333  -3.408   3.575
 1624TIP3   OH255052   4.288  -3.581   3.348
 1624TIP3    H155053   4.365  -3.584   3.407
 1624TIP3    H255054   4.298  -3.660   3.295
 1624TIP3   OH255055   3.757  -3.337   3.928
 1624TIP3    H155056   3.725  -3.380   3.847
 1624TIP3    H255057   3.820  -3.401   3.963
 1625TIP3   OH255058   3.856  -3.025   4.157
 1625TIP3    H155059   3.889  -3.060   4.074
 1625TIP3    H255060   3.936  -3.015   4.211
 1625TIP3   OH255061   3.788  -3.472   4.280
 1625TIP3    H155062   3.849  -3.461   4.205
 1625TIP3    H255063   3.812  -3.399   4.339
 1625TIP3   OH255064   4.253  -2.813   3.845
 1625TIP3    H155065   4.300  -2.764   3.914
 1625TIP3    H255066   4.201  -2.743   3.803
 1625TIP3   OH255067   3.651  -3.463   3.681
 1625TIP3    H155068   3.632  -3.386   3.624
 1625TIP3    H255069   3.584  -3.526   3.652
 1625TIP3   OH255070   3.269  -2.920   4.237
 1625TIP3    H155071   3.365  -2.920   4.246
 1625TIP3    H255072   3.245  -2.836   4.280
 1625TIP3   OH255073   4.188  -2.539   3.699
 1625TIP3    H155074   4.203  -2.532   3.603
 1625TIP3    H255075   4.205  -2.450   3.731
 1625TIP3   OH255076   3.574  -2.628   3.860
 1625TIP3    H155077   3.590  -2.671   3.947
 1625TIP3    H255078   3.485  -2.661   3.840
 1625TIP3   OH255079   3.767  -4.210   4.304
 1625TIP3    H155080   3.705  -4.218   4.231
 1625TIP3    H255081   3.792  -4.116   4.305
 1625TIP3   OH255082   4.226  -3.990   3.349
 1625TIP3    H155083   4.160  -4.003   3.419
 1625TIP3    H255084   4.191  -4.052   3.282
 1625TIP3   OH255085   3.777  -3.707   3.885
 1625TIP3    H155086   3.681  -3.713   3.868
 1625TIP3    H255087   3.812  -3.725   3.795
 1626TIP3   OH255088   4.274  -3.668   3.813
 1626TIP3    H155089   4.270  -3.578   3.777
 1626TIP3    H255090   4.329  -3.715   3.751
 1626TIP3   OH255091   3.860  -3.935   3.238
 1626TIP3    H155092   3.821  -3.978   3.316
 1626TIP3    H255093   3.785  -3.926   3.178
 1626TIP3   OH255094   3.197  -3.958   3.945
 1626TIP3    H155095   3.254  -3.955   4.023
 1626TIP3    H255096   3.255  -3.992   3.876
 1626TIP3   OH255097   3.357  -3.913   3.515
 1626TIP3    H155098   3.411  -3.863   3.450
 1626TIP3    H255099   3.289  -3.846   3.535
 1626TIP3   OH255100   4.044  -3.961   3.982
 1626TIP3    H155101   3.952  -3.963   4.013
 1626TIP3    H255102   4.093  -3.968   4.066
 1626TIP3   OH255103   3.507  -3.827   3.854
 1626TIP3    H155104   3.427  -3.797   3.808
 1626TIP3    H255105   3.535  -3.907   3.805
 1626TIP3   OH255106   3.867  -3.790   3.622
 1626TIP3    H155107   3.964  -3.788   3.626
 1626TIP3    H255108   3.845  -3.731   3.548
 1626TIP3   OH255109   3.721  -3.669   3.396
 1626TIP3    H155110   3.663  -3.696   3.324
 1626TIP3    H255111   3.804  -3.652   3.348
 1626TIP3   OH255112   4.131  -3.713   4.152
 1626TIP3    H155113   4.196  -3.757   4.096
 1626TIP3    H255114   4.150  -3.753   4.239
 1626TIP3   OH255115   3.668  -4.066   3.792
 1626TIP3    H155116   3.624  -4.152   3.803
 1626TIP3    H255117   3.752  -4.091   3.750
 1627TIP3   OH255118   4.073  -3.224   3.586
 1627TIP3    H155119   3.994  -3.269   3.549
 1627TIP3    H255120   4.050  -3.215   3.681
 1627TIP3   OH255121   3.560  -3.307   4.170
 1627TIP3    H155122   3.625  -3.287   4.100
 1627TIP3    H255123   3.609  -3.370   4.224
 1627TIP3   OH255124   4.287  -3.081   3.482
 1627TIP3    H155125   4.259  -2.992   3.511
 1627TIP3    H255126   4.212  -3.135   3.514
 1627TIP3   OH255127   3.816  -2.944   3.870
 1627TIP3    H155128   3.857  -2.856   3.875
 1627TIP3    H255129   3.723  -2.921   3.866
 1627TIP3   OH255130   3.417  -3.463   3.352
 1627TIP3    H155131   3.479  -3.397   3.390
 1627TIP3    H255132   3.332  -3.426   3.382
 1627TIP3   OH255133   3.994  -3.174   3.856
 1627TIP3    H155134   3.966  -3.081   3.859
 1627TIP3    H255135   3.916  -3.220   3.892
 1627TIP3   OH255136   3.861  -2.650   3.812
 1627TIP3    H155137   3.765  -2.635   3.820
 1627TIP3    H255138   3.897  -2.563   3.838
 1627TIP3   OH255139   3.995  -2.933   3.195
 1627TIP3    H155140   4.028  -3.009   3.144
 1627TIP3    H255141   3.958  -2.977   3.273
 1627TIP3   OH255142   3.887  -2.990   3.468
 1627TIP3    H155143   3.934  -3.038   3.538
 1627TIP3    H255144   3.897  -2.898   3.498
 1627TIP3   OH255145   3.565  -3.242   3.505
 1627TIP3    H155146   3.493  -3.201   3.557
 1627TIP3    H255147   3.612  -3.162   3.475
 1628TIP3   OH255148   4.168  -2.825   3.520
 1628TIP3    H155149   4.089  -2.774   3.545
 1628TIP3    H255150   4.210  -2.766   3.456
 1628TIP3   OH255151   4.123  -3.874   3.731
 1628TIP3    H155152   4.180  -3.799   3.759
 1628TIP3    H255153   4.089  -3.899   3.819
 1628TIP3   OH255154   4.194  -4.169   3.848
 1628TIP3    H155155   4.175  -4.084   3.894
 1628TIP3    H255156   4.271  -4.146   3.793
 1628TIP3   OH255157   3.893  -2.718   3.527
 1628TIP3    H155158   3.890  -2.636   3.473
 1628TIP3    H255159   3.881  -2.683   3.618
 1628TIP3   OH255160   3.766  -4.051   3.481
 1628TIP3    H155161   3.768  -3.967   3.531
 1628TIP3    H255162   3.855  -4.085   3.500
 1628TIP3   OH255163   3.610  -2.962   3.382
 1628TIP3    H155164   3.681  -2.909   3.422
 1628TIP3    H255165   3.662  -3.011   3.316
 1628TIP3   OH255166   3.422  -3.747   3.301
 1628TIP3    H155167   3.438  -3.652   3.318
 1628TIP3    H255168   3.347  -3.745   3.241
 1628TIP3   OH255169   3.438  -4.245   4.178
 1628TIP3    H155170   3.470  -4.243   4.087
 1628TIP3    H255171   3.472  -4.332   4.206
 1628TIP3   OH255172   3.400  -2.892   3.792
 1628TIP3    H155173   3.327  -2.835   3.820
 1628TIP3    H255174   3.445  -2.836   3.727
 1628TIP3   OH255175   4.231  -2.768   3.224
 1628TIP3    H155176   4.147  -2.819   3.227
 1628TIP3    H255177   4.293  -2.842   3.211
 1629TIP3   OH255178   3.762  -3.194   3.227
 1629TIP3    H155179   3.781  -3.251   3.303
 1629TIP3    H255180   3.848  -3.194   3.181
 1629TIP3   OH255181   4.263  -3.061   3.183
 1629TIP3    H155182   4.276  -3.050   3.279
 1629TIP3    H255183   4.244  -3.156   3.177
 1629TIP3   OH255184   3.869  -3.386   3.458
 1629TIP3    H155185   3.810  -3.438   3.514
 1629TIP3    H255186   3.903  -3.454   3.397
 1629TIP3   OH255187   3.978  -3.585   3.290
 1629TIP3    H155188   3.970  -3.578   3.193
 1629TIP3    H255189   4.074  -3.574   3.302
 1629TIP3   OH255190   3.957  -2.463   3.400
 1629TIP3    H155191   4.053  -2.453   3.404
 1629TIP3    H255192   3.938  -2.414   3.319
 1629TIP3   OH255193   3.333  -3.024   3.359
 1629TIP3    H155194   3.428  -2.999   3.363
 1629TIP3    H255195   3.334  -3.093   3.290
 1629TIP3   OH255196   3.236  -2.501   3.825
 1629TIP3    H155197   3.167  -2.538   3.767
 1629TIP3    H255198   3.243  -2.570   3.894
 1629TIP3   OH255199   3.278  -2.705   4.016
 1629TIP3    H155200   3.246  -2.791   4.048
 1629TIP3    H255201   3.299  -2.666   4.103
 1629TIP3   OH255202   3.283  -3.410   4.260
 1629TIP3    H155203   3.319  -3.369   4.180
 1629TIP3    H255204   3.358  -3.405   4.321
 1629TIP3   OH255205   3.357  -3.983   4.188
 1629TIP3    H155206   3.372  -4.080   4.197
 1629TIP3    H255207   3.418  -3.949   4.255
 1630TIP3   OH255208   3.193  -3.698   4.301
 1630TIP3    H155209   3.241  -3.734   4.225
 1630TIP3    H255210   3.222  -3.605   4.298
 1630TIP3   OH255211   3.255  -4.105   3.688
 1630TIP3    H155212   3.160  -4.089   3.674
 1630TIP3    H255213   3.297  -4.034   3.634
 1630TIP3   OH255214   3.427  -2.665   4.259
 1630TIP3    H155215   3.456  -2.662   4.353
 1630TIP3    H255216   3.513  -2.684   4.216
 1630TIP3   OH255217   3.643  -2.754   4.111
 1630TIP3    H155218   3.627  -2.845   4.141
 1630TIP3    H255219   3.732  -2.735   4.147
 1630TIP3   OH255220   3.907  -2.701   4.213
 1630TIP3    H155221   3.940  -2.787   4.185
 1630TIP3    H255222   3.918  -2.707   4.309
 1630TIP3   OH255223   4.253  -4.129   4.132
 1630TIP3    H155224   4.184  -4.192   4.157
 1630TIP3    H255225   4.301  -4.178   4.065
 1630TIP3   OH255226   3.477  -4.284   3.864
 1630TIP3    H155227   3.386  -4.311   3.845
 1630TIP3    H255228   3.517  -4.366   3.895
 1630TIP3   OH255229   3.334  -4.290   3.486
 1630TIP3    H155230   3.383  -4.243   3.416
 1630TIP3    H255231   3.303  -4.216   3.541
 1630TIP3   OH255232   3.934  -4.256   3.874
 1630TIP3    H155233   4.027  -4.226   3.872
 1630TIP3    H255234   3.928  -4.287   3.966
 1630TIP3   OH255235   3.357  -2.696   3.577
 1630TIP3    H155236   3.297  -2.696   3.501
 1630TIP3    H255237   3.365  -2.601   3.592
 1631TIP3   OH255238   3.528  -4.126   3.332
 1631TIP3    H155239   3.598  -4.162   3.274
 1631TIP3    H255240   3.582  -4.074   3.394
 1631TIP3   OH255241   4.050  -4.068   3.556
 1631TIP3    H155242   4.065  -4.151   3.604
 1631TIP3    H255243   4.065  -4.000   3.625
 1631TIP3   OH255244   4.264  -2.534   3.404
 1631TIP3    H155245   4.351  -2.494   3.385
 1631TIP3    H255246   4.249  -2.590   3.326
 1631TIP3   OH255247   3.525  -2.604   3.279
 1631TIP3    H155248   3.504  -2.573   3.368
 1631TIP3    H255249   3.606  -2.655   3.292
 1631TIP3   OH255250  -3.168  -1.484   3.922
 1631TIP3    H155251  -3.161  -1.387   3.930
 1631TIP3    H255252  -3.237  -1.492   3.856
 1631TIP3   OH255253  -3.268  -1.545   4.247
 1631TIP3    H155254  -3.278  -1.620   4.308
 1631TIP3    H255255  -3.283  -1.586   4.161
 1631TIP3   OH255256  -2.915  -1.270   4.039
 1631TIP3    H155257  -2.954  -1.335   4.099
 1631TIP3    H255258  -2.879  -1.209   4.107
 1631TIP3   OH255259  -3.960  -1.124   4.243
 1631TIP3    H155260  -3.978  -1.218   4.226
 1631TIP3    H255261  -3.863  -1.132   4.254
 1631TIP3   OH255262  -4.259  -1.777   3.711
 1631TIP3    H155263  -4.293  -1.702   3.764
 1631TIP3    H255264  -4.332  -1.837   3.725
 1631TIP3   OH255265  -4.172  -1.505   4.009
 1631TIP3    H155266  -4.205  -1.595   4.026
 1631TIP3    H255267  -4.139  -1.515   3.919
 1632TIP3   OH255268  -3.209  -0.727   4.113
 1632TIP3    H155269  -3.146  -0.795   4.084
 1632TIP3    H255270  -3.236  -0.758   4.201
 1632TIP3   OH255271  -3.467  -1.317   4.280
 1632TIP3    H155272  -3.422  -1.380   4.222
 1632TIP3    H255273  -3.386  -1.278   4.322
 1632TIP3   OH255274  -3.120  -1.851   4.325
 1632TIP3    H155275  -3.071  -1.934   4.334
 1632TIP3    H255276  -3.110  -1.831   4.230
 1632TIP3   OH255277  -3.799  -2.057   4.039
 1632TIP3    H155278  -3.790  -1.969   3.998
 1632TIP3    H255279  -3.840  -2.106   3.965
 1632TIP3   OH255280  -3.024  -2.031   3.873
 1632TIP3    H155281  -2.967  -2.075   3.940
 1632TIP3    H255282  -2.958  -1.999   3.810
 1632TIP3   OH255283  -4.113  -1.791   4.104
 1632TIP3    H155284  -4.077  -1.859   4.160
 1632TIP3    H255285  -4.113  -1.835   4.018
 1632TIP3   OH255286  -3.600  -1.645   4.054
 1632TIP3    H155287  -3.528  -1.703   4.083
 1632TIP3    H255288  -3.647  -1.704   3.992
 1632TIP3   OH255289  -3.172  -1.198   3.793
 1632TIP3    H155290  -3.200  -1.216   3.703
 1632TIP3    H255291  -3.215  -1.113   3.811
 1632TIP3   OH255292  -2.878  -2.085   4.109
 1632TIP3    H155293  -2.909  -2.148   4.176
 1632TIP3    H255294  -2.804  -2.044   4.158
 1632TIP3   OH255295  -3.872  -1.956   4.296
 1632TIP3    H155296  -3.904  -1.867   4.280
 1632TIP3    H255297  -3.892  -2.004   4.214
 1633TIP3   OH255298  -4.183  -1.233   3.629
 1633TIP3    H155299  -4.264  -1.218   3.575
 1633TIP3    H255300  -4.195  -1.169   3.701
 1633TIP3   OH255301  -2.842  -1.135   4.257
 1633TIP3    H155302  -2.905  -1.146   4.331
 1633TIP3    H255303  -2.774  -1.081   4.298
 1633TIP3   OH255304  -3.507  -2.418   4.184
 1633TIP3    H155305  -3.516  -2.514   4.182
 1633TIP3    H255306  -3.593  -2.390   4.221
 1633TIP3   OH255307  -3.019  -0.887   3.965
 1633TIP3    H155308  -2.972  -0.967   3.934
 1633TIP3    H255309  -2.953  -0.818   3.945
 1633TIP3   OH255310  -2.874  -1.103   3.821
 1633TIP3    H155311  -2.928  -1.148   3.756
 1633TIP3    H255312  -2.880  -1.165   3.897
 1633TIP3   OH255313  -3.296  -1.530   3.642
 1633TIP3    H155314  -3.362  -1.468   3.605
 1633TIP3    H255315  -3.224  -1.523   3.577
 1633TIP3   OH255316  -3.266  -1.714   3.349
 1633TIP3    H155317  -3.197  -1.679   3.408
 1633TIP3    H255318  -3.212  -1.766   3.288
 1633TIP3   OH255319  -2.947  -1.529   3.750
 1633TIP3    H155320  -3.013  -1.503   3.818
 1633TIP3    H255321  -2.888  -1.586   3.803
 1633TIP3   OH255322  -3.781  -1.446   3.925
 1633TIP3    H155323  -3.820  -1.490   3.848
 1633TIP3    H255324  -3.725  -1.515   3.963
 1633TIP3   OH255325  -3.684  -1.135   4.159
 1633TIP3    H155326  -3.662  -1.170   4.071
 1633TIP3    H255327  -3.599  -1.138   4.206
 1634TIP3   OH255328  -3.765  -1.578   4.273
 1634TIP3    H155329  -3.699  -1.576   4.201
 1634TIP3    H255330  -3.723  -1.525   4.342
 1634TIP3   OH255331  -3.049  -1.584   3.493
 1634TIP3    H155332  -3.003  -1.556   3.575
 1634TIP3    H255333  -3.000  -1.533   3.425
 1634TIP3   OH255334  -3.303  -0.925   3.853
 1634TIP3    H155335  -3.257  -0.891   3.930
 1634TIP3    H255336  -3.353  -0.848   3.822
 1634TIP3   OH255337  -2.709  -2.410   3.451
 1634TIP3    H155338  -2.794  -2.392   3.496
 1634TIP3    H255339  -2.672  -2.321   3.441
 1634TIP3   OH255340  -3.891  -1.577   3.678
 1634TIP3    H155341  -3.915  -1.500   3.624
 1634TIP3    H255342  -3.959  -1.641   3.655
 1634TIP3   OH255343  -2.566  -0.997   3.296
 1634TIP3    H155344  -2.551  -0.903   3.322
 1634TIP3    H255345  -2.480  -1.037   3.317
 1634TIP3   OH255346  -4.274  -1.061   4.241
 1634TIP3    H155347  -4.180  -1.038   4.241
 1634TIP3    H255348  -4.311  -0.982   4.284
 1634TIP3   OH255349  -3.348  -0.653   3.700
 1634TIP3    H155350  -3.349  -0.642   3.603
 1634TIP3    H255351  -3.345  -0.561   3.732
 1634TIP3   OH255352  -3.976  -0.739   3.863
 1634TIP3    H155353  -3.954  -0.782   3.948
 1634TIP3    H255354  -4.055  -0.790   3.839
 1634TIP3   OH255355  -3.019  -0.710   3.418
 1634TIP3    H155356  -2.962  -0.776   3.374
 1634TIP3    H255357  -3.025  -0.748   3.508
 1635TIP3   OH255358  -3.079  -0.767   3.698
 1635TIP3    H155359  -3.175  -0.752   3.712
 1635TIP3    H255360  -3.065  -0.840   3.761
 1635TIP3   OH255361  -3.752  -2.329   4.294
 1635TIP3    H155362  -3.836  -2.346   4.246
 1635TIP3    H255363  -3.753  -2.233   4.304
 1635TIP3   OH255364  -2.894  -1.477   3.295
 1635TIP3    H155365  -2.914  -1.494   3.201
 1635TIP3    H255366  -2.800  -1.452   3.289
 1635TIP3   OH255367  -3.330  -2.104   3.340
 1635TIP3    H155368  -3.380  -2.103   3.423
 1635TIP3    H255369  -3.376  -2.173   3.291
 1635TIP3   OH255370  -3.767  -1.821   3.884
 1635TIP3    H155371  -3.863  -1.826   3.868
 1635TIP3    H255372  -3.734  -1.842   3.794
 1635TIP3   OH255373  -3.207  -1.765   3.763
 1635TIP3    H155374  -3.247  -1.683   3.727
 1635TIP3    H255375  -3.138  -1.781   3.697
 1635TIP3   OH255376  -3.128  -1.824   4.044
 1635TIP3    H155377  -3.156  -1.769   3.968
 1635TIP3    H255378  -3.104  -1.906   3.996
 1635TIP3   OH255379  -3.684  -2.059   3.238
 1635TIP3    H155380  -3.726  -2.092   3.319
 1635TIP3    H255381  -3.760  -2.035   3.183
 1635TIP3   OH255382  -4.326  -2.049   3.943
 1635TIP3    H155383  -4.301  -2.071   4.034
 1635TIP3    H255384  -4.280  -2.116   3.893
 1635TIP3   OH255385  -4.203  -2.017   3.522
 1635TIP3    H155386  -4.151  -1.979   3.448
 1635TIP3    H255387  -4.277  -1.955   3.526
 1636TIP3   OH255388  -3.499  -2.064   3.982
 1636TIP3    H155389  -3.593  -2.067   4.008
 1636TIP3    H255390  -3.455  -2.082   4.066
 1636TIP3   OH255391  -4.041  -1.933   3.848
 1636TIP3    H155392  -4.121  -1.907   3.798
 1636TIP3    H255393  -4.015  -2.016   3.805
 1636TIP3   OH255394  -3.669  -1.912   3.617
 1636TIP3    H155395  -3.574  -1.896   3.626
 1636TIP3    H255396  -3.697  -1.847   3.549
 1636TIP3   OH255397  -3.057  -2.196   4.285
 1636TIP3    H155398  -3.091  -2.163   4.370
 1636TIP3    H255399  -3.134  -2.188   4.225
 1636TIP3   OH255400  -3.822  -1.784   3.399
 1636TIP3    H155401  -3.885  -1.809   3.330
 1636TIP3    H255402  -3.743  -1.763   3.347
 1636TIP3   OH255403  -3.401  -1.822   4.188
 1636TIP3    H155404  -3.326  -1.853   4.134
 1636TIP3    H255405  -3.397  -1.882   4.263
 1636TIP3   OH255406  -3.871  -2.172   3.792
 1636TIP3    H155407  -3.918  -2.256   3.799
 1636TIP3    H255408  -3.790  -2.197   3.745
 1636TIP3   OH255409  -3.478  -1.324   3.583
 1636TIP3    H155410  -3.554  -1.373   3.546
 1636TIP3    H255411  -3.498  -1.321   3.679
 1636TIP3   OH255412  -3.063  -2.043   3.362
 1636TIP3    H155413  -3.161  -2.042   3.354
 1636TIP3    H255414  -3.045  -1.967   3.421
 1636TIP3   OH255415  -2.994  -1.856   3.568
 1636TIP3    H155416  -2.901  -1.880   3.583
 1636TIP3    H255417  -2.986  -1.768   3.525
 1637TIP3   OH255418  -3.975  -1.395   4.183
 1637TIP3    H155419  -3.926  -1.400   4.100
 1637TIP3    H255420  -3.948  -1.479   4.224
 1637TIP3   OH255421  -3.238  -1.188   3.477
 1637TIP3    H155422  -3.264  -1.101   3.513
 1637TIP3    H255423  -3.315  -1.242   3.503
 1637TIP3   OH255424  -2.535  -1.864   3.537
 1637TIP3    H155425  -2.591  -1.879   3.459
 1637TIP3    H255426  -2.522  -1.767   3.527
 1637TIP3   OH255427  -2.717  -0.998   3.546
 1637TIP3    H155428  -2.737  -1.074   3.603
 1637TIP3    H255429  -2.659  -1.036   3.479
 1637TIP3   OH255430  -3.002  -1.448   4.247
 1637TIP3    H155431  -3.092  -1.479   4.268
 1637TIP3    H255432  -2.965  -1.526   4.202
 1637TIP3   OH255433  -3.725  -1.058   3.873
 1637TIP3    H155434  -3.686  -0.969   3.874
 1637TIP3    H255435  -3.819  -1.037   3.863
 1637TIP3   OH255436  -4.151  -1.560   3.360
 1637TIP3    H155437  -4.083  -1.500   3.397
 1637TIP3    H255438  -4.231  -1.515   3.390
 1637TIP3   OH255439  -3.544  -1.287   3.862
 1637TIP3    H155440  -3.577  -1.196   3.862
 1637TIP3    H255441  -3.622  -1.336   3.893
 1637TIP3   OH255442  -3.681  -0.765   3.812
 1637TIP3    H155443  -3.777  -0.752   3.819
 1637TIP3    H255444  -3.647  -0.677   3.839
 1637TIP3   OH255445  -2.967  -1.156   3.336
 1637TIP3    H155446  -2.927  -1.201   3.412
 1637TIP3    H255447  -3.061  -1.169   3.359
 1638TIP3   OH255448  -2.495  -0.730   3.390
 1638TIP3    H155449  -2.425  -0.666   3.369
 1638TIP3    H255450  -2.572  -0.670   3.390
 1638TIP3   OH255451  -2.872  -1.295   3.574
 1638TIP3    H155452  -2.899  -1.366   3.635
 1638TIP3    H255453  -2.775  -1.296   3.583
 1638TIP3   OH255454  -3.540  -1.047   3.201
 1638TIP3    H155455  -3.521  -1.121   3.139
 1638TIP3    H255456  -3.588  -1.093   3.272
 1638TIP3   OH255457  -3.661  -1.100   3.467
 1638TIP3    H155458  -3.611  -1.151   3.532
 1638TIP3    H255459  -3.648  -1.008   3.497
 1638TIP3   OH255460  -3.984  -1.359   3.503
 1638TIP3    H155461  -4.056  -1.317   3.556
 1638TIP3    H255462  -3.938  -1.277   3.474
 1638TIP3   OH255463  -3.143  -2.170   3.630
 1638TIP3    H155464  -3.124  -2.115   3.552
 1638TIP3    H255465  -3.101  -2.118   3.701
 1638TIP3   OH255466  -3.364  -0.936   3.529
 1638TIP3    H155467  -3.447  -0.889   3.545
 1638TIP3    H255468  -3.331  -0.892   3.449
 1638TIP3   OH255469  -3.402  -1.967   3.726
 1638TIP3    H155470  -3.328  -1.906   3.742
 1638TIP3    H255471  -3.435  -1.984   3.816
 1638TIP3   OH255472  -3.349  -2.269   3.820
 1638TIP3    H155473  -3.366  -2.201   3.888
 1638TIP3    H255474  -3.274  -2.228   3.772
 1638TIP3   OH255475  -3.645  -0.829   3.526
 1638TIP3    H155476  -3.651  -0.747   3.472
 1638TIP3    H255477  -3.660  -0.796   3.616
 1639TIP3   OH255478  -3.772  -2.164   3.481
 1639TIP3    H155479  -3.775  -2.082   3.533
 1639TIP3    H255480  -3.686  -2.200   3.510
 1639TIP3   OH255481  -2.897  -1.689   4.146
 1639TIP3    H155482  -2.974  -1.737   4.110
 1639TIP3    H255483  -2.839  -1.763   4.175
 1639TIP3   OH255484  -3.932  -1.075   3.385
 1639TIP3    H155485  -3.855  -1.030   3.423
 1639TIP3    H255486  -3.888  -1.126   3.316
 1639TIP3   OH255487  -4.115  -1.858   3.302
 1639TIP3    H155488  -4.110  -1.762   3.316
 1639TIP3    H255489  -4.194  -1.869   3.247
 1639TIP3   OH255490  -2.764  -0.706   4.317
 1639TIP3    H155491  -2.828  -0.720   4.246
 1639TIP3    H255492  -2.681  -0.741   4.284
 1639TIP3   OH255493  -4.019  -2.374   4.167
 1639TIP3    H155494  -4.058  -2.362   4.078
 1639TIP3    H255495  -4.076  -2.443   4.205
 1639TIP3   OH255496  -4.138  -0.992   3.803
 1639TIP3    H155497  -4.230  -0.961   3.801
 1639TIP3    H255498  -4.105  -0.959   3.718
 1639TIP3   OH255499  -3.321  -0.882   3.247
 1639TIP3    H155500  -3.400  -0.940   3.235
 1639TIP3    H255501  -3.253  -0.938   3.206
 1639TIP3   OH255502  -2.859  -0.890   3.255
 1639TIP3    H155503  -2.845  -0.970   3.307
 1639TIP3    H255504  -2.779  -0.887   3.199
 1639TIP3   OH255505  -3.781  -1.304   3.230
 1639TIP3    H155506  -3.760  -1.366   3.302
 1639TIP3    H255507  -3.698  -1.307   3.178
 1640TIP3   OH255508  -3.250  -1.175   3.189
 1640TIP3    H155509  -3.263  -1.178   3.285
 1640TIP3    H255510  -3.260  -1.270   3.167
 1640TIP3   OH255511  -3.670  -1.501   3.463
 1640TIP3    H155512  -3.734  -1.549   3.518
 1640TIP3    H255513  -3.644  -1.569   3.399
 1640TIP3   OH255514  -3.577  -1.700   3.284
 1640TIP3    H155515  -3.580  -1.686   3.188
 1640TIP3    H255516  -3.480  -1.700   3.301
 1640TIP3   OH255517  -2.625  -1.446   3.220
 1640TIP3    H155518  -2.633  -1.489   3.134
 1640TIP3    H255519  -2.635  -1.352   3.195
 1640TIP3   OH255520  -3.600  -0.577   3.393
 1640TIP3    H155521  -3.505  -0.564   3.406
 1640TIP3    H255522  -3.613  -0.532   3.309
 1640TIP3   OH255523  -4.198  -1.082   3.295
 1640TIP3    H155524  -4.125  -1.088   3.359
 1640TIP3    H255525  -4.218  -1.174   3.275
 1640TIP3   OH255526  -4.273  -0.799   4.018
 1640TIP3    H155527  -4.273  -0.893   4.042
 1640TIP3    H255528  -4.245  -0.760   4.102
 1640TIP3   OH255529  -2.491  -0.671   4.272
 1640TIP3    H155530  -2.512  -0.685   4.366
 1640TIP3    H255531  -2.394  -0.675   4.276
 1640TIP3   OH255532  -2.586  -1.309   3.614
 1640TIP3    H155533  -2.495  -1.276   3.629
 1640TIP3    H255534  -2.594  -1.372   3.687
 1640TIP3   OH255535  -2.537  -1.515   3.814
 1640TIP3    H155536  -2.603  -1.571   3.859
 1640TIP3    H255537  -2.468  -1.503   3.883
 1641TIP3   OH255538  -2.568  -1.281   4.328
 1641TIP3    H155539  -2.505  -1.334   4.278
 1641TIP3    H255540  -2.561  -1.194   4.288
 1641TIP3   OH255541  -2.510  -1.568   3.467
 1641TIP3    H155542  -2.562  -1.540   3.390
 1641TIP3    H255543  -2.523  -1.493   3.527
 1641TIP3   OH255544  -2.690  -1.811   3.295
 1641TIP3    H155545  -2.661  -1.753   3.224
 1641TIP3    H255546  -2.711  -1.894   3.248
 1641TIP3   OH255547  -2.746  -1.704   3.905
 1641TIP3    H155548  -2.755  -1.799   3.904
 1641TIP3    H255549  -2.782  -1.681   3.993
 1641TIP3   OH255550  -2.740  -2.076   3.217
 1641TIP3    H155551  -2.679  -2.126   3.274
 1641TIP3    H255552  -2.819  -2.133   3.212
 1641TIP3   OH255553  -2.754  -2.037   3.668
 1641TIP3    H155554  -2.728  -2.092   3.744
 1641TIP3    H255555  -2.671  -1.993   3.642
 1641TIP3   OH255556  -2.731  -1.883   4.227
 1641TIP3    H155557  -2.635  -1.877   4.240
 1641TIP3    H255558  -2.764  -1.878   4.319
 1641TIP3   OH255559  -2.871  -2.655   3.655
 1641TIP3    H155560  -2.829  -2.623   3.737
 1641TIP3    H255561  -2.891  -2.571   3.612
 1641TIP3   OH255562  -4.165  -2.080   4.194
 1641TIP3    H155563  -4.174  -2.175   4.210
 1641TIP3    H255564  -4.112  -2.054   4.269
 1641TIP3   OH255565  -4.338  -1.824   4.317
 1641TIP3    H155566  -4.311  -1.871   4.236
 1641TIP3    H255567  -4.295  -1.738   4.306
 1642TIP3   OH255568  -2.516  -2.182   3.373
 1642TIP3    H155569  -2.483  -2.263   3.330
 1642TIP3    H255570  -2.435  -2.130   3.384
 1642TIP3   OH255571  -4.315  -2.228   3.648
 1642TIP3    H155572  -4.400  -2.199   3.612
 1642TIP3    H255573  -4.256  -2.157   3.612
 1642TIP3   OH255574  -2.826  -0.684   3.907
 1642TIP3    H155575  -2.784  -0.708   3.823
 1642TIP3    H255576  -2.754  -0.635   3.950
 1642TIP3   OH255577  -4.157  -0.785   4.267
 1642TIP3    H155578  -4.131  -0.772   4.360
 1642TIP3    H255579  -4.068  -0.785   4.227
 1642TIP3   OH255580  -3.909  -0.863   4.115
 1642TIP3    H155581  -3.921  -0.956   4.144
 1642TIP3    H255582  -3.819  -0.843   4.149
 1642TIP3   OH255583  -3.636  -0.817   4.212
 1642TIP3    H155584  -3.608  -0.904   4.183
 1642TIP3    H255585  -3.625  -0.825   4.308
 1642TIP3   OH255586  -3.298  -2.219   4.131
 1642TIP3    H155587  -3.361  -2.290   4.155
 1642TIP3    H255588  -3.233  -2.267   4.077
 1642TIP3   OH255589  -2.802  -2.438   4.157
 1642TIP3    H155590  -2.725  -2.380   4.144
 1642TIP3    H255591  -2.878  -2.387   4.126
 1642TIP3   OH255592  -2.549  -2.310   3.995
 1642TIP3    H155593  -2.507  -2.364   3.925
 1642TIP3    H255594  -2.519  -2.220   3.973
 1642TIP3   OH255595  -4.105  -2.369   3.884
 1642TIP3    H155596  -4.180  -2.397   3.830
 1642TIP3    H255597  -4.045  -2.446   3.876
 1643TIP3   OH255598  -4.182  -2.407   3.467
 1643TIP3    H155599  -4.132  -2.339   3.418
 1643TIP3    H255600  -4.233  -2.352   3.529
 1643TIP3   OH255601  -3.609  -2.387   3.886
 1643TIP3    H155602  -3.523  -2.344   3.874
 1643TIP3    H255603  -3.615  -2.392   3.982
 1643TIP3   OH255604  -3.048  -2.368   4.009
 1643TIP3    H155605  -3.031  -2.389   3.916
 1643TIP3    H255606  -3.088  -2.451   4.041
 1643TIP3   OH255607  -2.962  -2.394   3.599
 1643TIP3    H155608  -3.018  -2.313   3.598
 1643TIP3    H255609  -3.024  -2.458   3.638
 1643TIP3   OH255610  -4.186  -0.807   3.572
 1643TIP3    H155611  -4.250  -0.827   3.503
 1643TIP3    H255612  -4.186  -0.710   3.572
 1643TIP3   OH255613  -4.007  -2.221   3.320
 1643TIP3    H155614  -3.947  -2.277   3.268
 1643TIP3    H255615  -3.948  -2.190   3.391
 1643TIP3   OH255616  -3.504  -2.220   3.580
 1643TIP3    H155617  -3.464  -2.270   3.653
 1643TIP3    H255618  -3.484  -2.130   3.609
 1643TIP3   OH255619  -3.295  -0.626   3.404
 1643TIP3    H155620  -3.197  -0.627   3.401
 1643TIP3    H255621  -3.315  -0.693   3.337
 1643TIP3   OH255622  -2.646  -0.725   3.664
 1643TIP3    H155623  -2.668  -0.809   3.620
 1643TIP3    H255624  -2.648  -0.663   3.589
 1643TIP3   OH255625  -4.014  -0.703   3.272
 1643TIP3    H155626  -4.040  -0.693   3.364
 1643TIP3    H255627  -3.946  -0.773   3.277
 1644TIP3   OH255628  -1.282  -1.483   3.924
 1644TIP3    H155629  -1.276  -1.386   3.928
 1644TIP3    H255630  -1.350  -1.495   3.856
 1644TIP3   OH255631  -1.384  -1.543   4.247
 1644TIP3    H155632  -1.391  -1.618   4.309
 1644TIP3    H255633  -1.397  -1.587   4.161
 1644TIP3   OH255634  -1.029  -1.267   4.037
 1644TIP3    H155635  -1.069  -1.336   4.093
 1644TIP3    H255636  -0.996  -1.208   4.109
 1644TIP3   OH255637  -2.074  -1.121   4.246
 1644TIP3    H155638  -2.100  -1.213   4.223
 1644TIP3    H255639  -1.978  -1.136   4.258
 1644TIP3   OH255640  -2.379  -1.773   3.777
 1644TIP3    H155641  -2.419  -1.685   3.786
 1644TIP3    H255642  -2.450  -1.823   3.736
 1644TIP3   OH255643  -2.302  -1.537   3.975
 1644TIP3    H155644  -2.280  -1.615   4.028
 1644TIP3    H255645  -2.219  -1.524   3.927
 1644TIP3   OH255646  -1.322  -0.727   4.114
 1644TIP3    H155647  -1.260  -0.796   4.084
 1644TIP3    H255648  -1.352  -0.759   4.201
 1644TIP3   OH255649  -1.580  -1.314   4.278
 1644TIP3    H155650  -1.537  -1.382   4.223
 1644TIP3    H255651  -1.500  -1.278   4.321
 1644TIP3   OH255652  -1.230  -1.840   4.323
 1644TIP3    H155653  -1.191  -1.927   4.341
 1644TIP3    H255654  -1.226  -1.835   4.225
 1644TIP3   OH255655  -1.922  -2.053   4.043
 1644TIP3    H155656  -1.903  -1.970   3.996
 1644TIP3    H255657  -1.952  -2.108   3.968
 1645TIP3   OH255658  -1.129  -2.031   3.871
 1645TIP3    H155659  -1.074  -2.077   3.938
 1645TIP3    H255660  -1.061  -1.990   3.816
 1645TIP3   OH255661  -2.223  -1.787   4.100
 1645TIP3    H155662  -2.180  -1.851   4.156
 1645TIP3    H255663  -2.221  -1.833   4.014
 1645TIP3   OH255664  -1.717  -1.646   4.056
 1645TIP3    H155665  -1.641  -1.701   4.083
 1645TIP3    H255666  -1.761  -1.704   3.991
 1645TIP3   OH255667  -1.281  -1.193   3.791
 1645TIP3    H155668  -1.318  -1.221   3.706
 1645TIP3    H255669  -1.331  -1.111   3.810
 1645TIP3   OH255670  -0.949  -2.115   4.072
 1645TIP3    H155671  -0.983  -2.175   4.140
 1645TIP3    H255672  -0.897  -2.055   4.129
 1645TIP3   OH255673  -1.997  -1.962   4.298
 1645TIP3    H155674  -2.011  -1.870   4.275
 1645TIP3    H255675  -2.000  -2.009   4.212
 1645TIP3   OH255676  -2.311  -1.226   3.627
 1645TIP3    H155677  -2.329  -1.176   3.546
 1645TIP3    H255678  -2.293  -1.156   3.693
 1645TIP3   OH255679  -0.958  -1.132   4.258
 1645TIP3    H155680  -1.018  -1.152   4.333
 1645TIP3    H255681  -0.881  -1.097   4.304
 1645TIP3   OH255682  -1.622  -2.417   4.178
 1645TIP3    H155683  -1.626  -2.514   4.186
 1645TIP3    H255684  -1.705  -2.391   4.222
 1645TIP3   OH255685  -1.133  -0.888   3.969
 1645TIP3    H155686  -1.088  -0.968   3.936
 1645TIP3    H255687  -1.070  -0.818   3.945
 1646TIP3   OH255688  -0.988  -1.101   3.819
 1646TIP3    H155689  -1.044  -1.149   3.757
 1646TIP3    H255690  -0.993  -1.162   3.896
 1646TIP3   OH255691  -1.409  -1.526   3.644
 1646TIP3    H155692  -1.476  -1.470   3.600
 1646TIP3    H255693  -1.338  -1.527   3.577
 1646TIP3   OH255694  -1.382  -1.710   3.348
 1646TIP3    H155695  -1.310  -1.679   3.407
 1646TIP3    H255696  -1.333  -1.768   3.289
 1646TIP3   OH255697  -1.060  -1.527   3.750
 1646TIP3    H155698  -1.126  -1.507   3.819
 1646TIP3    H255699  -0.998  -1.585   3.799
 1646TIP3   OH255700  -1.897  -1.448   3.924
 1646TIP3    H155701  -1.934  -1.493   3.846
 1646TIP3    H255702  -1.840  -1.516   3.964
 1646TIP3   OH255703  -1.797  -1.130   4.155
 1646TIP3    H155704  -1.775  -1.174   4.073
 1646TIP3    H255705  -1.717  -1.141   4.208
 1646TIP3   OH255706  -1.880  -1.561   4.270
 1646TIP3    H155707  -1.812  -1.580   4.201
 1646TIP3    H255708  -1.826  -1.544   4.348
 1646TIP3   OH255709  -1.165  -1.581   3.494
 1646TIP3    H155710  -1.116  -1.558   3.575
 1646TIP3    H255711  -1.114  -1.532   3.425
 1646TIP3   OH255712  -1.414  -0.923   3.852
 1646TIP3    H155713  -1.373  -0.890   3.932
 1646TIP3    H255714  -1.467  -0.847   3.822
 1646TIP3   OH255715  -0.819  -2.411   3.445
 1646TIP3    H155716  -0.907  -2.401   3.486
 1646TIP3    H255717  -0.784  -2.320   3.449
 1647TIP3   OH255718  -2.009  -1.575   3.683
 1647TIP3    H155719  -2.028  -1.502   3.622
 1647TIP3    H255720  -2.069  -1.643   3.653
 1647TIP3   OH255721  -0.679  -0.992   3.303
 1647TIP3    H155722  -0.657  -0.898   3.317
 1647TIP3    H255723  -0.592  -1.035   3.313
 1647TIP3   OH255724  -2.388  -1.033   4.237
 1647TIP3    H155725  -2.291  -1.040   4.243
 1647TIP3    H255726  -2.406  -0.953   4.287
 1647TIP3   OH255727  -1.460  -0.652   3.700
 1647TIP3    H155728  -1.464  -0.642   3.603
 1647TIP3    H255729  -1.461  -0.561   3.732
 1647TIP3   OH255730  -2.083  -0.738   3.863
 1647TIP3    H155731  -2.068  -0.785   3.947
 1647TIP3    H255732  -2.166  -0.778   3.834
 1647TIP3   OH255733  -1.132  -0.709   3.418
 1647TIP3    H155734  -1.076  -0.776   3.373
 1647TIP3    H255735  -1.142  -0.749   3.507
 1647TIP3   OH255736  -1.192  -0.769   3.699
 1647TIP3    H155737  -1.287  -0.750   3.710
 1647TIP3    H255738  -1.183  -0.843   3.761
 1647TIP3   OH255739  -1.862  -2.324   4.290
 1647TIP3    H155740  -1.944  -2.344   4.243
 1647TIP3    H255741  -1.869  -2.229   4.308
 1647TIP3   OH255742  -1.007  -1.472   3.296
 1647TIP3    H155743  -1.030  -1.493   3.204
 1647TIP3    H255744  -0.911  -1.454   3.287
 1647TIP3   OH255745  -1.446  -2.099   3.346
 1647TIP3    H155746  -1.493  -2.115   3.428
 1647TIP3    H255747  -1.485  -2.167   3.289
 1648TIP3   OH255748  -1.879  -1.819   3.883
 1648TIP3    H155749  -1.975  -1.830   3.867
 1648TIP3    H255750  -1.844  -1.843   3.795
 1648TIP3   OH255751  -1.320  -1.763   3.765
 1648TIP3    H155752  -1.362  -1.683   3.727
 1648TIP3    H255753  -1.252  -1.783   3.698
 1648TIP3   OH255754  -1.241  -1.824   4.042
 1648TIP3    H155755  -1.269  -1.770   3.966
 1648TIP3    H255756  -1.219  -1.907   3.995
 1648TIP3   OH255757  -1.801  -2.050   3.236
 1648TIP3    H155758  -1.836  -2.088   3.319
 1648TIP3    H255759  -1.881  -2.042   3.182
 1648TIP3   OH255760  -2.454  -2.061   3.940
 1648TIP3    H155761  -2.399  -2.066   4.021
 1648TIP3    H255762  -2.399  -2.103   3.872
 1648TIP3   OH255763  -2.298  -2.024   3.512
 1648TIP3    H155764  -2.242  -1.976   3.447
 1648TIP3    H255765  -2.367  -1.957   3.530
 1648TIP3   OH255766  -1.611  -2.055   3.986
 1648TIP3    H155767  -1.704  -2.072   4.007
 1648TIP3    H255768  -1.566  -2.088   4.065
 1648TIP3   OH255769  -2.148  -1.938   3.854
 1648TIP3    H155770  -2.229  -1.913   3.807
 1648TIP3    H255771  -2.118  -2.018   3.806
 1648TIP3   OH255772  -1.785  -1.904   3.623
 1648TIP3    H155773  -1.688  -1.900   3.627
 1648TIP3    H255774  -1.808  -1.847   3.548
 1648TIP3   OH255775  -1.168  -2.182   4.273
 1648TIP3    H155776  -1.204  -2.166   4.361
 1648TIP3    H255777  -1.247  -2.193   4.219
 1649TIP3   OH255778  -1.940  -1.780   3.399
 1649TIP3    H155779  -1.998  -1.812   3.329
 1649TIP3    H255780  -1.858  -1.762   3.349
 1649TIP3   OH255781  -1.515  -1.819   4.194
 1649TIP3    H155782  -1.447  -1.855   4.134
 1649TIP3    H255783  -1.514  -1.886   4.264
 1649TIP3   OH255784  -1.973  -2.166   3.785
 1649TIP3    H155785  -2.032  -2.242   3.800
 1649TIP3    H255786  -1.893  -2.208   3.750
 1649TIP3   OH255787  -1.595  -1.321   3.582
 1649TIP3    H155788  -1.669  -1.374   3.546
 1649TIP3    H255789  -1.612  -1.323   3.678
 1649TIP3   OH255790  -1.177  -2.042   3.361
 1649TIP3    H155791  -1.275  -2.043   3.356
 1649TIP3    H255792  -1.158  -1.967   3.421
 1649TIP3   OH255793  -1.109  -1.857   3.566
 1649TIP3    H155794  -1.021  -1.875   3.604
 1649TIP3    H255795  -1.095  -1.772   3.520
 1649TIP3   OH255796  -2.093  -1.412   4.175
 1649TIP3    H155797  -2.035  -1.401   4.098
 1649TIP3    H255798  -2.043  -1.481   4.223
 1649TIP3   OH255799  -1.352  -1.187   3.474
 1649TIP3    H155800  -1.380  -1.101   3.513
 1649TIP3    H255801  -1.426  -1.244   3.501
 1649TIP3   OH255802  -0.651  -1.861   3.540
 1649TIP3    H155803  -0.704  -1.881   3.461
 1649TIP3    H255804  -0.638  -1.765   3.525
 1649TIP3   OH255805  -0.795  -0.998   3.561
 1649TIP3    H155806  -0.850  -1.068   3.602
 1649TIP3    H255807  -0.786  -1.032   3.470
 1650TIP3   OH255808  -1.117  -1.448   4.247
 1650TIP3    H155809  -1.206  -1.480   4.267
 1650TIP3    H255810  -1.078  -1.525   4.200
 1650TIP3   OH255811  -1.840  -1.058   3.869
 1650TIP3    H155812  -1.800  -0.970   3.874
 1650TIP3    H255813  -1.934  -1.037   3.865
 1650TIP3   OH255814  -2.241  -1.576   3.350
 1650TIP3    H155815  -2.183  -1.509   3.390
 1650TIP3    H255816  -2.328  -1.551   3.386
 1650TIP3   OH255817  -1.657  -1.286   3.864
 1650TIP3    H155818  -1.694  -1.196   3.861
 1650TIP3    H255819  -1.734  -1.337   3.893
 1650TIP3   OH255820  -1.796  -0.764   3.812
 1650TIP3    H155821  -1.891  -0.751   3.820
 1650TIP3    H255822  -1.762  -0.676   3.839
 1650TIP3   OH255823  -1.079  -1.150   3.340
 1650TIP3    H155824  -1.042  -1.207   3.411
 1650TIP3    H255825  -1.173  -1.166   3.357
 1650TIP3   OH255826  -0.581  -0.746   3.416
 1650TIP3    H155827  -0.509  -0.686   3.387
 1650TIP3    H255828  -0.657  -0.686   3.399
 1650TIP3   OH255829  -0.981  -1.289   3.575
 1650TIP3    H155830  -1.015  -1.362   3.629
 1650TIP3    H255831  -0.885  -1.298   3.587
 1650TIP3   OH255832  -1.658  -1.051   3.195
 1650TIP3    H155833  -1.632  -1.129   3.143
 1650TIP3    H255834  -1.702  -1.092   3.271
 1650TIP3   OH255835  -1.775  -1.099   3.465
 1650TIP3    H155836  -1.725  -1.153   3.527
 1650TIP3    H255837  -1.760  -1.008   3.499
 1651TIP3   OH255838  -2.091  -1.355   3.504
 1651TIP3    H155839  -2.163  -1.317   3.557
 1651TIP3    H255840  -2.043  -1.275   3.477
 1651TIP3   OH255841  -1.261  -2.163   3.633
 1651TIP3    H155842  -1.241  -2.112   3.553
 1651TIP3    H255843  -1.215  -2.113   3.702
 1651TIP3   OH255844  -1.478  -0.935   3.529
 1651TIP3    H155845  -1.562  -0.888   3.545
 1651TIP3    H255846  -1.446  -0.891   3.448
 1651TIP3   OH255847  -1.521  -1.963   3.727
 1651TIP3    H155848  -1.443  -1.906   3.744
 1651TIP3    H255849  -1.550  -1.983   3.818
 1651TIP3   OH255850  -1.462  -2.264   3.819
 1651TIP3    H155851  -1.476  -2.199   3.890
 1651TIP3    H255852  -1.388  -2.223   3.770
 1651TIP3   OH255853  -1.758  -0.829   3.528
 1651TIP3    H155854  -1.766  -0.748   3.474
 1651TIP3    H255855  -1.773  -0.795   3.618
 1651TIP3   OH255856  -1.888  -2.162   3.473
 1651TIP3    H155857  -1.887  -2.089   3.537
 1651TIP3    H255858  -1.809  -2.212   3.500
 1651TIP3   OH255859  -1.010  -1.685   4.138
 1651TIP3    H155860  -1.089  -1.733   4.108
 1651TIP3    H255861  -0.954  -1.759   4.172
 1651TIP3   OH255862  -2.048  -1.074   3.380
 1651TIP3    H155863  -1.973  -1.027   3.421
 1651TIP3    H255864  -1.999  -1.125   3.314
 1651TIP3   OH255865  -2.233  -1.856   3.294
 1651TIP3    H155866  -2.221  -1.762   3.316
 1651TIP3    H255867  -2.319  -1.856   3.251
 1652TIP3   OH255868  -0.878  -0.688   4.279
 1652TIP3    H155869  -0.959  -0.736   4.265
 1652TIP3    H255870  -0.812  -0.754   4.302
 1652TIP3   OH255871  -2.169  -2.312   4.179
 1652TIP3    H155872  -2.163  -2.320   4.082
 1652TIP3    H255873  -2.163  -2.408   4.199
 1652TIP3   OH255874  -2.253  -1.006   3.799
 1652TIP3    H155875  -2.329  -0.952   3.825
 1652TIP3    H255876  -2.214  -0.951   3.728
 1652TIP3   OH255877  -1.436  -0.882   3.246
 1652TIP3    H155878  -1.513  -0.942   3.234
 1652TIP3    H255879  -1.366  -0.935   3.206
 1652TIP3   OH255880  -0.970  -0.887   3.264
 1652TIP3    H155881  -0.968  -0.980   3.294
 1652TIP3    H255882  -0.899  -0.886   3.197
 1652TIP3   OH255883  -1.894  -1.306   3.227
 1652TIP3    H155884  -1.878  -1.367   3.302
 1652TIP3    H255885  -1.809  -1.312   3.181
 1652TIP3   OH255886  -1.368  -1.174   3.190
 1652TIP3    H155887  -1.377  -1.180   3.286
 1652TIP3    H255888  -1.374  -1.270   3.167
 1652TIP3   OH255889  -1.784  -1.499   3.463
 1652TIP3    H155890  -1.847  -1.551   3.516
 1652TIP3    H255891  -1.755  -1.566   3.398
 1652TIP3   OH255892  -1.690  -1.696   3.288
 1652TIP3    H155893  -1.695  -1.692   3.191
 1652TIP3    H255894  -1.594  -1.702   3.302
 1652TIP3   OH255895  -0.741  -1.445   3.220
 1652TIP3    H155896  -0.744  -1.493   3.135
 1652TIP3    H255897  -0.750  -1.352   3.189
 1653TIP3   OH255898  -1.714  -0.574   3.397
 1653TIP3    H155899  -1.619  -0.563   3.408
 1653TIP3    H255900  -1.728  -0.532   3.311
 1653TIP3   OH255901  -2.323  -1.134   3.350
 1653TIP3    H155902  -2.227  -1.116   3.363
 1653TIP3    H255903  -2.320  -1.214   3.293
 1653TIP3   OH255904  -2.419  -0.618   3.821
 1653TIP3    H155905  -2.494  -0.654   3.770
 1653TIP3    H255906  -2.412  -0.683   3.893
 1653TIP3   OH255907  -2.383  -0.816   4.019
 1653TIP3    H155908  -2.410  -0.905   4.048
 1653TIP3    H255909  -2.357  -0.779   4.105
 1653TIP3   OH255910  -0.593  -0.661   4.270
 1653TIP3    H155911  -0.623  -0.682   4.360
 1653TIP3    H255912  -0.498  -0.679   4.278
 1653TIP3   OH255913  -0.690  -1.305   3.614
 1653TIP3    H155914  -0.599  -1.280   3.639
 1653TIP3    H255915  -0.708  -1.371   3.684
 1653TIP3   OH255916  -0.652  -1.510   3.813
 1653TIP3    H155917  -0.720  -1.567   3.853
 1653TIP3    H255918  -0.584  -1.505   3.884
 1653TIP3   OH255919  -0.683  -1.279   4.327
 1653TIP3    H155920  -0.620  -1.336   4.282
 1653TIP3    H255921  -0.668  -1.193   4.286
 1653TIP3   OH255922  -0.632  -1.570   3.470
 1653TIP3    H155923  -0.681  -1.543   3.390
 1653TIP3    H255924  -0.641  -1.491   3.526
 1653TIP3   OH255925  -0.803  -1.810   3.295
 1653TIP3    H155926  -0.773  -1.755   3.221
 1653TIP3    H255927  -0.826  -1.894   3.250
 1654TIP3   OH255928  -0.865  -1.698   3.891
 1654TIP3    H155929  -0.867  -1.794   3.876
 1654TIP3    H255930  -0.899  -1.691   3.982
 1654TIP3   OH255931  -2.377  -1.512   4.263
 1654TIP3    H155932  -2.340  -1.485   4.177
 1654TIP3    H255933  -2.298  -1.515   4.318
 1654TIP3   OH255934  -0.857  -2.076   3.219
 1654TIP3    H155935  -0.797  -2.128   3.274
 1654TIP3    H255936  -0.935  -2.132   3.209
 1654TIP3   OH255937  -0.873  -1.950   3.711
 1654TIP3    H155938  -0.850  -2.045   3.716
 1654TIP3    H255939  -0.793  -1.915   3.668
 1654TIP3   OH255940  -0.854  -1.884   4.220
 1654TIP3    H155941  -0.758  -1.887   4.236
 1654TIP3    H255942  -0.890  -1.900   4.309
 1654TIP3   OH255943  -0.828  -2.228   3.707
 1654TIP3    H155944  -0.817  -2.262   3.798
 1654TIP3    H255945  -0.907  -2.279   3.678
 1654TIP3   OH255946  -2.310  -2.085   4.197
 1654TIP3    H155947  -2.285  -2.180   4.196
 1654TIP3    H255948  -2.243  -2.054   4.258
 1654TIP3   OH255949  -2.465  -1.811   4.302
 1654TIP3    H155950  -2.418  -1.853   4.229
 1654TIP3    H255951  -2.432  -1.719   4.296
 1654TIP3   OH255952  -0.630  -2.182   3.375
 1654TIP3    H155953  -0.599  -2.261   3.328
 1654TIP3    H255954  -0.549  -2.129   3.381
 1654TIP3   OH255955  -2.408  -2.202   3.692
 1654TIP3    H155956  -2.498  -2.194   3.659
 1654TIP3    H255957  -2.357  -2.148   3.628
 1655TIP3   OH255958  -0.945  -0.682   3.907
 1655TIP3    H155959  -0.897  -0.710   3.829
 1655TIP3    H255960  -0.878  -0.634   3.957
 1655TIP3   OH255961  -2.240  -0.778   4.262
 1655TIP3    H155962  -2.204  -0.775   4.353
 1655TIP3    H255963  -2.157  -0.798   4.214
 1655TIP3   OH255964  -2.019  -0.866   4.116
 1655TIP3    H155965  -2.030  -0.960   4.142
 1655TIP3    H255966  -1.927  -0.849   4.147
 1655TIP3   OH255967  -1.750  -0.818   4.213
 1655TIP3    H155968  -1.720  -0.906   4.184
 1655TIP3    H255969  -1.738  -0.825   4.308
 1655TIP3   OH255970  -1.414  -2.219   4.129
 1655TIP3    H155971  -1.475  -2.291   4.155
 1655TIP3    H255972  -1.349  -2.268   4.075
 1655TIP3   OH255973  -0.932  -2.411   4.135
 1655TIP3    H155974  -0.866  -2.355   4.092
 1655TIP3    H255975  -1.015  -2.385   4.093
 1655TIP3   OH255976  -0.707  -2.312   3.964
 1655TIP3    H155977  -0.637  -2.353   3.912
 1655TIP3    H255978  -0.675  -2.220   3.973
 1655TIP3   OH255979  -2.172  -2.347   3.873
 1655TIP3    H155980  -2.261  -2.373   3.841
 1655TIP3    H255981  -2.138  -2.432   3.905
 1655TIP3   OH255982  -2.302  -2.405   3.472
 1655TIP3    H155983  -2.244  -2.341   3.426
 1655TIP3    H255984  -2.332  -2.354   3.549
 1655TIP3   OH255985  -1.727  -2.371   3.891
 1655TIP3    H155986  -1.635  -2.348   3.875
 1655TIP3    H255987  -1.726  -2.391   3.985
 1656TIP3   OH255988  -1.180  -2.366   4.003
 1656TIP3    H155989  -1.151  -2.394   3.915
 1656TIP3    H255990  -1.213  -2.449   4.041
 1656TIP3   OH255991  -1.059  -2.368   3.616
 1656TIP3    H155992  -1.142  -2.319   3.602
 1656TIP3    H255993  -1.093  -2.458   3.631
 1656TIP3   OH255994  -2.276  -0.811   3.593
 1656TIP3    H155995  -2.340  -0.823   3.521
 1656TIP3    H255996  -2.279  -0.715   3.603
 1656TIP3   OH255997  -2.123  -2.224   3.321
 1656TIP3    H155998  -2.063  -2.281   3.270
 1656TIP3    H255999  -2.063  -2.191   3.391
 1656TIP3   OH256000  -1.614  -2.206   3.582
 1656TIP3    H156001  -1.579  -2.264   3.653
 1656TIP3    H256002  -1.595  -2.119   3.621
 1656TIP3   OH256003  -1.410  -0.626   3.404
 1656TIP3    H156004  -1.312  -0.626   3.399
 1656TIP3    H256005  -1.430  -0.694   3.337
 1656TIP3   OH256006  -0.753  -0.734   3.656
 1656TIP3    H156007  -0.805  -0.808   3.616
 1656TIP3    H256008  -0.775  -0.660   3.595
 1656TIP3   OH256009  -2.132  -0.715   3.273
 1656TIP3    H156010  -2.157  -0.689   3.363
 1656TIP3    H256011  -2.056  -0.773   3.287
 1656TIP3   OH256012   0.616  -1.478   3.916
 1656TIP3    H156013   0.610  -1.383   3.929
 1656TIP3    H256014   0.533  -1.497   3.872
 1656TIP3   OH256015   0.857  -1.269   4.039
 1656TIP3    H156016   0.811  -1.336   4.091
 1656TIP3    H256017   0.891  -1.212   4.112
 1657TIP3   OH256018  -0.188  -1.122   4.242
 1657TIP3    H156019  -0.211  -1.215   4.223
 1657TIP3    H256020  -0.093  -1.134   4.259
 1657TIP3   OH256021  -0.493  -1.772   3.779
 1657TIP3    H156022  -0.535  -1.685   3.785
 1657TIP3    H256023  -0.562  -1.825   3.737
 1657TIP3   OH256024  -0.415  -1.535   3.975
 1657TIP3    H156025  -0.396  -1.615   4.027
 1657TIP3    H256026  -0.332  -1.525   3.927
 1657TIP3   OH256027   0.562  -0.726   4.115
 1657TIP3    H156028   0.624  -0.794   4.082
 1657TIP3    H256029   0.536  -0.761   4.202
 1657TIP3   OH256030   0.308  -1.307   4.266
 1657TIP3    H156031   0.339  -1.394   4.231
 1657TIP3    H256032   0.390  -1.283   4.313
 1657TIP3   OH256033   0.713  -1.843   4.324
 1657TIP3    H156034   0.694  -1.937   4.333
 1657TIP3    H256035   0.656  -1.817   4.249
 1657TIP3   OH256036  -0.040  -2.053   4.044
 1657TIP3    H156037  -0.017  -1.969   3.998
 1657TIP3    H256038  -0.068  -2.106   3.967
 1657TIP3   OH256039   0.755  -2.040   3.864
 1657TIP3    H156040   0.809  -2.075   3.938
 1657TIP3    H256041   0.820  -1.984   3.820
 1657TIP3   OH256042  -0.341  -1.788   4.100
 1657TIP3    H156043  -0.290  -1.848   4.155
 1657TIP3    H256044  -0.336  -1.833   4.014
 1657TIP3   OH256045   0.171  -1.653   4.056
 1657TIP3    H156046   0.260  -1.684   4.080
 1657TIP3    H256047   0.138  -1.723   3.997
 1658TIP3   OH256048   0.605  -1.191   3.791
 1658TIP3    H156049   0.568  -1.222   3.708
 1658TIP3    H256050   0.553  -1.111   3.809
 1658TIP3   OH256051   0.938  -2.113   4.071
 1658TIP3    H156052   0.914  -2.178   4.139
 1658TIP3    H256053   0.984  -2.049   4.128
 1658TIP3   OH256054  -0.116  -1.963   4.296
 1658TIP3    H156055  -0.120  -1.869   4.274
 1658TIP3    H256056  -0.110  -2.006   4.209
 1658TIP3   OH256057  -0.422  -1.207   3.644
 1658TIP3    H156058  -0.435  -1.176   3.552
 1658TIP3    H256059  -0.398  -1.128   3.694
 1658TIP3   OH256060   0.930  -1.137   4.260
 1658TIP3    H156061   0.867  -1.150   4.334
 1658TIP3    H256062   0.999  -1.085   4.302
 1658TIP3   OH256063   0.259  -2.417   4.176
 1658TIP3    H156064   0.257  -2.514   4.182
 1658TIP3    H256065   0.178  -2.391   4.223
 1658TIP3   OH256066   0.751  -0.886   3.965
 1658TIP3    H156067   0.797  -0.968   3.935
 1658TIP3    H256068   0.819  -0.819   3.944
 1658TIP3   OH256069   0.897  -1.102   3.822
 1658TIP3    H156070   0.842  -1.148   3.757
 1658TIP3    H256071   0.891  -1.165   3.897
 1658TIP3   OH256072   0.473  -1.528   3.640
 1658TIP3    H156073   0.410  -1.469   3.596
 1658TIP3    H256074   0.548  -1.526   3.578
 1658TIP3   OH256075   0.504  -1.710   3.347
 1658TIP3    H156076   0.573  -1.679   3.408
 1658TIP3    H256077   0.555  -1.767   3.288
 1659TIP3   OH256078   0.827  -1.530   3.749
 1659TIP3    H156079   0.758  -1.507   3.817
 1659TIP3    H256080   0.886  -1.586   3.802
 1659TIP3   OH256081  -0.008  -1.455   3.929
 1659TIP3    H156082  -0.043  -1.500   3.849
 1659TIP3    H256083   0.052  -1.522   3.965
 1659TIP3   OH256084   0.093  -1.133   4.155
 1659TIP3    H156085   0.115  -1.180   4.073
 1659TIP3    H256086   0.171  -1.150   4.209
 1659TIP3   OH256087   0.012  -1.557   4.268
 1659TIP3    H156088   0.080  -1.577   4.201
 1659TIP3    H256089   0.064  -1.552   4.349
 1659TIP3   OH256090   0.722  -1.583   3.495
 1659TIP3    H156091   0.769  -1.557   3.577
 1659TIP3    H256092   0.772  -1.532   3.427
 1659TIP3   OH256093   0.466  -0.924   3.852
 1659TIP3    H156094   0.517  -0.894   3.929
 1659TIP3    H256095   0.419  -0.843   3.825
 1659TIP3   OH256096   1.067  -2.411   3.445
 1659TIP3    H156097   0.979  -2.401   3.486
 1659TIP3    H256098   1.101  -2.321   3.450
 1659TIP3   OH256099  -0.125  -1.576   3.684
 1659TIP3    H156100  -0.140  -1.504   3.621
 1659TIP3    H256101  -0.184  -1.645   3.651
 1659TIP3   OH256102   1.204  -0.997   3.298
 1659TIP3    H156103   1.220  -0.903   3.322
 1659TIP3    H256104   1.291  -1.037   3.318
 1659TIP3   OH256105  -0.502  -1.029   4.227
 1659TIP3    H156106  -0.408  -1.043   4.246
 1659TIP3    H256107  -0.525  -0.959   4.290
 1660TIP3   OH256108   0.416  -0.652   3.699
 1660TIP3    H156109   0.425  -0.643   3.602
 1660TIP3    H256110   0.427  -0.561   3.731
 1660TIP3   OH256111  -0.233  -0.782   3.845
 1660TIP3    H156112  -0.190  -0.808   3.929
 1660TIP3    H256113  -0.326  -0.798   3.867
 1660TIP3   OH256114   0.752  -0.710   3.418
 1660TIP3    H156115   0.810  -0.775   3.373
 1660TIP3    H256116   0.747  -0.749   3.508
 1660TIP3   OH256117   0.691  -0.767   3.699
 1660TIP3    H156118   0.596  -0.756   3.714
 1660TIP3    H256119   0.710  -0.841   3.759
 1660TIP3   OH256120   0.015  -2.328   4.292
 1660TIP3    H156121  -0.067  -2.331   4.241
 1660TIP3    H256122   0.028  -2.232   4.308
 1660TIP3   OH256123   0.878  -1.476   3.295
 1660TIP3    H156124   0.857  -1.493   3.202
 1660TIP3    H256125   0.972  -1.452   3.289
 1660TIP3   OH256126   0.442  -2.100   3.345
 1660TIP3    H156127   0.392  -2.112   3.428
 1660TIP3    H256128   0.400  -2.167   3.289
 1660TIP3   OH256129   0.005  -1.823   3.887
 1660TIP3    H156130  -0.090  -1.831   3.867
 1660TIP3    H256131   0.043  -1.841   3.798
 1660TIP3   OH256132   0.562  -1.766   3.759
 1660TIP3    H156133   0.525  -1.682   3.727
 1660TIP3    H256134   0.634  -1.780   3.695
 1660TIP3   OH256135   0.645  -1.823   4.050
 1660TIP3    H156136   0.600  -1.763   3.989
 1660TIP3    H256137   0.648  -1.905   3.998
 1661TIP3   OH256138   0.084  -2.051   3.236
 1661TIP3    H156139   0.047  -2.089   3.318
 1661TIP3    H256140   0.005  -2.041   3.181
 1661TIP3   OH256141  -0.569  -2.064   3.944
 1661TIP3    H156142  -0.510  -2.069   4.021
 1661TIP3    H256143  -0.518  -2.105   3.873
 1661TIP3   OH256144  -0.412  -2.023   3.515
 1661TIP3    H156145  -0.358  -1.976   3.448
 1661TIP3    H256146  -0.482  -1.958   3.531
 1661TIP3   OH256147   0.272  -2.053   3.987
 1661TIP3    H156148   0.182  -2.070   4.018
 1661TIP3    H256149   0.326  -2.078   4.065
 1661TIP3   OH256150  -0.264  -1.939   3.855
 1661TIP3    H156151  -0.345  -1.912   3.806
 1661TIP3    H256152  -0.233  -2.016   3.805
 1661TIP3   OH256153   0.101  -1.906   3.622
 1661TIP3    H156154   0.198  -1.900   3.628
 1661TIP3    H256155   0.079  -1.847   3.548
 1661TIP3   OH256156   0.717  -2.198   4.284
 1661TIP3    H156157   0.680  -2.170   4.369
 1661TIP3    H256158   0.643  -2.186   4.222
 1661TIP3   OH256159  -0.055  -1.780   3.400
 1661TIP3    H156160  -0.113  -1.812   3.329
 1661TIP3    H256161   0.026  -1.762   3.349
 1661TIP3   OH256162  -0.087  -2.165   3.788
 1661TIP3    H156163  -0.140  -2.245   3.799
 1661TIP3    H256164  -0.007  -2.200   3.745
 1661TIP3   OH256165   0.289  -1.319   3.581
 1661TIP3    H156166   0.216  -1.375   3.547
 1661TIP3    H256167   0.275  -1.321   3.678
 1662TIP3   OH256168   0.710  -2.040   3.357
 1662TIP3    H156169   0.612  -2.043   3.356
 1662TIP3    H256170   0.730  -1.969   3.421
 1662TIP3   OH256171   0.778  -1.859   3.561
 1662TIP3    H156172   0.864  -1.875   3.604
 1662TIP3    H256173   0.790  -1.770   3.523
 1662TIP3   OH256174  -0.205  -1.410   4.174
 1662TIP3    H156175  -0.146  -1.402   4.097
 1662TIP3    H256176  -0.156  -1.478   4.224
 1662TIP3   OH256177   0.533  -1.187   3.472
 1662TIP3    H156178   0.509  -1.102   3.514
 1662TIP3    H256179   0.459  -1.243   3.501
 1662TIP3   OH256180   1.237  -1.861   3.538
 1662TIP3    H156181   1.180  -1.878   3.460
 1662TIP3    H256182   1.249  -1.765   3.526
 1662TIP3   OH256183   1.056  -0.997   3.548
 1662TIP3    H156184   1.034  -1.074   3.602
 1662TIP3    H256185   1.111  -1.036   3.478
 1662TIP3   OH256186   0.739  -1.459   4.259
 1662TIP3    H156187   0.649  -1.499   4.269
 1662TIP3    H256188   0.783  -1.529   4.207
 1662TIP3   OH256189   0.043  -1.058   3.869
 1662TIP3    H156190   0.092  -0.975   3.877
 1662TIP3    H256191  -0.047  -1.026   3.858
 1662TIP3   OH256192  -0.356  -1.577   3.352
 1662TIP3    H156193  -0.297  -1.509   3.390
 1662TIP3    H256194  -0.444  -1.547   3.381
 1662TIP3   OH256195   0.228  -1.286   3.857
 1662TIP3    H156196   0.190  -1.196   3.861
 1662TIP3    H256197   0.157  -1.339   3.895
 1663TIP3   OH256198   0.090  -0.765   3.817
 1663TIP3    H156199  -0.005  -0.751   3.811
 1663TIP3    H256200   0.123  -0.676   3.840
 1663TIP3   OH256201   0.803  -1.155   3.337
 1663TIP3    H156202   0.845  -1.202   3.411
 1663TIP3    H256203   0.710  -1.170   3.361
 1663TIP3   OH256204   1.276  -0.730   3.391
 1663TIP3    H156205   1.346  -0.665   3.369
 1663TIP3    H256206   1.199  -0.670   3.389
 1663TIP3   OH256207   0.899  -1.294   3.574
 1663TIP3    H156208   0.871  -1.366   3.634
 1663TIP3    H256209   0.996  -1.297   3.584
 1663TIP3   OH256210   0.226  -1.050   3.195
 1663TIP3    H156211   0.255  -1.126   3.142
 1663TIP3    H256212   0.184  -1.094   3.271
 1663TIP3   OH256213   0.106  -1.101   3.470
 1663TIP3    H156214   0.164  -1.155   3.526
 1663TIP3    H256215   0.126  -1.010   3.500
 1663TIP3   OH256216  -0.211  -1.353   3.503
 1663TIP3    H156217  -0.273  -1.312   3.565
 1663TIP3    H256218  -0.157  -1.277   3.475
 1663TIP3   OH256219   0.628  -2.165   3.634
 1663TIP3    H156220   0.644  -2.108   3.557
 1663TIP3    H256221   0.670  -2.114   3.705
 1663TIP3   OH256222   0.406  -0.935   3.529
 1663TIP3    H156223   0.324  -0.885   3.543
 1663TIP3    H256224   0.442  -0.892   3.450
 1663TIP3   OH256225   0.366  -1.964   3.727
 1663TIP3    H156226   0.443  -1.905   3.742
 1663TIP3    H256227   0.337  -1.982   3.819
 1664TIP3   OH256228   0.421  -2.263   3.818
 1664TIP3    H156229   0.412  -2.202   3.893
 1664TIP3    H256230   0.498  -2.224   3.772
 1664TIP3   OH256231   0.122  -0.828   3.528
 1664TIP3    H156232   0.119  -0.747   3.473
 1664TIP3    H256233   0.117  -0.793   3.618
 1664TIP3   OH256234  -0.002  -2.163   3.476
 1664TIP3    H156235   0.001  -2.085   3.534
 1664TIP3    H256236   0.080  -2.209   3.502
 1664TIP3   OH256237   0.878  -1.690   4.127
 1664TIP3    H156238   0.789  -1.730   4.112
 1664TIP3    H256239   0.923  -1.766   4.170
 1664TIP3   OH256240  -0.164  -1.074   3.385
 1664TIP3    H156241  -0.086  -1.030   3.422
 1664TIP3    H256242  -0.120  -1.123   3.314
 1664TIP3   OH256243  -0.349  -1.858   3.297
 1664TIP3    H156244  -0.337  -1.763   3.317
 1664TIP3    H256245  -0.430  -1.858   3.246
 1664TIP3   OH256246   1.007  -0.702   4.313
 1664TIP3    H156247   0.942  -0.725   4.245
 1664TIP3    H256248   1.088  -0.745   4.285
 1664TIP3   OH256249  -0.261  -2.354   4.172
 1664TIP3    H156250  -0.273  -2.351   4.074
 1664TIP3    H256251  -0.292  -2.443   4.194
 1664TIP3   OH256252   0.449  -0.881   3.246
 1664TIP3    H156253   0.374  -0.944   3.233
 1664TIP3    H256254   0.521  -0.934   3.207
 1664TIP3   OH256255   0.912  -0.889   3.256
 1664TIP3    H156256   0.926  -0.971   3.306
 1664TIP3    H256257   0.991  -0.887   3.199
 1665TIP3   OH256258  -0.010  -1.306   3.229
 1665TIP3    H156259   0.009  -1.368   3.302
 1665TIP3    H256260   0.075  -1.310   3.180
 1665TIP3   OH256261   0.513  -1.175   3.189
 1665TIP3    H156262   0.512  -1.180   3.286
 1665TIP3    H256263   0.510  -1.270   3.167
 1665TIP3   OH256264   0.098  -1.499   3.462
 1665TIP3    H156265   0.041  -1.554   3.517
 1665TIP3    H256266   0.131  -1.564   3.397
 1665TIP3   OH256267   0.195  -1.695   3.288
 1665TIP3    H156268   0.190  -1.692   3.191
 1665TIP3    H256269   0.292  -1.701   3.302
 1665TIP3   OH256270   1.147  -1.446   3.219
 1665TIP3    H156271   1.136  -1.488   3.133
 1665TIP3    H256272   1.135  -1.351   3.195
 1665TIP3   OH256273   0.171  -0.574   3.396
 1665TIP3    H156274   0.266  -0.564   3.409
 1665TIP3    H256275   0.160  -0.530   3.311
 1665TIP3   OH256276  -0.437  -1.133   3.361
 1665TIP3    H156277  -0.340  -1.118   3.363
 1665TIP3    H256278  -0.443  -1.211   3.302
 1665TIP3   OH256279  -0.527  -0.642   3.806
 1665TIP3    H156280  -0.621  -0.640   3.782
 1665TIP3    H256281  -0.530  -0.680   3.896
 1665TIP3   OH256282  -0.489  -0.827   4.012
 1665TIP3    H156283  -0.519  -0.912   4.050
 1665TIP3    H256284  -0.463  -0.784   4.096
 1665TIP3   OH256285   1.284  -0.667   4.273
 1665TIP3    H156286   1.262  -0.685   4.366
 1665TIP3    H256287   1.380  -0.675   4.276
 1666TIP3   OH256288   1.186  -1.309   3.613
 1666TIP3    H156289   1.276  -1.277   3.630
 1666TIP3    H256290   1.176  -1.372   3.686
 1666TIP3   OH256291   1.235  -1.515   3.812
 1666TIP3    H156292   1.165  -1.569   3.854
 1666TIP3    H256293   1.300  -1.504   3.885
 1666TIP3   OH256294   1.208  -1.279   4.331
 1666TIP3    H156295   1.265  -1.332   4.275
 1666TIP3    H256296   1.210  -1.193   4.287
 1666TIP3   OH256297   1.258  -1.568   3.468
 1666TIP3    H156298   1.206  -1.540   3.391
 1666TIP3    H256299   1.244  -1.494   3.529
 1666TIP3   OH256300   1.085  -1.813   3.295
 1666TIP3    H156301   1.109  -1.753   3.223
 1666TIP3    H256302   1.060  -1.894   3.247
 1666TIP3   OH256303   1.026  -1.700   3.893
 1666TIP3    H156304   1.017  -1.795   3.876
 1666TIP3    H256305   0.983  -1.690   3.980
 1666TIP3   OH256306  -0.492  -1.505   4.263
 1666TIP3    H156307  -0.452  -1.485   4.177
 1666TIP3    H256308  -0.413  -1.516   4.319
 1666TIP3   OH256309   1.032  -2.079   3.214
 1666TIP3    H156310   1.088  -2.128   3.276
 1666TIP3    H256311   0.950  -2.131   3.210
 1666TIP3   OH256312   1.012  -1.949   3.709
 1666TIP3    H156313   1.035  -2.044   3.716
 1666TIP3    H256314   1.093  -1.914   3.669
 1666TIP3   OH256315   1.032  -1.893   4.224
 1666TIP3    H156316   1.126  -1.879   4.244
 1666TIP3    H256317   0.986  -1.887   4.309
 1667TIP3   OH256318   1.060  -2.230   3.706
 1667TIP3    H156319   1.067  -2.260   3.798
 1667TIP3    H256320   0.979  -2.277   3.678
 1667TIP3   OH256321  -0.417  -2.098   4.193
 1667TIP3    H156322  -0.385  -2.190   4.203
 1667TIP3    H256323  -0.359  -2.053   4.255
 1667TIP3   OH256324  -0.578  -1.812   4.302
 1667TIP3    H156325  -0.533  -1.850   4.225
 1667TIP3    H256326  -0.548  -1.720   4.297
 1667TIP3   OH256327   1.255  -2.182   3.374
 1667TIP3    H156328   1.288  -2.261   3.329
 1667TIP3    H256329   1.336  -2.129   3.383
 1667TIP3   OH256330  -0.520  -2.209   3.693
 1667TIP3    H156331  -0.614  -2.204   3.672
 1667TIP3    H256332  -0.478  -2.149   3.629
 1667TIP3   OH256333   0.945  -0.683   3.908
 1667TIP3    H156334   0.986  -0.708   3.823
 1667TIP3    H256335   1.018  -0.635   3.949
 1667TIP3   OH256336  -0.351  -0.776   4.259
 1667TIP3    H156337  -0.317  -0.774   4.351
 1667TIP3    H256338  -0.267  -0.799   4.213
 1667TIP3   OH256339  -0.133  -0.866   4.113
 1667TIP3    H156340  -0.142  -0.959   4.142
 1667TIP3    H256341  -0.041  -0.847   4.143
 1667TIP3   OH256342   0.131  -0.821   4.214
 1667TIP3    H156343   0.166  -0.906   4.182
 1667TIP3    H256344   0.149  -0.828   4.308
 1667TIP3   OH256345   0.469  -2.220   4.123
 1667TIP3    H156346   0.411  -2.292   4.153
 1667TIP3    H256347   0.540  -2.269   4.078
 1668TIP3   OH256348   0.980  -2.409   4.149
 1668TIP3    H156349   1.047  -2.361   4.097
 1668TIP3    H256350   0.896  -2.382   4.109
 1668TIP3   OH256351   1.177  -2.312   3.961
 1668TIP3    H156352   1.250  -2.352   3.911
 1668TIP3    H256353   1.208  -2.220   3.974
 1668TIP3   OH256354  -0.292  -2.357   3.891
 1668TIP3    H156355  -0.377  -2.369   3.843
 1668TIP3    H256356  -0.247  -2.441   3.873
 1668TIP3   OH256357  -0.407  -2.408   3.478
 1668TIP3    H156358  -0.357  -2.342   3.426
 1668TIP3    H256359  -0.451  -2.352   3.545
 1668TIP3   OH256360   0.160  -2.381   3.892
 1668TIP3    H156361   0.247  -2.342   3.871
 1668TIP3    H256362   0.166  -2.389   3.988
 1668TIP3   OH256363   0.709  -2.366   4.007
 1668TIP3    H156364   0.742  -2.390   3.919
 1668TIP3    H256365   0.680  -2.451   4.043
 1668TIP3   OH256366   0.828  -2.369   3.615
 1668TIP3    H156367   0.747  -2.316   3.606
 1668TIP3    H256368   0.790  -2.458   3.627
 1668TIP3   OH256369  -0.239  -2.228   3.324
 1668TIP3    H156370  -0.177  -2.279   3.268
 1668TIP3    H256371  -0.178  -2.192   3.391
 1668TIP3   OH256372   0.269  -2.207   3.585
 1668TIP3    H156373   0.310  -2.261   3.654
 1668TIP3    H256374   0.291  -2.119   3.619
 1668TIP3   OH256375   0.476  -0.628   3.406
 1668TIP3    H156376   0.573  -0.626   3.401
 1668TIP3    H256377   0.456  -0.693   3.337
 1669TIP3   OH256378   1.124  -0.724   3.664
 1669TIP3    H156379   1.103  -0.809   3.620
 1669TIP3    H256380   1.125  -0.664   3.589
 1669TIP3   OH256381  -0.256  -0.723   3.282
 1669TIP3    H156382  -0.261  -0.679   3.368
 1669TIP3    H256383  -0.172  -0.772   3.287
 1669TIP3   OH256384   2.487  -1.484   3.925
 1669TIP3    H156385   2.496  -1.388   3.930
 1669TIP3    H256386   2.421  -1.493   3.855
 1669TIP3   OH256387   2.384  -1.544   4.247
 1669TIP3    H156388   2.381  -1.621   4.306
 1669TIP3    H256389   2.377  -1.584   4.159
 1669TIP3   OH256390   2.741  -1.268   4.038
 1669TIP3    H156391   2.702  -1.335   4.097
 1669TIP3    H256392   2.777  -1.209   4.107
 1669TIP3   OH256393   1.697  -1.121   4.247
 1669TIP3    H156394   1.672  -1.212   4.224
 1669TIP3    H256395   1.794  -1.135   4.256
 1669TIP3   OH256396   1.394  -1.771   3.778
 1669TIP3    H156397   1.351  -1.684   3.787
 1669TIP3    H256398   1.323  -1.824   3.741
 1669TIP3   OH256399   1.470  -1.535   3.977
 1669TIP3    H156400   1.491  -1.614   4.030
 1669TIP3    H256401   1.551  -1.525   3.926
 1669TIP3   OH256402   2.447  -0.728   4.113
 1669TIP3    H156403   2.510  -0.795   4.082
 1669TIP3    H256404   2.422  -0.758   4.201
 1669TIP3   OH256405   2.190  -1.316   4.280
 1669TIP3    H156406   2.233  -1.382   4.223
 1669TIP3    H256407   2.271  -1.279   4.320
 1670TIP3   OH256408   2.537  -1.842   4.322
 1670TIP3    H156409   2.582  -1.926   4.341
 1670TIP3    H256410   2.546  -1.833   4.226
 1670TIP3   OH256411   1.850  -2.053   4.043
 1670TIP3    H156412   1.867  -1.969   3.997
 1670TIP3    H256413   1.819  -2.106   3.967
 1670TIP3   OH256414   2.641  -2.032   3.870
 1670TIP3    H156415   2.698  -2.076   3.938
 1670TIP3    H256416   2.709  -1.990   3.815
 1670TIP3   OH256417   1.551  -1.787   4.100
 1670TIP3    H156418   1.592  -1.854   4.154
 1670TIP3    H256419   1.549  -1.831   4.013
 1670TIP3   OH256420   2.053  -1.646   4.057
 1670TIP3    H156421   2.130  -1.701   4.083
 1670TIP3    H256422   2.010  -1.704   3.991
 1670TIP3   OH256423   2.484  -1.198   3.793
 1670TIP3    H156424   2.456  -1.217   3.703
 1670TIP3    H256425   2.441  -1.113   3.811
 1670TIP3   OH256426   2.820  -2.112   4.072
 1670TIP3    H156427   2.797  -2.179   4.138
 1670TIP3    H256428   2.872  -2.051   4.128
 1670TIP3   OH256429   1.772  -1.963   4.297
 1670TIP3    H156430   1.759  -1.870   4.276
 1670TIP3    H256431   1.772  -2.006   4.209
 1670TIP3   OH256432   1.462  -1.226   3.627
 1670TIP3    H156433   1.441  -1.176   3.546
 1670TIP3    H256434   1.478  -1.156   3.693
 1670TIP3   OH256435   2.814  -1.135   4.258
 1670TIP3    H156436   2.753  -1.148   4.333
 1670TIP3    H256437   2.887  -1.089   4.300
 1671TIP3   OH256438   2.147  -2.415   4.178
 1671TIP3    H156439   2.143  -2.513   4.182
 1671TIP3    H256440   2.064  -2.390   4.222
 1671TIP3   OH256441   2.637  -0.886   3.963
 1671TIP3    H156442   2.684  -0.967   3.934
 1671TIP3    H256443   2.705  -0.818   3.945
 1671TIP3   OH256444   2.782  -1.102   3.821
 1671TIP3    H156445   2.730  -1.150   3.755
 1671TIP3    H256446   2.777  -1.164   3.896
 1671TIP3   OH256447   2.361  -1.528   3.643
 1671TIP3    H156448   2.296  -1.469   3.602
 1671TIP3    H256449   2.434  -1.526   3.578
 1671TIP3   OH256450   2.390  -1.710   3.347
 1671TIP3    H156451   2.460  -1.679   3.407
 1671TIP3    H256452   2.441  -1.768   3.289
 1671TIP3   OH256453   2.710  -1.530   3.750
 1671TIP3    H156454   2.646  -1.507   3.821
 1671TIP3    H256455   2.774  -1.585   3.800
 1671TIP3   OH256456   1.873  -1.448   3.926
 1671TIP3    H156457   1.837  -1.493   3.846
 1671TIP3    H256458   1.932  -1.516   3.963
 1671TIP3   OH256459   1.971  -1.138   4.159
 1671TIP3    H156460   1.996  -1.172   4.072
 1671TIP3    H256461   2.055  -1.139   4.207
 1671TIP3   OH256462   1.891  -1.567   4.272
 1671TIP3    H156463   1.955  -1.581   4.200
 1671TIP3    H256464   1.947  -1.540   4.345
 1671TIP3   OH256465   2.606  -1.582   3.494
 1671TIP3    H156466   2.654  -1.557   3.576
 1671TIP3    H256467   2.657  -1.531   3.426
 1672TIP3   OH256468   2.352  -0.924   3.853
 1672TIP3    H156469   2.402  -0.892   3.928
 1672TIP3    H256470   2.304  -0.846   3.823
 1672TIP3   OH256471   2.946  -2.417   3.453
 1672TIP3    H156472   2.863  -2.392   3.497
 1672TIP3    H256473   2.987  -2.330   3.435
 1672TIP3   OH256474   1.763  -1.576   3.682
 1672TIP3    H156475   1.743  -1.502   3.623
 1672TIP3    H256476   1.699  -1.643   3.653
 1672TIP3   OH256477   3.092  -0.996   3.293
 1672TIP3    H156478   3.108  -0.903   3.322
 1672TIP3    H256479   3.177  -1.038   3.318
 1672TIP3   OH256480   1.384  -1.034   4.238
 1672TIP3    H156481   1.480  -1.040   4.243
 1672TIP3    H256482   1.366  -0.953   4.287
 1672TIP3   OH256483   2.309  -0.653   3.699
 1672TIP3    H156484   2.309  -0.641   3.603
 1672TIP3    H256485   2.310  -0.562   3.733
 1672TIP3   OH256486   1.688  -0.739   3.862
 1672TIP3    H156487   1.703  -0.785   3.947
 1672TIP3    H256488   1.605  -0.778   3.833
 1672TIP3   OH256489   2.637  -0.711   3.416
 1672TIP3    H156490   2.695  -0.777   3.374
 1672TIP3    H256491   2.632  -0.747   3.507
 1672TIP3   OH256492   2.578  -0.767   3.697
 1672TIP3    H156493   2.483  -0.752   3.713
 1672TIP3    H256494   2.595  -0.839   3.761
 1672TIP3   OH256495   1.903  -2.326   4.291
 1672TIP3    H156496   1.820  -2.337   4.242
 1672TIP3    H256497   1.908  -2.230   4.306
 1673TIP3   OH256498   2.763  -1.475   3.295
 1673TIP3    H156499   2.744  -1.494   3.201
 1673TIP3    H256500   2.857  -1.453   3.291
 1673TIP3   OH256501   2.324  -2.097   3.345
 1673TIP3    H156502   2.277  -2.112   3.428
 1673TIP3    H256503   2.286  -2.167   3.289
 1673TIP3   OH256504   1.892  -1.820   3.884
 1673TIP3    H156505   1.796  -1.829   3.867
 1673TIP3    H256506   1.927  -1.843   3.795
 1673TIP3   OH256507   2.450  -1.765   3.763
 1673TIP3    H156508   2.409  -1.683   3.727
 1673TIP3    H256509   2.520  -1.782   3.698
 1673TIP3   OH256510   2.529  -1.824   4.042
 1673TIP3    H156511   2.502  -1.769   3.967
 1673TIP3    H256512   2.552  -1.906   3.993
 1673TIP3   OH256513   1.970  -2.054   3.235
 1673TIP3    H156514   1.934  -2.089   3.319
 1673TIP3    H256515   1.890  -2.040   3.182
 1673TIP3   OH256516   1.319  -2.060   3.942
 1673TIP3    H156517   1.374  -2.071   4.022
 1673TIP3    H256518   1.369  -2.107   3.873
 1673TIP3   OH256519   1.474  -2.023   3.513
 1673TIP3    H156520   1.528  -1.974   3.448
 1673TIP3    H256521   1.403  -1.958   3.532
 1673TIP3   OH256522   2.159  -2.058   3.984
 1673TIP3    H156523   2.066  -2.069   4.009
 1673TIP3    H256524   2.205  -2.085   4.065
 1673TIP3   OH256525   1.623  -1.939   3.854
 1673TIP3    H156526   1.541  -1.911   3.809
 1673TIP3    H256527   1.650  -2.017   3.803
 1674TIP3   OH256528   1.986  -1.906   3.622
 1674TIP3    H156529   2.083  -1.899   3.626
 1674TIP3    H256530   1.961  -1.847   3.548
 1674TIP3   OH256531   2.603  -2.194   4.279
 1674TIP3    H156532   2.568  -2.163   4.364
 1674TIP3    H256533   2.526  -2.190   4.220
 1674TIP3   OH256534   1.832  -1.783   3.399
 1674TIP3    H156535   1.773  -1.810   3.328
 1674TIP3    H256536   1.913  -1.762   3.349
 1674TIP3   OH256537   2.254  -1.822   4.193
 1674TIP3    H156538   2.326  -1.852   4.134
 1674TIP3    H256539   2.261  -1.886   4.265
 1674TIP3   OH256540   1.800  -2.166   3.787
 1674TIP3    H156541   1.744  -2.245   3.799
 1674TIP3    H256542   1.878  -2.203   3.744
 1674TIP3   OH256543   2.177  -1.322   3.582
 1674TIP3    H156544   2.102  -1.375   3.546
 1674TIP3    H256545   2.160  -1.322   3.679
 1674TIP3   OH256546   2.593  -2.042   3.362
 1674TIP3    H156547   2.495  -2.041   3.357
 1674TIP3    H256548   2.614  -1.968   3.422
 1674TIP3   OH256549   2.662  -1.857   3.567
 1674TIP3    H156550   2.750  -1.875   3.604
 1674TIP3    H256551   2.676  -1.771   3.523
 1674TIP3   OH256552   1.680  -1.410   4.176
 1674TIP3    H156553   1.736  -1.401   4.097
 1674TIP3    H256554   1.727  -1.482   4.222
 1674TIP3   OH256555   2.418  -1.187   3.474
 1674TIP3    H156556   2.392  -1.101   3.513
 1674TIP3    H256557   2.343  -1.243   3.502
 1675TIP3   OH256558   3.121  -1.861   3.538
 1675TIP3    H156559   3.065  -1.880   3.460
 1675TIP3    H256560   3.133  -1.765   3.525
 1675TIP3   OH256561   2.933  -1.002   3.540
 1675TIP3    H156562   2.920  -1.073   3.605
 1675TIP3    H256563   3.003  -1.036   3.483
 1675TIP3   OH256564   2.653  -1.446   4.246
 1675TIP3    H156565   2.565  -1.480   4.270
 1675TIP3    H256566   2.693  -1.523   4.201
 1675TIP3   OH256567   1.932  -1.058   3.873
 1675TIP3    H156568   1.972  -0.969   3.873
 1675TIP3    H256569   1.838  -1.037   3.864
 1675TIP3   OH256570   1.530  -1.576   3.351
 1675TIP3    H156571   1.587  -1.508   3.391
 1675TIP3    H256572   1.442  -1.550   3.385
 1675TIP3   OH256573   2.113  -1.287   3.863
 1675TIP3    H156574   2.080  -1.196   3.862
 1675TIP3    H256575   2.035  -1.336   3.893
 1675TIP3   OH256576   1.975  -0.765   3.813
 1675TIP3    H156577   1.879  -0.750   3.819
 1675TIP3    H256578   2.010  -0.678   3.839
 1675TIP3   OH256579   2.686  -1.156   3.336
 1675TIP3    H156580   2.731  -1.199   3.411
 1675TIP3    H256581   2.594  -1.171   3.363
 1675TIP3   OH256582   3.159  -0.729   3.387
 1675TIP3    H156583   3.231  -0.664   3.373
 1675TIP3    H256584   3.084  -0.667   3.389
 1675TIP3   OH256585   2.785  -1.296   3.574
 1675TIP3    H156586   2.759  -1.367   3.635
 1675TIP3    H256587   2.882  -1.296   3.584
 1676TIP3   OH256588   2.112  -1.051   3.193
 1676TIP3    H156589   2.141  -1.131   3.145
 1676TIP3    H256590   2.069  -1.090   3.271
 1676TIP3   OH256591   1.997  -1.099   3.464
 1676TIP3    H156592   2.047  -1.152   3.527
 1676TIP3    H256593   2.011  -1.008   3.498
 1676TIP3   OH256594   1.681  -1.355   3.505
 1676TIP3    H156595   1.608  -1.317   3.557
 1676TIP3    H256596   1.727  -1.274   3.477
 1676TIP3   OH256597   2.510  -2.164   3.632
 1676TIP3    H156598   2.530  -2.112   3.553
 1676TIP3    H256599   2.556  -2.113   3.701
 1676TIP3   OH256600   2.291  -0.938   3.528
 1676TIP3    H156601   2.210  -0.888   3.546
 1676TIP3    H256602   2.328  -0.889   3.453
 1676TIP3   OH256603   2.252  -1.965   3.726
 1676TIP3    H156604   2.328  -1.906   3.741
 1676TIP3    H256605   2.222  -1.983   3.817
 1676TIP3   OH256606   2.308  -2.264   3.819
 1676TIP3    H156607   2.294  -2.199   3.890
 1676TIP3    H256608   2.383  -2.224   3.771
 1676TIP3   OH256609   2.011  -0.829   3.528
 1676TIP3    H156610   2.005  -0.748   3.474
 1676TIP3    H256611   1.998  -0.795   3.618
 1676TIP3   OH256612   1.884  -2.163   3.475
 1676TIP3    H156613   1.885  -2.086   3.534
 1676TIP3    H256614   1.966  -2.209   3.503
 1676TIP3   OH256615   2.760  -1.685   4.141
 1676TIP3    H156616   2.683  -1.733   4.107
 1676TIP3    H256617   2.818  -1.759   4.172
 1677TIP3   OH256618   1.724  -1.074   3.381
 1677TIP3    H156619   1.797  -1.026   3.421
 1677TIP3    H256620   1.773  -1.125   3.314
 1677TIP3   OH256621   1.538  -1.856   3.293
 1677TIP3    H156622   1.549  -1.762   3.316
 1677TIP3    H256623   1.451  -1.856   3.252
 1677TIP3   OH256624   2.894  -0.710   4.317
 1677TIP3    H156625   2.834  -0.718   4.243
 1677TIP3    H256626   2.979  -0.739   4.283
 1677TIP3   OH256627   1.628  -2.356   4.172
 1677TIP3    H156628   1.612  -2.352   4.075
 1677TIP3    H256629   1.591  -2.442   4.195
 1677TIP3   OH256630   1.519  -1.005   3.799
 1677TIP3    H156631   1.442  -0.952   3.824
 1677TIP3    H256632   1.557  -0.952   3.728
 1677TIP3   OH256633   2.334  -0.880   3.242
 1677TIP3    H156634   2.258  -0.942   3.234
 1677TIP3    H256635   2.405  -0.937   3.207
 1677TIP3   OH256636   2.798  -0.891   3.252
 1677TIP3    H156637   2.812  -0.969   3.310
 1677TIP3    H256638   2.881  -0.889   3.202
 1677TIP3   OH256639   1.877  -1.307   3.227
 1677TIP3    H156640   1.892  -1.366   3.302
 1677TIP3    H256641   1.963  -1.312   3.182
 1677TIP3   OH256642   2.400  -1.174   3.188
 1677TIP3    H156643   2.397  -1.179   3.286
 1677TIP3    H256644   2.396  -1.270   3.167
 1677TIP3   OH256645   1.987  -1.499   3.463
 1677TIP3    H156646   1.924  -1.551   3.516
 1677TIP3    H256647   2.016  -1.567   3.398
 1678TIP3   OH256648   2.081  -1.697   3.288
 1678TIP3    H156649   2.076  -1.691   3.191
 1678TIP3    H256650   2.177  -1.702   3.302
 1678TIP3   OH256651   3.033  -1.449   3.216
 1678TIP3    H156652   3.015  -1.487   3.129
 1678TIP3    H256653   3.024  -1.353   3.196
 1678TIP3   OH256654   2.058  -0.576   3.396
 1678TIP3    H156655   2.153  -0.562   3.409
 1678TIP3    H256656   2.043  -0.529   3.313
 1678TIP3   OH256657   1.448  -1.134   3.350
 1678TIP3    H156658   1.544  -1.116   3.363
 1678TIP3    H256659   1.450  -1.213   3.292
 1678TIP3   OH256660   1.351  -0.618   3.821
 1678TIP3    H156661   1.276  -0.654   3.770
 1678TIP3    H256662   1.358  -0.684   3.893
 1678TIP3   OH256663   1.387  -0.816   4.019
 1678TIP3    H156664   1.361  -0.905   4.048
 1678TIP3    H256665   1.415  -0.779   4.105
 1678TIP3   OH256666   3.169  -0.662   4.277
 1678TIP3    H156667   3.151  -0.687   4.369
 1678TIP3    H256668   3.265  -0.677   4.273
 1678TIP3   OH256669   3.075  -1.308   3.613
 1678TIP3    H156670   3.164  -1.271   3.631
 1678TIP3    H256671   3.067  -1.371   3.687
 1678TIP3   OH256672   3.119  -1.514   3.812
 1678TIP3    H156673   3.052  -1.569   3.855
 1678TIP3    H256674   3.187  -1.503   3.882
 1678TIP3   OH256675   3.089  -1.281   4.327
 1678TIP3    H156676   3.153  -1.335   4.279
 1678TIP3    H256677   3.101  -1.193   4.288
 1679TIP3   OH256678   3.143  -1.569   3.469
 1679TIP3    H156679   3.092  -1.540   3.391
 1679TIP3    H256680   3.130  -1.493   3.529
 1679TIP3   OH256681   2.968  -1.808   3.296
 1679TIP3    H156682   2.996  -1.758   3.218
 1679TIP3    H256683   2.943  -1.895   3.257
 1679TIP3   OH256684   2.905  -1.699   3.892
 1679TIP3    H156685   2.903  -1.795   3.878
 1679TIP3    H256686   2.873  -1.690   3.983
 1679TIP3   OH256687   1.396  -1.523   4.263
 1679TIP3    H156688   1.429  -1.488   4.179
 1679TIP3    H256689   1.475  -1.515   4.320
 1679TIP3   OH256690   2.910  -2.072   3.234
 1679TIP3    H156691   2.984  -2.135   3.241
 1679TIP3    H256692   2.842  -2.128   3.194
 1679TIP3   OH256693   2.897  -1.950   3.712
 1679TIP3    H156694   2.922  -2.045   3.715
 1679TIP3    H256695   2.977  -1.914   3.669
 1679TIP3   OH256696   2.919  -1.884   4.219
 1679TIP3    H156697   3.015  -1.885   4.234
 1679TIP3    H256698   2.884  -1.899   4.308
 1679TIP3   OH256699   2.943  -2.227   3.709
 1679TIP3    H156700   2.956  -2.261   3.799
 1679TIP3    H256701   2.864  -2.277   3.680
 1679TIP3   OH256702   1.470  -2.099   4.192
 1679TIP3    H156703   1.498  -2.191   4.203
 1679TIP3    H256704   1.527  -2.055   4.255
 1679TIP3   OH256705   1.313  -1.812   4.302
 1679TIP3    H156706   1.350  -1.847   4.220
 1679TIP3    H256707   1.337  -1.717   4.295
 1680TIP3   OH256708   3.155  -2.206   3.375
 1680TIP3    H156709   3.161  -2.255   3.290
 1680TIP3    H256710   3.228  -2.144   3.366
 1680TIP3   OH256711   1.366  -2.211   3.692
 1680TIP3    H156712   1.271  -2.204   3.673
 1680TIP3    H256713   1.406  -2.148   3.628
 1680TIP3   OH256714   2.831  -0.683   3.908
 1680TIP3    H156715   2.873  -0.709   3.823
 1680TIP3    H256716   2.904  -0.636   3.949
 1680TIP3   OH256717   1.531  -0.780   4.262
 1680TIP3    H156718   1.568  -0.775   4.353
 1680TIP3    H256719   1.613  -0.798   4.213
 1680TIP3   OH256720   1.752  -0.865   4.116
 1680TIP3    H156721   1.742  -0.959   4.142
 1680TIP3    H256722   1.844  -0.848   4.146
 1680TIP3   OH256723   2.019  -0.818   4.213
 1680TIP3    H156724   2.053  -0.904   4.183
 1680TIP3    H256725   2.033  -0.825   4.308
 1680TIP3   OH256726   2.356  -2.218   4.128
 1680TIP3    H156727   2.296  -2.290   4.154
 1680TIP3    H256728   2.424  -2.266   4.077
 1680TIP3   OH256729   2.855  -2.403   4.136
 1680TIP3    H156730   2.921  -2.357   4.082
 1680TIP3    H256731   2.771  -2.381   4.092
 1680TIP3   OH256732   3.060  -2.312   3.960
 1680TIP3    H156733   3.134  -2.354   3.912
 1680TIP3    H256734   3.095  -2.221   3.973
 1680TIP3   OH256735   1.595  -2.356   3.889
 1680TIP3    H156736   1.509  -2.369   3.843
 1680TIP3    H256737   1.638  -2.441   3.873
 1681TIP3   OH256738   1.478  -2.407   3.477
 1681TIP3    H156739   1.527  -2.341   3.426
 1681TIP3    H256740   1.435  -2.353   3.545
 1681TIP3   OH256741   2.046  -2.381   3.891
 1681TIP3    H156742   2.134  -2.344   3.872
 1681TIP3    H256743   2.049  -2.389   3.987
 1681TIP3   OH256744   2.595  -2.366   4.005
 1681TIP3    H156745   2.623  -2.391   3.916
 1681TIP3    H256746   2.563  -2.451   4.040
 1681TIP3   OH256747   2.711  -2.369   3.619
 1681TIP3    H156748   2.630  -2.317   3.603
 1681TIP3    H256749   2.675  -2.459   3.625
 1681TIP3   OH256750   1.495  -0.811   3.593
 1681TIP3    H156751   1.431  -0.823   3.521
 1681TIP3    H256752   1.493  -0.715   3.603
 1681TIP3   OH256753   1.647  -2.226   3.321
 1681TIP3    H156754   1.709  -2.280   3.269
 1681TIP3    H256755   1.706  -2.191   3.391
 1681TIP3   OH256756   2.155  -2.208   3.584
 1681TIP3    H156757   2.195  -2.262   3.655
 1681TIP3    H256758   2.176  -2.119   3.618
 1681TIP3   OH256759   2.362  -0.627   3.404
 1681TIP3    H156760   2.459  -0.627   3.401
 1681TIP3    H256761   2.342  -0.694   3.336
 1681TIP3   OH256762   3.007  -0.723   3.664
 1681TIP3    H156763   2.991  -0.808   3.620
 1681TIP3    H256764   3.012  -0.663   3.589
 1681TIP3   OH256765   1.638  -0.716   3.273
 1681TIP3    H156766   1.614  -0.688   3.362
 1681TIP3    H256767   1.715  -0.772   3.288
 1682TIP3   OH256768   4.290  -1.528   4.228
 1682TIP3    H156769   4.267  -1.586   4.303
 1682TIP3    H256770   4.262  -1.583   4.151
 1682TIP3   OH256771   3.579  -1.119   4.240
 1682TIP3    H156772   3.561  -1.213   4.224
 1682TIP3    H256773   3.674  -1.125   4.261
 1682TIP3   OH256774   3.280  -1.775   3.777
 1682TIP3    H156775   3.241  -1.686   3.788
 1682TIP3    H256776   3.207  -1.823   3.736
 1682TIP3   OH256777   3.353  -1.539   3.972
 1682TIP3    H156778   3.378  -1.613   4.030
 1682TIP3    H256779   3.438  -1.518   3.932
 1682TIP3   OH256780   4.059  -1.314   4.278
 1682TIP3    H156781   4.101  -1.380   4.221
 1682TIP3    H256782   4.135  -1.280   4.329
 1682TIP3   OH256783   3.742  -2.056   4.040
 1682TIP3    H156784   3.755  -1.968   4.000
 1682TIP3    H256785   3.705  -2.104   3.963
 1682TIP3   OH256786   3.430  -1.789   4.100
 1682TIP3    H156787   3.480  -1.850   4.154
 1682TIP3    H256788   3.434  -1.832   4.013
 1682TIP3   OH256789   3.936  -1.646   4.065
 1682TIP3    H156790   4.021  -1.694   4.077
 1682TIP3    H256791   3.896  -1.702   3.995
 1682TIP3   OH256792   3.667  -1.961   4.300
 1682TIP3    H156793   3.644  -1.870   4.281
 1682TIP3    H256794   3.655  -2.007   4.214
 1682TIP3   OH256795   3.346  -1.212   3.635
 1682TIP3    H156796   3.331  -1.163   3.553
 1682TIP3    H256797   3.373  -1.140   3.697
 1683TIP3   OH256798   4.036  -2.416   4.176
 1683TIP3    H156799   4.025  -2.512   4.183
 1683TIP3    H256800   3.955  -2.384   4.220
 1683TIP3   OH256801   4.287  -1.692   3.343
 1683TIP3    H156802   4.350  -1.696   3.417
 1683TIP3    H256803   4.294  -1.780   3.304
 1683TIP3   OH256804   3.761  -1.448   3.925
 1683TIP3    H156805   3.726  -1.495   3.847
 1683TIP3    H256806   3.819  -1.514   3.966
 1683TIP3   OH256807   3.878  -1.120   4.161
 1683TIP3    H156808   3.879  -1.158   4.072
 1683TIP3    H256809   3.951  -1.167   4.203
 1683TIP3   OH256810   3.770  -1.582   4.274
 1683TIP3    H156811   3.838  -1.589   4.204
 1683TIP3    H256812   3.821  -1.546   4.348
 1683TIP3   OH256813   4.259  -0.929   3.848
 1683TIP3    H156814   4.301  -0.868   3.911
 1683TIP3    H256815   4.205  -0.868   3.796
 1683TIP3   OH256816   3.652  -1.580   3.679
 1683TIP3    H156817   3.631  -1.502   3.625
 1683TIP3    H256818   3.581  -1.641   3.653
 1683TIP3   OH256819   3.269  -1.033   4.238
 1683TIP3    H156820   3.365  -1.044   4.240
 1683TIP3    H256821   3.257  -0.950   4.286
 1683TIP3   OH256822   4.205  -0.654   3.706
 1683TIP3    H156823   4.196  -0.651   3.610
 1683TIP3    H256824   4.208  -0.561   3.732
 1683TIP3   OH256825   3.792  -2.325   4.290
 1683TIP3    H156826   3.706  -2.337   4.244
 1683TIP3    H256827   3.793  -2.230   4.309
 1684TIP3   OH256828   4.231  -2.094   3.346
 1684TIP3    H156829   4.174  -2.106   3.423
 1684TIP3    H256830   4.197  -2.162   3.286
 1684TIP3   OH256831   3.776  -1.822   3.884
 1684TIP3    H156832   3.681  -1.829   3.868
 1684TIP3    H256833   3.811  -1.840   3.795
 1684TIP3   OH256834   3.864  -2.055   3.234
 1684TIP3    H156835   3.823  -2.088   3.317
 1684TIP3    H256836   3.785  -2.038   3.180
 1684TIP3   OH256837   3.200  -2.066   3.945
 1684TIP3    H156838   3.261  -2.069   4.021
 1684TIP3    H256839   3.252  -2.104   3.872
 1684TIP3   OH256840   3.361  -2.022   3.514
 1684TIP3    H156841   3.412  -1.975   3.446
 1684TIP3    H256842   3.287  -1.962   3.529
 1684TIP3   OH256843   4.046  -2.075   3.981
 1684TIP3    H156844   3.952  -2.071   4.004
 1684TIP3    H256845   4.085  -2.065   4.069
 1684TIP3   OH256846   3.507  -1.940   3.854
 1684TIP3    H156847   3.426  -1.910   3.809
 1684TIP3    H256848   3.534  -2.018   3.802
 1684TIP3   OH256849   3.884  -1.914   3.617
 1684TIP3    H156850   3.975  -1.882   3.626
 1684TIP3    H256851   3.845  -1.852   3.552
 1684TIP3   OH256852   3.723  -1.789   3.400
 1684TIP3    H156853   3.661  -1.810   3.328
 1684TIP3    H256854   3.803  -1.766   3.350
 1684TIP3   OH256855   4.125  -1.840   4.163
 1684TIP3    H156856   4.195  -1.857   4.098
 1684TIP3    H256857   4.162  -1.877   4.244
 1685TIP3   OH256858   3.684  -2.166   3.783
 1685TIP3    H156859   3.627  -2.243   3.800
 1685TIP3    H256860   3.764  -2.208   3.747
 1685TIP3   OH256861   4.080  -1.338   3.581
 1685TIP3    H156862   4.004  -1.389   3.547
 1685TIP3    H256863   4.070  -1.345   3.677
 1685TIP3   OH256864   3.560  -1.422   4.171
 1685TIP3    H156865   3.623  -1.401   4.100
 1685TIP3    H256866   3.615  -1.482   4.226
 1685TIP3   OH256867   4.288  -1.186   3.483
 1685TIP3    H156868   4.250  -1.103   3.517
 1685TIP3    H256869   4.219  -1.250   3.513
 1685TIP3   OH256870   3.825  -1.041   3.879
 1685TIP3    H156871   3.865  -0.958   3.851
 1685TIP3    H256872   3.734  -1.023   3.848
 1685TIP3   OH256873   3.415  -1.576   3.351
 1685TIP3    H156874   3.473  -1.508   3.391
 1685TIP3    H256875   3.328  -1.549   3.386
 1685TIP3   OH256876   3.995  -1.274   3.869
 1685TIP3    H156877   3.953  -1.186   3.863
 1685TIP3    H256878   3.920  -1.332   3.889
 1685TIP3   OH256879   3.991  -1.049   3.190
 1685TIP3    H156880   4.031  -1.128   3.148
 1685TIP3    H256881   3.961  -1.087   3.275
 1685TIP3   OH256882   3.898  -1.089   3.477
 1685TIP3    H156883   3.933  -1.144   3.549
 1685TIP3    H256884   3.882  -1.005   3.523
 1685TIP3   OH256885   3.560  -1.353   3.506
 1685TIP3    H156886   3.492  -1.313   3.562
 1685TIP3    H256887   3.609  -1.273   3.478
 1686TIP3   OH256888   4.155  -0.926   3.527
 1686TIP3    H156889   4.078  -0.869   3.548
 1686TIP3    H256890   4.200  -0.876   3.459
 1686TIP3   OH256891   4.162  -1.954   3.734
 1686TIP3    H156892   4.206  -1.878   3.775
 1686TIP3    H256893   4.115  -1.988   3.812
 1686TIP3   OH256894   4.192  -2.266   3.844
 1686TIP3    H156895   4.164  -2.187   3.897
 1686TIP3    H256896   4.271  -2.232   3.799
 1686TIP3   OH256897   3.770  -2.161   3.471
 1686TIP3    H156898   3.768  -2.086   3.533
 1686TIP3    H256899   3.850  -2.209   3.499
 1686TIP3   OH256900   3.611  -1.077   3.379
 1686TIP3    H156901   3.667  -1.016   3.431
 1686TIP3    H256902   3.677  -1.123   3.325
 1686TIP3   OH256903   3.424  -1.854   3.288
 1686TIP3    H156904   3.432  -1.761   3.314
 1686TIP3    H256905   3.333  -1.859   3.255
 1686TIP3   OH256906   3.513  -2.357   4.172
 1686TIP3    H156907   3.497  -2.353   4.076
 1686TIP3    H256908   3.479  -2.444   4.196
 1686TIP3   OH256909   3.427  -0.995   3.802
 1686TIP3    H156910   3.356  -0.933   3.823
 1686TIP3    H256911   3.485  -0.938   3.748
 1686TIP3   OH256912   4.231  -0.882   3.225
 1686TIP3    H156913   4.148  -0.934   3.228
 1686TIP3    H256914   4.295  -0.955   3.213
 1686TIP3   OH256915   3.764  -1.307   3.228
 1686TIP3    H156916   3.780  -1.365   3.305
 1686TIP3    H256917   3.851  -1.309   3.185
 1687TIP3   OH256918   4.257  -1.174   3.184
 1687TIP3    H156919   4.276  -1.163   3.279
 1687TIP3    H256920   4.243  -1.270   3.179
 1687TIP3   OH256921   3.867  -1.497   3.454
 1687TIP3    H156922   3.810  -1.546   3.515
 1687TIP3    H256923   3.902  -1.569   3.397
 1687TIP3   OH256924   3.981  -1.701   3.290
 1687TIP3    H156925   3.971  -1.691   3.194
 1687TIP3    H256926   4.076  -1.685   3.302
 1687TIP3   OH256927   3.960  -0.567   3.419
 1687TIP3    H156928   4.052  -0.590   3.409
 1687TIP3    H256929   3.929  -0.562   3.328
 1687TIP3   OH256930   3.334  -1.133   3.348
 1687TIP3    H156931   3.429  -1.115   3.368
 1687TIP3    H256932   3.340  -1.214   3.294
 1687TIP3   OH256933   3.233  -0.612   3.826
 1687TIP3    H156934   3.164  -0.653   3.771
 1687TIP3    H256935   3.247  -0.682   3.894
 1687TIP3   OH256936   3.266  -0.811   4.022
 1687TIP3    H156937   3.247  -0.903   4.047
 1687TIP3    H256938   3.305  -0.780   4.105
 1687TIP3   OH256939   3.278  -1.508   4.260
 1687TIP3    H156940   3.316  -1.481   4.174
 1687TIP3    H256941   3.359  -1.515   4.314
 1687TIP3   OH256942   3.356  -2.099   4.190
 1687TIP3    H156943   3.386  -2.190   4.205
 1687TIP3    H256944   3.407  -2.053   4.258
 1687TIP3   OH256945   3.193  -1.811   4.302
 1687TIP3    H156946   3.239  -1.847   4.224
 1687TIP3    H256947   3.224  -1.719   4.300
 1688TIP3   OH256948   3.251  -2.207   3.695
 1688TIP3    H156949   3.156  -2.205   3.671
 1688TIP3    H256950   3.291  -2.151   3.626
 1688TIP3   OH256951   3.413  -0.778   4.265
 1688TIP3    H156952   3.457  -0.781   4.352
 1688TIP3    H256953   3.492  -0.800   4.209
 1688TIP3   OH256954   3.627  -0.850   4.120
 1688TIP3    H156955   3.617  -0.947   4.115
 1688TIP3    H256956   3.723  -0.840   4.124
 1688TIP3   OH256957   3.916  -0.816   4.213
 1688TIP3    H156958   3.923  -0.908   4.181
 1688TIP3    H256959   3.909  -0.831   4.308
 1688TIP3   OH256960   4.274  -2.255   4.135
 1688TIP3    H156961   4.193  -2.302   4.159
 1688TIP3    H256962   4.293  -2.294   4.049
 1688TIP3   OH256963   3.481  -2.355   3.888
 1688TIP3    H156964   3.395  -2.367   3.843
 1688TIP3    H256965   3.523  -2.442   3.872
 1688TIP3   OH256966   3.369  -2.409   3.478
 1688TIP3    H156967   3.414  -2.340   3.424
 1688TIP3    H256968   3.315  -2.354   3.537
 1688TIP3   OH256969   3.935  -2.378   3.886
 1688TIP3    H156970   4.026  -2.344   3.876
 1688TIP3    H256971   3.930  -2.386   3.982
 1688TIP3   OH256972   3.352  -0.819   3.588
 1688TIP3    H156973   3.296  -0.809   3.510
 1688TIP3    H256974   3.390  -0.732   3.600
 1688TIP3   OH256975   3.533  -2.225   3.321
 1688TIP3    H156976   3.595  -2.278   3.267
 1688TIP3    H256977   3.593  -2.191   3.390
 1689TIP3   OH256978   4.072  -2.201   3.580
 1689TIP3    H156979   4.067  -2.259   3.658
 1689TIP3    H256980   4.051  -2.114   3.620
 1689TIP3   OH256981   4.263  -0.645   3.398
 1689TIP3    H156982   4.353  -0.612   3.383
 1689TIP3    H256983   4.251  -0.706   3.324
 1689TIP3   OH256984   3.528  -0.714   3.277
 1689TIP3    H156985   3.504  -0.694   3.369
 1689TIP3    H256986   3.603  -0.774   3.292
 1689TIP3   OH256987  -3.168   0.402   3.923
 1689TIP3    H156988  -3.161   0.498   3.930
 1689TIP3    H256989  -3.237   0.393   3.855
 1689TIP3   OH256990  -3.276   0.343   4.247
 1689TIP3    H156991  -3.277   0.268   4.309
 1689TIP3    H256992  -3.280   0.299   4.161
 1689TIP3   OH256993  -2.921   0.621   4.036
 1689TIP3    H156994  -2.957   0.552   4.093
 1689TIP3    H256995  -2.876   0.672   4.107
 1689TIP3   OH256996  -3.954   0.766   4.244
 1689TIP3    H156997  -3.986   0.677   4.224
 1689TIP3    H256998  -3.859   0.747   4.253
 1689TIP3   OH256999  -4.220   0.147   3.651
 1689TIP3    H157000  -4.246   0.220   3.708
 1689TIP3    H257001  -4.296   0.088   3.657
 1689TIP3   OH257002  -4.202   0.333   3.948
 1689TIP3    H157003  -4.179   0.278   4.024
 1689TIP3    H257004  -4.120   0.381   3.931
 1689TIP3   OH257005  -3.208   1.162   4.114
 1689TIP3    H157006  -3.149   1.094   4.078
 1689TIP3    H257007  -3.235   1.125   4.200
 1690TIP3   OH257008  -3.467   0.572   4.278
 1690TIP3    H157009  -3.424   0.502   4.225
 1690TIP3    H257010  -3.386   0.607   4.321
 1690TIP3   OH257011  -3.117   0.046   4.321
 1690TIP3    H157012  -3.075  -0.038   4.344
 1690TIP3    H257013  -3.110   0.049   4.224
 1690TIP3   OH257014  -3.809  -0.167   4.043
 1690TIP3    H157015  -3.788  -0.084   3.996
 1690TIP3    H257016  -3.840  -0.222   3.968
 1690TIP3   OH257017  -3.017  -0.148   3.865
 1690TIP3    H157018  -2.965  -0.188   3.939
 1690TIP3    H257019  -2.946  -0.104   3.816
 1690TIP3   OH257020  -4.120   0.101   4.102
 1690TIP3    H157021  -4.078   0.044   4.168
 1690TIP3    H257022  -4.108   0.048   4.022
 1690TIP3   OH257023  -3.603   0.240   4.056
 1690TIP3    H157024  -3.527   0.185   4.083
 1690TIP3    H257025  -3.647   0.180   3.992
 1690TIP3   OH257026  -3.169   0.689   3.792
 1690TIP3    H157027  -3.203   0.666   3.705
 1690TIP3    H257028  -3.215   0.773   3.811
 1690TIP3   OH257029  -2.843  -0.206   4.067
 1690TIP3    H157030  -2.844  -0.296   4.107
 1690TIP3    H257031  -2.791  -0.160   4.135
 1690TIP3   OH257032  -3.877  -0.076   4.298
 1690TIP3    H157033  -3.900   0.015   4.279
 1690TIP3    H257034  -3.884  -0.120   4.210
 1690TIP3   OH257035  -4.183   0.651   3.630
 1690TIP3    H157036  -4.263   0.670   3.578
 1690TIP3    H257037  -4.190   0.714   3.704
 1691TIP3   OH257038  -2.832   0.695   4.279
 1691TIP3    H157039  -2.897   0.715   4.348
 1691TIP3    H257040  -2.787   0.781   4.267
 1691TIP3   OH257041  -3.510  -0.531   4.177
 1691TIP3    H157042  -3.514  -0.628   4.183
 1691TIP3    H257043  -3.593  -0.505   4.222
 1691TIP3   OH257044  -3.028   1.000   3.956
 1691TIP3    H157045  -2.978   0.918   3.938
 1691TIP3    H257046  -2.955   1.065   3.954
 1691TIP3   OH257047  -2.871   0.781   3.816
 1691TIP3    H157048  -2.931   0.735   3.756
 1691TIP3    H257049  -2.878   0.723   3.895
 1691TIP3   OH257050  -3.296   0.359   3.642
 1691TIP3    H157051  -3.362   0.417   3.600
 1691TIP3    H257052  -3.223   0.360   3.578
 1691TIP3   OH257053  -3.267   0.177   3.346
 1691TIP3    H157054  -3.197   0.207   3.407
 1691TIP3    H257055  -3.217   0.117   3.289
 1691TIP3   OH257056  -2.946   0.356   3.750
 1691TIP3    H157057  -3.011   0.379   3.820
 1691TIP3    H257058  -2.884   0.300   3.800
 1691TIP3   OH257059  -3.780   0.438   3.924
 1691TIP3    H157060  -3.818   0.392   3.846
 1691TIP3    H257061  -3.724   0.370   3.963
 1691TIP3   OH257062  -3.681   0.753   4.157
 1691TIP3    H157063  -3.660   0.712   4.072
 1691TIP3    H257064  -3.599   0.742   4.206
 1691TIP3   OH257065  -3.767   0.322   4.269
 1691TIP3    H157066  -3.697   0.304   4.202
 1691TIP3    H257067  -3.714   0.340   4.348
 1692TIP3   OH257068  -3.050   0.303   3.494
 1692TIP3    H157069  -3.003   0.329   3.576
 1692TIP3    H257070  -2.999   0.354   3.427
 1692TIP3   OH257071  -3.310   0.960   3.854
 1692TIP3    H157072  -3.248   0.990   3.922
 1692TIP3    H257073  -3.353   1.041   3.826
 1692TIP3   OH257074  -2.705  -0.525   3.444
 1692TIP3    H157075  -2.793  -0.516   3.485
 1692TIP3    H257076  -2.670  -0.434   3.451
 1692TIP3   OH257077  -3.894   0.309   3.681
 1692TIP3    H157078  -3.917   0.384   3.623
 1692TIP3    H257079  -3.958   0.242   3.654
 1692TIP3   OH257080  -2.566   0.890   3.294
 1692TIP3    H157081  -2.551   0.983   3.322
 1692TIP3    H257082  -2.480   0.849   3.317
 1692TIP3   OH257083  -4.290   0.869   4.215
 1692TIP3    H157084  -4.210   0.822   4.241
 1692TIP3    H257085  -4.303   0.923   4.294
 1692TIP3   OH257086  -3.352   1.234   3.699
 1692TIP3    H157087  -3.346   1.244   3.603
 1692TIP3    H257088  -3.345   1.325   3.732
 1692TIP3   OH257089  -3.978   1.146   3.863
 1692TIP3    H157090  -3.952   1.104   3.948
 1692TIP3    H257091  -4.056   1.093   3.842
 1692TIP3   OH257092  -3.022   1.174   3.417
 1692TIP3    H157093  -2.961   1.110   3.375
 1692TIP3    H257094  -3.025   1.138   3.509
 1692TIP3   OH257095  -3.081   1.117   3.695
 1692TIP3    H157096  -3.175   1.130   3.715
 1692TIP3    H257097  -3.057   1.052   3.763
 1693TIP3   OH257098  -3.753  -0.441   4.291
 1693TIP3    H157099  -3.836  -0.456   4.242
 1693TIP3    H257100  -3.753  -0.345   4.306
 1693TIP3   OH257101  -2.894   0.410   3.295
 1693TIP3    H157102  -2.913   0.391   3.201
 1693TIP3    H257103  -2.800   0.434   3.290
 1693TIP3   OH257104  -3.331  -0.213   3.345
 1693TIP3    H157105  -3.378  -0.228   3.428
 1693TIP3    H257106  -3.371  -0.281   3.288
 1693TIP3   OH257107  -3.767   0.065   3.883
 1693TIP3    H157108  -3.863   0.057   3.865
 1693TIP3    H257109  -3.731   0.043   3.795
 1693TIP3   OH257110  -3.207   0.122   3.763
 1693TIP3    H157111  -3.248   0.203   3.727
 1693TIP3    H257112  -3.137   0.104   3.697
 1693TIP3   OH257113  -3.128   0.061   4.042
 1693TIP3    H157114  -3.155   0.116   3.965
 1693TIP3    H257115  -3.105  -0.022   3.995
 1693TIP3   OH257116  -3.689  -0.161   3.240
 1693TIP3    H157117  -3.725  -0.205   3.319
 1693TIP3    H257118  -3.766  -0.158   3.182
 1693TIP3   OH257119  -4.316  -0.161   3.937
 1693TIP3    H157120  -4.300  -0.185   4.030
 1693TIP3    H257121  -4.286  -0.240   3.892
 1693TIP3   OH257122  -4.209  -0.125   3.526
 1693TIP3    H157123  -4.148  -0.100   3.455
 1693TIP3    H257124  -4.293  -0.090   3.495
 1693TIP3   OH257125  -3.499  -0.169   3.985
 1693TIP3    H157126  -3.591  -0.186   4.012
 1693TIP3    H257127  -3.450  -0.201   4.062
 1694TIP3   OH257128  -4.038  -0.048   3.845
 1694TIP3    H157129  -4.118  -0.042   3.790
 1694TIP3    H257130  -4.001  -0.133   3.816
 1694TIP3   OH257131  -3.671  -0.021   3.621
 1694TIP3    H157132  -3.574  -0.016   3.629
 1694TIP3    H257133  -3.693   0.041   3.549
 1694TIP3   OH257134  -3.058  -0.314   4.282
 1694TIP3    H157135  -3.091  -0.275   4.365
 1694TIP3    H257136  -3.130  -0.302   4.220
 1694TIP3   OH257137  -3.827   0.110   3.398
 1694TIP3    H157138  -3.885   0.072   3.330
 1694TIP3    H257139  -3.744   0.123   3.348
 1694TIP3   OH257140  -3.403   0.064   4.192
 1694TIP3    H157141  -3.331   0.033   4.135
 1694TIP3    H257142  -3.397   0.000   4.265
 1694TIP3   OH257143  -3.872  -0.285   3.793
 1694TIP3    H157144  -3.917  -0.370   3.799
 1694TIP3    H257145  -3.791  -0.308   3.745
 1694TIP3   OH257146  -3.481   0.565   3.581
 1694TIP3    H157147  -3.556   0.512   3.547
 1694TIP3    H257148  -3.497   0.564   3.678
 1694TIP3   OH257149  -3.062  -0.153   3.357
 1694TIP3    H157150  -3.160  -0.157   3.356
 1694TIP3    H257151  -3.043  -0.083   3.423
 1694TIP3   OH257152  -2.994   0.027   3.563
 1694TIP3    H157153  -2.908   0.010   3.605
 1694TIP3    H257154  -2.981   0.115   3.523
 1694TIP3   OH257155  -3.975   0.459   4.159
 1694TIP3    H157156  -3.911   0.481   4.089
 1694TIP3    H257157  -3.919   0.400   4.213
 1695TIP3   OH257158  -3.239   0.699   3.472
 1695TIP3    H157159  -3.263   0.784   3.513
 1695TIP3    H257160  -3.312   0.642   3.501
 1695TIP3   OH257161  -2.534   0.024   3.538
 1695TIP3    H157162  -2.592   0.007   3.461
 1695TIP3    H257163  -2.522   0.121   3.526
 1695TIP3   OH257164  -2.721   0.886   3.542
 1695TIP3    H157165  -2.739   0.814   3.605
 1695TIP3    H257166  -2.657   0.847   3.481
 1695TIP3   OH257167  -3.006   0.438   4.245
 1695TIP3    H157168  -3.092   0.402   4.271
 1695TIP3    H257169  -2.964   0.361   4.201
 1695TIP3   OH257170  -3.726   0.827   3.871
 1695TIP3    H157171  -3.685   0.915   3.875
 1695TIP3    H257172  -3.820   0.850   3.865
 1695TIP3   OH257173  -4.152   0.327   3.358
 1695TIP3    H157174  -4.080   0.381   3.398
 1695TIP3    H257175  -4.228   0.383   3.378
 1695TIP3   OH257176  -3.543   0.599   3.861
 1695TIP3    H157177  -3.578   0.690   3.861
 1695TIP3    H257178  -3.620   0.549   3.893
 1695TIP3   OH257179  -3.681   1.122   3.810
 1695TIP3    H157180  -3.777   1.135   3.820
 1695TIP3    H257181  -3.646   1.208   3.839
 1695TIP3   OH257182  -2.970   0.729   3.336
 1695TIP3    H157183  -2.926   0.685   3.411
 1695TIP3    H257184  -3.062   0.715   3.362
 1695TIP3   OH257185  -2.495   1.156   3.389
 1695TIP3    H157186  -2.426   1.221   3.370
 1695TIP3    H257187  -2.572   1.215   3.393
 1696TIP3   OH257188  -2.873   0.589   3.572
 1696TIP3    H157189  -2.900   0.519   3.634
 1696TIP3    H257190  -2.777   0.590   3.584
 1696TIP3   OH257191  -3.546   0.834   3.193
 1696TIP3    H157192  -3.515   0.755   3.145
 1696TIP3    H257193  -3.587   0.794   3.271
 1696TIP3   OH257194  -3.664   0.786   3.466
 1696TIP3    H157195  -3.611   0.732   3.527
 1696TIP3    H257196  -3.647   0.877   3.500
 1696TIP3   OH257197  -3.987   0.528   3.498
 1696TIP3    H157198  -4.056   0.568   3.556
 1696TIP3    H257199  -3.935   0.607   3.478
 1696TIP3   OH257200  -3.145  -0.278   3.632
 1696TIP3    H157201  -3.126  -0.223   3.555
 1696TIP3    H257202  -3.101  -0.229   3.704
 1696TIP3   OH257203  -3.366   0.948   3.528
 1696TIP3    H157204  -3.447   0.998   3.546
 1696TIP3    H257205  -3.329   0.996   3.453
 1696TIP3   OH257206  -3.407  -0.076   3.726
 1696TIP3    H157207  -3.329  -0.020   3.743
 1696TIP3    H257208  -3.435  -0.098   3.817
 1696TIP3   OH257209  -3.351  -0.377   3.816
 1696TIP3    H157210  -3.359  -0.318   3.893
 1696TIP3    H257211  -3.273  -0.340   3.772
 1696TIP3   OH257212  -3.646   1.057   3.527
 1696TIP3    H157213  -3.653   1.140   3.475
 1696TIP3    H257214  -3.658   1.089   3.619
 1696TIP3   OH257215  -3.774  -0.277   3.480
 1696TIP3    H157216  -3.766  -0.197   3.535
 1696TIP3    H257217  -3.692  -0.325   3.505
 1697TIP3   OH257218  -2.896   0.202   4.137
 1697TIP3    H157219  -2.975   0.152   4.108
 1697TIP3    H257220  -2.839   0.130   4.173
 1697TIP3   OH257221  -3.930   0.817   3.379
 1697TIP3    H157222  -3.853   0.855   3.424
 1697TIP3    H257223  -3.885   0.757   3.318
 1697TIP3   OH257224  -4.109   0.030   3.293
 1697TIP3    H157225  -4.110   0.122   3.322
 1697TIP3    H257226  -4.195   0.016   3.252
 1697TIP3   OH257227  -2.796   1.168   4.362
 1697TIP3    H157228  -2.825   1.224   4.287
 1697TIP3    H257229  -2.701   1.173   4.348
 1697TIP3   OH257230  -4.024  -0.483   4.168
 1697TIP3    H157231  -4.057  -0.478   4.076
 1697TIP3    H257232  -4.075  -0.556   4.205
 1697TIP3   OH257233  -4.137   0.891   3.798
 1697TIP3    H157234  -4.227   0.925   3.802
 1697TIP3    H257235  -4.103   0.930   3.716
 1697TIP3   OH257236  -3.323   1.006   3.242
 1697TIP3    H157237  -3.398   0.942   3.234
 1697TIP3    H257238  -3.251   0.951   3.208
 1697TIP3   OH257239  -2.860   0.995   3.252
 1697TIP3    H157240  -2.845   0.917   3.309
 1697TIP3    H257241  -2.778   0.998   3.201
 1697TIP3   OH257242  -3.781   0.577   3.228
 1697TIP3    H157243  -3.763   0.518   3.303
 1697TIP3    H257244  -3.695   0.574   3.181
 1697TIP3   OH257245  -3.258   0.711   3.189
 1697TIP3    H157246  -3.260   0.706   3.286
 1697TIP3    H257247  -3.261   0.615   3.167
 1698TIP3   OH257248  -3.674   0.388   3.461
 1698TIP3    H157249  -3.733   0.335   3.517
 1698TIP3    H257250  -3.642   0.320   3.398
 1698TIP3   OH257251  -3.575   0.190   3.288
 1698TIP3    H157252  -3.579   0.195   3.191
 1698TIP3    H257253  -3.479   0.184   3.303
 1698TIP3   OH257254  -2.624   0.440   3.219
 1698TIP3    H157255  -2.636   0.397   3.134
 1698TIP3    H257256  -2.636   0.534   3.196
 1698TIP3   OH257257  -3.601   1.315   3.398
 1698TIP3    H157258  -3.505   1.321   3.411
 1698TIP3    H257259  -3.610   1.349   3.308
 1698TIP3   OH257260  -4.199   0.801   3.305
 1698TIP3    H157261  -4.122   0.796   3.364
 1698TIP3    H257262  -4.217   0.708   3.284
 1698TIP3   OH257263  -4.275   1.078   4.017
 1698TIP3    H157264  -4.276   0.988   4.054
 1698TIP3    H257265  -4.245   1.125   4.097
 1698TIP3   OH257266  -2.518   1.209   4.286
 1698TIP3    H157267  -2.510   1.183   4.379
 1698TIP3    H257268  -2.425   1.217   4.261
 1698TIP3   OH257269  -2.585   0.576   3.613
 1698TIP3    H157270  -2.494   0.608   3.631
 1698TIP3    H257271  -2.595   0.514   3.686
 1698TIP3   OH257272  -2.537   0.370   3.812
 1698TIP3    H157273  -2.606   0.317   3.855
 1698TIP3    H257274  -2.471   0.382   3.883
 1698TIP3   OH257275  -2.548   0.606   4.337
 1698TIP3    H157276  -2.501   0.552   4.272
 1698TIP3    H257277  -2.565   0.689   4.290
 1699TIP3   OH257278  -2.513   0.317   3.468
 1699TIP3    H157279  -2.565   0.347   3.391
 1699TIP3    H257280  -2.527   0.391   3.529
 1699TIP3   OH257281  -2.689   0.074   3.294
 1699TIP3    H157282  -2.662   0.131   3.222
 1699TIP3    H257283  -2.712  -0.009   3.249
 1699TIP3   OH257284  -2.751   0.186   3.892
 1699TIP3    H157285  -2.754   0.090   3.879
 1699TIP3    H257286  -2.784   0.196   3.983
 1699TIP3   OH257287  -4.229   0.441   4.306
 1699TIP3    H157288  -4.240   0.441   4.209
 1699TIP3    H257289  -4.141   0.403   4.315
 1699TIP3   OH257290  -2.740  -0.192   3.215
 1699TIP3    H157291  -2.682  -0.242   3.275
 1699TIP3    H257292  -2.820  -0.246   3.210
 1699TIP3   OH257293  -2.760  -0.064   3.709
 1699TIP3    H157294  -2.736  -0.159   3.716
 1699TIP3    H257295  -2.678  -0.029   3.669
 1699TIP3   OH257296  -2.736   0.009   4.222
 1699TIP3    H157297  -2.640   0.000   4.239
 1699TIP3    H257298  -2.774  -0.026   4.305
 1699TIP3   OH257299  -2.712  -0.344   3.707
 1699TIP3    H157300  -2.702  -0.376   3.798
 1699TIP3    H257301  -2.793  -0.392   3.678
 1699TIP3   OH257302  -4.171  -0.192   4.198
 1699TIP3    H157303  -4.174  -0.288   4.209
 1699TIP3    H257304  -4.105  -0.169   4.265
 1699TIP3   OH257305  -4.347   0.062   4.318
 1699TIP3    H157306  -4.312   0.010   4.244
 1699TIP3    H257307  -4.288   0.139   4.317
 1700TIP3   OH257308  -2.516  -0.294   3.372
 1700TIP3    H157309  -2.484  -0.376   3.330
 1700TIP3    H257310  -2.433  -0.244   3.384
 1700TIP3   OH257311  -4.316  -0.341   3.649
 1700TIP3    H157312  -4.402  -0.317   3.611
 1700TIP3    H257313  -4.259  -0.269   3.614
 1700TIP3   OH257314  -2.833   1.208   3.899
 1700TIP3    H157315  -2.780   1.178   3.823
 1700TIP3    H257316  -2.764   1.241   3.959
 1700TIP3   OH257317  -4.155   1.122   4.264
 1700TIP3    H157318  -4.128   1.118   4.358
 1700TIP3    H257319  -4.069   1.102   4.223
 1700TIP3   OH257320  -3.909   1.023   4.115
 1700TIP3    H157321  -3.924   0.931   4.146
 1700TIP3    H257322  -3.820   1.041   4.149
 1700TIP3   OH257323  -3.634   1.069   4.213
 1700TIP3    H157324  -3.609   0.981   4.182
 1700TIP3    H257325  -3.626   1.058   4.308
 1700TIP3   OH257326  -3.303  -0.331   4.122
 1700TIP3    H157327  -3.360  -0.405   4.153
 1700TIP3    H257328  -3.231  -0.381   4.077
 1700TIP3   OH257329  -2.805  -0.458   4.149
 1700TIP3    H157330  -2.722  -0.502   4.128
 1700TIP3    H257331  -2.874  -0.521   4.124
 1700TIP3   OH257332  -2.588  -0.430   3.955
 1700TIP3    H157333  -2.513  -0.467   3.905
 1700TIP3    H257334  -2.560  -0.338   3.973
 1700TIP3   OH257335  -4.107  -0.483   3.885
 1700TIP3    H157336  -4.181  -0.511   3.830
 1700TIP3    H257337  -4.046  -0.558   3.875
 1701TIP3   OH257338  -4.180  -0.523   3.470
 1701TIP3    H157339  -4.132  -0.455   3.420
 1701TIP3    H257340  -4.234  -0.468   3.530
 1701TIP3   OH257341  -3.612  -0.492   3.891
 1701TIP3    H157342  -3.523  -0.459   3.872
 1701TIP3    H257343  -3.608  -0.504   3.987
 1701TIP3   OH257344  -3.081  -0.478   3.998
 1701TIP3    H157345  -3.030  -0.504   3.920
 1701TIP3    H257346  -3.099  -0.563   4.041
 1701TIP3   OH257347  -2.944  -0.484   3.616
 1701TIP3    H157348  -3.026  -0.432   3.604
 1701TIP3    H257349  -2.980  -0.573   3.629
 1701TIP3   OH257350  -4.189   1.079   3.573
 1701TIP3    H157351  -4.251   1.062   3.501
 1701TIP3    H257352  -4.183   1.176   3.571
 1701TIP3   OH257353  -4.004  -0.329   3.320
 1701TIP3    H157354  -3.951  -0.394   3.271
 1701TIP3    H257355  -3.942  -0.306   3.392
 1701TIP3   OH257356  -3.501  -0.320   3.583
 1701TIP3    H157357  -3.463  -0.378   3.652
 1701TIP3    H257358  -3.479  -0.234   3.621
 1701TIP3   OH257359  -3.296   1.260   3.402
 1701TIP3    H157360  -3.198   1.260   3.401
 1701TIP3    H257361  -3.313   1.190   3.336
 1701TIP3   OH257362  -2.645   1.161   3.664
 1701TIP3    H157363  -2.669   1.078   3.618
 1701TIP3    H257364  -2.648   1.225   3.591
 1701TIP3   OH257365  -4.009   1.182   3.272
 1701TIP3    H157366  -4.040   1.195   3.363
 1701TIP3    H257367  -3.943   1.112   3.283
 1702TIP3   OH257368  -1.282   0.402   3.922
 1702TIP3    H157369  -1.276   0.499   3.930
 1702TIP3    H257370  -1.352   0.392   3.856
 1702TIP3   OH257371  -1.385   0.342   4.246
 1702TIP3    H157372  -1.390   0.268   4.309
 1702TIP3    H257373  -1.397   0.298   4.161
 1702TIP3   OH257374  -1.026   0.617   4.043
 1702TIP3    H157375  -1.064   0.552   4.104
 1702TIP3    H257376  -0.992   0.680   4.110
 1702TIP3   OH257377  -2.074   0.765   4.247
 1702TIP3    H157378  -2.101   0.674   4.223
 1702TIP3    H257379  -1.978   0.749   4.258
 1702TIP3   OH257380  -2.376   0.115   3.776
 1702TIP3    H157381  -2.419   0.201   3.787
 1702TIP3    H257382  -2.449   0.061   3.742
 1702TIP3   OH257383  -2.302   0.350   3.974
 1702TIP3    H157384  -2.281   0.272   4.030
 1702TIP3    H257385  -2.218   0.361   3.927
 1702TIP3   OH257386  -1.324   1.159   4.113
 1702TIP3    H157387  -1.260   1.092   4.083
 1702TIP3    H257388  -1.350   1.127   4.201
 1702TIP3   OH257389  -1.582   0.570   4.277
 1702TIP3    H157390  -1.537   0.503   4.223
 1702TIP3    H257391  -1.502   0.607   4.321
 1702TIP3   OH257392  -1.232   0.045   4.322
 1702TIP3    H157393  -1.189  -0.040   4.342
 1702TIP3    H257394  -1.225   0.050   4.225
 1702TIP3   OH257395  -1.921  -0.168   4.042
 1702TIP3    H157396  -1.904  -0.083   3.997
 1702TIP3    H257397  -1.953  -0.221   3.966
 1703TIP3   OH257398  -1.132  -0.148   3.864
 1703TIP3    H157399  -1.079  -0.187   3.938
 1703TIP3    H257400  -1.061  -0.103   3.816
 1703TIP3   OH257401  -2.221   0.100   4.099
 1703TIP3    H157402  -2.181   0.034   4.157
 1703TIP3    H257403  -2.221   0.052   4.014
 1703TIP3   OH257404  -1.716   0.240   4.055
 1703TIP3    H157405  -1.641   0.184   4.083
 1703TIP3    H257406  -1.761   0.181   3.991
 1703TIP3   OH257407  -1.283   0.690   3.792
 1703TIP3    H157408  -1.318   0.667   3.706
 1703TIP3    H257409  -1.329   0.774   3.812
 1703TIP3   OH257410  -0.957  -0.202   4.065
 1703TIP3    H157411  -0.957  -0.294   4.100
 1703TIP3    H257412  -0.906  -0.159   4.136
 1703TIP3   OH257413  -1.995  -0.076   4.298
 1703TIP3    H157414  -2.014   0.016   4.278
 1703TIP3    H257415  -2.000  -0.121   4.211
 1703TIP3   OH257416  -2.308   0.659   3.627
 1703TIP3    H157417  -2.330   0.710   3.547
 1703TIP3    H257418  -2.293   0.729   3.694
 1703TIP3   OH257419  -0.956   0.765   4.252
 1703TIP3    H157420  -1.021   0.757   4.324
 1703TIP3    H257421  -0.904   0.840   4.281
 1703TIP3   OH257422  -1.624  -0.530   4.177
 1703TIP3    H157423  -1.629  -0.627   4.183
 1703TIP3    H257424  -1.707  -0.505   4.222
 1703TIP3   OH257425  -1.134   1.000   3.961
 1703TIP3    H157426  -1.088   0.919   3.934
 1703TIP3    H257427  -1.067   1.068   3.941
 1704TIP3   OH257428  -0.987   0.781   3.821
 1704TIP3    H157429  -1.045   0.736   3.759
 1704TIP3    H257430  -0.993   0.721   3.898
 1704TIP3   OH257431  -1.410   0.357   3.642
 1704TIP3    H157432  -1.476   0.417   3.603
 1704TIP3    H257433  -1.338   0.361   3.577
 1704TIP3   OH257434  -1.381   0.179   3.343
 1704TIP3    H157435  -1.313   0.207   3.407
 1704TIP3    H257436  -1.330   0.117   3.289
 1704TIP3   OH257437  -1.060   0.356   3.750
 1704TIP3    H157438  -1.126   0.379   3.820
 1704TIP3    H257439  -0.999   0.300   3.801
 1704TIP3   OH257440  -1.896   0.438   3.924
 1704TIP3    H157441  -1.933   0.392   3.846
 1704TIP3    H257442  -1.840   0.370   3.964
 1704TIP3   OH257443  -1.798   0.756   4.155
 1704TIP3    H157444  -1.774   0.711   4.073
 1704TIP3    H257445  -1.718   0.746   4.209
 1704TIP3   OH257446  -1.880   0.323   4.270
 1704TIP3    H157447  -1.811   0.307   4.202
 1704TIP3    H257448  -1.827   0.343   4.348
 1704TIP3   OH257449  -1.163   0.303   3.494
 1704TIP3    H157450  -1.117   0.329   3.577
 1704TIP3    H257451  -1.113   0.354   3.427
 1704TIP3   OH257452  -1.418   0.961   3.852
 1704TIP3    H157453  -1.369   0.993   3.929
 1704TIP3    H257454  -1.468   1.039   3.825
 1704TIP3   OH257455  -0.814  -0.535   3.455
 1704TIP3    H157456  -0.907  -0.518   3.482
 1704TIP3    H257457  -0.781  -0.444   3.445
 1705TIP3   OH257458  -2.006   0.309   3.681
 1705TIP3    H157459  -2.029   0.384   3.623
 1705TIP3    H257460  -2.071   0.243   3.655
 1705TIP3   OH257461  -0.682   0.892   3.301
 1705TIP3    H157462  -0.661   0.986   3.316
 1705TIP3    H257463  -0.595   0.850   3.320
 1705TIP3   OH257464  -2.385   0.854   4.229
 1705TIP3    H157465  -2.290   0.846   4.246
 1705TIP3    H257466  -2.412   0.924   4.290
 1705TIP3   OH257467  -1.463   1.233   3.699
 1705TIP3    H157468  -1.462   1.246   3.602
 1705TIP3    H257469  -1.461   1.324   3.733
 1705TIP3   OH257470  -2.082   1.146   3.862
 1705TIP3    H157471  -2.068   1.100   3.947
 1705TIP3    H257472  -2.167   1.110   3.834
 1705TIP3   OH257473  -1.135   1.175   3.416
 1705TIP3    H157474  -1.076   1.110   3.375
 1705TIP3    H257475  -1.141   1.141   3.508
 1705TIP3   OH257476  -1.197   1.117   3.692
 1705TIP3    H157477  -1.291   1.132   3.713
 1705TIP3    H257478  -1.175   1.051   3.760
 1705TIP3   OH257479  -1.867  -0.440   4.290
 1705TIP3    H157480  -1.951  -0.451   4.242
 1705TIP3    H257481  -1.864  -0.345   4.308
 1705TIP3   OH257482  -1.010   0.410   3.293
 1705TIP3    H157483  -1.026   0.389   3.200
 1705TIP3    H257484  -0.915   0.434   3.290
 1705TIP3   OH257485  -1.445  -0.213   3.345
 1705TIP3    H157486  -1.494  -0.228   3.427
 1705TIP3    H257487  -1.485  -0.281   3.288
 1706TIP3   OH257488  -1.879   0.067   3.883
 1706TIP3    H157489  -1.975   0.056   3.868
 1706TIP3    H257490  -1.845   0.042   3.795
 1706TIP3   OH257491  -1.321   0.121   3.764
 1706TIP3    H157492  -1.362   0.203   3.728
 1706TIP3    H257493  -1.252   0.104   3.697
 1706TIP3   OH257494  -1.242   0.061   4.042
 1706TIP3    H157495  -1.269   0.116   3.966
 1706TIP3    H257496  -1.220  -0.022   3.996
 1706TIP3   OH257497  -1.803  -0.164   3.235
 1706TIP3    H157498  -1.836  -0.202   3.319
 1706TIP3    H257499  -1.883  -0.159   3.182
 1706TIP3   OH257500  -2.450  -0.173   3.941
 1706TIP3    H157501  -2.397  -0.184   4.022
 1706TIP3    H257502  -2.402  -0.222   3.874
 1706TIP3   OH257503  -2.298  -0.139   3.512
 1706TIP3    H157504  -2.243  -0.089   3.449
 1706TIP3    H257505  -2.367  -0.073   3.532
 1706TIP3   OH257506  -1.613  -0.170   3.984
 1706TIP3    H157507  -1.706  -0.184   4.009
 1706TIP3    H257508  -1.566  -0.201   4.064
 1706TIP3   OH257509  -2.146  -0.052   3.852
 1706TIP3    H157510  -2.230  -0.026   3.809
 1706TIP3    H257511  -2.120  -0.132   3.803
 1706TIP3   OH257512  -1.785  -0.022   3.621
 1706TIP3    H157513  -1.688  -0.014   3.627
 1706TIP3    H257514  -1.809   0.040   3.550
 1706TIP3   OH257515  -1.170  -0.311   4.282
 1706TIP3    H157516  -1.206  -0.276   4.365
 1706TIP3    H257517  -1.244  -0.304   4.220
 1707TIP3   OH257518  -1.940   0.106   3.399
 1707TIP3    H157519  -2.000   0.073   3.330
 1707TIP3    H257520  -1.859   0.122   3.349
 1707TIP3   OH257521  -1.516   0.065   4.192
 1707TIP3    H157522  -1.445   0.032   4.135
 1707TIP3    H257523  -1.513   0.001   4.264
 1707TIP3   OH257524  -1.972  -0.281   3.785
 1707TIP3    H157525  -2.028  -0.359   3.800
 1707TIP3    H257526  -1.892  -0.320   3.748
 1707TIP3   OH257527  -1.593   0.562   3.582
 1707TIP3    H157528  -1.669   0.511   3.547
 1707TIP3    H257529  -1.612   0.565   3.679
 1707TIP3   OH257530  -1.176  -0.153   3.357
 1707TIP3    H157531  -1.275  -0.157   3.356
 1707TIP3    H257532  -1.158  -0.083   3.423
 1707TIP3   OH257533  -1.109   0.028   3.563
 1707TIP3    H157534  -1.022   0.010   3.605
 1707TIP3    H257535  -1.096   0.116   3.523
 1707TIP3   OH257536  -2.092   0.474   4.175
 1707TIP3    H157537  -2.034   0.484   4.098
 1707TIP3    H257538  -2.044   0.404   4.223
 1707TIP3   OH257539  -1.354   0.698   3.472
 1707TIP3    H157540  -1.379   0.784   3.512
 1707TIP3    H257541  -1.428   0.643   3.502
 1707TIP3   OH257542  -0.649   0.025   3.539
 1707TIP3    H157543  -0.705   0.007   3.462
 1707TIP3    H257544  -0.637   0.122   3.526
 1707TIP3   OH257545  -0.836   0.891   3.546
 1707TIP3    H157546  -0.852   0.815   3.605
 1707TIP3    H257547  -0.774   0.855   3.481
 1708TIP3   OH257548  -1.115   0.436   4.248
 1708TIP3    H157549  -1.206   0.406   4.269
 1708TIP3    H257550  -1.079   0.359   4.200
 1708TIP3   OH257551  -1.839   0.827   3.868
 1708TIP3    H157552  -1.800   0.915   3.874
 1708TIP3    H257553  -1.934   0.848   3.866
 1708TIP3   OH257554  -2.243   0.310   3.350
 1708TIP3    H157555  -2.184   0.377   3.391
 1708TIP3    H257556  -2.329   0.335   3.386
 1708TIP3   OH257557  -1.658   0.599   3.860
 1708TIP3    H157558  -1.693   0.690   3.861
 1708TIP3    H257559  -1.734   0.549   3.892
 1708TIP3   OH257560  -1.796   1.121   3.811
 1708TIP3    H157561  -1.892   1.135   3.820
 1708TIP3    H257562  -1.762   1.209   3.838
 1708TIP3   OH257563  -1.086   0.729   3.336
 1708TIP3    H157564  -1.041   0.685   3.410
 1708TIP3    H257565  -1.178   0.715   3.364
 1708TIP3   OH257566  -0.596   1.165   3.364
 1708TIP3    H157567  -0.525   1.232   3.372
 1708TIP3    H257568  -0.672   1.217   3.394
 1708TIP3   OH257569  -0.987   0.589   3.572
 1708TIP3    H157570  -1.014   0.520   3.634
 1708TIP3    H257571  -0.891   0.591   3.583
 1708TIP3   OH257572  -1.660   0.831   3.189
 1708TIP3    H157573  -1.626   0.749   3.149
 1708TIP3    H257574  -1.701   0.797   3.270
 1708TIP3   OH257575  -1.773   0.787   3.462
 1708TIP3    H157576  -1.726   0.733   3.528
 1708TIP3    H257577  -1.761   0.877   3.497
 1709TIP3   OH257578  -2.091   0.531   3.503
 1709TIP3    H157579  -2.164   0.568   3.557
 1709TIP3    H257580  -2.044   0.613   3.479
 1709TIP3   OH257581  -1.256  -0.280   3.632
 1709TIP3    H157582  -1.241  -0.223   3.555
 1709TIP3    H257583  -1.216  -0.229   3.704
 1709TIP3   OH257584  -1.482   0.946   3.526
 1709TIP3    H157585  -1.562   0.997   3.548
 1709TIP3    H257586  -1.442   1.000   3.457
 1709TIP3   OH257587  -1.520  -0.077   3.727
 1709TIP3    H157588  -1.443  -0.020   3.744
 1709TIP3    H257589  -1.550  -0.098   3.817
 1709TIP3   OH257590  -1.466  -0.377   3.817
 1709TIP3    H157591  -1.475  -0.317   3.892
 1709TIP3    H257592  -1.387  -0.340   3.773
 1709TIP3   OH257593  -1.760   1.057   3.527
 1709TIP3    H157594  -1.766   1.139   3.474
 1709TIP3    H257595  -1.775   1.089   3.618
 1709TIP3   OH257596  -1.887  -0.276   3.473
 1709TIP3    H157597  -1.886  -0.202   3.536
 1709TIP3    H257598  -1.807  -0.325   3.501
 1709TIP3   OH257599  -1.011   0.202   4.135
 1709TIP3    H157600  -1.090   0.152   4.108
 1709TIP3    H257601  -0.954   0.130   4.172
 1709TIP3   OH257602  -2.047   0.813   3.377
 1709TIP3    H157603  -1.975   0.862   3.420
 1709TIP3    H257604  -1.995   0.759   3.315
 1709TIP3   OH257605  -2.230   0.031   3.290
 1709TIP3    H157606  -2.222   0.125   3.316
 1709TIP3    H257607  -2.319   0.028   3.254
 1710TIP3   OH257608  -0.881   1.179   4.318
 1710TIP3    H157609  -0.908   1.224   4.236
 1710TIP3    H257610  -0.794   1.145   4.290
 1710TIP3   OH257611  -2.144  -0.471   4.172
 1710TIP3    H157612  -2.159  -0.467   4.075
 1710TIP3    H257613  -2.179  -0.557   4.196
 1710TIP3   OH257614  -2.254   0.879   3.797
 1710TIP3    H157615  -2.329   0.933   3.826
 1710TIP3    H257616  -2.215   0.936   3.729
 1710TIP3   OH257617  -1.438   1.007   3.239
 1710TIP3    H157618  -1.513   0.944   3.236
 1710TIP3    H257619  -1.366   0.949   3.208
 1710TIP3   OH257620  -0.975   0.994   3.251
 1710TIP3    H157621  -0.959   0.917   3.308
 1710TIP3    H257622  -0.893   0.999   3.201
 1710TIP3   OH257623  -1.893   0.578   3.227
 1710TIP3    H157624  -1.880   0.520   3.303
 1710TIP3    H257625  -1.806   0.571   3.184
 1710TIP3   OH257626  -1.372   0.712   3.188
 1710TIP3    H157627  -1.373   0.706   3.286
 1710TIP3    H257628  -1.378   0.617   3.166
 1710TIP3   OH257629  -1.786   0.387   3.461
 1710TIP3    H157630  -1.848   0.337   3.516
 1710TIP3    H257631  -1.756   0.318   3.398
 1710TIP3   OH257632  -1.690   0.189   3.288
 1710TIP3    H157633  -1.695   0.192   3.191
 1710TIP3    H257634  -1.593   0.184   3.303
 1710TIP3   OH257635  -0.741   0.439   3.221
 1710TIP3    H157636  -0.746   0.396   3.134
 1710TIP3    H257637  -0.747   0.534   3.196
 1711TIP3   OH257638  -1.713   1.309   3.395
 1711TIP3    H157639  -1.618   1.323   3.409
 1711TIP3    H257640  -1.727   1.359   3.314
 1711TIP3   OH257641  -2.323   0.752   3.350
 1711TIP3    H157642  -2.228   0.770   3.364
 1711TIP3    H257643  -2.320   0.673   3.292
 1711TIP3   OH257644  -2.418   1.266   3.822
 1711TIP3    H157645  -2.494   1.233   3.770
 1711TIP3    H257646  -2.414   1.200   3.894
 1711TIP3   OH257647  -2.382   1.070   4.021
 1711TIP3    H157648  -2.414   0.982   4.049
 1711TIP3    H257649  -2.349   1.101   4.107
 1711TIP3   OH257650  -0.619   1.162   4.283
 1711TIP3    H157651  -0.661   1.215   4.352
 1711TIP3    H257652  -0.549   1.223   4.256
 1711TIP3   OH257653  -0.701   0.577   3.613
 1711TIP3    H157654  -0.610   0.610   3.629
 1711TIP3    H257655  -0.709   0.514   3.686
 1711TIP3   OH257656  -0.644   0.365   3.816
 1711TIP3    H157657  -0.720   0.316   3.855
 1711TIP3    H257658  -0.590   0.386   3.894
 1711TIP3   OH257659  -0.688   0.602   4.329
 1711TIP3    H157660  -0.621   0.557   4.277
 1711TIP3    H257661  -0.690   0.691   4.291
 1711TIP3   OH257662  -0.631   0.316   3.470
 1711TIP3    H157663  -0.680   0.345   3.391
 1711TIP3    H257664  -0.640   0.393   3.528
 1711TIP3   OH257665  -0.805   0.075   3.294
 1711TIP3    H157666  -0.774   0.132   3.222
 1711TIP3    H257667  -0.827  -0.008   3.248
 1712TIP3   OH257668  -0.863   0.188   3.892
 1712TIP3    H157669  -0.867   0.092   3.878
 1712TIP3    H257670  -0.899   0.197   3.983
 1712TIP3   OH257671  -2.376   0.367   4.260
 1712TIP3    H157672  -2.339   0.401   4.177
 1712TIP3    H257673  -2.299   0.370   4.319
 1712TIP3   OH257674  -0.855  -0.191   3.216
 1712TIP3    H157675  -0.797  -0.243   3.275
 1712TIP3    H257676  -0.935  -0.245   3.208
 1712TIP3   OH257677  -0.874  -0.064   3.709
 1712TIP3    H157678  -0.850  -0.159   3.716
 1712TIP3    H257679  -0.793  -0.028   3.669
 1712TIP3   OH257680  -0.850   0.010   4.224
 1712TIP3    H157681  -0.755   0.000   4.240
 1712TIP3    H257682  -0.890  -0.026   4.305
 1712TIP3   OH257683  -0.826  -0.347   3.707
 1712TIP3    H157684  -0.823  -0.374   3.801
 1712TIP3    H257685  -0.907  -0.392   3.677
 1712TIP3   OH257686  -2.300  -0.211   4.191
 1712TIP3    H157687  -2.274  -0.304   4.203
 1712TIP3    H257688  -2.246  -0.169   4.258
 1712TIP3   OH257689  -2.461   0.073   4.303
 1712TIP3    H157690  -2.419   0.037   4.223
 1712TIP3    H257691  -2.435   0.167   4.297
 1712TIP3   OH257692  -0.631  -0.298   3.375
 1712TIP3    H157693  -0.598  -0.377   3.330
 1712TIP3    H257694  -0.549  -0.245   3.384
 1712TIP3   OH257695  -2.405  -0.325   3.692
 1712TIP3    H157696  -2.500  -0.318   3.673
 1712TIP3    H257697  -2.365  -0.263   3.628
 1713TIP3   OH257698  -0.946   1.194   3.870
 1713TIP3    H157699  -0.869   1.157   3.824
 1713TIP3    H257700  -0.905   1.245   3.943
 1713TIP3   OH257701  -2.245   1.114   4.260
 1713TIP3    H157702  -2.211   1.112   4.352
 1713TIP3    H257703  -2.162   1.091   4.213
 1713TIP3   OH257704  -2.020   1.020   4.117
 1713TIP3    H157705  -2.031   0.926   4.143
 1713TIP3    H257706  -1.928   1.037   4.147
 1713TIP3   OH257707  -1.751   1.068   4.213
 1713TIP3    H157708  -1.720   0.980   4.184
 1713TIP3    H257709  -1.739   1.060   4.308
 1713TIP3   OH257710  -1.415  -0.332   4.125
 1713TIP3    H157711  -1.474  -0.405   4.153
 1713TIP3    H257712  -1.346  -0.381   4.076
 1713TIP3   OH257713  -0.919  -0.457   4.128
 1713TIP3    H157714  -0.841  -0.510   4.150
 1713TIP3    H257715  -0.990  -0.521   4.140
 1713TIP3   OH257716  -0.692  -0.433   3.953
 1713TIP3    H157717  -0.618  -0.449   3.894
 1713TIP3    H257718  -0.679  -0.340   3.978
 1713TIP3   OH257719  -2.176  -0.470   3.888
 1713TIP3    H157720  -2.262  -0.484   3.843
 1713TIP3    H257721  -2.133  -0.556   3.874
 1713TIP3   OH257722  -2.295  -0.521   3.477
 1713TIP3    H157723  -2.244  -0.455   3.426
 1713TIP3    H257724  -2.335  -0.467   3.547
 1713TIP3   OH257725  -1.726  -0.493   3.890
 1713TIP3    H157726  -1.637  -0.459   3.872
 1713TIP3    H257727  -1.723  -0.503   3.987
 1714TIP3   OH257728  -1.200  -0.478   3.997
 1714TIP3    H157729  -1.145  -0.503   3.922
 1714TIP3    H257730  -1.214  -0.563   4.042
 1714TIP3   OH257731  -1.058  -0.484   3.614
 1714TIP3    H157732  -1.138  -0.430   3.605
 1714TIP3    H257733  -1.097  -0.572   3.628
 1714TIP3   OH257734  -2.275   1.075   3.591
 1714TIP3    H157735  -2.341   1.064   3.521
 1714TIP3    H257736  -2.278   1.170   3.604
 1714TIP3   OH257737  -2.123  -0.338   3.320
 1714TIP3    H157738  -2.063  -0.396   3.270
 1714TIP3    H257739  -2.063  -0.306   3.391
 1714TIP3   OH257740  -1.614  -0.320   3.583
 1714TIP3    H157741  -1.577  -0.376   3.653
 1714TIP3    H257742  -1.596  -0.233   3.620
 1714TIP3   OH257743  -1.410   1.259   3.404
 1714TIP3    H157744  -1.312   1.259   3.402
 1714TIP3    H257745  -1.429   1.192   3.337
 1714TIP3   OH257746  -0.730   1.158   3.654
 1714TIP3    H157747  -0.767   1.077   3.613
 1714TIP3    H257748  -0.766   1.228   3.598
 1714TIP3   OH257749  -2.134   1.168   3.271
 1714TIP3    H157750  -2.160   1.198   3.359
 1714TIP3    H257751  -2.055   1.114   3.291
 1714TIP3   OH257752   0.636   0.430   3.859
 1714TIP3    H157753   0.628   0.525   3.882
 1714TIP3    H257754   0.545   0.407   3.836
 1714TIP3   OH257755   0.553   0.321   4.303
 1714TIP3    H157756   0.520   0.264   4.375
 1714TIP3    H257757   0.565   0.256   4.233
 1715TIP3   OH257758   0.865   0.618   4.035
 1715TIP3    H157759   0.823   0.552   4.092
 1715TIP3    H257760   0.909   0.672   4.104
 1715TIP3   OH257761  -0.183   0.746   4.252
 1715TIP3    H157762  -0.216   0.670   4.204
 1715TIP3    H257763  -0.087   0.736   4.239
 1715TIP3   OH257764  -0.493   0.121   3.784
 1715TIP3    H157765  -0.541   0.206   3.781
 1715TIP3    H257766  -0.557   0.061   3.745
 1715TIP3   OH257767  -0.386   0.363   3.999
 1715TIP3    H157768  -0.386   0.270   4.026
 1715TIP3    H257769  -0.331   0.360   3.919
 1715TIP3   OH257770   0.562   1.160   4.114
 1715TIP3    H157771   0.624   1.092   4.081
 1715TIP3    H257772   0.537   1.125   4.200
 1715TIP3   OH257773   0.303   0.545   4.269
 1715TIP3    H157774   0.367   0.520   4.202
 1715TIP3    H257775   0.366   0.589   4.331
 1715TIP3   OH257776   0.640   0.026   4.326
 1715TIP3    H157777   0.692  -0.054   4.341
 1715TIP3    H257778   0.658   0.044   4.232
 1715TIP3   OH257779  -0.040  -0.168   4.044
 1715TIP3    H157780  -0.015  -0.085   3.999
 1715TIP3    H257781  -0.068  -0.221   3.966
 1715TIP3   OH257782   0.754  -0.145   3.867
 1715TIP3    H157783   0.807  -0.185   3.940
 1715TIP3    H257784   0.825  -0.105   3.815
 1715TIP3   OH257785  -0.333   0.097   4.099
 1715TIP3    H157786  -0.299   0.026   4.154
 1715TIP3    H257787  -0.334   0.054   4.011
 1716TIP3   OH257788   0.592   0.711   3.798
 1716TIP3    H157789   0.580   0.683   3.707
 1716TIP3    H257790   0.546   0.797   3.802
 1716TIP3   OH257791   0.926  -0.205   4.068
 1716TIP3    H157792   0.926  -0.296   4.106
 1716TIP3    H257793   0.982  -0.161   4.134
 1716TIP3   OH257794  -0.113  -0.082   4.298
 1716TIP3    H157795  -0.138   0.009   4.280
 1716TIP3    H257796  -0.113  -0.124   4.209
 1716TIP3   OH257797  -0.427   0.659   3.627
 1716TIP3    H157798  -0.442   0.708   3.544
 1716TIP3    H257799  -0.408   0.730   3.692
 1716TIP3   OH257800   0.945   0.746   4.264
 1716TIP3    H157801   0.893   0.721   4.343
 1716TIP3    H257802   1.020   0.791   4.305
 1716TIP3   OH257803   0.260  -0.530   4.176
 1716TIP3    H157804   0.260  -0.627   4.182
 1716TIP3    H257805   0.177  -0.507   4.223
 1716TIP3   OH257806   0.751   1.001   3.961
 1716TIP3    H157807   0.797   0.920   3.931
 1716TIP3    H257808   0.820   1.068   3.945
 1716TIP3   OH257809   0.895   0.787   3.822
 1716TIP3    H157810   0.848   0.739   3.752
 1716TIP3    H257811   0.892   0.721   3.894
 1716TIP3   OH257812   0.460   0.353   3.632
 1716TIP3    H157813   0.404   0.413   3.580
 1716TIP3    H257814   0.544   0.358   3.583
 1716TIP3   OH257815   0.503   0.174   3.347
 1716TIP3    H157816   0.572   0.207   3.408
 1716TIP3    H257817   0.556   0.119   3.288
 1717TIP3   OH257818   0.859   0.348   3.733
 1717TIP3    H157819   0.786   0.382   3.790
 1717TIP3    H257820   0.906   0.289   3.795
 1717TIP3   OH257821   0.080   0.722   4.163
 1717TIP3    H157822   0.111   0.723   4.071
 1717TIP3    H257823   0.157   0.759   4.211
 1717TIP3   OH257824   0.720   0.306   3.497
 1717TIP3    H157825   0.777   0.326   3.574
 1717TIP3    H257826   0.770   0.353   3.425
 1717TIP3   OH257827   0.458   0.961   3.855
 1717TIP3    H157828   0.518   0.991   3.924
 1717TIP3    H257829   0.420   1.043   3.822
 1717TIP3   OH257830   1.066  -0.524   3.443
 1717TIP3    H157831   0.979  -0.515   3.486
 1717TIP3    H257832   1.102  -0.434   3.449
 1717TIP3   OH257833  -0.121   0.328   3.714
 1717TIP3    H157834  -0.132   0.398   3.648
 1717TIP3    H257835  -0.166   0.254   3.673
 1717TIP3   OH257836   1.204   0.889   3.298
 1717TIP3    H157837   1.220   0.982   3.322
 1717TIP3    H257838   1.291   0.848   3.317
 1717TIP3   OH257839  -0.501   0.857   4.239
 1717TIP3    H157840  -0.406   0.858   4.254
 1717TIP3    H257841  -0.532   0.940   4.280
 1717TIP3   OH257842   0.424   1.231   3.699
 1717TIP3    H157843   0.424   1.242   3.602
 1717TIP3    H257844   0.425   1.323   3.730
 1717TIP3   OH257845  -0.198   1.138   3.858
 1717TIP3    H157846  -0.182   1.103   3.948
 1717TIP3    H257847  -0.286   1.103   3.840
 1718TIP3   OH257848   0.755   1.177   3.419
 1718TIP3    H157849   0.811   1.111   3.373
 1718TIP3    H257850   0.748   1.137   3.508
 1718TIP3   OH257851   0.692   1.117   3.697
 1718TIP3    H157852   0.597   1.134   3.712
 1718TIP3    H257853   0.709   1.046   3.761
 1718TIP3   OH257854   0.018  -0.438   4.292
 1718TIP3    H157855  -0.065  -0.451   4.242
 1718TIP3    H257856   0.019  -0.343   4.308
 1718TIP3   OH257857   0.877   0.409   3.296
 1718TIP3    H157858   0.857   0.392   3.201
 1718TIP3    H257859   0.971   0.433   3.290
 1718TIP3   OH257860   0.439  -0.212   3.345
 1718TIP3    H157861   0.393  -0.229   3.428
 1718TIP3    H257862   0.401  -0.282   3.288
 1718TIP3   OH257863   0.015   0.077   3.905
 1718TIP3    H157864  -0.077   0.077   3.877
 1718TIP3    H257865   0.060   0.062   3.820
 1718TIP3   OH257866   0.565   0.125   3.766
 1718TIP3    H157867   0.521   0.201   3.722
 1718TIP3    H257868   0.635   0.104   3.701
 1718TIP3   OH257869   0.642   0.067   4.041
 1718TIP3    H157870   0.616   0.112   3.957
 1718TIP3    H257871   0.665  -0.021   4.003
 1718TIP3   OH257872   0.083  -0.161   3.238
 1718TIP3    H157873   0.047  -0.204   3.318
 1718TIP3    H257874   0.006  -0.157   3.180
 1718TIP3   OH257875  -0.561  -0.169   3.941
 1718TIP3    H157876  -0.510  -0.185   4.022
 1718TIP3    H257877  -0.515  -0.221   3.874
 1719TIP3   OH257878  -0.413  -0.139   3.514
 1719TIP3    H157879  -0.357  -0.091   3.449
 1719TIP3    H257880  -0.482  -0.073   3.531
 1719TIP3   OH257881   0.275  -0.169   3.987
 1719TIP3    H157882   0.183  -0.186   4.011
 1719TIP3    H257883   0.324  -0.207   4.062
 1719TIP3   OH257884  -0.257  -0.046   3.854
 1719TIP3    H157885  -0.340  -0.024   3.808
 1719TIP3    H257886  -0.224  -0.124   3.805
 1719TIP3   OH257887   0.098  -0.012   3.630
 1719TIP3    H157888   0.196  -0.016   3.631
 1719TIP3    H257889   0.078   0.037   3.548
 1719TIP3   OH257890   0.715  -0.303   4.282
 1719TIP3    H157891   0.673  -0.281   4.366
 1719TIP3    H257892   0.641  -0.303   4.219
 1719TIP3   OH257893  -0.053   0.105   3.401
 1719TIP3    H157894  -0.112   0.074   3.331
 1719TIP3    H257895   0.028   0.125   3.350
 1719TIP3   OH257896   0.352   0.085   4.192
 1719TIP3    H157897   0.406   0.060   4.116
 1719TIP3    H257898   0.368   0.010   4.252
 1719TIP3   OH257899  -0.090  -0.282   3.789
 1719TIP3    H157900  -0.140  -0.363   3.800
 1719TIP3    H257901  -0.009  -0.313   3.746
 1719TIP3   OH257902   0.281   0.571   3.584
 1719TIP3    H157903   0.213   0.513   3.543
 1719TIP3    H257904   0.278   0.545   3.677
 1719TIP3   OH257905   0.709  -0.157   3.362
 1719TIP3    H157906   0.611  -0.156   3.356
 1719TIP3    H257907   0.729  -0.082   3.421
 1720TIP3   OH257908   0.776   0.029   3.566
 1720TIP3    H157909   0.864   0.011   3.605
 1720TIP3    H257910   0.790   0.115   3.524
 1720TIP3   OH257911   0.535   0.698   3.475
 1720TIP3    H157912   0.509   0.786   3.510
 1720TIP3    H257913   0.458   0.645   3.500
 1720TIP3   OH257914   1.235   0.025   3.539
 1720TIP3    H157915   1.180   0.007   3.461
 1720TIP3    H257916   1.249   0.122   3.526
 1720TIP3   OH257917   1.054   0.887   3.547
 1720TIP3    H157918   1.036   0.810   3.603
 1720TIP3    H257919   1.112   0.851   3.478
 1720TIP3   OH257920   0.779   0.451   4.236
 1720TIP3    H157921   0.699   0.413   4.278
 1720TIP3    H257922   0.820   0.372   4.196
 1720TIP3   OH257923   0.043   0.830   3.886
 1720TIP3    H157924   0.090   0.914   3.871
 1720TIP3    H257925  -0.046   0.854   3.861
 1720TIP3   OH257926  -0.356   0.310   3.350
 1720TIP3    H157927  -0.296   0.374   3.392
 1720TIP3    H257928  -0.442   0.339   3.384
 1720TIP3   OH257929   0.193   0.575   3.905
 1720TIP3    H157930   0.197   0.666   3.872
 1720TIP3    H257931   0.110   0.544   3.869
 1720TIP3   OH257932   0.089   1.118   3.816
 1720TIP3    H157933  -0.006   1.136   3.817
 1720TIP3    H257934   0.125   1.206   3.839
 1720TIP3   OH257935   0.802   0.730   3.336
 1720TIP3    H157936   0.845   0.685   3.411
 1720TIP3    H257937   0.710   0.715   3.362
 1721TIP3   OH257938   1.276   1.156   3.390
 1721TIP3    H157939   1.346   1.220   3.369
 1721TIP3    H257940   1.199   1.216   3.389
 1721TIP3   OH257941   0.899   0.593   3.578
 1721TIP3    H157942   0.878   0.515   3.631
 1721TIP3    H257943   0.997   0.591   3.581
 1721TIP3   OH257944   0.225   0.836   3.193
 1721TIP3    H157945   0.257   0.758   3.143
 1721TIP3    H257946   0.185   0.794   3.270
 1721TIP3   OH257947   0.107   0.788   3.471
 1721TIP3    H157948   0.167   0.736   3.527
 1721TIP3    H257949   0.128   0.880   3.497
 1721TIP3   OH257950  -0.203   0.529   3.507
 1721TIP3    H157951  -0.277   0.568   3.557
 1721TIP3    H257952  -0.159   0.609   3.474
 1721TIP3   OH257953   0.622  -0.276   3.632
 1721TIP3    H157954   0.646  -0.226   3.553
 1721TIP3    H257955   0.671  -0.229   3.702
 1721TIP3   OH257956   0.405   0.948   3.530
 1721TIP3    H157957   0.324   1.001   3.543
 1721TIP3    H257958   0.444   0.993   3.453
 1721TIP3   OH257959   0.362  -0.077   3.725
 1721TIP3    H157960   0.442  -0.023   3.739
 1721TIP3    H257961   0.336  -0.098   3.816
 1721TIP3   OH257962   0.420  -0.377   3.816
 1721TIP3    H157963   0.413  -0.318   3.892
 1721TIP3    H257964   0.499  -0.341   3.772
 1721TIP3   OH257965   0.131   1.063   3.525
 1721TIP3    H157966   0.120   1.141   3.467
 1721TIP3    H257967   0.116   1.100   3.614
 1722TIP3   OH257968  -0.003  -0.277   3.477
 1722TIP3    H157969  -0.000  -0.200   3.536
 1722TIP3    H257970   0.079  -0.324   3.502
 1722TIP3   OH257971   0.870   0.202   4.143
 1722TIP3    H157972   0.798   0.149   4.104
 1722TIP3    H257973   0.931   0.131   4.174
 1722TIP3   OH257974  -0.164   0.807   3.382
 1722TIP3    H157975  -0.092   0.860   3.420
 1722TIP3    H257976  -0.114   0.760   3.313
 1722TIP3   OH257977  -0.349   0.030   3.295
 1722TIP3    H157978  -0.335   0.124   3.315
 1722TIP3    H257979  -0.435   0.031   3.253
 1722TIP3   OH257980   1.163   1.413   4.376
 1722TIP3    H157981   1.138   1.483   4.314
 1722TIP3    H257982   1.120   1.338   4.329
 1722TIP3   OH257983  -0.260  -0.469   4.172
 1722TIP3    H157984  -0.273  -0.469   4.075
 1722TIP3    H257985  -0.293  -0.557   4.198
 1722TIP3   OH257986  -0.368   0.878   3.796
 1722TIP3    H157987  -0.442   0.933   3.825
 1722TIP3    H257988  -0.327   0.934   3.729
 1722TIP3   OH257989   0.449   1.002   3.252
 1722TIP3    H157990   0.374   0.943   3.231
 1722TIP3    H257991   0.518   0.962   3.197
 1722TIP3   OH257992   0.912   0.996   3.256
 1722TIP3    H157993   0.927   0.915   3.306
 1722TIP3    H257994   0.990   0.999   3.198
 1722TIP3   OH257995  -0.010   0.578   3.228
 1722TIP3    H157996   0.008   0.517   3.301
 1722TIP3    H257997   0.076   0.576   3.181
 1723TIP3   OH257998   0.511   0.709   3.188
 1723TIP3    H157999   0.512   0.708   3.285
 1723TIP3    H258000   0.510   0.613   3.169
 1723TIP3   OH258001   0.102   0.384   3.469
 1723TIP3    H158002   0.043   0.328   3.520
 1723TIP3    H258003   0.132   0.322   3.400
 1723TIP3   OH258004   0.195   0.192   3.289
 1723TIP3    H158005   0.191   0.195   3.191
 1723TIP3    H258006   0.291   0.184   3.304
 1723TIP3   OH258007   1.146   0.439   3.220
 1723TIP3    H158008   1.137   0.397   3.133
 1723TIP3    H258009   1.136   0.534   3.195
 1723TIP3   OH258010   0.174   1.336   3.363
 1723TIP3    H158011   0.268   1.331   3.386
 1723TIP3    H258012   0.182   1.379   3.275
 1723TIP3   OH258013  -0.438   0.750   3.351
 1723TIP3    H158014  -0.343   0.771   3.364
 1723TIP3    H258015  -0.433   0.673   3.291
 1723TIP3   OH258016  -0.579   1.311   3.867
 1723TIP3    H158017  -0.626   1.266   3.795
 1723TIP3    H258018  -0.557   1.237   3.927
 1723TIP3   OH258019  -0.491   1.074   4.016
 1723TIP3    H158020  -0.525   0.990   4.050
 1723TIP3    H258021  -0.458   1.114   4.099
 1723TIP3   OH258022   1.262   1.170   4.272
 1723TIP3    H158023   1.252   1.172   4.368
 1723TIP3    H258024   1.351   1.207   4.263
 1723TIP3   OH258025   1.184   0.578   3.614
 1723TIP3    H158026   1.276   0.609   3.629
 1723TIP3    H258027   1.176   0.513   3.686
 1724TIP3   OH258028   1.234   0.373   3.812
 1724TIP3    H158029   1.166   0.317   3.854
 1724TIP3    H258030   1.302   0.381   3.882
 1724TIP3   OH258031   1.209   0.602   4.329
 1724TIP3    H158032   1.271   0.550   4.277
 1724TIP3    H258033   1.218   0.690   4.291
 1724TIP3   OH258034   1.256   0.316   3.469
 1724TIP3    H158035   1.206   0.346   3.391
 1724TIP3    H258036   1.245   0.391   3.529
 1724TIP3   OH258037   1.082   0.074   3.295
 1724TIP3    H158038   1.110   0.132   3.223
 1724TIP3    H258039   1.060  -0.009   3.248
 1724TIP3   OH258040   1.025   0.181   3.896
 1724TIP3    H158041   1.020   0.085   3.882
 1724TIP3    H258042   0.990   0.191   3.986
 1724TIP3   OH258043  -0.489   0.384   4.262
 1724TIP3    H158044  -0.450   0.396   4.174
 1724TIP3    H258045  -0.413   0.368   4.320
 1724TIP3   OH258046   1.031  -0.192   3.216
 1724TIP3    H158047   1.090  -0.242   3.275
 1724TIP3    H258048   0.951  -0.247   3.210
 1724TIP3   OH258049   1.010  -0.065   3.710
 1724TIP3    H158050   1.036  -0.159   3.716
 1724TIP3    H258051   1.091  -0.028   3.670
 1724TIP3   OH258052   1.036   0.011   4.222
 1724TIP3    H158053   1.131  -0.002   4.235
 1724TIP3    H258054   0.999  -0.027   4.304
 1724TIP3   OH258055   1.059  -0.343   3.707
 1724TIP3    H158056   1.072  -0.376   3.797
 1724TIP3    H258057   0.979  -0.393   3.680
 1725TIP3   OH258058  -0.415  -0.212   4.192
 1725TIP3    H158059  -0.389  -0.305   4.203
 1725TIP3    H258060  -0.358  -0.171   4.259
 1725TIP3   OH258061  -0.576   0.072   4.303
 1725TIP3    H158062  -0.535   0.035   4.223
 1725TIP3    H258063  -0.549   0.165   4.298
 1725TIP3   OH258064   1.255  -0.295   3.373
 1725TIP3    H158065   1.288  -0.376   3.329
 1725TIP3    H258066   1.336  -0.244   3.385
 1725TIP3   OH258067  -0.522  -0.328   3.696
 1725TIP3    H158068  -0.616  -0.318   3.672
 1725TIP3    H258069  -0.478  -0.268   3.633
 1725TIP3   OH258070   0.940   1.207   3.899
 1725TIP3    H158071   0.993   1.180   3.821
 1725TIP3    H258072   1.008   1.233   3.962
 1725TIP3   OH258073  -0.342   1.132   4.252
 1725TIP3    H158074  -0.330   1.097   4.340
 1725TIP3    H258075  -0.257   1.110   4.208
 1725TIP3   OH258076  -0.132   1.014   4.121
 1725TIP3    H158077  -0.138   0.920   4.143
 1725TIP3    H258078  -0.040   1.037   4.147
 1725TIP3   OH258079   0.129   1.066   4.214
 1725TIP3    H158080   0.177   0.987   4.187
 1725TIP3    H258081   0.145   1.068   4.309
 1725TIP3   OH258082   0.469  -0.333   4.123
 1725TIP3    H158083   0.412  -0.407   4.153
 1725TIP3    H258084   0.540  -0.381   4.076
 1725TIP3   OH258085   0.964  -0.457   4.147
 1725TIP3    H158086   1.049  -0.500   4.131
 1725TIP3    H258087   0.899  -0.524   4.126
 1726TIP3   OH258088   1.183  -0.430   3.954
 1726TIP3    H158089   1.258  -0.468   3.906
 1726TIP3    H258090   1.213  -0.338   3.971
 1726TIP3   OH258091  -0.287  -0.486   3.889
 1726TIP3    H158092  -0.368  -0.495   3.836
 1726TIP3    H258093  -0.243  -0.569   3.870
 1726TIP3   OH258094  -0.397  -0.525   3.479
 1726TIP3    H158095  -0.348  -0.456   3.430
 1726TIP3    H258096  -0.440  -0.472   3.549
 1726TIP3   OH258097   0.157  -0.493   3.894
 1726TIP3    H158098   0.245  -0.460   3.869
 1726TIP3    H258099   0.169  -0.506   3.989
 1726TIP3   OH258100   0.687  -0.478   3.997
 1726TIP3    H158101   0.743  -0.501   3.922
 1726TIP3    H258102   0.674  -0.563   4.041
 1726TIP3   OH258103   0.826  -0.483   3.618
 1726TIP3    H158104   0.744  -0.434   3.601
 1726TIP3    H258105   0.791  -0.574   3.629
 1726TIP3   OH258106  -0.398   1.075   3.589
 1726TIP3    H158107  -0.462   1.064   3.517
 1726TIP3    H258108  -0.395   1.172   3.595
 1726TIP3   OH258109  -0.237  -0.340   3.321
 1726TIP3    H158110  -0.176  -0.394   3.267
 1726TIP3    H258111  -0.177  -0.306   3.390
 1726TIP3   OH258112   0.267  -0.319   3.586
 1726TIP3    H158113   0.310  -0.377   3.652
 1726TIP3    H258114   0.294  -0.233   3.621
 1726TIP3   OH258115   0.475   1.254   3.410
 1726TIP3    H158116   0.572   1.258   3.401
 1726TIP3    H258117   0.454   1.196   3.335
 1727TIP3   OH258118   1.126   1.161   3.664
 1727TIP3    H158119   1.103   1.076   3.620
 1727TIP3    H258120   1.125   1.221   3.588
 1727TIP3   OH258121  -0.252   1.162   3.274
 1727TIP3    H158122  -0.264   1.195   3.364
 1727TIP3    H258123  -0.167   1.114   3.281
 1727TIP3   OH258124   2.491   0.404   3.918
 1727TIP3    H158125   2.494   0.501   3.929
 1727TIP3    H258126   2.414   0.393   3.862
 1727TIP3   OH258127   2.393   0.340   4.246
 1727TIP3    H158128   2.380   0.266   4.307
 1727TIP3    H258129   2.371   0.300   4.161
 1727TIP3   OH258130   2.747   0.617   4.043
 1727TIP3    H158131   2.707   0.552   4.103
 1727TIP3    H258132   2.780   0.680   4.112
 1727TIP3   OH258133   1.695   0.760   4.250
 1727TIP3    H158134   1.674   0.670   4.220
 1727TIP3    H258135   1.793   0.750   4.254
 1727TIP3   OH258136   1.393   0.111   3.778
 1727TIP3    H158137   1.355   0.200   3.787
 1727TIP3    H258138   1.321   0.062   3.737
 1727TIP3   OH258139   1.469   0.348   3.975
 1727TIP3    H158140   1.493   0.269   4.028
 1727TIP3    H258141   1.553   0.368   3.932
 1727TIP3   OH258142   2.423   1.117   4.115
 1727TIP3    H158143   2.515   1.116   4.084
 1727TIP3    H258144   2.434   1.128   4.210
 1727TIP3   OH258145   2.192   0.570   4.284
 1727TIP3    H158146   2.232   0.507   4.222
 1727TIP3    H258147   2.273   0.608   4.322
 1728TIP3   OH258148   2.539   0.044   4.322
 1728TIP3    H158149   2.582  -0.041   4.339
 1728TIP3    H258150   2.545   0.052   4.225
 1728TIP3   OH258151   1.849  -0.168   4.043
 1728TIP3    H158152   1.868  -0.083   3.998
 1728TIP3    H258153   1.818  -0.220   3.967
 1728TIP3   OH258154   2.639  -0.147   3.866
 1728TIP3    H158155   2.692  -0.187   3.939
 1728TIP3    H258156   2.710  -0.104   3.816
 1728TIP3   OH258157   1.543   0.095   4.102
 1728TIP3    H158158   1.597   0.034   4.153
 1728TIP3    H258159   1.549   0.054   4.013
 1728TIP3   OH258160   2.061   0.239   4.066
 1728TIP3    H158161   2.130   0.174   4.085
 1728TIP3    H258162   2.010   0.194   3.995
 1728TIP3   OH258163   2.498   0.702   3.778
 1728TIP3    H158164   2.429   0.655   3.729
 1728TIP3    H258165   2.447   0.779   3.810
 1728TIP3   OH258166   2.814  -0.207   4.067
 1728TIP3    H158167   2.812  -0.297   4.107
 1728TIP3    H258168   2.866  -0.161   4.136
 1728TIP3   OH258169   1.772  -0.077   4.297
 1728TIP3    H158170   1.765   0.016   4.275
 1728TIP3    H258171   1.774  -0.120   4.209
 1728TIP3   OH258172   1.459   0.660   3.628
 1728TIP3    H158173   1.443   0.710   3.546
 1728TIP3    H258174   1.478   0.729   3.694
 1728TIP3   OH258175   2.821   0.757   4.257
 1728TIP3    H158176   2.749   0.750   4.324
 1728TIP3    H258177   2.857   0.843   4.278
 1729TIP3   OH258178   2.147  -0.530   4.178
 1729TIP3    H158179   2.143  -0.627   4.182
 1729TIP3    H258180   2.063  -0.505   4.223
 1729TIP3   OH258181   2.653   0.992   3.978
 1729TIP3    H158182   2.691   0.918   3.927
 1729TIP3    H258183   2.695   1.070   3.939
 1729TIP3   OH258184   2.791   0.774   3.813
 1729TIP3    H158185   2.716   0.739   3.762
 1729TIP3    H258186   2.782   0.721   3.894
 1729TIP3   OH258187   2.349   0.351   3.626
 1729TIP3    H158188   2.279   0.420   3.621
 1729TIP3    H258189   2.411   0.380   3.558
 1729TIP3   OH258190   2.390   0.177   3.342
 1729TIP3    H158191   2.454   0.206   3.409
 1729TIP3    H258192   2.445   0.117   3.289
 1729TIP3   OH258193   2.712   0.357   3.750
 1729TIP3    H158194   2.643   0.380   3.816
 1729TIP3    H258195   2.769   0.299   3.802
 1729TIP3   OH258196   1.855   0.432   3.947
 1729TIP3    H158197   1.848   0.422   3.851
 1729TIP3    H258198   1.948   0.412   3.961
 1729TIP3   OH258199   1.969   0.735   4.169
 1729TIP3    H158200   1.973   0.735   4.072
 1729TIP3    H258201   2.063   0.739   4.194
 1729TIP3   OH258202   1.890   0.315   4.274
 1729TIP3    H158203   1.952   0.306   4.199
 1729TIP3    H258204   1.947   0.354   4.342
 1729TIP3   OH258205   2.612   0.297   3.493
 1729TIP3    H158206   2.649   0.330   3.577
 1729TIP3    H258207   2.659   0.355   3.428
 1730TIP3   OH258208   2.371   0.976   3.856
 1730TIP3    H158209   2.394   1.005   3.946
 1730TIP3    H258210   2.301   1.038   3.832
 1730TIP3   OH258211   2.950  -0.523   3.440
 1730TIP3    H158212   2.864  -0.516   3.485
 1730TIP3    H258213   2.986  -0.433   3.452
 1730TIP3   OH258214   1.767   0.305   3.681
 1730TIP3    H158215   1.755   0.382   3.623
 1730TIP3    H258216   1.699   0.245   3.649
 1730TIP3   OH258217   3.092   0.891   3.291
 1730TIP3    H158218   3.105   0.982   3.321
 1730TIP3    H258219   3.176   0.849   3.317
 1730TIP3   OH258220   1.382   0.850   4.247
 1730TIP3    H158221   1.479   0.846   4.243
 1730TIP3    H258222   1.367   0.940   4.279
 1730TIP3   OH258223   2.282   1.269   3.701
 1730TIP3    H158224   2.313   1.255   3.611
 1730TIP3    H258225   2.342   1.336   3.738
 1730TIP3   OH258226   1.684   1.151   3.865
 1730TIP3    H158227   1.706   1.100   3.945
 1730TIP3    H258228   1.605   1.105   3.835
 1730TIP3   OH258229   2.635   1.174   3.411
 1730TIP3    H158230   2.692   1.105   3.373
 1730TIP3    H258231   2.629   1.145   3.505
 1730TIP3   OH258232   2.579   1.120   3.697
 1730TIP3    H158233   2.487   1.140   3.718
 1730TIP3    H258234   2.588   1.042   3.753
 1730TIP3   OH258235   1.903  -0.440   4.292
 1730TIP3    H158236   1.820  -0.450   4.242
 1730TIP3    H258237   1.909  -0.344   4.306
 1731TIP3   OH258238   2.762   0.411   3.293
 1731TIP3    H158239   2.745   0.389   3.200
 1731TIP3    H258240   2.856   0.433   3.292
 1731TIP3   OH258241   2.329  -0.214   3.345
 1731TIP3    H158242   2.278  -0.224   3.427
 1731TIP3    H258243   2.286  -0.282   3.290
 1731TIP3   OH258244   1.893   0.058   3.886
 1731TIP3    H158245   1.797   0.060   3.868
 1731TIP3    H258246   1.927   0.045   3.796
 1731TIP3   OH258247   2.446   0.130   3.760
 1731TIP3    H158248   2.403   0.210   3.721
 1731TIP3    H258249   2.513   0.111   3.693
 1731TIP3   OH258250   2.529   0.063   4.040
 1731TIP3    H158251   2.500   0.118   3.964
 1731TIP3    H258252   2.551  -0.020   3.992
 1731TIP3   OH258253   1.970  -0.171   3.233
 1731TIP3    H158254   1.936  -0.202   3.319
 1731TIP3    H258255   1.889  -0.156   3.183
 1731TIP3   OH258256   1.316  -0.180   3.944
 1731TIP3    H158257   1.374  -0.183   4.022
 1731TIP3    H258258   1.369  -0.219   3.874
 1731TIP3   OH258259   1.472  -0.139   3.512
 1731TIP3    H158260   1.529  -0.090   3.449
 1731TIP3    H258261   1.404  -0.072   3.532
 1731TIP3   OH258262   2.159  -0.172   3.984
 1731TIP3    H158263   2.066  -0.182   4.008
 1731TIP3    H258264   2.205  -0.201   4.065
 1731TIP3   OH258265   1.618  -0.056   3.857
 1731TIP3    H158266   1.541  -0.025   3.807
 1731TIP3    H258267   1.651  -0.131   3.804
 1732TIP3   OH258268   1.988  -0.024   3.617
 1732TIP3    H158269   2.084  -0.010   3.626
 1732TIP3    H258270   1.960   0.041   3.551
 1732TIP3   OH258271   2.601  -0.309   4.283
 1732TIP3    H158272   2.563  -0.276   4.365
 1732TIP3    H258273   2.528  -0.305   4.220
 1732TIP3   OH258274   1.831   0.099   3.399
 1732TIP3    H158275   1.774   0.076   3.325
 1732TIP3    H258276   1.911   0.129   3.353
 1732TIP3   OH258277   2.257   0.063   4.192
 1732TIP3    H158278   2.327   0.031   4.134
 1732TIP3    H258279   2.261  -0.001   4.264
 1732TIP3   OH258280   1.799  -0.280   3.786
 1732TIP3    H158281   1.744  -0.360   3.799
 1732TIP3    H258282   1.879  -0.317   3.746
 1732TIP3   OH258283   2.596  -0.148   3.353
 1732TIP3    H158284   2.498  -0.157   3.356
 1732TIP3    H258285   2.614  -0.082   3.424
 1732TIP3   OH258286   2.662   0.026   3.561
 1732TIP3    H158287   2.749   0.012   3.605
 1732TIP3    H258288   2.671   0.117   3.527
 1732TIP3   OH258289   1.685   0.474   4.169
 1732TIP3    H158290   1.741   0.479   4.089
 1732TIP3    H258291   1.734   0.404   4.217
 1732TIP3   OH258292   2.389   0.687   3.470
 1732TIP3    H158293   2.384   0.769   3.523
 1732TIP3    H258294   2.319   0.638   3.517
 1732TIP3   OH258295   3.124   0.024   3.537
 1732TIP3    H158296   3.065   0.005   3.462
 1732TIP3    H258297   3.134   0.120   3.526
 1733TIP3   OH258298   2.942   0.889   3.546
 1733TIP3    H158299   2.912   0.818   3.605
 1733TIP3    H258300   2.998   0.842   3.482
 1733TIP3   OH258301   2.656   0.435   4.251
 1733TIP3    H158302   2.564   0.406   4.265
 1733TIP3    H258303   2.693   0.360   4.201
 1733TIP3   OH258304   1.910   0.846   3.918
 1733TIP3    H158305   1.988   0.876   3.869
 1733TIP3    H258306   1.843   0.842   3.849
 1733TIP3   OH258307   1.529   0.310   3.349
 1733TIP3    H158308   1.589   0.375   3.390
 1733TIP3    H258309   1.443   0.338   3.385
 1733TIP3   OH258310   1.979   1.124   3.804
 1733TIP3    H158311   1.885   1.132   3.824
 1733TIP3    H258312   2.015   1.209   3.833
 1733TIP3   OH258313   2.682   0.730   3.340
 1733TIP3    H158314   2.722   0.683   3.416
 1733TIP3    H258315   2.589   0.713   3.360
 1733TIP3   OH258316   3.165   1.154   3.386
 1733TIP3    H158317   3.231   1.222   3.367
 1733TIP3    H258318   3.087   1.212   3.396
 1733TIP3   OH258319   2.785   0.586   3.565
 1733TIP3    H158320   2.752   0.523   3.632
 1733TIP3    H258321   2.879   0.592   3.589
 1733TIP3   OH258322   2.115   0.833   3.186
 1733TIP3    H158323   2.143   0.751   3.141
 1733TIP3    H258324   2.076   0.796   3.268
 1733TIP3   OH258325   2.019   0.775   3.460
 1733TIP3    H158326   2.053   0.718   3.532
 1733TIP3    H258327   2.022   0.863   3.502
 1734TIP3   OH258328   1.676   0.529   3.499
 1734TIP3    H158329   1.608   0.569   3.558
 1734TIP3    H258330   1.732   0.605   3.480
 1734TIP3   OH258331   2.515  -0.281   3.632
 1734TIP3    H158332   2.527  -0.222   3.556
 1734TIP3    H258333   2.554  -0.230   3.705
 1734TIP3   OH258334   2.304   0.970   3.534
 1734TIP3    H158335   2.211   0.994   3.546
 1734TIP3    H258336   2.322   0.998   3.444
 1734TIP3   OH258337   2.256  -0.079   3.727
 1734TIP3    H158338   2.327  -0.014   3.744
 1734TIP3    H258339   2.223  -0.097   3.817
 1734TIP3   OH258340   2.306  -0.378   3.818
 1734TIP3    H158341   2.294  -0.315   3.891
 1734TIP3    H258342   2.383  -0.340   3.773
 1734TIP3   OH258343   2.005   1.053   3.527
 1734TIP3    H158344   2.003   1.137   3.477
 1734TIP3    H258345   2.000   1.084   3.619
 1734TIP3   OH258346   1.884  -0.276   3.474
 1734TIP3    H158347   1.886  -0.199   3.534
 1734TIP3    H258348   1.965  -0.323   3.502
 1734TIP3   OH258349   2.760   0.202   4.135
 1734TIP3    H158350   2.681   0.153   4.107
 1734TIP3    H258351   2.816   0.130   4.172
 1734TIP3   OH258352   1.729   0.813   3.383
 1734TIP3    H158353   1.802   0.864   3.422
 1734TIP3    H258354   1.779   0.758   3.321
 1734TIP3   OH258355   1.539   0.030   3.291
 1734TIP3    H158356   1.552   0.123   3.316
 1734TIP3    H258357   1.451   0.031   3.253
 1735TIP3   OH258358   2.897   1.172   4.329
 1735TIP3    H158359   2.844   1.222   4.263
 1735TIP3    H258360   2.977   1.152   4.279
 1735TIP3   OH258361   1.627  -0.470   4.172
 1735TIP3    H158362   1.612  -0.466   4.075
 1735TIP3    H258363   1.592  -0.557   4.195
 1735TIP3   OH258364   1.516   0.879   3.799
 1735TIP3    H158365   1.441   0.936   3.821
 1735TIP3    H258366   1.560   0.931   3.730
 1735TIP3   OH258367   2.333   1.004   3.241
 1735TIP3    H158368   2.255   0.945   3.235
 1735TIP3    H258369   2.402   0.943   3.213
 1735TIP3   OH258370   2.798   0.992   3.249
 1735TIP3    H158371   2.809   0.915   3.308
 1735TIP3    H258372   2.882   0.994   3.202
 1735TIP3   OH258373   1.877   0.575   3.229
 1735TIP3    H158374   1.894   0.519   3.308
 1735TIP3    H258375   1.965   0.573   3.189
 1735TIP3   OH258376   2.405   0.713   3.192
 1735TIP3    H158377   2.387   0.705   3.289
 1735TIP3    H258378   2.394   0.619   3.167
 1735TIP3   OH258379   1.972   0.394   3.434
 1735TIP3    H158380   1.954   0.365   3.524
 1735TIP3    H258381   2.017   0.317   3.396
 1735TIP3   OH258382   2.082   0.182   3.288
 1735TIP3    H158383   2.076   0.196   3.192
 1735TIP3    H258384   2.178   0.184   3.303
 1735TIP3   OH258385   3.034   0.441   3.220
 1735TIP3    H158386   3.019   0.397   3.135
 1735TIP3    H258387   3.019   0.535   3.197
 1736TIP3   OH258388   2.056   1.312   3.395
 1736TIP3    H158389   2.151   1.324   3.413
 1736TIP3    H258390   2.048   1.357   3.310
 1736TIP3   OH258391   1.449   0.752   3.348
 1736TIP3    H158392   1.545   0.767   3.365
 1736TIP3    H258393   1.451   0.672   3.293
 1736TIP3   OH258394   1.344   1.272   3.826
 1736TIP3    H158395   1.275   1.232   3.770
 1736TIP3    H258396   1.359   1.202   3.893
 1736TIP3   OH258397   1.391   1.070   4.017
 1736TIP3    H158398   1.357   0.983   4.044
 1736TIP3    H258399   1.418   1.104   4.105
 1736TIP3   OH258400   3.161   1.208   4.269
 1736TIP3    H158401   3.135   1.196   4.362
 1736TIP3    H258402   3.257   1.212   4.278
 1736TIP3   OH258403   3.076   0.576   3.611
 1736TIP3    H158404   3.166   0.605   3.634
 1736TIP3    H258405   3.058   0.515   3.684
 1736TIP3   OH258406   3.126   0.366   3.815
 1736TIP3    H158407   3.050   0.317   3.854
 1736TIP3    H258408   3.183   0.383   3.892
 1736TIP3   OH258409   3.094   0.606   4.336
 1736TIP3    H158410   3.146   0.554   4.273
 1736TIP3    H258411   3.076   0.688   4.288
 1736TIP3   OH258412   3.147   0.320   3.467
 1736TIP3    H158413   3.092   0.347   3.391
 1736TIP3    H258414   3.128   0.392   3.529
 1736TIP3   OH258415   2.968   0.075   3.294
 1736TIP3    H158416   2.996   0.131   3.220
 1736TIP3    H258417   2.945  -0.009   3.250
 1737TIP3   OH258418   2.911   0.186   3.894
 1737TIP3    H158419   2.904   0.091   3.878
 1737TIP3    H258420   2.872   0.196   3.983
 1737TIP3   OH258421   1.396   0.374   4.262
 1737TIP3    H158422   1.431   0.399   4.175
 1737TIP3    H258423   1.477   0.371   4.316
 1737TIP3   OH258424   2.918  -0.192   3.213
 1737TIP3    H158425   2.976  -0.241   3.275
 1737TIP3    H258426   2.837  -0.245   3.212
 1737TIP3   OH258427   2.897  -0.063   3.709
 1737TIP3    H158428   2.919  -0.159   3.717
 1737TIP3    H258429   2.980  -0.030   3.670
 1737TIP3   OH258430   2.922   0.010   4.223
 1737TIP3    H158431   3.016  -0.001   4.240
 1737TIP3    H258432   2.882  -0.029   4.304
 1737TIP3   OH258433   2.945  -0.343   3.706
 1737TIP3    H158434   2.959  -0.377   3.796
 1737TIP3    H258435   2.865  -0.393   3.679
 1737TIP3   OH258436   1.467  -0.213   4.194
 1737TIP3    H158437   1.498  -0.305   4.204
 1737TIP3    H258438   1.528  -0.168   4.254
 1737TIP3   OH258439   1.311   0.074   4.303
 1737TIP3    H158440   1.353   0.037   4.224
 1737TIP3    H258441   1.339   0.167   4.297
 1737TIP3   OH258442   3.142  -0.292   3.370
 1737TIP3    H158443   3.172  -0.378   3.335
 1737TIP3    H258444   3.226  -0.246   3.385
 1737TIP3   OH258445   1.367  -0.326   3.691
 1737TIP3    H158446   1.271  -0.318   3.672
 1737TIP3    H258447   1.407  -0.263   3.628
 1738TIP3   OH258448   2.832   1.217   3.891
 1738TIP3    H158449   2.883   1.173   3.821
 1738TIP3    H258450   2.897   1.233   3.960
 1738TIP3   OH258451   1.533   1.110   4.260
 1738TIP3    H158452   1.567   1.108   4.351
 1738TIP3    H258453   1.615   1.085   4.212
 1738TIP3   OH258454   1.751   1.023   4.124
 1738TIP3    H158455   1.746   0.926   4.132
 1738TIP3    H258456   1.846   1.037   4.143
 1738TIP3   OH258457   2.018   1.074   4.213
 1738TIP3    H158458   2.058   0.996   4.174
 1738TIP3    H258459   2.035   1.060   4.307
 1738TIP3   OH258460   2.357  -0.332   4.126
 1738TIP3    H158461   2.297  -0.405   4.153
 1738TIP3    H258462   2.425  -0.381   4.076
 1738TIP3   OH258463   2.851  -0.459   4.153
 1738TIP3    H158464   2.935  -0.501   4.128
 1738TIP3    H258465   2.783  -0.520   4.122
 1738TIP3   OH258466   3.065  -0.427   3.953
 1738TIP3    H158467   3.142  -0.471   3.912
 1738TIP3    H258468   3.098  -0.338   3.971
 1738TIP3   OH258469   1.594  -0.471   3.890
 1738TIP3    H158470   1.509  -0.484   3.843
 1738TIP3    H258471   1.638  -0.556   3.873
 1738TIP3   OH258472   1.476  -0.521   3.477
 1738TIP3    H158473   1.527  -0.455   3.426
 1738TIP3    H258474   1.436  -0.466   3.547
 1738TIP3   OH258475   2.046  -0.495   3.891
 1738TIP3    H158476   2.133  -0.458   3.871
 1738TIP3    H258477   2.050  -0.504   3.987
 1739TIP3   OH258478   2.577  -0.478   3.999
 1739TIP3    H158479   2.627  -0.502   3.920
 1739TIP3    H258480   2.559  -0.564   4.040
 1739TIP3   OH258481   2.713  -0.484   3.615
 1739TIP3    H158482   2.632  -0.431   3.606
 1739TIP3    H258483   2.676  -0.573   3.629
 1739TIP3   OH258484   1.494   1.075   3.594
 1739TIP3    H158485   1.430   1.063   3.521
 1739TIP3    H258486   1.494   1.171   3.601
 1739TIP3   OH258487   1.648  -0.339   3.321
 1739TIP3    H158488   1.709  -0.394   3.270
 1739TIP3    H258489   1.707  -0.305   3.391
 1739TIP3   OH258490   2.157  -0.322   3.583
 1739TIP3    H158491   2.195  -0.375   3.654
 1739TIP3    H258492   2.174  -0.233   3.619
 1739TIP3   OH258493   2.365   1.267   3.397
 1739TIP3    H158494   2.462   1.259   3.402
 1739TIP3    H258495   2.343   1.190   3.342
 1739TIP3   OH258496   3.020   1.158   3.660
 1739TIP3    H158497   2.989   1.076   3.618
 1739TIP3    H258498   2.999   1.224   3.592
 1739TIP3   OH258499   1.639   1.171   3.273
 1739TIP3    H158500   1.615   1.197   3.363
 1739TIP3    H258501   1.715   1.112   3.288
 1739TIP3   OH258502   4.215   0.341   4.222
 1739TIP3    H158503   4.265   0.302   4.297
 1739TIP3    H258504   4.235   0.280   4.150
 1739TIP3   OH258505   3.280   0.123   3.779
 1739TIP3    H158506   3.228   0.205   3.783
 1739TIP3    H258507   3.214   0.059   3.749
 1740TIP3   OH258508   3.372   0.358   3.989
 1740TIP3    H158509   3.378   0.269   4.029
 1740TIP3    H258510   3.436   0.350   3.917
 1740TIP3   OH258511   4.052   0.564   4.251
 1740TIP3    H158512   4.103   0.489   4.214
 1740TIP3    H258513   4.126   0.602   4.304
 1740TIP3   OH258514   3.736  -0.168   4.042
 1740TIP3    H158515   3.753  -0.085   3.994
 1740TIP3    H258516   3.706  -0.226   3.969
 1740TIP3   OH258517   3.438   0.101   4.097
 1740TIP3    H158518   3.473   0.035   4.157
 1740TIP3    H258519   3.434   0.051   4.014
 1740TIP3   OH258520   3.938   0.239   4.057
 1740TIP3    H158521   4.016   0.185   4.082
 1740TIP3    H258522   3.895   0.178   3.994
 1740TIP3   OH258523   3.666  -0.077   4.300
 1740TIP3    H158524   3.642   0.014   4.279
 1740TIP3    H258525   3.657  -0.123   4.215
 1740TIP3   OH258526   3.353   0.660   3.627
 1740TIP3    H158527   3.324   0.708   3.547
 1740TIP3    H258528   3.364   0.731   3.693
 1740TIP3   OH258529   4.043  -0.533   4.187
 1740TIP3    H158530   4.027  -0.629   4.186
 1740TIP3    H258531   3.957  -0.500   4.218
 1740TIP3   OH258532   4.268   0.347   3.634
 1740TIP3    H158533   4.200   0.412   3.610
 1740TIP3    H258534   4.332   0.359   3.564
 1740TIP3   OH258535   4.291   0.192   3.349
 1740TIP3    H158536   4.365   0.183   3.410
 1740TIP3    H258537   4.292   0.110   3.300
 1741TIP3   OH258538   3.763   0.441   3.927
 1741TIP3    H158539   3.720   0.396   3.851
 1741TIP3    H258540   3.813   0.367   3.967
 1741TIP3   OH258541   3.784   0.326   4.274
 1741TIP3    H158542   3.849   0.300   4.206
 1741TIP3    H258543   3.839   0.335   4.353
 1741TIP3   OH258544   4.242   0.958   3.850
 1741TIP3    H158545   4.299   1.005   3.914
 1741TIP3    H258546   4.202   1.031   3.803
 1741TIP3   OH258547   3.648   0.315   3.684
 1741TIP3    H158548   3.625   0.384   3.620
 1741TIP3    H258549   3.589   0.242   3.657
 1741TIP3   OH258550   3.265   0.861   4.225
 1741TIP3    H158551   3.355   0.850   4.256
 1741TIP3    H258552   3.230   0.926   4.287
 1741TIP3   OH258553   4.184   1.233   3.698
 1741TIP3    H158554   4.205   1.237   3.604
 1741TIP3    H258555   4.206   1.321   3.731
 1741TIP3   OH258556   3.575   1.146   3.864
 1741TIP3    H158557   3.584   1.099   3.949
 1741TIP3    H258558   3.490   1.110   3.833
 1741TIP3   OH258559   3.791  -0.437   4.292
 1741TIP3    H158560   3.710  -0.457   4.243
 1741TIP3    H258561   3.784  -0.342   4.308
 1741TIP3   OH258562   4.228  -0.205   3.350
 1741TIP3    H158563   4.173  -0.229   3.427
 1741TIP3    H258564   4.202  -0.275   3.289
 1741TIP3   OH258565   3.776   0.070   3.882
 1741TIP3    H158566   3.681   0.055   3.868
 1741TIP3    H258567   3.811   0.043   3.795
 1742TIP3   OH258568   4.276   0.116   3.838
 1742TIP3    H158569   4.273   0.207   3.805
 1742TIP3    H258570   4.369   0.101   3.860
 1742TIP3   OH258571   3.859  -0.155   3.237
 1742TIP3    H158572   3.825  -0.198   3.318
 1742TIP3    H258573   3.782  -0.158   3.178
 1742TIP3   OH258574   3.214  -0.162   3.940
 1742TIP3    H158575   3.260  -0.187   4.021
 1742TIP3    H258576   3.250  -0.222   3.872
 1742TIP3   OH258577   3.359  -0.138   3.511
 1742TIP3    H158578   3.414  -0.088   3.447
 1742TIP3    H258579   3.289  -0.074   3.532
 1742TIP3   OH258580   4.048  -0.182   3.984
 1742TIP3    H158581   3.954  -0.198   4.003
 1742TIP3    H258582   4.087  -0.198   4.072
 1742TIP3   OH258583   3.515  -0.050   3.848
 1742TIP3    H158584   3.427  -0.032   3.811
 1742TIP3    H258585   3.539  -0.135   3.806
 1742TIP3   OH258586   3.873  -0.020   3.622
 1742TIP3    H158587   3.970  -0.012   3.626
 1742TIP3    H258588   3.847   0.039   3.550
 1742TIP3   OH258589   3.721   0.110   3.398
 1742TIP3    H158590   3.659   0.074   3.333
 1742TIP3    H258591   3.803   0.115   3.346
 1742TIP3   OH258592   4.128   0.059   4.153
 1742TIP3    H158593   4.188   0.013   4.092
 1742TIP3    H258594   4.152   0.018   4.238
 1742TIP3   OH258595   3.676  -0.291   3.784
 1742TIP3    H158596   3.625  -0.371   3.804
 1742TIP3    H258597   3.760  -0.329   3.756
 1743TIP3   OH258598   4.067   0.553   3.584
 1743TIP3    H158599   3.994   0.499   3.545
 1743TIP3    H258600   4.053   0.543   3.679
 1743TIP3   OH258601   3.583   0.507   4.172
 1743TIP3    H158602   3.610   0.483   4.082
 1743TIP3    H258603   3.600   0.425   4.220
 1743TIP3   OH258604   4.287   0.690   3.482
 1743TIP3    H158605   4.260   0.779   3.512
 1743TIP3    H258606   4.211   0.637   3.513
 1743TIP3   OH258607   3.811   0.831   3.930
 1743TIP3    H158608   3.860   0.909   3.895
 1743TIP3    H258609   3.728   0.840   3.880
 1743TIP3   OH258610   3.414   0.310   3.349
 1743TIP3    H158611   3.471   0.377   3.391
 1743TIP3    H258612   3.326   0.333   3.388
 1743TIP3   OH258613   3.989   0.604   3.907
 1743TIP3    H158614   3.970   0.685   3.857
 1743TIP3    H258615   3.914   0.545   3.885
 1743TIP3   OH258616   3.859   1.117   3.813
 1743TIP3    H158617   3.764   1.136   3.820
 1743TIP3    H258618   3.897   1.204   3.837
 1743TIP3   OH258619   3.994   0.838   3.194
 1743TIP3    H158620   4.029   0.762   3.144
 1743TIP3    H258621   3.955   0.793   3.271
 1743TIP3   OH258622   3.882   0.781   3.472
 1743TIP3    H158623   3.941   0.730   3.530
 1743TIP3    H258624   3.900   0.874   3.499
 1743TIP3   OH258625   3.569   0.531   3.506
 1743TIP3    H158626   3.494   0.568   3.557
 1743TIP3    H258627   3.612   0.612   3.475
 1744TIP3   OH258628   4.166   0.946   3.522
 1744TIP3    H158629   4.088   1.000   3.543
 1744TIP3    H258630   4.211   1.002   3.458
 1744TIP3   OH258631   4.138  -0.085   3.727
 1744TIP3    H158632   4.200  -0.018   3.763
 1744TIP3    H258633   4.099  -0.114   3.812
 1744TIP3   OH258634   4.199  -0.384   3.850
 1744TIP3    H158635   4.164  -0.305   3.896
 1744TIP3    H258636   4.270  -0.347   3.795
 1744TIP3   OH258637   3.895   1.054   3.528
 1744TIP3    H158638   3.891   1.135   3.472
 1744TIP3    H258639   3.881   1.091   3.617
 1744TIP3   OH258640   3.769  -0.272   3.468
 1744TIP3    H158641   3.770  -0.205   3.538
 1744TIP3    H258642   3.836  -0.336   3.498
 1744TIP3   OH258643   3.611   0.811   3.381
 1744TIP3    H158644   3.684   0.860   3.421
 1744TIP3    H258645   3.660   0.760   3.314
 1744TIP3   OH258646   3.428   0.033   3.288
 1744TIP3    H158647   3.434   0.127   3.315
 1744TIP3    H258648   3.336   0.027   3.258
 1744TIP3   OH258649   3.503  -0.467   4.165
 1744TIP3    H158650   3.503  -0.478   4.068
 1744TIP3    H258651   3.482  -0.557   4.194
 1744TIP3   OH258652   3.409   0.883   3.799
 1744TIP3    H158653   3.330   0.930   3.829
 1744TIP3    H258654   3.438   0.938   3.725
 1744TIP3   OH258655   4.231   1.003   3.225
 1744TIP3    H158656   4.148   0.951   3.226
 1744TIP3    H258657   4.294   0.930   3.212
 1745TIP3   OH258658   3.763   0.580   3.227
 1745TIP3    H158659   3.777   0.519   3.301
 1745TIP3    H258660   3.849   0.574   3.181
 1745TIP3   OH258661   4.260   0.711   3.183
 1745TIP3    H158662   4.279   0.721   3.278
 1745TIP3    H258663   4.245   0.615   3.177
 1745TIP3   OH258664   3.875   0.384   3.464
 1745TIP3    H158665   3.807   0.334   3.513
 1745TIP3    H258666   3.903   0.316   3.399
 1745TIP3   OH258667   3.980   0.190   3.290
 1745TIP3    H158668   3.969   0.189   3.194
 1745TIP3    H258669   4.076   0.197   3.299
 1745TIP3   OH258670   3.957   1.307   3.398
 1745TIP3    H158671   4.053   1.316   3.405
 1745TIP3    H258672   3.940   1.357   3.317
 1745TIP3   OH258673   3.333   0.752   3.349
 1745TIP3    H158674   3.429   0.769   3.364
 1745TIP3    H258675   3.336   0.672   3.293
 1745TIP3   OH258676   3.239   1.268   3.820
 1745TIP3    H158677   3.164   1.232   3.767
 1745TIP3    H258678   3.242   1.203   3.893
 1745TIP3   OH258679   3.277   1.069   4.019
 1745TIP3    H158680   3.244   0.983   4.049
 1745TIP3    H258681   3.294   1.109   4.106
 1745TIP3   OH258682   3.279   0.375   4.260
 1745TIP3    H158683   3.319   0.400   4.175
 1745TIP3    H258684   3.355   0.370   4.320
 1745TIP3   OH258685   3.355  -0.211   4.192
 1745TIP3    H158686   3.378  -0.305   4.199
 1745TIP3    H258687   3.414  -0.174   4.258
 1746TIP3   OH258688   3.197   0.072   4.304
 1746TIP3    H158689   3.236   0.033   4.224
 1746TIP3    H258690   3.223   0.166   4.295
 1746TIP3   OH258691   3.252  -0.315   3.700
 1746TIP3    H158692   3.158  -0.320   3.674
 1746TIP3    H258693   3.292  -0.262   3.628
 1746TIP3   OH258694   3.417   1.113   4.266
 1746TIP3    H158695   3.452   1.114   4.357
 1746TIP3    H258696   3.500   1.092   4.218
 1746TIP3   OH258697   3.635   1.014   4.128
 1746TIP3    H158698   3.629   0.919   4.141
 1746TIP3    H258699   3.728   1.034   4.153
 1746TIP3   OH258700   3.902   1.063   4.209
 1746TIP3    H158701   3.951   0.980   4.196
 1746TIP3    H258702   3.911   1.073   4.305
 1746TIP3   OH258703   4.268  -0.362   4.132
 1746TIP3    H158704   4.192  -0.417   4.161
 1746TIP3    H258705   4.294  -0.409   4.052
 1746TIP3   OH258706   3.503  -0.512   3.883
 1746TIP3    H158707   3.415  -0.527   3.843
 1746TIP3    H258708   3.546  -0.597   3.868
 1746TIP3   OH258709   3.348  -0.516   3.469
 1746TIP3    H158710   3.412  -0.456   3.428
 1746TIP3    H258711   3.325  -0.470   3.551
 1746TIP3   OH258712   3.930  -0.463   3.887
 1746TIP3    H158713   4.026  -0.470   3.876
 1746TIP3    H258714   3.913  -0.530   3.953
 1746TIP3   OH258715   3.383   1.074   3.592
 1746TIP3    H158716   3.316   1.062   3.523
 1746TIP3    H258717   3.376   1.170   3.605
 1747TIP3   OH258718   3.535  -0.333   3.317
 1747TIP3    H158719   3.591  -0.398   3.271
 1747TIP3    H258720   3.595  -0.305   3.389
 1747TIP3   OH258721   4.084  -0.319   3.576
 1747TIP3    H158722   4.058  -0.389   3.638
 1747TIP3    H258723   4.053  -0.239   3.621
 1747TIP3   OH258724   4.263   1.239   3.403
 1747TIP3    H158725   4.351   1.277   3.385
 1747TIP3    H258726   4.249   1.180   3.326
 1747TIP3   OH258727   3.525   1.172   3.272
 1747TIP3    H158728   3.496   1.196   3.361
 1747TIP3    H258729   3.600   1.113   3.289
 1747TIP3   OH258730  -3.173   2.287   3.928
 1747TIP3    H158731  -3.161   2.384   3.931
 1747TIP3    H258732  -3.236   2.278   3.856
 1747TIP3   OH258733  -3.272   2.227   4.247
 1747TIP3    H158734  -3.276   2.150   4.306
 1747TIP3    H258735  -3.279   2.188   4.159
 1747TIP3   OH258736  -2.918   2.504   4.039
 1747TIP3    H158737  -2.954   2.436   4.097
 1747TIP3    H258738  -2.880   2.563   4.108
 1747TIP3   OH258739  -3.953   2.652   4.247
 1747TIP3    H158740  -3.988   2.565   4.225
 1747TIP3    H258741  -3.857   2.631   4.249
 1747TIP3   OH258742  -4.223   2.027   3.647
 1747TIP3    H158743  -4.239   2.106   3.702
 1747TIP3    H258744  -4.306   1.980   3.661
 1747TIP3   OH258745  -4.194   2.207   3.932
 1747TIP3    H158746  -4.194   2.180   4.025
 1747TIP3    H258747  -4.120   2.270   3.932
 1748TIP3   OH258748  -3.208   3.044   4.112
 1748TIP3    H158749  -3.146   2.975   4.084
 1748TIP3    H258750  -3.236   3.014   4.200
 1748TIP3   OH258751  -3.467   2.454   4.280
 1748TIP3    H158752  -3.422   2.389   4.223
 1748TIP3    H258753  -3.386   2.493   4.321
 1748TIP3   OH258754  -3.121   1.928   4.323
 1748TIP3    H158755  -3.074   1.844   4.339
 1748TIP3    H258756  -3.110   1.940   4.227
 1748TIP3   OH258757  -3.808   1.717   4.042
 1748TIP3    H158758  -3.789   1.802   3.997
 1748TIP3    H258759  -3.841   1.665   3.966
 1748TIP3   OH258760  -3.018   1.737   3.872
 1748TIP3    H158761  -2.963   1.693   3.940
 1748TIP3    H258762  -2.949   1.779   3.817
 1748TIP3   OH258763  -4.122   1.980   4.109
 1748TIP3    H158764  -4.073   1.922   4.168
 1748TIP3    H258765  -4.107   1.937   4.023
 1748TIP3   OH258766  -3.602   2.126   4.055
 1748TIP3    H158767  -3.526   2.071   4.083
 1748TIP3    H258768  -3.647   2.066   3.992
 1748TIP3   OH258769  -3.174   2.573   3.794
 1748TIP3    H158770  -3.201   2.554   3.704
 1748TIP3    H258771  -3.215   2.659   3.811
 1748TIP3   OH258772  -2.838   1.658   4.073
 1748TIP3    H158773  -2.856   1.591   4.141
 1748TIP3    H258774  -2.784   1.719   4.126
 1748TIP3   OH258775  -3.877   1.810   4.297
 1748TIP3    H158776  -3.898   1.902   4.279
 1748TIP3    H258777  -3.886   1.766   4.210
 1749TIP3   OH258778  -4.183   2.534   3.630
 1749TIP3    H158779  -4.263   2.556   3.579
 1749TIP3    H258780  -4.187   2.599   3.703
 1749TIP3   OH258781  -2.841   2.635   4.259
 1749TIP3    H158782  -2.904   2.624   4.332
 1749TIP3    H258783  -2.772   2.689   4.300
 1749TIP3   OH258784  -3.510   1.355   4.178
 1749TIP3    H158785  -3.515   1.258   4.182
 1749TIP3    H258786  -3.593   1.380   4.222
 1749TIP3   OH258787  -3.019   2.884   3.965
 1749TIP3    H158788  -2.973   2.804   3.934
 1749TIP3    H258789  -2.952   2.953   3.945
 1749TIP3   OH258790  -2.878   2.673   3.822
 1749TIP3    H158791  -2.922   2.621   3.754
 1749TIP3    H258792  -2.880   2.609   3.897
 1749TIP3   OH258793  -3.297   2.241   3.641
 1749TIP3    H158794  -3.361   2.304   3.602
 1749TIP3    H258795  -3.222   2.247   3.580
 1749TIP3   OH258796  -3.267   2.062   3.343
 1749TIP3    H158797  -3.202   2.093   3.409
 1749TIP3    H258798  -3.211   2.005   3.289
 1749TIP3   OH258799  -2.951   2.243   3.748
 1749TIP3    H158800  -3.010   2.263   3.824
 1749TIP3    H258801  -2.882   2.190   3.793
 1749TIP3   OH258802  -3.777   2.325   3.922
 1749TIP3    H158803  -3.817   2.278   3.847
 1749TIP3    H258804  -3.722   2.256   3.963
 1749TIP3   OH258805  -3.684   2.631   4.159
 1749TIP3    H158806  -3.659   2.599   4.071
 1749TIP3    H258807  -3.599   2.635   4.205
 1750TIP3   OH258808  -3.768   2.195   4.270
 1750TIP3    H158809  -3.698   2.191   4.202
 1750TIP3    H258810  -3.724   2.241   4.343
 1750TIP3   OH258811  -3.053   2.196   3.492
 1750TIP3    H158812  -3.003   2.215   3.575
 1750TIP3    H258813  -2.999   2.245   3.426
 1750TIP3   OH258814  -3.303   2.848   3.851
 1750TIP3    H158815  -3.256   2.878   3.930
 1750TIP3    H258816  -3.353   2.926   3.825
 1750TIP3   OH258817  -2.707   1.358   3.443
 1750TIP3    H158818  -2.790   1.372   3.490
 1750TIP3    H258819  -2.669   1.447   3.442
 1750TIP3   OH258820  -3.889   2.191   3.674
 1750TIP3    H158821  -3.916   2.270   3.625
 1750TIP3    H258822  -3.963   2.131   3.656
 1750TIP3   OH258823  -2.566   2.776   3.293
 1750TIP3    H158824  -2.550   2.868   3.322
 1750TIP3    H258825  -2.481   2.734   3.315
 1750TIP3   OH258826  -4.292   2.750   4.216
 1750TIP3    H158827  -4.208   2.711   4.243
 1750TIP3    H258828  -4.305   2.811   4.289
 1750TIP3   OH258829  -3.347   3.118   3.698
 1750TIP3    H158830  -3.348   3.133   3.602
 1750TIP3    H258831  -3.347   3.209   3.734
 1750TIP3   OH258832  -3.977   3.029   3.861
 1750TIP3    H158833  -3.950   2.991   3.948
 1750TIP3    H258834  -4.058   2.979   3.846
 1750TIP3   OH258835  -3.021   3.059   3.415
 1750TIP3    H158836  -2.962   2.994   3.373
 1750TIP3    H258837  -3.025   3.025   3.507
 1751TIP3   OH258838  -3.079   3.004   3.697
 1751TIP3    H158839  -3.174   3.020   3.714
 1751TIP3    H258840  -3.062   2.932   3.760
 1751TIP3   OH258841  -3.753   1.444   4.291
 1751TIP3    H158842  -3.837   1.430   4.242
 1751TIP3    H258843  -3.752   1.541   4.305
 1751TIP3   OH258844  -2.896   2.303   3.291
 1751TIP3    H158845  -2.907   2.274   3.199
 1751TIP3    H258846  -2.799   2.313   3.297
 1751TIP3   OH258847  -3.339   1.680   3.337
 1751TIP3    H158848  -3.377   1.664   3.424
 1751TIP3    H258849  -3.369   1.602   3.288
 1751TIP3   OH258850  -3.767   1.949   3.884
 1751TIP3    H158851  -3.863   1.945   3.866
 1751TIP3    H258852  -3.732   1.930   3.795
 1751TIP3   OH258853  -3.209   2.006   3.763
 1751TIP3    H158854  -3.249   2.088   3.727
 1751TIP3    H258855  -3.137   1.991   3.700
 1751TIP3   OH258856  -3.129   1.947   4.043
 1751TIP3    H158857  -3.154   2.003   3.968
 1751TIP3    H258858  -3.105   1.866   3.994
 1751TIP3   OH258859  -3.699   1.715   3.229
 1751TIP3    H158860  -3.711   1.683   3.321
 1751TIP3    H258861  -3.791   1.719   3.200
 1751TIP3   OH258862  -4.320   1.718   3.938
 1751TIP3    H158863  -4.297   1.701   4.031
 1751TIP3    H258864  -4.277   1.645   3.894
 1751TIP3   OH258865  -4.207   1.755   3.523
 1751TIP3    H158866  -4.146   1.790   3.457
 1751TIP3    H258867  -4.288   1.804   3.505
 1752TIP3   OH258868  -3.499   1.713   3.984
 1752TIP3    H158869  -3.591   1.701   4.013
 1752TIP3    H258870  -3.450   1.686   4.063
 1752TIP3   OH258871  -4.040   1.836   3.846
 1752TIP3    H158872  -4.118   1.847   3.791
 1752TIP3    H258873  -4.003   1.752   3.813
 1752TIP3   OH258874  -3.672   1.862   3.616
 1752TIP3    H158875  -3.575   1.868   3.630
 1752TIP3    H258876  -3.691   1.932   3.552
 1752TIP3   OH258877  -3.055   1.576   4.281
 1752TIP3    H158878  -3.092   1.609   4.364
 1752TIP3    H258879  -3.129   1.582   4.219
 1752TIP3   OH258880  -3.829   1.993   3.391
 1752TIP3    H158881  -3.883   1.953   3.322
 1752TIP3    H258882  -3.744   2.009   3.345
 1752TIP3   OH258883  -3.402   1.949   4.190
 1752TIP3    H158884  -3.328   1.920   4.134
 1752TIP3    H258885  -3.396   1.887   4.264
 1752TIP3   OH258886  -3.873   1.601   3.789
 1752TIP3    H158887  -3.915   1.514   3.800
 1752TIP3    H258888  -3.787   1.577   3.750
 1752TIP3   OH258889  -3.478   2.448   3.582
 1752TIP3    H158890  -3.555   2.398   3.548
 1752TIP3    H258891  -3.496   2.452   3.679
 1752TIP3   OH258892  -3.063   1.729   3.356
 1752TIP3    H158893  -3.161   1.732   3.355
 1752TIP3    H258894  -3.039   1.801   3.418
 1752TIP3   OH258895  -2.999   1.916   3.557
 1752TIP3    H158896  -2.914   1.897   3.601
 1752TIP3    H258897  -2.981   2.002   3.517
 1753TIP3   OH258898  -3.972   2.338   4.150
 1753TIP3    H158899  -3.904   2.367   4.087
 1753TIP3    H258900  -3.918   2.283   4.210
 1753TIP3   OH258901  -3.239   2.584   3.471
 1753TIP3    H158902  -3.264   2.670   3.512
 1753TIP3    H258903  -3.313   2.528   3.502
 1753TIP3   OH258904  -2.718   2.772   3.544
 1753TIP3    H158905  -2.740   2.697   3.602
 1753TIP3    H258906  -2.657   2.732   3.482
 1753TIP3   OH258907  -3.003   2.323   4.248
 1753TIP3    H158908  -3.092   2.291   4.268
 1753TIP3    H258909  -2.964   2.247   4.201
 1753TIP3   OH258910  -3.725   2.713   3.871
 1753TIP3    H158911  -3.686   2.801   3.876
 1753TIP3    H258912  -3.820   2.734   3.869
 1753TIP3   OH258913  -4.151   2.211   3.360
 1753TIP3    H158914  -4.080   2.267   3.398
 1753TIP3    H258915  -4.228   2.268   3.376
 1753TIP3   OH258916  -3.544   2.485   3.858
 1753TIP3    H158917  -3.577   2.576   3.861
 1753TIP3    H258918  -3.621   2.435   3.892
 1753TIP3   OH258919  -3.681   3.007   3.809
 1753TIP3    H158920  -3.776   3.019   3.821
 1753TIP3    H258921  -3.647   3.094   3.839
 1753TIP3   OH258922  -2.971   2.617   3.337
 1753TIP3    H158923  -2.925   2.571   3.410
 1753TIP3    H258924  -3.063   2.600   3.365
 1753TIP3   OH258925  -2.495   3.041   3.389
 1753TIP3    H158926  -2.425   3.106   3.369
 1753TIP3    H258927  -2.572   3.102   3.391
 1754TIP3   OH258928  -2.870   2.479   3.575
 1754TIP3    H158929  -2.898   2.405   3.632
 1754TIP3    H258930  -2.773   2.473   3.582
 1754TIP3   OH258931  -3.545   2.718   3.191
 1754TIP3    H158932  -3.513   2.638   3.147
 1754TIP3    H258933  -3.586   2.681   3.271
 1754TIP3   OH258934  -3.660   2.672   3.463
 1754TIP3    H158935  -3.612   2.620   3.529
 1754TIP3    H258936  -3.648   2.763   3.497
 1754TIP3   OH258937  -3.986   2.413   3.499
 1754TIP3    H158938  -4.056   2.454   3.556
 1754TIP3    H258939  -3.937   2.494   3.477
 1754TIP3   OH258940  -3.148   1.610   3.630
 1754TIP3    H158941  -3.121   1.664   3.554
 1754TIP3    H258942  -3.101   1.655   3.703
 1754TIP3   OH258943  -3.367   2.832   3.526
 1754TIP3    H158944  -3.447   2.883   3.549
 1754TIP3    H258945  -3.329   2.885   3.456
 1754TIP3   OH258946  -3.410   1.809   3.726
 1754TIP3    H158947  -3.331   1.865   3.740
 1754TIP3    H258948  -3.435   1.788   3.818
 1754TIP3   OH258949  -3.350   1.508   3.817
 1754TIP3    H158950  -3.361   1.569   3.892
 1754TIP3    H258951  -3.272   1.547   3.773
 1754TIP3   OH258952  -3.647   2.942   3.527
 1754TIP3    H158953  -3.652   3.025   3.475
 1754TIP3    H258954  -3.659   2.975   3.618
 1754TIP3   OH258955  -3.771   1.612   3.477
 1754TIP3    H158956  -3.765   1.689   3.537
 1754TIP3    H258957  -3.692   1.561   3.506
 1755TIP3   OH258958  -2.898   2.085   4.147
 1755TIP3    H158959  -2.971   2.039   4.104
 1755TIP3    H258960  -2.839   2.010   4.173
 1755TIP3   OH258961  -3.930   2.700   3.381
 1755TIP3    H158962  -3.855   2.743   3.424
 1755TIP3    H258963  -3.884   2.644   3.318
 1755TIP3   OH258964  -4.102   1.917   3.277
 1755TIP3    H158965  -4.101   2.005   3.318
 1755TIP3    H258966  -4.194   1.899   3.262
 1755TIP3   OH258967  -2.764   3.066   4.315
 1755TIP3    H158968  -2.828   3.049   4.246
 1755TIP3    H258969  -2.682   3.026   4.284
 1755TIP3   OH258970  -4.023   1.402   4.168
 1755TIP3    H158971  -4.059   1.408   4.077
 1755TIP3    H258972  -4.073   1.327   4.205
 1755TIP3   OH258973  -4.139   2.770   3.795
 1755TIP3    H158974  -4.227   2.808   3.804
 1755TIP3    H258975  -4.103   2.818   3.719
 1755TIP3   OH258976  -3.323   2.892   3.240
 1755TIP3    H158977  -3.399   2.830   3.236
 1755TIP3    H258978  -3.252   2.834   3.208
 1755TIP3   OH258979  -2.860   2.880   3.251
 1755TIP3    H158980  -2.846   2.802   3.308
 1755TIP3    H258981  -2.777   2.883   3.201
 1755TIP3   OH258982  -3.781   2.461   3.227
 1755TIP3    H158983  -3.762   2.406   3.305
 1755TIP3    H258984  -3.695   2.461   3.182
 1755TIP3   OH258985  -3.257   2.597   3.187
 1755TIP3    H158986  -3.259   2.593   3.285
 1755TIP3    H258987  -3.262   2.501   3.167
 1756TIP3   OH258988  -3.674   2.273   3.459
 1756TIP3    H158989  -3.734   2.224   3.517
 1756TIP3    H258990  -3.643   2.203   3.398
 1756TIP3   OH258991  -3.576   2.070   3.283
 1756TIP3    H158992  -3.576   2.085   3.187
 1756TIP3    H258993  -3.480   2.068   3.303
 1756TIP3   OH258994  -2.616   2.327   3.219
 1756TIP3    H158995  -2.631   2.281   3.135
 1756TIP3    H258996  -2.633   2.420   3.194
 1756TIP3   OH258997  -3.599   3.196   3.396
 1756TIP3    H158998  -3.504   3.210   3.409
 1756TIP3    H258999  -3.612   3.243   3.313
 1756TIP3   OH259000  -4.197   2.689   3.305
 1756TIP3    H159001  -4.120   2.680   3.365
 1756TIP3    H259002  -4.220   2.598   3.284
 1756TIP3   OH259003  -4.275   2.964   4.017
 1756TIP3    H159004  -4.275   2.874   4.056
 1756TIP3    H259005  -4.244   3.011   4.096
 1756TIP3   OH259006  -2.488   3.102   4.272
 1756TIP3    H159007  -2.512   3.087   4.365
 1756TIP3    H259008  -2.392   3.095   4.277
 1756TIP3   OH259009  -2.586   2.468   3.615
 1756TIP3    H159010  -2.494   2.490   3.638
 1756TIP3    H259011  -2.600   2.395   3.678
 1756TIP3   OH259012  -2.543   2.278   3.825
 1756TIP3    H159013  -2.587   2.192   3.829
 1756TIP3    H259014  -2.464   2.262   3.881
 1756TIP3   OH259015  -2.564   2.492   4.331
 1756TIP3    H159016  -2.508   2.437   4.276
 1756TIP3    H259017  -2.561   2.577   4.287
 1757TIP3   OH259018  -2.563   2.193   3.469
 1757TIP3    H159019  -2.568   2.243   3.386
 1757TIP3    H259020  -2.516   2.249   3.531
 1757TIP3   OH259021  -2.714   1.961   3.290
 1757TIP3    H159022  -2.643   2.012   3.251
 1757TIP3    H259023  -2.693   1.870   3.266
 1757TIP3   OH259024  -2.774   2.070   3.886
 1757TIP3    H159025  -2.753   1.976   3.875
 1757TIP3    H259026  -2.785   2.080   3.982
 1757TIP3   OH259027  -4.217   2.352   4.317
 1757TIP3    H159028  -4.267   2.326   4.239
 1757TIP3    H259029  -4.141   2.293   4.313
 1757TIP3   OH259030  -2.735   1.686   3.206
 1757TIP3    H159031  -2.677   1.647   3.274
 1757TIP3    H259032  -2.820   1.642   3.220
 1757TIP3   OH259033  -2.769   1.823   3.710
 1757TIP3    H159034  -2.731   1.733   3.713
 1757TIP3    H259035  -2.688   1.874   3.689
 1757TIP3   OH259036  -2.740   1.884   4.220
 1757TIP3    H159037  -2.644   1.884   4.233
 1757TIP3    H259038  -2.773   1.879   4.312
 1757TIP3   OH259039  -2.709   1.538   3.706
 1757TIP3    H159040  -2.699   1.509   3.798
 1757TIP3    H259041  -2.791   1.493   3.680
 1757TIP3   OH259042  -4.168   1.691   4.194
 1757TIP3    H159043  -4.170   1.595   4.210
 1757TIP3    H259044  -4.111   1.719   4.266
 1757TIP3   OH259045  -4.343   1.945   4.318
 1757TIP3    H159046  -4.307   1.899   4.241
 1757TIP3    H259047  -4.300   2.031   4.311
 1758TIP3   OH259048  -2.527   1.585   3.366
 1758TIP3    H159049  -2.480   1.509   3.329
 1758TIP3    H259050  -2.453   1.642   3.397
 1758TIP3   OH259051  -4.316   1.542   3.648
 1758TIP3    H159052  -4.401   1.573   3.613
 1758TIP3    H259053  -4.256   1.613   3.614
 1758TIP3   OH259054  -2.827   3.088   3.907
 1758TIP3    H159055  -2.783   3.062   3.823
 1758TIP3    H259056  -2.755   3.136   3.950
 1758TIP3   OH259057  -4.155   2.997   4.265
 1758TIP3    H159058  -4.135   3.003   4.359
 1758TIP3    H259059  -4.064   3.000   4.231
 1758TIP3   OH259060  -3.904   2.904   4.106
 1758TIP3    H159061  -3.924   2.817   4.146
 1758TIP3    H259062  -3.821   2.928   4.150
 1758TIP3   OH259063  -3.633   2.956   4.211
 1758TIP3    H159064  -3.608   2.866   4.185
 1758TIP3    H259065  -3.627   2.950   4.307
 1758TIP3   OH259066  -3.300   1.553   4.126
 1758TIP3    H159067  -3.360   1.480   4.153
 1758TIP3    H259068  -3.231   1.504   4.077
 1758TIP3   OH259069  -2.801   1.355   4.157
 1758TIP3    H159070  -2.726   1.399   4.113
 1758TIP3    H259071  -2.877   1.389   4.109
 1758TIP3   OH259072  -2.599   1.452   3.961
 1758TIP3    H159073  -2.526   1.413   3.911
 1758TIP3    H259074  -2.564   1.542   3.978
 1758TIP3   OH259075  -4.108   1.403   3.885
 1758TIP3    H159076  -4.180   1.371   3.829
 1758TIP3    H259077  -4.044   1.329   3.877
 1759TIP3   OH259078  -4.183   1.364   3.467
 1759TIP3    H159079  -4.133   1.432   3.419
 1759TIP3    H259080  -4.234   1.419   3.530
 1759TIP3   OH259081  -3.614   1.395   3.892
 1759TIP3    H159082  -3.525   1.427   3.871
 1759TIP3    H259083  -3.607   1.382   3.987
 1759TIP3   OH259084  -3.068   1.407   4.004
 1759TIP3    H159085  -3.025   1.381   3.921
 1759TIP3    H259086  -3.091   1.321   4.042
 1759TIP3   OH259087  -2.946   1.402   3.617
 1759TIP3    H159088  -3.028   1.452   3.602
 1759TIP3    H259089  -2.980   1.312   3.631
 1759TIP3   OH259090  -4.194   2.966   3.576
 1759TIP3    H159091  -4.243   2.945   3.495
 1759TIP3    H259092  -4.181   3.062   3.568
 1759TIP3   OH259093  -4.003   1.558   3.319
 1759TIP3    H159094  -3.949   1.492   3.272
 1759TIP3    H259095  -3.943   1.582   3.392
 1759TIP3   OH259096  -3.501   1.566   3.584
 1759TIP3    H159097  -3.462   1.508   3.651
 1759TIP3    H259098  -3.477   1.653   3.621
 1759TIP3   OH259099  -3.295   3.145   3.403
 1759TIP3    H159100  -3.197   3.144   3.401
 1759TIP3    H259101  -3.314   3.077   3.336
 1759TIP3   OH259102  -2.645   3.046   3.664
 1759TIP3    H159103  -2.668   2.962   3.620
 1759TIP3    H259104  -2.649   3.108   3.589
 1759TIP3   OH259105  -4.011   3.064   3.271
 1759TIP3    H159106  -4.040   3.082   3.361
 1759TIP3    H259107  -3.940   2.999   3.285
 1760TIP3   OH259108  -1.282   2.288   3.923
 1760TIP3    H159109  -1.276   2.385   3.928
 1760TIP3    H259110  -1.351   2.276   3.856
 1760TIP3   OH259111  -1.380   2.227   4.246
 1760TIP3    H159112  -1.390   2.154   4.309
 1760TIP3    H259113  -1.397   2.184   4.161
 1760TIP3   OH259114  -1.027   2.502   4.042
 1760TIP3    H159115  -1.066   2.435   4.101
 1760TIP3    H259116  -0.992   2.562   4.111
 1760TIP3   OH259117  -2.074   2.651   4.245
 1760TIP3    H159118  -2.100   2.559   4.223
 1760TIP3    H259119  -1.979   2.636   4.259
 1760TIP3   OH259120  -2.295   2.235   3.979
 1760TIP3    H159121  -2.279   2.152   4.028
 1760TIP3    H259122  -2.220   2.238   3.920
 1760TIP3   OH259123  -1.339   3.033   4.110
 1760TIP3    H159124  -1.262   2.978   4.086
 1760TIP3    H259125  -1.355   3.009   4.203
 1760TIP3   OH259126  -1.580   2.454   4.279
 1760TIP3    H159127  -1.535   2.390   4.222
 1760TIP3    H259128  -1.501   2.493   4.321
 1760TIP3   OH259129  -1.231   1.931   4.323
 1760TIP3    H159130  -1.189   1.845   4.341
 1760TIP3    H259131  -1.225   1.937   4.225
 1760TIP3   OH259132  -1.925   1.720   4.043
 1760TIP3    H159133  -1.906   1.804   3.997
 1760TIP3    H259134  -1.955   1.667   3.966
 1760TIP3   OH259135  -1.128   1.740   3.872
 1760TIP3    H159136  -1.074   1.692   3.938
 1760TIP3    H259137  -1.059   1.779   3.816
 1761TIP3   OH259138  -2.220   1.981   4.099
 1761TIP3    H159139  -2.179   1.913   4.153
 1761TIP3    H259140  -2.221   1.938   4.011
 1761TIP3   OH259141  -1.716   2.125   4.054
 1761TIP3    H159142  -1.642   2.069   4.083
 1761TIP3    H259143  -1.762   2.067   3.991
 1761TIP3   OH259144  -1.283   2.575   3.793
 1761TIP3    H159145  -1.317   2.550   3.707
 1761TIP3    H259146  -1.329   2.659   3.811
 1761TIP3   OH259147  -0.946   1.651   4.072
 1761TIP3    H159148  -0.985   1.602   4.146
 1761TIP3    H259149  -0.885   1.708   4.121
 1761TIP3   OH259150  -1.997   1.810   4.299
 1761TIP3    H159151  -2.011   1.903   4.277
 1761TIP3    H259152  -1.999   1.766   4.212
 1761TIP3   OH259153  -2.304   2.545   3.625
 1761TIP3    H159154  -2.335   2.595   3.548
 1761TIP3    H259155  -2.294   2.613   3.694
 1761TIP3   OH259156  -0.945   2.634   4.260
 1761TIP3    H159157  -1.018   2.623   4.324
 1761TIP3    H259158  -0.928   2.728   4.275
 1761TIP3   OH259159  -1.624   1.356   4.178
 1761TIP3    H159160  -1.628   1.259   4.183
 1761TIP3    H259161  -1.707   1.380   4.222
 1761TIP3   OH259162  -1.132   2.883   3.965
 1761TIP3    H159163  -1.085   2.804   3.932
 1761TIP3    H259164  -1.067   2.954   3.947
 1761TIP3   OH259165  -0.988   2.669   3.823
 1761TIP3    H159166  -1.042   2.622   3.757
 1761TIP3    H259167  -0.995   2.606   3.898
 1762TIP3   OH259168  -1.409   2.244   3.643
 1762TIP3    H159169  -1.477   2.301   3.602
 1762TIP3    H259170  -1.338   2.246   3.576
 1762TIP3   OH259171  -1.381   2.062   3.348
 1762TIP3    H159172  -1.310   2.092   3.407
 1762TIP3    H259173  -1.332   2.003   3.289
 1762TIP3   OH259174  -1.061   2.242   3.750
 1762TIP3    H159175  -1.126   2.263   3.820
 1762TIP3    H259176  -0.998   2.186   3.800
 1762TIP3   OH259177  -1.894   2.325   3.923
 1762TIP3    H159178  -1.934   2.279   3.846
 1762TIP3    H259179  -1.840   2.254   3.963
 1762TIP3   OH259180  -1.798   2.643   4.152
 1762TIP3    H159181  -1.769   2.592   4.076
 1762TIP3    H259182  -1.721   2.641   4.210
 1762TIP3   OH259183  -1.880   2.202   4.271
 1762TIP3    H159184  -1.812   2.193   4.202
 1762TIP3    H259185  -1.830   2.235   4.346
 1762TIP3   OH259186  -1.163   2.188   3.494
 1762TIP3    H159187  -1.116   2.215   3.575
 1762TIP3    H259188  -1.114   2.240   3.426
 1762TIP3   OH259189  -1.411   2.851   3.851
 1762TIP3    H159190  -1.370   2.876   3.935
 1762TIP3    H259191  -1.474   2.922   3.835
 1762TIP3   OH259192  -0.823   1.364   3.446
 1762TIP3    H159193  -0.909   1.377   3.491
 1762TIP3    H259194  -0.784   1.452   3.454
 1762TIP3   OH259195  -2.007   2.193   3.682
 1762TIP3    H159196  -2.031   2.267   3.624
 1762TIP3    H259197  -2.072   2.126   3.657
 1763TIP3   OH259198  -0.681   2.775   3.299
 1763TIP3    H159199  -0.664   2.868   3.322
 1763TIP3    H259200  -0.595   2.734   3.317
 1763TIP3   OH259201  -2.388   2.738   4.237
 1763TIP3    H159202  -2.292   2.730   4.244
 1763TIP3    H259203  -2.406   2.818   4.288
 1763TIP3   OH259204  -1.480   3.184   3.711
 1763TIP3    H159205  -1.481   3.127   3.632
 1763TIP3    H259206  -1.406   3.241   3.693
 1763TIP3   OH259207  -2.080   3.032   3.864
 1763TIP3    H159208  -2.069   2.984   3.949
 1763TIP3    H259209  -2.162   2.993   3.832
 1763TIP3   OH259210  -1.137   3.061   3.412
 1763TIP3    H159211  -1.077   2.997   3.367
 1763TIP3    H259212  -1.139   3.025   3.503
 1763TIP3   OH259213  -1.194   3.005   3.697
 1763TIP3    H159214  -1.288   3.011   3.718
 1763TIP3    H259215  -1.171   2.932   3.756
 1763TIP3   OH259216  -1.867   1.445   4.291
 1763TIP3    H159217  -1.951   1.435   4.242
 1763TIP3    H259218  -1.863   1.541   4.307
 1763TIP3   OH259219  -1.009   2.295   3.291
 1763TIP3    H159220  -1.027   2.274   3.197
 1763TIP3    H259221  -0.915   2.318   3.287
 1763TIP3   OH259222  -1.442   1.671   3.346
 1763TIP3    H159223  -1.493   1.660   3.428
 1763TIP3    H259224  -1.485   1.604   3.289
 1763TIP3   OH259225  -1.882   1.950   3.883
 1763TIP3    H159226  -1.978   1.946   3.866
 1763TIP3    H259227  -1.848   1.927   3.795
 1764TIP3   OH259228  -1.321   2.007   3.764
 1764TIP3    H159229  -1.362   2.088   3.727
 1764TIP3    H259230  -1.252   1.990   3.697
 1764TIP3   OH259231  -1.241   1.947   4.042
 1764TIP3    H159232  -1.269   2.002   3.967
 1764TIP3    H259233  -1.219   1.865   3.994
 1764TIP3   OH259234  -1.800   1.715   3.234
 1764TIP3    H159235  -1.836   1.682   3.319
 1764TIP3    H259236  -1.880   1.731   3.184
 1764TIP3   OH259237  -2.455   1.681   3.967
 1764TIP3    H159238  -2.387   1.684   4.037
 1764TIP3    H259239  -2.404   1.683   3.885
 1764TIP3   OH259240  -2.317   1.740   3.477
 1764TIP3    H159241  -2.249   1.796   3.436
 1764TIP3    H259242  -2.356   1.805   3.540
 1764TIP3   OH259243  -1.612   1.715   3.984
 1764TIP3    H159244  -1.706   1.702   4.008
 1764TIP3    H259245  -1.567   1.685   4.065
 1764TIP3   OH259246  -2.162   1.845   3.848
 1764TIP3    H159247  -2.245   1.868   3.798
 1764TIP3    H259248  -2.134   1.765   3.801
 1764TIP3   OH259249  -1.785   1.862   3.620
 1764TIP3    H159250  -1.688   1.874   3.626
 1764TIP3    H259251  -1.812   1.924   3.549
 1764TIP3   OH259252  -1.169   1.580   4.273
 1764TIP3    H159253  -1.202   1.606   4.361
 1764TIP3    H259254  -1.249   1.580   4.219
 1764TIP3   OH259255  -1.938   1.988   3.399
 1764TIP3    H159256  -2.000   1.963   3.329
 1764TIP3    H259257  -1.858   2.007   3.347
 1765TIP3   OH259258  -1.515   1.951   4.191
 1765TIP3    H159259  -1.444   1.917   4.134
 1765TIP3    H259260  -1.513   1.887   4.264
 1765TIP3   OH259261  -1.977   1.612   3.790
 1765TIP3    H159262  -2.035   1.535   3.801
 1765TIP3    H259263  -1.901   1.575   3.744
 1765TIP3   OH259264  -1.594   2.450   3.583
 1765TIP3    H159265  -1.668   2.397   3.546
 1765TIP3    H259266  -1.613   2.449   3.679
 1765TIP3   OH259267  -1.175   1.736   3.355
 1765TIP3    H159268  -1.273   1.728   3.356
 1765TIP3    H259269  -1.157   1.804   3.423
 1765TIP3   OH259270  -1.108   1.912   3.563
 1765TIP3    H159271  -1.021   1.895   3.605
 1765TIP3    H259272  -1.095   2.001   3.524
 1765TIP3   OH259273  -2.090   2.362   4.179
 1765TIP3    H159274  -2.038   2.371   4.098
 1765TIP3    H259275  -2.044   2.289   4.222
 1765TIP3   OH259276  -1.354   2.585   3.472
 1765TIP3    H159277  -1.375   2.668   3.517
 1765TIP3    H259278  -1.428   2.528   3.501
 1765TIP3   OH259279  -0.651   1.912   3.542
 1765TIP3    H159280  -0.704   1.891   3.463
 1765TIP3    H259281  -0.637   2.007   3.527
 1765TIP3   OH259282  -0.832   2.773   3.546
 1765TIP3    H159283  -0.851   2.696   3.602
 1765TIP3    H259284  -0.774   2.736   3.478
 1765TIP3   OH259285  -1.114   2.320   4.251
 1765TIP3    H159286  -1.206   2.292   4.266
 1765TIP3    H259287  -1.079   2.244   4.200
 1766TIP3   OH259288  -1.839   2.715   3.860
 1766TIP3    H159289  -1.799   2.801   3.879
 1766TIP3    H259290  -1.933   2.735   3.866
 1766TIP3   OH259291  -2.244   2.200   3.349
 1766TIP3    H159292  -2.185   2.265   3.392
 1766TIP3    H259293  -2.329   2.223   3.388
 1766TIP3   OH259294  -1.658   2.486   3.862
 1766TIP3    H159295  -1.696   2.576   3.861
 1766TIP3    H259296  -1.734   2.434   3.892
 1766TIP3   OH259297  -1.793   3.023   3.808
 1766TIP3    H159298  -1.890   3.019   3.820
 1766TIP3    H259299  -1.769   3.095   3.867
 1766TIP3   OH259300  -1.083   2.616   3.336
 1766TIP3    H159301  -1.041   2.570   3.411
 1766TIP3    H259302  -1.176   2.601   3.360
 1766TIP3   OH259303  -0.610   3.042   3.390
 1766TIP3    H159304  -0.539   3.105   3.370
 1766TIP3    H259305  -0.686   3.102   3.390
 1766TIP3   OH259306  -0.987   2.476   3.574
 1766TIP3    H159307  -1.014   2.404   3.634
 1766TIP3    H259308  -0.890   2.474   3.583
 1766TIP3   OH259309  -1.658   2.721   3.195
 1766TIP3    H159310  -1.631   2.642   3.144
 1766TIP3    H259311  -1.703   2.680   3.271
 1766TIP3   OH259312  -1.772   2.673   3.463
 1766TIP3    H159313  -1.728   2.618   3.529
 1766TIP3    H259314  -1.762   2.763   3.500
 1766TIP3   OH259315  -2.091   2.416   3.503
 1766TIP3    H159316  -2.163   2.453   3.557
 1766TIP3    H259317  -2.045   2.498   3.477
 1767TIP3   OH259318  -1.259   1.607   3.633
 1767TIP3    H159319  -1.243   1.663   3.556
 1767TIP3    H259320  -1.215   1.657   3.704
 1767TIP3   OH259321  -1.477   2.858   3.537
 1767TIP3    H159322  -1.570   2.886   3.536
 1767TIP3    H259323  -1.447   2.882   3.448
 1767TIP3   OH259324  -1.518   1.807   3.727
 1767TIP3    H159325  -1.443   1.866   3.744
 1767TIP3    H259326  -1.550   1.788   3.817
 1767TIP3   OH259327  -1.464   1.507   3.818
 1767TIP3    H159328  -1.477   1.571   3.891
 1767TIP3    H259329  -1.388   1.547   3.771
 1767TIP3   OH259330  -1.756   2.943   3.530
 1767TIP3    H159331  -1.767   3.022   3.473
 1767TIP3    H259332  -1.774   2.979   3.619
 1767TIP3   OH259333  -1.887   1.610   3.476
 1767TIP3    H159334  -1.886   1.687   3.535
 1767TIP3    H259335  -1.806   1.563   3.504
 1767TIP3   OH259336  -1.010   2.088   4.136
 1767TIP3    H159337  -1.089   2.038   4.107
 1767TIP3    H259338  -0.954   2.016   4.172
 1767TIP3   OH259339  -2.047   2.698   3.380
 1767TIP3    H159340  -1.972   2.745   3.421
 1767TIP3    H259341  -1.999   2.646   3.313
 1767TIP3   OH259342  -2.224   1.926   3.274
 1767TIP3    H159343  -2.223   2.015   3.314
 1767TIP3    H259344  -2.318   1.908   3.268
 1767TIP3   OH259345  -0.875   3.054   4.330
 1767TIP3    H159346  -0.932   3.096   4.262
 1767TIP3    H259347  -0.789   3.053   4.286
 1768TIP3   OH259348  -2.144   1.415   4.172
 1768TIP3    H159349  -2.159   1.419   4.075
 1768TIP3    H259350  -2.179   1.328   4.195
 1768TIP3   OH259351  -2.251   2.768   3.799
 1768TIP3    H159352  -2.329   2.819   3.826
 1768TIP3    H259353  -2.216   2.821   3.726
 1768TIP3   OH259354  -1.438   2.888   3.250
 1768TIP3    H159355  -1.513   2.828   3.233
 1768TIP3    H259356  -1.366   2.836   3.209
 1768TIP3   OH259357  -0.974   2.881   3.253
 1768TIP3    H159358  -0.959   2.801   3.307
 1768TIP3    H259359  -0.894   2.884   3.198
 1768TIP3   OH259360  -1.894   2.466   3.227
 1768TIP3    H159361  -1.880   2.405   3.302
 1768TIP3    H259362  -1.808   2.459   3.181
 1768TIP3   OH259363  -1.371   2.597   3.188
 1768TIP3    H159364  -1.375   2.591   3.286
 1768TIP3    H259365  -1.376   2.501   3.166
 1768TIP3   OH259366  -1.783   2.271   3.464
 1768TIP3    H159367  -1.849   2.222   3.516
 1768TIP3    H259368  -1.756   2.203   3.399
 1768TIP3   OH259369  -1.690   2.073   3.287
 1768TIP3    H159370  -1.696   2.081   3.190
 1768TIP3    H259371  -1.594   2.070   3.301
 1768TIP3   OH259372  -0.740   2.318   3.212
 1768TIP3    H159373  -0.763   2.288   3.123
 1768TIP3    H259374  -0.742   2.415   3.198
 1768TIP3   OH259375  -1.712   3.201   3.399
 1768TIP3    H159376  -1.616   3.206   3.403
 1768TIP3    H259377  -1.731   3.241   3.314
 1769TIP3   OH259378  -2.324   2.639   3.346
 1769TIP3    H159379  -2.229   2.655   3.365
 1769TIP3    H259380  -2.320   2.557   3.292
 1769TIP3   OH259381  -2.418   3.153   3.820
 1769TIP3    H159382  -2.494   3.118   3.770
 1769TIP3    H259383  -2.413   3.088   3.894
 1769TIP3   OH259384  -2.383   2.956   4.019
 1769TIP3    H159385  -2.409   2.867   4.048
 1769TIP3    H259386  -2.357   2.992   4.106
 1769TIP3   OH259387  -0.617   3.083   4.271
 1769TIP3    H159388  -0.632   3.084   4.368
 1769TIP3    H259389  -0.524   3.108   4.269
 1769TIP3   OH259390  -0.701   2.463   3.614
 1769TIP3    H159391  -0.610   2.495   3.629
 1769TIP3    H259392  -0.708   2.398   3.687
 1769TIP3   OH259393  -0.652   2.259   3.814
 1769TIP3    H159394  -0.720   2.201   3.854
 1769TIP3    H259395  -0.585   2.266   3.885
 1769TIP3   OH259396  -0.637   2.500   4.341
 1769TIP3    H159397  -0.631   2.432   4.271
 1769TIP3    H259398  -0.693   2.568   4.300
 1769TIP3   OH259399  -0.632   2.201   3.470
 1769TIP3    H159400  -0.679   2.231   3.390
 1769TIP3    H259401  -0.641   2.277   3.528
 1769TIP3   OH259402  -0.814   1.956   3.289
 1769TIP3    H159403  -0.769   2.014   3.225
 1769TIP3    H259404  -0.820   1.873   3.241
 1769TIP3   OH259405  -0.867   2.070   3.890
 1769TIP3    H159406  -0.868   1.974   3.877
 1769TIP3    H259407  -0.900   2.080   3.981
 1770TIP3   OH259408  -2.377   2.256   4.263
 1770TIP3    H159409  -2.345   2.283   4.175
 1770TIP3    H259410  -2.294   2.259   4.314
 1770TIP3   OH259411  -0.836   1.677   3.182
 1770TIP3    H159412  -0.784   1.644   3.259
 1770TIP3    H259413  -0.923   1.639   3.196
 1770TIP3   OH259414  -0.874   1.816   3.711
 1770TIP3    H159415  -0.848   1.722   3.724
 1770TIP3    H259416  -0.793   1.851   3.669
 1770TIP3   OH259417  -0.853   1.891   4.221
 1770TIP3    H159418  -0.759   1.871   4.234
 1770TIP3    H259419  -0.892   1.856   4.303
 1770TIP3   OH259420  -0.823   1.538   3.732
 1770TIP3    H159421  -0.806   1.495   3.817
 1770TIP3    H259422  -0.903   1.489   3.702
 1770TIP3   OH259423  -2.298   1.668   4.204
 1770TIP3    H159424  -2.265   1.577   4.213
 1770TIP3    H259425  -2.240   1.716   4.264
 1770TIP3   OH259426  -2.462   1.959   4.304
 1770TIP3    H159427  -2.422   1.923   4.223
 1770TIP3    H259428  -2.434   2.053   4.296
 1770TIP3   OH259429  -0.633   1.602   3.366
 1770TIP3    H159430  -0.602   1.516   3.333
 1770TIP3    H259431  -0.550   1.643   3.394
 1770TIP3   OH259432  -2.401   1.554   3.680
 1770TIP3    H159433  -2.497   1.570   3.681
 1770TIP3    H259434  -2.368   1.629   3.628
 1770TIP3   OH259435  -0.943   3.094   3.908
 1770TIP3    H159436  -0.904   3.068   3.823
 1770TIP3    H259437  -0.866   3.131   3.953
 1771TIP3   OH259438  -2.240   2.992   4.262
 1771TIP3    H159439  -2.204   2.996   4.353
 1771TIP3    H259440  -2.156   2.974   4.214
 1771TIP3   OH259441  -2.016   2.904   4.113
 1771TIP3    H159442  -2.030   2.812   4.142
 1771TIP3    H259443  -1.927   2.922   4.150
 1771TIP3   OH259444  -1.750   2.957   4.210
 1771TIP3    H159445  -1.714   2.869   4.190
 1771TIP3    H259446  -1.736   2.961   4.305
 1771TIP3   OH259447  -1.415   1.553   4.127
 1771TIP3    H159448  -1.475   1.482   4.154
 1771TIP3    H259449  -1.348   1.504   4.076
 1771TIP3   OH259450  -0.886   1.346   4.090
 1771TIP3    H159451  -0.815   1.410   4.109
 1771TIP3    H259452  -0.967   1.398   4.105
 1771TIP3   OH259453  -2.175   1.416   3.888
 1771TIP3    H159454  -2.261   1.405   3.843
 1771TIP3    H259455  -2.134   1.330   3.872
 1771TIP3   OH259456  -2.296   1.366   3.476
 1771TIP3    H159457  -2.247   1.433   3.425
 1771TIP3    H259458  -2.336   1.421   3.546
 1771TIP3   OH259459  -1.725   1.392   3.891
 1771TIP3    H159460  -1.636   1.426   3.873
 1771TIP3    H259461  -1.723   1.382   3.987
 1771TIP3   OH259462  -1.181   1.409   4.006
 1771TIP3    H159463  -1.144   1.382   3.921
 1771TIP3    H259464  -1.204   1.323   4.046
 1771TIP3   OH259465  -1.055   1.405   3.617
 1771TIP3    H159466  -1.138   1.455   3.604
 1771TIP3    H259467  -1.090   1.316   3.634
 1772TIP3   OH259468  -2.274   2.961   3.592
 1772TIP3    H159469  -2.339   2.947   3.522
 1772TIP3    H259470  -2.280   3.057   3.603
 1772TIP3   OH259471  -2.119   1.542   3.316
 1772TIP3    H159472  -2.055   1.489   3.267
 1772TIP3    H259473  -2.065   1.577   3.389
 1772TIP3   OH259474  -1.614   1.564   3.582
 1772TIP3    H159475  -1.578   1.509   3.653
 1772TIP3    H259476  -1.596   1.652   3.619
 1772TIP3   OH259477  -1.410   3.148   3.404
 1772TIP3    H159478  -1.313   3.145   3.402
 1772TIP3    H259479  -1.431   3.076   3.343
 1772TIP3   OH259480  -0.762   3.046   3.665
 1772TIP3    H159481  -0.783   2.962   3.618
 1772TIP3    H259482  -0.761   3.109   3.590
 1772TIP3   OH259483  -2.132   3.058   3.272
 1772TIP3    H159484  -2.158   3.082   3.362
 1772TIP3    H259485  -2.058   2.997   3.288
 1772TIP3   OH259486   0.602   2.288   3.924
 1772TIP3    H159487   0.610   2.385   3.928
 1772TIP3    H259488   0.536   2.277   3.855
 1772TIP3   OH259489   0.502   2.227   4.247
 1772TIP3    H159490   0.494   2.151   4.306
 1772TIP3    H259491   0.490   2.187   4.160
 1772TIP3   OH259492   0.857   2.503   4.040
 1772TIP3    H159493   0.817   2.436   4.098
 1772TIP3    H259494   0.892   2.562   4.109
 1772TIP3   OH259495  -0.192   2.643   4.246
 1772TIP3    H159496  -0.207   2.552   4.214
 1772TIP3    H259497  -0.095   2.637   4.257
 1773TIP3   OH259498  -0.495   2.003   3.783
 1773TIP3    H159499  -0.540   2.088   3.783
 1773TIP3    H259500  -0.561   1.945   3.741
 1773TIP3   OH259501  -0.414   2.236   3.981
 1773TIP3    H159502  -0.394   2.150   4.023
 1773TIP3    H259503  -0.336   2.247   3.925
 1773TIP3   OH259504   0.561   3.043   4.112
 1773TIP3    H159505   0.625   2.976   4.083
 1773TIP3    H259506   0.536   3.013   4.201
 1773TIP3   OH259507   0.305   2.456   4.279
 1773TIP3    H159508   0.347   2.390   4.222
 1773TIP3    H259509   0.386   2.492   4.320
 1773TIP3   OH259510   0.654   1.930   4.323
 1773TIP3    H159511   0.695   1.844   4.339
 1773TIP3    H259512   0.659   1.938   4.226
 1773TIP3   OH259513  -0.023   1.714   4.036
 1773TIP3    H159514  -0.017   1.802   3.996
 1773TIP3    H259515  -0.061   1.663   3.963
 1773TIP3   OH259516   0.756   1.742   3.872
 1773TIP3    H159517   0.813   1.695   3.938
 1773TIP3    H259518   0.824   1.781   3.815
 1773TIP3   OH259519  -0.344   1.983   4.099
 1773TIP3    H159520  -0.298   1.919   4.153
 1773TIP3    H259521  -0.341   1.940   4.012
 1773TIP3   OH259522   0.167   2.125   4.057
 1773TIP3    H159523   0.243   2.070   4.083
 1773TIP3    H259524   0.124   2.068   3.991
 1773TIP3   OH259525   0.599   2.573   3.794
 1773TIP3    H159526   0.572   2.553   3.704
 1773TIP3    H259527   0.555   2.658   3.810
 1774TIP3   OH259528   0.937   1.659   4.072
 1774TIP3    H159529   0.903   1.595   4.137
 1774TIP3    H259530   0.988   1.718   4.130
 1774TIP3   OH259531  -0.113   1.796   4.299
 1774TIP3    H159532  -0.168   1.875   4.297
 1774TIP3    H259533  -0.144   1.744   4.223
 1774TIP3   OH259534  -0.428   2.546   3.628
 1774TIP3    H159535  -0.442   2.595   3.545
 1774TIP3    H259536  -0.408   2.616   3.693
 1774TIP3   OH259537   0.932   2.634   4.259
 1774TIP3    H159538   0.867   2.625   4.332
 1774TIP3    H259539   0.995   2.695   4.298
 1774TIP3   OH259540   0.261   1.358   4.184
 1774TIP3    H159541   0.255   1.262   4.183
 1774TIP3    H259542   0.174   1.383   4.221
 1774TIP3   OH259543   0.752   2.884   3.965
 1774TIP3    H159544   0.798   2.804   3.934
 1774TIP3    H259545   0.819   2.953   3.945
 1774TIP3   OH259546   0.896   2.670   3.823
 1774TIP3    H159547   0.846   2.622   3.755
 1774TIP3    H259548   0.890   2.606   3.897
 1774TIP3   OH259549   0.476   2.245   3.643
 1774TIP3    H159550   0.410   2.300   3.599
 1774TIP3    H259551   0.548   2.244   3.577
 1774TIP3   OH259552   0.503   2.060   3.348
 1774TIP3    H159553   0.575   2.092   3.405
 1774TIP3    H259554   0.553   2.003   3.287
 1774TIP3   OH259555   0.826   2.243   3.750
 1774TIP3    H159556   0.760   2.264   3.819
 1774TIP3    H259557   0.887   2.186   3.800
 1775TIP3   OH259558  -0.015   2.323   3.926
 1775TIP3    H159559  -0.049   2.277   3.846
 1775TIP3    H259560   0.045   2.256   3.963
 1775TIP3   OH259561   0.084   2.634   4.158
 1775TIP3    H159562   0.110   2.599   4.072
 1775TIP3    H259563   0.167   2.631   4.207
 1775TIP3   OH259564   0.007   2.213   4.272
 1775TIP3    H159565   0.070   2.189   4.201
 1775TIP3    H259566   0.066   2.227   4.346
 1775TIP3   OH259567   0.721   2.189   3.494
 1775TIP3    H159568   0.770   2.214   3.575
 1775TIP3    H259569   0.771   2.239   3.425
 1775TIP3   OH259570   0.467   2.847   3.853
 1775TIP3    H159571   0.515   2.880   3.930
 1775TIP3    H259572   0.418   2.926   3.823
 1775TIP3   OH259573   1.067   1.361   3.444
 1775TIP3    H159574   0.979   1.370   3.484
 1775TIP3    H259575   1.101   1.452   3.450
 1775TIP3   OH259576  -0.126   2.199   3.686
 1775TIP3    H159577  -0.142   2.268   3.620
 1775TIP3    H259578  -0.181   2.126   3.653
 1775TIP3   OH259579   1.204   2.774   3.298
 1775TIP3    H159580   1.220   2.868   3.322
 1775TIP3    H259581   1.291   2.734   3.317
 1775TIP3   OH259582  -0.480   2.734   4.285
 1775TIP3    H159583  -0.393   2.736   4.242
 1775TIP3    H259584  -0.504   2.828   4.278
 1775TIP3   OH259585   0.422   3.118   3.699
 1775TIP3    H159586   0.423   3.130   3.603
 1775TIP3    H259587   0.424   3.209   3.732
 1776TIP3   OH259588  -0.198   3.033   3.862
 1776TIP3    H159589  -0.181   2.987   3.946
 1776TIP3    H259590  -0.281   2.993   3.833
 1776TIP3   OH259591   0.752   3.060   3.417
 1776TIP3    H159592   0.810   2.995   3.373
 1776TIP3    H259593   0.747   3.023   3.508
 1776TIP3   OH259594   0.692   3.004   3.698
 1776TIP3    H159595   0.596   3.019   3.713
 1776TIP3    H259596   0.707   2.931   3.760
 1776TIP3   OH259597   0.013   1.446   4.283
 1776TIP3    H159598  -0.072   1.432   4.235
 1776TIP3    H259599   0.011   1.541   4.301
 1776TIP3   OH259600   0.878   2.297   3.296
 1776TIP3    H159601   0.856   2.277   3.203
 1776TIP3    H259602   0.973   2.318   3.289
 1776TIP3   OH259603   0.431   1.655   3.325
 1776TIP3    H159604   0.380   1.639   3.405
 1776TIP3    H259605   0.392   1.588   3.264
 1776TIP3   OH259606   0.006   1.956   3.882
 1776TIP3    H159607  -0.089   1.941   3.866
 1776TIP3    H259608   0.042   1.929   3.795
 1776TIP3   OH259609   0.567   2.008   3.764
 1776TIP3    H159610   0.524   2.088   3.726
 1776TIP3    H259611   0.634   1.988   3.697
 1776TIP3   OH259612   0.644   1.947   4.042
 1776TIP3    H159613   0.617   2.002   3.966
 1776TIP3    H259614   0.667   1.865   3.994
 1776TIP3   OH259615   0.064   1.745   3.258
 1776TIP3    H159616   0.056   1.666   3.314
 1776TIP3    H259617   0.040   1.711   3.171
 1777TIP3   OH259618  -0.535   1.717   3.948
 1777TIP3    H159619  -0.539   1.673   4.035
 1777TIP3    H259620  -0.527   1.640   3.890
 1777TIP3   OH259621  -0.415   1.748   3.511
 1777TIP3    H159622  -0.356   1.796   3.449
 1777TIP3    H259623  -0.480   1.817   3.532
 1777TIP3   OH259624   0.275   1.714   3.985
 1777TIP3    H159625   0.180   1.704   4.006
 1777TIP3    H259626   0.316   1.684   4.068
 1777TIP3   OH259627  -0.255   1.839   3.848
 1777TIP3    H159628  -0.346   1.851   3.817
 1777TIP3    H259629  -0.230   1.753   3.808
 1777TIP3   OH259630   0.101   1.870   3.625
 1777TIP3    H159631   0.198   1.870   3.626
 1777TIP3    H259632   0.078   1.921   3.546
 1777TIP3   OH259633   0.721   1.584   4.277
 1777TIP3    H159634   0.681   1.606   4.362
 1777TIP3    H259635   0.643   1.577   4.219
 1777TIP3   OH259636  -0.057   1.997   3.398
 1777TIP3    H159637  -0.110   1.954   3.330
 1777TIP3    H259638   0.028   2.006   3.351
 1777TIP3   OH259639   0.371   1.952   4.194
 1777TIP3    H159640   0.438   1.918   4.133
 1777TIP3    H259641   0.373   1.884   4.263
 1777TIP3   OH259642  -0.092   1.602   3.792
 1777TIP3    H159643  -0.148   1.523   3.802
 1777TIP3    H259644  -0.018   1.569   3.740
 1777TIP3   OH259645   0.289   2.452   3.581
 1777TIP3    H159646   0.216   2.397   3.546
 1777TIP3    H259647   0.275   2.447   3.678
 1778TIP3   OH259648   0.698   1.728   3.362
 1778TIP3    H159649   0.601   1.725   3.352
 1778TIP3    H259650   0.715   1.804   3.420
 1778TIP3   OH259651   0.775   1.914   3.566
 1778TIP3    H159652   0.864   1.895   3.602
 1778TIP3    H259653   0.789   1.998   3.520
 1778TIP3   OH259654  -0.205   2.364   4.177
 1778TIP3    H159655  -0.152   2.369   4.097
 1778TIP3    H259656  -0.157   2.292   4.223
 1778TIP3   OH259657   0.533   2.584   3.475
 1778TIP3    H159658   0.506   2.670   3.513
 1778TIP3    H259659   0.459   2.528   3.501
 1778TIP3   OH259660   1.236   1.911   3.540
 1778TIP3    H159661   1.181   1.891   3.461
 1778TIP3    H259662   1.248   2.007   3.525
 1778TIP3   OH259663   1.057   2.774   3.548
 1778TIP3    H159664   1.034   2.696   3.602
 1778TIP3    H259665   1.111   2.736   3.477
 1778TIP3   OH259666   0.769   2.322   4.249
 1778TIP3    H159667   0.678   2.291   4.267
 1778TIP3    H259668   0.807   2.247   4.201
 1778TIP3   OH259669   0.045   2.714   3.874
 1778TIP3    H159670   0.087   2.801   3.873
 1778TIP3    H259671  -0.048   2.737   3.860
 1778TIP3   OH259672  -0.357   2.199   3.352
 1778TIP3    H159673  -0.296   2.263   3.392
 1778TIP3    H259674  -0.443   2.228   3.386
 1778TIP3   OH259675   0.228   2.485   3.867
 1778TIP3    H159676   0.194   2.575   3.862
 1778TIP3    H259677   0.150   2.435   3.894
 1779TIP3   OH259678   0.089   3.006   3.814
 1779TIP3    H159679  -0.006   3.023   3.819
 1779TIP3    H259680   0.126   3.093   3.839
 1779TIP3   OH259681   0.802   2.617   3.337
 1779TIP3    H159682   0.845   2.570   3.411
 1779TIP3    H259683   0.709   2.601   3.361
 1779TIP3   OH259684   1.277   3.041   3.390
 1779TIP3    H159685   1.346   3.106   3.368
 1779TIP3    H259686   1.199   3.101   3.390
 1779TIP3   OH259687   0.899   2.479   3.576
 1779TIP3    H159688   0.872   2.405   3.633
 1779TIP3    H259689   0.996   2.474   3.583
 1779TIP3   OH259690   0.226   2.721   3.193
 1779TIP3    H159691   0.255   2.642   3.144
 1779TIP3    H259692   0.184   2.679   3.271
 1779TIP3   OH259693   0.108   2.672   3.466
 1779TIP3    H159694   0.163   2.618   3.526
 1779TIP3    H259695   0.126   2.763   3.499
 1779TIP3   OH259696  -0.207   2.416   3.502
 1779TIP3    H159697  -0.277   2.455   3.558
 1779TIP3    H259698  -0.157   2.495   3.477
 1779TIP3   OH259699   0.623   1.608   3.634
 1779TIP3    H159700   0.643   1.656   3.552
 1779TIP3    H259701   0.671   1.658   3.701
 1779TIP3   OH259702   0.406   2.835   3.528
 1779TIP3    H159703   0.324   2.884   3.545
 1779TIP3    H259704   0.442   2.881   3.452
 1779TIP3   OH259705   0.366   1.808   3.727
 1779TIP3    H159706   0.444   1.865   3.744
 1779TIP3    H259707   0.335   1.789   3.817
 1780TIP3   OH259708   0.423   1.507   3.821
 1780TIP3    H159709   0.408   1.576   3.888
 1780TIP3    H259710   0.497   1.547   3.770
 1780TIP3   OH259711   0.125   2.942   3.528
 1780TIP3    H159712   0.120   3.024   3.474
 1780TIP3    H259713   0.113   2.977   3.618
 1780TIP3   OH259714  -0.010   1.598   3.487
 1780TIP3    H159715   0.000   1.683   3.531
 1780TIP3    H259716   0.076   1.556   3.503
 1780TIP3   OH259717   0.874   2.087   4.139
 1780TIP3    H159718   0.796   2.039   4.107
 1780TIP3    H259719   0.931   2.014   4.171
 1780TIP3   OH259720  -0.163   2.697   3.381
 1780TIP3    H159721  -0.088   2.744   3.421
 1780TIP3    H259722  -0.114   2.646   3.314
 1780TIP3   OH259723  -0.353   1.923   3.302
 1780TIP3    H159724  -0.336   2.017   3.322
 1780TIP3    H259725  -0.439   1.925   3.261
 1780TIP3   OH259726   1.008   3.058   4.322
 1780TIP3    H159727   0.947   3.061   4.247
 1780TIP3    H259728   1.093   3.032   4.283
 1780TIP3   OH259729  -0.237   1.421   4.166
 1780TIP3    H159730  -0.278   1.449   4.083
 1780TIP3    H259731  -0.315   1.386   4.213
 1780TIP3   OH259732  -0.368   2.768   3.802
 1780TIP3    H159733  -0.446   2.823   3.819
 1780TIP3    H259734  -0.325   2.816   3.731
 1780TIP3   OH259735   0.448   2.891   3.244
 1780TIP3    H159736   0.373   2.828   3.234
 1780TIP3    H259737   0.520   2.836   3.207
 1781TIP3   OH259738   0.912   2.882   3.255
 1781TIP3    H159739   0.925   2.800   3.306
 1781TIP3    H259740   0.992   2.884   3.199
 1781TIP3   OH259741  -0.009   2.464   3.227
 1781TIP3    H159742   0.007   2.404   3.302
 1781TIP3    H259743   0.077   2.459   3.181
 1781TIP3   OH259744   0.513   2.598   3.190
 1781TIP3    H159745   0.511   2.592   3.287
 1781TIP3    H259746   0.511   2.502   3.168
 1781TIP3   OH259747   0.100   2.274   3.464
 1781TIP3    H159748   0.040   2.218   3.516
 1781TIP3    H259749   0.132   2.209   3.398
 1781TIP3   OH259750   0.197   2.081   3.291
 1781TIP3    H159751   0.190   2.069   3.195
 1781TIP3    H259752   0.293   2.069   3.305
 1781TIP3   OH259753   1.146   2.325   3.220
 1781TIP3    H159754   1.138   2.281   3.134
 1781TIP3    H259755   1.136   2.419   3.193
 1781TIP3   OH259756   0.171   3.196   3.396
 1781TIP3    H159757   0.267   3.208   3.409
 1781TIP3    H259758   0.159   3.242   3.312
 1781TIP3   OH259759  -0.437   2.636   3.351
 1781TIP3    H159760  -0.342   2.656   3.364
 1781TIP3    H259761  -0.434   2.558   3.292
 1781TIP3   OH259762  -0.536   3.155   3.822
 1781TIP3    H159763  -0.609   3.118   3.769
 1781TIP3    H259764  -0.527   3.088   3.893
 1781TIP3   OH259765  -0.498   2.958   4.018
 1781TIP3    H159766  -0.528   2.869   4.041
 1781TIP3    H259767  -0.469   2.990   4.105
 1782TIP3   OH259768   1.278   3.096   4.271
 1782TIP3    H159769   1.256   3.086   4.365
 1782TIP3    H259770   1.375   3.098   4.276
 1782TIP3   OH259771   1.185   2.463   3.614
 1782TIP3    H159772   1.276   2.494   3.630
 1782TIP3    H259773   1.176   2.398   3.686
 1782TIP3   OH259774   1.235   2.257   3.813
 1782TIP3    H159775   1.165   2.202   3.854
 1782TIP3    H259776   1.300   2.268   3.886
 1782TIP3   OH259777   1.207   2.491   4.332
 1782TIP3    H159778   1.265   2.439   4.275
 1782TIP3    H259779   1.206   2.577   4.288
 1782TIP3   OH259780   1.256   2.203   3.470
 1782TIP3    H159781   1.205   2.230   3.391
 1782TIP3    H259782   1.244   2.280   3.527
 1782TIP3   OH259783   1.084   1.960   3.295
 1782TIP3    H159784   1.111   2.016   3.221
 1782TIP3    H259785   1.059   1.877   3.250
 1782TIP3   OH259786   1.023   2.072   3.893
 1782TIP3    H159787   1.018   1.977   3.876
 1782TIP3    H259788   0.986   2.080   3.983
 1782TIP3   OH259789  -0.493   2.278   4.255
 1782TIP3    H159790  -0.452   2.282   4.166
 1782TIP3    H259791  -0.417   2.255   4.312
 1782TIP3   OH259792   1.028   1.695   3.218
 1782TIP3    H159793   1.086   1.641   3.275
 1782TIP3    H259794   0.949   1.639   3.206
 1782TIP3   OH259795   1.012   1.822   3.712
 1782TIP3    H159796   1.035   1.726   3.716
 1782TIP3    H259797   1.092   1.857   3.669
 1783TIP3   OH259798   1.035   1.890   4.219
 1783TIP3    H159799   1.130   1.887   4.235
 1783TIP3    H259800   0.997   1.868   4.306
 1783TIP3   OH259801   1.058   1.543   3.707
 1783TIP3    H159802   1.069   1.508   3.797
 1783TIP3    H259803   0.979   1.493   3.677
 1783TIP3   OH259804  -0.574   1.955   4.304
 1783TIP3    H159805  -0.536   1.912   4.225
 1783TIP3    H259806  -0.543   2.046   4.292
 1783TIP3   OH259807   1.256   1.590   3.375
 1783TIP3    H159808   1.286   1.509   3.329
 1783TIP3    H259809   1.338   1.641   3.381
 1783TIP3   OH259810  -0.515   1.538   3.662
 1783TIP3    H159811  -0.607   1.562   3.683
 1783TIP3    H259812  -0.477   1.620   3.626
 1783TIP3   OH259813   0.945   3.088   3.907
 1783TIP3    H159814   0.987   3.062   3.823
 1783TIP3    H259815   1.018   3.135   3.949
 1783TIP3   OH259816  -0.356   2.986   4.259
 1783TIP3    H159817  -0.321   2.999   4.350
 1783TIP3    H259818  -0.271   2.971   4.213
 1783TIP3   OH259819  -0.133   2.905   4.116
 1783TIP3    H159820  -0.139   2.811   4.139
 1783TIP3    H259821  -0.041   2.926   4.145
 1783TIP3   OH259822   0.130   2.951   4.213
 1783TIP3    H159823   0.168   2.867   4.184
 1783TIP3    H259824   0.149   2.948   4.308
 1783TIP3   OH259825   0.473   1.552   4.132
 1783TIP3    H159826   0.410   1.481   4.156
 1783TIP3    H259827   0.536   1.504   4.075
 1784TIP3   OH259828   0.979   1.359   4.165
 1784TIP3    H159829   1.043   1.395   4.102
 1784TIP3    H259830   0.894   1.374   4.121
 1784TIP3   OH259831   1.178   1.460   3.968
 1784TIP3    H159832   1.247   1.414   3.918
 1784TIP3    H259833   1.212   1.552   3.970
 1784TIP3   OH259834  -0.297   1.417   3.874
 1784TIP3    H159835  -0.391   1.401   3.850
 1784TIP3    H259836  -0.261   1.327   3.877
 1784TIP3   OH259837  -0.419   1.370   3.463
 1784TIP3    H159838  -0.355   1.433   3.425
 1784TIP3    H259839  -0.449   1.421   3.542
 1784TIP3   OH259840   0.163   1.386   3.889
 1784TIP3    H159841   0.250   1.426   3.873
 1784TIP3    H259842   0.160   1.385   3.986
 1784TIP3   OH259843   0.712   1.405   4.009
 1784TIP3    H159844   0.744   1.383   3.921
 1784TIP3    H259845   0.680   1.319   4.041
 1784TIP3   OH259846   0.826   1.403   3.618
 1784TIP3    H159847   0.743   1.452   3.601
 1784TIP3    H259848   0.793   1.312   3.628
 1784TIP3   OH259849  -0.393   2.960   3.595
 1784TIP3    H159850  -0.454   2.949   3.521
 1784TIP3    H259851  -0.392   3.056   3.603
 1784TIP3   OH259852  -0.235   1.551   3.313
 1784TIP3    H159853  -0.174   1.493   3.263
 1784TIP3    H259854  -0.175   1.583   3.384
 1784TIP3   OH259855   0.270   1.563   3.584
 1784TIP3    H159856   0.309   1.509   3.655
 1784TIP3    H259857   0.293   1.651   3.615
 1785TIP3   OH259858   0.476   3.144   3.404
 1785TIP3    H159859   0.573   3.145   3.401
 1785TIP3    H259860   0.457   3.077   3.337
 1785TIP3   OH259861   1.125   3.046   3.664
 1785TIP3    H159862   1.103   2.961   3.621
 1785TIP3    H259863   1.123   3.107   3.589
 1785TIP3   OH259864  -0.249   3.055   3.273
 1785TIP3    H159865  -0.269   3.083   3.363
 1785TIP3    H259866  -0.170   2.998   3.286
 1785TIP3   OH259867   2.479   2.291   3.935
 1785TIP3    H159868   2.494   2.386   3.926
 1785TIP3    H259869   2.424   2.272   3.858
 1785TIP3   OH259870   2.368   2.199   4.253
 1785TIP3    H159871   2.432   2.132   4.283
 1785TIP3    H259872   2.388   2.202   4.158
 1785TIP3   OH259873   2.743   2.505   4.038
 1785TIP3    H159874   2.703   2.436   4.095
 1785TIP3    H259875   2.777   2.563   4.109
 1785TIP3   OH259876   1.702   2.648   4.253
 1785TIP3    H159877   1.673   2.558   4.226
 1785TIP3    H259878   1.798   2.634   4.247
 1785TIP3   OH259879   1.392   2.002   3.783
 1785TIP3    H159880   1.347   2.088   3.783
 1785TIP3    H259881   1.326   1.947   3.738
 1785TIP3   OH259882   1.473   2.238   3.980
 1785TIP3    H159883   1.490   2.154   4.026
 1785TIP3    H259884   1.548   2.244   3.921
 1785TIP3   OH259885   2.448   3.044   4.112
 1785TIP3    H159886   2.511   2.976   4.084
 1785TIP3    H259887   2.421   3.014   4.201
 1786TIP3   OH259888   2.190   2.450   4.286
 1786TIP3    H159889   2.231   2.398   4.216
 1786TIP3    H259890   2.272   2.492   4.323
 1786TIP3   OH259891   2.533   1.942   4.326
 1786TIP3    H159892   2.569   1.855   4.351
 1786TIP3    H259893   2.540   1.938   4.229
 1786TIP3   OH259894   1.845   1.720   4.044
 1786TIP3    H159895   1.875   1.799   3.996
 1786TIP3    H259896   1.821   1.663   3.969
 1786TIP3   OH259897   2.659   1.781   3.872
 1786TIP3    H159898   2.688   1.706   3.928
 1786TIP3    H259899   2.731   1.786   3.808
 1786TIP3   OH259900   1.554   1.985   4.100
 1786TIP3    H159901   1.591   1.912   4.152
 1786TIP3    H259902   1.550   1.943   4.012
 1786TIP3   OH259903   2.052   2.121   4.052
 1786TIP3    H159904   2.130   2.065   4.066
 1786TIP3    H259905   2.005   2.068   3.985
 1786TIP3   OH259906   2.488   2.576   3.793
 1786TIP3    H159907   2.455   2.550   3.706
 1786TIP3    H259908   2.441   2.659   3.810
 1786TIP3   OH259909   2.834   1.657   4.068
 1786TIP3    H159910   2.795   1.589   4.124
 1786TIP3    H259911   2.871   1.716   4.136
 1786TIP3   OH259912   1.770   1.803   4.294
 1786TIP3    H159913   1.751   1.896   4.276
 1786TIP3    H259914   1.774   1.763   4.205
 1786TIP3   OH259915   1.461   2.545   3.627
 1786TIP3    H159916   1.442   2.594   3.545
 1786TIP3    H259917   1.477   2.616   3.692
 1787TIP3   OH259918   2.815   2.637   4.258
 1787TIP3    H159919   2.752   2.626   4.333
 1787TIP3    H259920   2.883   2.692   4.298
 1787TIP3   OH259921   2.159   1.370   4.199
 1787TIP3    H159922   2.169   1.276   4.180
 1787TIP3    H259923   2.066   1.380   4.223
 1787TIP3   OH259924   2.637   2.884   3.967
 1787TIP3    H159925   2.683   2.804   3.935
 1787TIP3    H259926   2.703   2.953   3.945
 1787TIP3   OH259927   2.783   2.670   3.818
 1787TIP3    H159928   2.727   2.620   3.756
 1787TIP3    H259929   2.779   2.609   3.895
 1787TIP3   OH259930   2.362   2.250   3.643
 1787TIP3    H159931   2.294   2.300   3.595
 1787TIP3    H259932   2.433   2.244   3.577
 1787TIP3   OH259933   2.389   2.063   3.349
 1787TIP3    H159934   2.461   2.092   3.407
 1787TIP3    H259935   2.436   2.001   3.291
 1787TIP3   OH259936   2.712   2.244   3.750
 1787TIP3    H159937   2.646   2.262   3.819
 1787TIP3    H259938   2.772   2.183   3.797
 1787TIP3   OH259939   1.869   2.320   3.929
 1787TIP3    H159940   1.833   2.280   3.847
 1787TIP3    H259941   1.933   2.253   3.957
 1787TIP3   OH259942   1.969   2.626   4.163
 1787TIP3    H159943   1.992   2.601   4.072
 1787TIP3    H259944   2.056   2.639   4.204
 1787TIP3   OH259945   1.975   2.185   4.314
 1787TIP3    H159946   1.968   2.188   4.217
 1787TIP3    H259947   1.922   2.264   4.339
 1788TIP3   OH259948   2.606   2.190   3.494
 1788TIP3    H159949   2.655   2.214   3.575
 1788TIP3    H259950   2.656   2.242   3.426
 1788TIP3   OH259951   2.356   2.848   3.852
 1788TIP3    H159952   2.402   2.882   3.930
 1788TIP3    H259953   2.306   2.925   3.822
 1788TIP3   OH259954   2.951   1.359   3.447
 1788TIP3    H159955   2.860   1.369   3.481
 1788TIP3    H259956   2.984   1.450   3.453
 1788TIP3   OH259957   1.759   2.199   3.686
 1788TIP3    H159958   1.742   2.270   3.621
 1788TIP3    H259959   1.704   2.128   3.652
 1788TIP3   OH259960   3.099   2.784   3.292
 1788TIP3    H159961   3.111   2.872   3.332
 1788TIP3    H259962   3.182   2.738   3.315
 1788TIP3   OH259963   1.384   2.736   4.241
 1788TIP3    H159964   1.481   2.734   4.244
 1788TIP3    H259965   1.364   2.819   4.285
 1788TIP3   OH259966   2.311   3.120   3.701
 1788TIP3    H159967   2.302   3.130   3.606
 1788TIP3    H259968   2.310   3.211   3.733
 1788TIP3   OH259969   1.689   3.033   3.862
 1788TIP3    H159970   1.702   2.986   3.947
 1788TIP3    H259971   1.605   2.993   3.832
 1788TIP3   OH259972   2.638   3.053   3.409
 1788TIP3    H159973   2.669   2.970   3.368
 1788TIP3    H259974   2.629   3.026   3.503
 1788TIP3   OH259975   2.579   3.010   3.693
 1788TIP3    H159976   2.484   3.026   3.710
 1788TIP3    H259977   2.594   2.937   3.754
 1789TIP3   OH259978   1.904   1.451   4.294
 1789TIP3    H159979   1.826   1.425   4.243
 1789TIP3    H259980   1.892   1.546   4.304
 1789TIP3   OH259981   2.764   2.302   3.296
 1789TIP3    H159982   2.740   2.279   3.204
 1789TIP3    H259983   2.860   2.316   3.286
 1789TIP3   OH259984   2.326   1.673   3.345
 1789TIP3    H159985   2.283   1.657   3.431
 1789TIP3    H259986   2.286   1.603   3.291
 1789TIP3   OH259987   1.892   1.957   3.883
 1789TIP3    H159988   1.797   1.940   3.866
 1789TIP3    H259989   1.930   1.929   3.796
 1789TIP3   OH259990   2.456   2.017   3.771
 1789TIP3    H159991   2.408   2.087   3.723
 1789TIP3    H259992   2.519   1.986   3.704
 1789TIP3   OH259993   2.525   1.954   4.044
 1789TIP3    H159994   2.501   2.001   3.961
 1789TIP3    H259995   2.554   1.870   4.001
 1789TIP3   OH259996   1.971   1.720   3.236
 1789TIP3    H159997   1.936   1.682   3.319
 1789TIP3    H259998   1.891   1.730   3.182
 1789TIP3   OH259999   1.318   1.709   3.945
 1789TIP3    H160000   1.377   1.698   4.021
 1789TIP3    H260001   1.365   1.666   3.872
 1789TIP3   OH260002   1.475   1.749   3.515
 1789TIP3    H160003   1.528   1.796   3.448
 1789TIP3    H260004   1.403   1.813   3.530
 1789TIP3   OH260005   2.161   1.729   4.008
 1789TIP3    H160006   2.076   1.684   4.008
 1789TIP3    H260007   2.219   1.660   4.045
 1790TIP3   OH260008   1.623   1.834   3.854
 1790TIP3    H160009   1.541   1.857   3.807
 1790TIP3    H260010   1.653   1.754   3.807
 1790TIP3   OH260011   1.985   1.870   3.626
 1790TIP3    H160012   2.082   1.867   3.632
 1790TIP3    H260013   1.968   1.924   3.547
 1790TIP3   OH260014   2.581   1.606   4.256
 1790TIP3    H160015   2.528   1.597   4.336
 1790TIP3    H260016   2.526   1.563   4.188
 1790TIP3   OH260017   1.831   1.993   3.399
 1790TIP3    H160018   1.772   1.961   3.329
 1790TIP3    H260019   1.913   2.009   3.348
 1790TIP3   OH260020   2.260   1.933   4.207
 1790TIP3    H160021   2.310   1.913   4.126
 1790TIP3    H260022   2.275   1.850   4.256
 1790TIP3   OH260023   1.801   1.605   3.788
 1790TIP3    H160024   1.746   1.526   3.799
 1790TIP3    H260025   1.881   1.569   3.748
 1790TIP3   OH260026   2.172   2.455   3.581
 1790TIP3    H160027   2.101   2.398   3.544
 1790TIP3    H260028   2.161   2.444   3.677
 1790TIP3   OH260029   2.596   1.734   3.355
 1790TIP3    H160030   2.499   1.721   3.361
 1790TIP3    H260031   2.614   1.798   3.426
 1790TIP3   OH260032   2.663   1.913   3.561
 1790TIP3    H160033   2.749   1.897   3.605
 1790TIP3    H260034   2.677   2.000   3.519
 1790TIP3   OH260035   1.680   2.364   4.172
 1790TIP3    H160036   1.735   2.369   4.092
 1790TIP3    H260037   1.704   2.279   4.209
 1791TIP3   OH260038   2.420   2.585   3.476
 1791TIP3    H160039   2.391   2.670   3.516
 1791TIP3    H260040   2.346   2.526   3.501
 1791TIP3   OH260041   3.124   1.910   3.536
 1791TIP3    H160042   3.066   1.893   3.459
 1791TIP3    H260043   3.136   2.006   3.525
 1791TIP3   OH260044   2.956   2.784   3.553
 1791TIP3    H160045   2.919   2.714   3.611
 1791TIP3    H260046   2.997   2.732   3.483
 1791TIP3   OH260047   2.648   2.325   4.238
 1791TIP3    H160048   2.581   2.287   4.295
 1791TIP3    H260049   2.691   2.246   4.199
 1791TIP3   OH260050   1.931   2.714   3.877
 1791TIP3    H160051   1.971   2.803   3.872
 1791TIP3    H260052   1.838   2.733   3.862
 1791TIP3   OH260053   1.530   2.195   3.352
 1791TIP3    H160054   1.588   2.262   3.391
 1791TIP3    H260055   1.442   2.223   3.383
 1791TIP3   OH260056   2.114   2.486   3.874
 1791TIP3    H160057   2.079   2.576   3.862
 1791TIP3    H260058   2.034   2.436   3.894
 1791TIP3   OH260059   1.975   3.006   3.813
 1791TIP3    H160060   1.879   3.021   3.820
 1791TIP3    H260061   2.010   3.094   3.839
 1791TIP3   OH260062   2.694   2.627   3.341
 1791TIP3    H160063   2.729   2.569   3.412
 1791TIP3    H260064   2.600   2.607   3.352
 1791TIP3   OH260065   3.123   3.075   3.394
 1791TIP3    H160066   3.211   3.094   3.357
 1791TIP3    H260067   3.113   3.158   3.442
 1792TIP3   OH260068   2.787   2.481   3.573
 1792TIP3    H160069   2.755   2.408   3.629
 1792TIP3    H260070   2.883   2.475   3.586
 1792TIP3   OH260071   2.116   2.722   3.198
 1792TIP3    H160072   2.134   2.646   3.139
 1792TIP3    H260073   2.068   2.677   3.270
 1792TIP3   OH260074   1.994   2.673   3.467
 1792TIP3    H160075   2.047   2.617   3.526
 1792TIP3    H260076   2.011   2.763   3.500
 1792TIP3   OH260077   1.682   2.416   3.506
 1792TIP3    H160078   1.608   2.454   3.557
 1792TIP3    H260079   1.728   2.496   3.475
 1792TIP3   OH260080   2.499   1.593   3.617
 1792TIP3    H160081   2.535   1.671   3.575
 1792TIP3    H260082   2.503   1.613   3.713
 1792TIP3   OH260083   2.296   2.842   3.529
 1792TIP3    H160084   2.209   2.882   3.544
 1792TIP3    H260085   2.321   2.876   3.442
 1792TIP3   OH260086   2.245   1.812   3.732
 1792TIP3    H160087   2.332   1.853   3.747
 1792TIP3    H260088   2.228   1.775   3.821
 1792TIP3   OH260089   2.016   2.942   3.529
 1792TIP3    H160090   2.004   3.022   3.473
 1792TIP3    H260091   1.998   2.977   3.618
 1792TIP3   OH260092   1.886   1.609   3.475
 1792TIP3    H160093   1.888   1.684   3.537
 1792TIP3    H260094   1.966   1.560   3.503
 1792TIP3   OH260095   2.757   2.087   4.142
 1792TIP3    H160096   2.683   2.036   4.104
 1792TIP3    H260097   2.816   2.013   4.172
 1793TIP3   OH260098   1.724   2.697   3.379
 1793TIP3    H160099   1.799   2.743   3.420
 1793TIP3    H260100   1.771   2.646   3.312
 1793TIP3   OH260101   1.537   1.914   3.296
 1793TIP3    H160102   1.549   2.009   3.316
 1793TIP3    H260103   1.452   1.914   3.249
 1793TIP3   OH260104   2.890   3.068   4.315
 1793TIP3    H160105   2.828   3.047   4.245
 1793TIP3    H260106   2.975   3.032   4.286
 1793TIP3   OH260107   1.621   1.417   4.173
 1793TIP3    H160108   1.611   1.417   4.076
 1793TIP3    H260109   1.596   1.326   4.196
 1793TIP3   OH260110   1.520   2.767   3.800
 1793TIP3    H160111   1.442   2.819   3.824
 1793TIP3    H260112   1.557   2.820   3.727
 1793TIP3   OH260113   2.336   2.888   3.247
 1793TIP3    H160114   2.257   2.831   3.235
 1793TIP3    H260115   2.403   2.829   3.207
 1793TIP3   OH260116   2.819   2.881   3.267
 1793TIP3    H160117   2.805   2.791   3.305
 1793TIP3    H260118   2.872   2.861   3.188
 1793TIP3   OH260119   1.877   2.468   3.228
 1793TIP3    H160120   1.893   2.403   3.299
 1793TIP3    H260121   1.960   2.459   3.177
 1793TIP3   OH260122   2.408   2.601   3.191
 1793TIP3    H160123   2.394   2.587   3.287
 1793TIP3    H260124   2.397   2.508   3.160
 1793TIP3   OH260125   1.990   2.270   3.466
 1793TIP3    H160126   1.925   2.218   3.515
 1793TIP3    H260127   2.017   2.206   3.398
 1794TIP3   OH260128   2.081   2.076   3.287
 1794TIP3    H160129   2.076   2.082   3.189
 1794TIP3    H260130   2.177   2.070   3.301
 1794TIP3   OH260131   3.030   2.327   3.218
 1794TIP3    H160132   3.021   2.280   3.134
 1794TIP3    H260133   3.024   2.420   3.189
 1794TIP3   OH260134   2.057   3.198   3.398
 1794TIP3    H160135   2.152   3.211   3.404
 1794TIP3    H260136   2.039   3.239   3.312
 1794TIP3   OH260137   1.448   2.636   3.351
 1794TIP3    H160138   1.544   2.655   3.362
 1794TIP3    H260139   1.450   2.558   3.292
 1794TIP3   OH260140   1.352   3.154   3.821
 1794TIP3    H160141   1.277   3.118   3.769
 1794TIP3    H260142   1.359   3.088   3.893
 1794TIP3   OH260143   1.388   2.956   4.019
 1794TIP3    H160144   1.360   2.867   4.047
 1794TIP3    H260145   1.413   2.992   4.106
 1794TIP3   OH260146   3.165   3.099   4.273
 1794TIP3    H160147   3.145   3.085   4.367
 1794TIP3    H260148   3.262   3.097   4.276
 1794TIP3   OH260149   3.073   2.463   3.613
 1794TIP3    H160150   3.163   2.493   3.632
 1794TIP3    H260151   3.061   2.398   3.685
 1794TIP3   OH260152   3.119   2.258   3.812
 1794TIP3    H160153   3.050   2.202   3.854
 1794TIP3    H260154   3.186   2.267   3.884
 1794TIP3   OH260155   3.087   2.490   4.327
 1794TIP3    H160156   3.152   2.438   4.278
 1794TIP3    H260157   3.095   2.578   4.289
 1795TIP3   OH260158   3.145   2.203   3.468
 1795TIP3    H160159   3.091   2.231   3.391
 1795TIP3    H260160   3.130   2.277   3.529
 1795TIP3   OH260161   2.971   1.959   3.294
 1795TIP3    H160162   2.996   2.017   3.220
 1795TIP3    H260163   2.945   1.877   3.249
 1795TIP3   OH260164   2.909   2.071   3.893
 1795TIP3    H160165   2.901   1.976   3.876
 1795TIP3    H260166   2.871   2.079   3.982
 1795TIP3   OH260167   1.394   2.253   4.261
 1795TIP3    H160168   1.427   2.284   4.175
 1795TIP3    H260169   1.473   2.258   4.318
 1795TIP3   OH260170   2.918   1.692   3.213
 1795TIP3    H160171   2.973   1.644   3.277
 1795TIP3    H260172   2.835   1.642   3.212
 1795TIP3   OH260173   2.901   1.821   3.707
 1795TIP3    H160174   2.922   1.726   3.714
 1795TIP3    H260175   2.983   1.854   3.666
 1795TIP3   OH260176   2.920   1.892   4.221
 1795TIP3    H160177   3.015   1.883   4.238
 1795TIP3    H260178   2.881   1.863   4.305
 1795TIP3   OH260179   2.944   1.540   3.710
 1795TIP3    H160180   2.941   1.508   3.801
 1795TIP3    H260181   2.864   1.495   3.674
 1795TIP3   OH260182   1.467   1.672   4.194
 1795TIP3    H160183   1.495   1.579   4.201
 1795TIP3    H260184   1.531   1.712   4.255
 1795TIP3   OH260185   1.313   1.958   4.304
 1795TIP3    H160186   1.352   1.921   4.223
 1795TIP3    H260187   1.339   2.052   4.297
 1796TIP3   OH260188   3.141   1.591   3.374
 1796TIP3    H160189   3.172   1.510   3.330
 1796TIP3    H260190   3.223   1.642   3.383
 1796TIP3   OH260191   1.365   1.566   3.696
 1796TIP3    H160192   1.271   1.567   3.671
 1796TIP3    H260193   1.407   1.623   3.629
 1796TIP3   OH260194   2.828   3.091   3.908
 1796TIP3    H160195   2.871   3.069   3.823
 1796TIP3    H260196   2.900   3.135   3.954
 1796TIP3   OH260197   1.531   2.990   4.263
 1796TIP3    H160198   1.568   2.997   4.354
 1796TIP3    H260199   1.615   2.974   4.214
 1796TIP3   OH260200   1.753   2.906   4.116
 1796TIP3    H160201   1.742   2.812   4.141
 1796TIP3    H260202   1.844   2.924   4.147
 1796TIP3   OH260203   2.018   2.953   4.213
 1796TIP3    H160204   2.055   2.868   4.185
 1796TIP3    H260205   2.033   2.950   4.308
 1796TIP3   OH260206   2.816   1.374   4.145
 1796TIP3    H160207   2.898   1.404   4.102
 1796TIP3    H260208   2.749   1.385   4.075
 1796TIP3   OH260209   3.069   1.453   3.979
 1796TIP3    H160210   3.131   1.419   3.913
 1796TIP3    H260211   3.086   1.549   3.978
 1796TIP3   OH260212   1.594   1.416   3.889
 1796TIP3    H160213   1.508   1.402   3.845
 1796TIP3    H260214   1.637   1.329   3.874
 1796TIP3   OH260215   1.477   1.364   3.477
 1796TIP3    H160216   1.528   1.430   3.426
 1796TIP3    H260217   1.436   1.419   3.545
 1797TIP3   OH260218   2.054   1.410   3.893
 1797TIP3    H160219   2.149   1.424   3.879
 1797TIP3    H260220   2.055   1.377   3.983
 1797TIP3   OH260221   2.711   1.407   3.606
 1797TIP3    H160222   2.628   1.459   3.607
 1797TIP3    H260223   2.679   1.323   3.643
 1797TIP3   OH260224   1.495   2.960   3.594
 1797TIP3    H160225   1.432   2.947   3.522
 1797TIP3    H260226   1.492   3.056   3.602
 1797TIP3   OH260227   1.649   1.547   3.322
 1797TIP3    H160228   1.708   1.491   3.270
 1797TIP3    H260229   1.709   1.579   3.391
 1797TIP3   OH260230   2.153   1.564   3.589
 1797TIP3    H160231   2.192   1.496   3.646
 1797TIP3    H260232   2.186   1.646   3.630
 1797TIP3   OH260233   2.365   3.152   3.392
 1797TIP3    H160234   2.460   3.138   3.402
 1797TIP3    H260235   2.340   3.076   3.337
 1797TIP3   OH260236   2.996   3.060   3.667
 1797TIP3    H160237   2.981   2.974   3.621
 1797TIP3    H260238   2.999   3.122   3.593
 1797TIP3   OH260239   1.639   3.056   3.273
 1797TIP3    H160240   1.614   3.082   3.363
 1797TIP3    H260241   1.714   2.997   3.287
 1797TIP3   OH260242   4.267   2.212   4.209
 1797TIP3    H160243   4.252   2.169   4.294
 1797TIP3    H260244   4.220   2.154   4.147
 1797TIP3   OH260245   3.583   2.650   4.246
 1797TIP3    H160246   3.558   2.558   4.224
 1797TIP3    H260247   3.680   2.636   4.254
 1798TIP3   OH260248   3.281   2.001   3.776
 1798TIP3    H160249   3.236   2.087   3.787
 1798TIP3    H260250   3.210   1.945   3.744
 1798TIP3   OH260251   3.355   2.235   3.974
 1798TIP3    H160252   3.376   2.157   4.029
 1798TIP3    H260253   3.438   2.247   3.927
 1798TIP3   OH260254   4.063   2.428   4.283
 1798TIP3    H160255   4.116   2.385   4.214
 1798TIP3    H260256   4.136   2.477   4.327
 1798TIP3   OH260257   3.741   1.716   4.041
 1798TIP3    H160258   3.753   1.803   3.998
 1798TIP3    H260259   3.705   1.666   3.965
 1798TIP3   OH260260   3.436   1.986   4.099
 1798TIP3    H160261   3.476   1.919   4.156
 1798TIP3    H260262   3.433   1.939   4.014
 1798TIP3   OH260263   3.944   2.124   4.053
 1798TIP3    H160264   4.015   2.063   4.081
 1798TIP3    H260265   3.894   2.066   3.993
 1798TIP3   OH260266   3.664   1.809   4.300
 1798TIP3    H160267   3.646   1.901   4.280
 1798TIP3    H260268   3.656   1.765   4.214
 1798TIP3   OH260269   3.348   2.545   3.626
 1798TIP3    H160270   3.325   2.596   3.547
 1798TIP3    H260271   3.364   2.614   3.694
 1798TIP3   OH260272   4.035   1.354   4.176
 1798TIP3    H160273   4.025   1.257   4.182
 1798TIP3    H260274   3.954   1.385   4.220
 1798TIP3   OH260275   4.266   2.230   3.631
 1798TIP3    H160276   4.198   2.298   3.617
 1798TIP3    H260277   4.330   2.254   3.564
 1799TIP3   OH260278   4.291   2.078   3.351
 1799TIP3    H160279   4.366   2.072   3.411
 1799TIP3    H260280   4.295   1.997   3.299
 1799TIP3   OH260281   3.758   2.321   3.927
 1799TIP3    H160282   3.724   2.277   3.847
 1799TIP3    H260283   3.820   2.254   3.962
 1799TIP3   OH260284   3.855   2.632   4.155
 1799TIP3    H160285   3.893   2.592   4.075
 1799TIP3    H260286   3.932   2.643   4.213
 1799TIP3   OH260287   3.790   2.185   4.281
 1799TIP3    H160288   3.849   2.196   4.204
 1799TIP3    H260289   3.815   2.259   4.339
 1799TIP3   OH260290   4.249   2.842   3.846
 1799TIP3    H160291   4.300   2.887   3.917
 1799TIP3    H260292   4.200   2.916   3.808
 1799TIP3   OH260293   3.651   2.193   3.680
 1799TIP3    H160294   3.629   2.269   3.623
 1799TIP3    H260295   3.584   2.129   3.654
 1799TIP3   OH260296   3.270   2.739   4.232
 1799TIP3    H160297   3.365   2.731   4.245
 1799TIP3    H260298   3.249   2.815   4.288
 1799TIP3   OH260299   4.166   3.128   3.684
 1799TIP3    H160300   4.217   3.124   3.602
 1799TIP3    H260301   4.206   3.202   3.732
 1799TIP3   OH260302   3.573   3.031   3.863
 1799TIP3    H160303   3.592   2.987   3.949
 1799TIP3    H260304   3.488   2.991   3.840
 1799TIP3   OH260305   3.790   1.444   4.290
 1799TIP3    H160306   3.706   1.434   4.243
 1799TIP3    H260307   3.794   1.540   4.308
 1800TIP3   OH260308   4.233   1.678   3.349
 1800TIP3    H160309   4.173   1.664   3.423
 1800TIP3    H260310   4.201   1.611   3.287
 1800TIP3   OH260311   3.777   1.952   3.884
 1800TIP3    H160312   3.681   1.942   3.869
 1800TIP3    H260313   3.810   1.929   3.795
 1800TIP3   OH260314   4.279   1.999   3.833
 1800TIP3    H160315   4.271   2.093   3.811
 1800TIP3    H260316   4.371   1.992   3.864
 1800TIP3   OH260317   3.865   1.717   3.235
 1800TIP3    H160318   3.823   1.684   3.317
 1800TIP3    H260319   3.787   1.736   3.180
 1800TIP3   OH260320   3.210   1.719   3.939
 1800TIP3    H160321   3.257   1.699   4.022
 1800TIP3    H260322   3.251   1.661   3.873
 1800TIP3   OH260323   3.360   1.747   3.512
 1800TIP3    H160324   3.413   1.797   3.447
 1800TIP3    H260325   3.290   1.812   3.532
 1800TIP3   OH260326   4.045   1.696   3.986
 1800TIP3    H160327   3.950   1.697   4.009
 1800TIP3    H260328   4.085   1.698   4.073
 1800TIP3   OH260329   3.511   1.834   3.852
 1800TIP3    H160330   3.426   1.859   3.812
 1800TIP3    H260331   3.535   1.753   3.803
 1800TIP3   OH260332   3.874   1.860   3.618
 1800TIP3    H160333   3.969   1.880   3.624
 1800TIP3    H260334   3.843   1.922   3.549
 1800TIP3   OH260335   3.723   1.988   3.398
 1800TIP3    H160336   3.661   1.963   3.328
 1800TIP3    H260337   3.803   2.004   3.346
 1801TIP3   OH260338   4.131   1.944   4.152
 1801TIP3    H160339   4.198   1.901   4.097
 1801TIP3    H260340   4.150   1.906   4.240
 1801TIP3   OH260341   3.685   1.604   3.784
 1801TIP3    H160342   3.626   1.528   3.800
 1801TIP3    H260343   3.763   1.561   3.747
 1801TIP3   OH260344   4.069   2.437   3.585
 1801TIP3    H160345   3.993   2.387   3.549
 1801TIP3    H260346   4.047   2.444   3.681
 1801TIP3   OH260347   3.563   2.355   4.173
 1801TIP3    H160348   3.625   2.369   4.099
 1801TIP3    H260349   3.609   2.285   4.223
 1801TIP3   OH260350   4.287   2.574   3.483
 1801TIP3    H160351   4.262   2.664   3.513
 1801TIP3    H260352   4.210   2.523   3.515
 1801TIP3   OH260353   3.816   2.713   3.865
 1801TIP3    H160354   3.858   2.799   3.876
 1801TIP3    H260355   3.722   2.736   3.867
 1801TIP3   OH260356   3.415   2.195   3.350
 1801TIP3    H160357   3.473   2.262   3.391
 1801TIP3    H260358   3.328   2.220   3.386
 1801TIP3   OH260359   3.994   2.482   3.857
 1801TIP3    H160360   3.965   2.575   3.860
 1801TIP3    H260361   3.916   2.436   3.891
 1801TIP3   OH260362   3.860   3.008   3.792
 1801TIP3    H160363   3.766   3.018   3.815
 1801TIP3    H260364   3.899   3.088   3.832
 1801TIP3   OH260365   3.993   2.733   3.203
 1801TIP3    H160366   4.023   2.671   3.133
 1801TIP3    H260367   3.960   2.671   3.269
 1802TIP3   OH260368   3.876   2.677   3.484
 1802TIP3    H160369   3.930   2.618   3.537
 1802TIP3    H260370   3.911   2.764   3.507
 1802TIP3   OH260371   3.565   2.414   3.504
 1802TIP3    H160372   3.494   2.455   3.559
 1802TIP3    H260373   3.615   2.493   3.477
 1802TIP3   OH260374   4.170   2.832   3.521
 1802TIP3    H160375   4.101   2.894   3.545
 1802TIP3    H260376   4.212   2.874   3.445
 1802TIP3   OH260377   4.141   1.795   3.726
 1802TIP3    H160378   4.202   1.865   3.758
 1802TIP3    H260379   4.101   1.772   3.812
 1802TIP3   OH260380   4.191   1.505   3.844
 1802TIP3    H160381   4.165   1.582   3.898
 1802TIP3    H260382   4.271   1.538   3.799
 1802TIP3   OH260383   3.890   2.989   3.513
 1802TIP3    H160384   3.965   3.048   3.507
 1802TIP3    H260385   3.874   2.989   3.610
 1802TIP3   OH260386   3.769   1.610   3.472
 1802TIP3    H160387   3.768   1.685   3.534
 1802TIP3    H260388   3.849   1.562   3.498
 1802TIP3   OH260389   3.611   2.701   3.378
 1802TIP3    H160390   3.689   2.736   3.426
 1802TIP3    H260391   3.657   2.647   3.312
 1802TIP3   OH260392   3.424   1.915   3.293
 1802TIP3    H160393   3.435   2.010   3.316
 1802TIP3    H260394   3.336   1.914   3.253
 1802TIP3   OH260395   3.516   1.413   4.170
 1802TIP3    H160396   3.498   1.419   4.074
 1802TIP3    H260397   3.473   1.330   4.195
 1803TIP3   OH260398   3.401   2.765   3.795
 1803TIP3    H160399   3.328   2.822   3.825
 1803TIP3    H260400   3.444   2.821   3.728
 1803TIP3   OH260401   4.228   2.887   3.242
 1803TIP3    H160402   4.147   2.834   3.226
 1803TIP3    H260403   4.293   2.821   3.214
 1803TIP3   OH260404   3.757   2.471   3.234
 1803TIP3    H160405   3.778   2.405   3.301
 1803TIP3    H260406   3.838   2.465   3.178
 1803TIP3   OH260407   4.261   2.600   3.188
 1803TIP3    H160408   4.276   2.601   3.284
 1803TIP3    H260409   4.242   2.506   3.172
 1803TIP3   OH260410   3.872   2.269   3.462
 1803TIP3    H160411   3.808   2.218   3.515
 1803TIP3    H260412   3.901   2.202   3.398
 1803TIP3   OH260413   3.979   2.070   3.288
 1803TIP3    H160414   3.969   2.079   3.191
 1803TIP3    H260415   4.074   2.088   3.299
 1803TIP3   OH260416   3.333   2.641   3.345
 1803TIP3    H160417   3.428   2.654   3.363
 1803TIP3    H260418   3.334   2.557   3.293
 1803TIP3   OH260419   3.238   3.144   3.810
 1803TIP3    H160420   3.151   3.118   3.775
 1803TIP3    H260421   3.244   3.087   3.889
 1803TIP3   OH260422   3.274   2.955   4.018
 1803TIP3    H160423   3.248   2.867   4.049
 1803TIP3    H260424   3.301   2.992   4.104
 1803TIP3   OH260425   3.280   2.257   4.262
 1803TIP3    H160426   3.316   2.286   4.177
 1803TIP3    H260427   3.359   2.256   4.319
 1804TIP3   OH260428   3.355   1.674   4.193
 1804TIP3    H160429   3.381   1.582   4.204
 1804TIP3    H260430   3.412   1.717   4.258
 1804TIP3   OH260431   3.197   1.959   4.304
 1804TIP3    H160432   3.235   1.922   4.223
 1804TIP3    H260433   3.223   2.053   4.297
 1804TIP3   OH260434   3.251   1.561   3.694
 1804TIP3    H160435   3.156   1.565   3.674
 1804TIP3    H260436   3.290   1.623   3.628
 1804TIP3   OH260437   3.418   2.994   4.261
 1804TIP3    H160438   3.451   2.998   4.353
 1804TIP3    H260439   3.502   2.974   4.215
 1804TIP3   OH260440   3.640   2.904   4.112
 1804TIP3    H160441   3.627   2.812   4.142
 1804TIP3    H260442   3.729   2.923   4.148
 1804TIP3   OH260443   3.900   2.950   4.213
 1804TIP3    H160444   3.942   2.867   4.188
 1804TIP3    H260445   3.921   2.954   4.307
 1804TIP3   OH260446   4.268   1.521   4.133
 1804TIP3    H160447   4.190   1.468   4.158
 1804TIP3    H260448   4.298   1.476   4.054
 1804TIP3   OH260449   3.482   1.417   3.886
 1804TIP3    H160450   3.395   1.403   3.844
 1804TIP3    H260451   3.522   1.329   3.873
 1804TIP3   OH260452   3.364   1.364   3.477
 1804TIP3    H160453   3.411   1.432   3.426
 1804TIP3    H260454   3.320   1.417   3.546
 1804TIP3   OH260455   3.935   1.393   3.885
 1804TIP3    H160456   4.026   1.427   3.874
 1804TIP3    H260457   3.931   1.385   3.981
 1805TIP3   OH260458   3.381   2.960   3.583
 1805TIP3    H160459   3.310   2.947   3.519
 1805TIP3    H260460   3.371   3.054   3.605
 1805TIP3   OH260461   3.533   1.548   3.319
 1805TIP3    H160462   3.594   1.491   3.269
 1805TIP3    H260463   3.591   1.581   3.389
 1805TIP3   OH260464   4.068   1.566   3.577
 1805TIP3    H160465   4.068   1.506   3.653
 1805TIP3    H260466   4.058   1.652   3.620
 1805TIP3   OH260467   4.232   3.138   3.391
 1805TIP3    H160468   4.323   3.173   3.391
 1805TIP3    H260469   4.237   3.068   3.324
 1805TIP3   OH260470   3.530   3.062   3.276
 1805TIP3    H160471   3.501   3.077   3.367
 1805TIP3    H260472   3.590   2.987   3.286
 1805TIP3   OH260473  -3.162   4.193   3.895
 1805TIP3    H160474  -3.180   4.286   3.914
 1805TIP3    H260475  -3.239   4.168   3.842
 1805TIP3   OH260476  -3.301   4.120   4.252
 1805TIP3    H160477  -3.277   4.045   4.308
 1805TIP3    H260478  -3.286   4.086   4.163
 1805TIP3   OH260479  -4.216   3.905   3.664
 1805TIP3    H160480  -4.245   3.990   3.699
 1805TIP3    H260481  -4.300   3.858   3.656
 1805TIP3   OH260482  -4.194   4.118   3.958
 1805TIP3    H160483  -4.185   4.046   4.023
 1805TIP3    H260484  -4.102   4.129   3.932
 1805TIP3   OH260485  -3.119   3.817   4.323
 1805TIP3    H160486  -3.075   3.732   4.342
 1805TIP3    H260487  -3.111   3.823   4.226
 1806TIP3   OH260488  -3.800   3.601   4.038
 1806TIP3    H160489  -3.788   3.688   3.997
 1806TIP3    H260490  -3.840   3.550   3.965
 1806TIP3   OH260491  -3.017   3.623   3.865
 1806TIP3    H160492  -2.965   3.583   3.938
 1806TIP3    H260493  -2.947   3.668   3.817
 1806TIP3   OH260494  -4.121   3.872   4.096
 1806TIP3    H160495  -4.082   3.822   4.168
 1806TIP3    H260496  -4.105   3.813   4.020
 1806TIP3   OH260497  -3.601   4.013   4.058
 1806TIP3    H160498  -3.528   3.954   4.086
 1806TIP3    H260499  -3.650   3.955   3.997
 1806TIP3   OH260500  -2.843   3.565   4.067
 1806TIP3    H160501  -2.844   3.475   4.107
 1806TIP3    H260502  -2.791   3.612   4.135
 1806TIP3   OH260503  -3.863   3.711   4.296
 1806TIP3    H160504  -3.909   3.793   4.278
 1806TIP3    H260505  -3.893   3.651   4.226
 1806TIP3   OH260506  -3.508   3.240   4.178
 1806TIP3    H160507  -3.517   3.144   4.183
 1806TIP3    H260508  -3.592   3.269   4.220
 1806TIP3   OH260509  -3.309   4.144   3.636
 1806TIP3    H160510  -3.372   4.180   3.573
 1806TIP3    H260511  -3.230   4.133   3.580
 1806TIP3   OH260512  -3.267   3.943   3.353
 1806TIP3    H160513  -3.195   3.978   3.408
 1806TIP3    H260514  -3.217   3.892   3.288
 1806TIP3   OH260515  -2.937   4.141   3.738
 1806TIP3    H160516  -3.003   4.162   3.807
 1806TIP3    H260517  -2.871   4.090   3.789
 1807TIP3   OH260518  -3.794   4.211   3.934
 1807TIP3    H160519  -3.807   4.182   3.842
 1807TIP3    H260520  -3.712   4.163   3.958
 1807TIP3   OH260521  -3.766   4.104   4.281
 1807TIP3    H160522  -3.697   4.080   4.217
 1807TIP3    H260523  -3.715   4.136   4.357
 1807TIP3   OH260524  -3.055   4.073   3.501
 1807TIP3    H160525  -2.999   4.101   3.578
 1807TIP3    H260526  -3.008   4.119   3.427
 1807TIP3   OH260527  -2.706   3.246   3.443
 1807TIP3    H160528  -2.793   3.256   3.486
 1807TIP3    H260529  -2.670   3.336   3.450
 1807TIP3   OH260530  -3.899   4.089   3.682
 1807TIP3    H160531  -3.914   4.165   3.622
 1807TIP3    H260532  -3.959   4.022   3.647
 1807TIP3   OH260533  -3.747   3.330   4.284
 1807TIP3    H160534  -3.834   3.308   4.246
 1807TIP3    H260535  -3.764   3.421   4.315
 1807TIP3   OH260536  -2.916   4.176   3.295
 1807TIP3    H160537  -2.921   4.159   3.200
 1807TIP3    H260538  -2.828   4.216   3.303
 1807TIP3   OH260539  -3.329   3.557   3.345
 1807TIP3    H160540  -3.378   3.546   3.427
 1807TIP3    H260541  -3.371   3.489   3.289
 1807TIP3   OH260542  -3.768   3.836   3.882
 1807TIP3    H160543  -3.863   3.830   3.865
 1807TIP3    H260544  -3.732   3.815   3.794
 1807TIP3   OH260545  -3.207   3.898   3.764
 1807TIP3    H160546  -3.251   3.975   3.725
 1807TIP3    H260547  -3.139   3.878   3.697
 1808TIP3   OH260548  -3.128   3.832   4.042
 1808TIP3    H160549  -3.154   3.886   3.965
 1808TIP3    H260550  -3.105   3.749   3.997
 1808TIP3   OH260551  -3.685   3.598   3.236
 1808TIP3    H160552  -3.723   3.565   3.319
 1808TIP3    H260553  -3.764   3.621   3.185
 1808TIP3   OH260554  -4.318   3.604   3.930
 1808TIP3    H160555  -4.307   3.590   4.026
 1808TIP3    H260556  -4.267   3.532   3.895
 1808TIP3   OH260557  -4.212   3.642   3.519
 1808TIP3    H160558  -4.148   3.674   3.452
 1808TIP3    H260559  -4.283   3.705   3.505
 1808TIP3   OH260560  -3.500   3.599   3.984
 1808TIP3    H160561  -3.592   3.588   4.012
 1808TIP3    H260562  -3.452   3.572   4.064
 1808TIP3   OH260563  -4.040   3.721   3.847
 1808TIP3    H160564  -4.114   3.736   3.786
 1808TIP3    H260565  -4.003   3.638   3.814
 1808TIP3   OH260566  -3.671   3.748   3.619
 1808TIP3    H160567  -3.575   3.757   3.627
 1808TIP3    H260568  -3.695   3.810   3.549
 1808TIP3   OH260569  -3.057   3.460   4.282
 1808TIP3    H160570  -3.093   3.495   4.365
 1808TIP3    H260571  -3.131   3.468   4.220
 1808TIP3   OH260572  -3.825   3.878   3.399
 1808TIP3    H160573  -3.882   3.846   3.327
 1808TIP3    H260574  -3.743   3.896   3.350
 1808TIP3   OH260575  -3.404   3.833   4.189
 1808TIP3    H160576  -3.328   3.803   4.135
 1808TIP3    H260577  -3.399   3.772   4.264
 1809TIP3   OH260578  -3.875   3.487   3.789
 1809TIP3    H160579  -3.915   3.400   3.801
 1809TIP3    H260580  -3.790   3.464   3.747
 1809TIP3   OH260581  -3.523   4.366   3.605
 1809TIP3    H160582  -3.560   4.298   3.545
 1809TIP3    H260583  -3.469   4.317   3.668
 1809TIP3   OH260584  -3.060   3.619   3.354
 1809TIP3    H160585  -3.159   3.614   3.355
 1809TIP3    H260586  -3.042   3.688   3.422
 1809TIP3   OH260587  -2.993   3.796   3.563
 1809TIP3    H160588  -2.907   3.781   3.606
 1809TIP3    H260589  -2.982   3.885   3.526
 1809TIP3   OH260590  -3.968   4.213   4.148
 1809TIP3    H160591  -3.899   4.231   4.080
 1809TIP3    H260592  -3.911   4.162   4.210
 1809TIP3   OH260593  -2.534   3.796   3.537
 1809TIP3    H160594  -2.591   3.779   3.459
 1809TIP3    H260595  -2.522   3.892   3.526
 1809TIP3   OH260596  -3.022   4.216   4.221
 1809TIP3    H160597  -3.095   4.185   4.277
 1809TIP3    H260598  -2.970   4.136   4.202
 1809TIP3   OH260599  -4.166   4.093   3.371
 1809TIP3    H160600  -4.088   4.143   3.399
 1809TIP3    H260601  -4.232   4.165   3.371
 1809TIP3   OH260602  -3.958  -4.391   3.525
 1809TIP3    H160603  -4.051  -4.359   3.528
 1809TIP3    H260604  -3.911  -4.310   3.501
 1809TIP3   OH260605  -3.143   3.491   3.632
 1809TIP3    H160606  -3.127   3.549   3.556
 1809TIP3    H260607  -3.101   3.542   3.704
 1810TIP3   OH260608  -3.405   3.694   3.727
 1810TIP3    H160609  -3.328   3.751   3.745
 1810TIP3    H260610  -3.436   3.672   3.817
 1810TIP3   OH260611  -3.351   3.393   3.816
 1810TIP3    H160612  -3.362   3.453   3.893
 1810TIP3    H260613  -3.273   3.432   3.773
 1810TIP3   OH260614  -3.774   3.496   3.479
 1810TIP3    H160615  -3.767   3.575   3.535
 1810TIP3    H260616  -3.693   3.448   3.505
 1810TIP3   OH260617  -2.895   3.970   4.134
 1810TIP3    H160618  -2.974   3.920   4.107
 1810TIP3    H260619  -2.837   3.898   4.170
 1810TIP3   OH260620  -4.117   3.797   3.298
 1810TIP3    H160621  -4.105   3.891   3.319
 1810TIP3    H260622  -4.199   3.794   3.247
 1810TIP3   OH260623  -4.013   3.269   4.161
 1810TIP3    H160624  -4.063   3.297   4.083
 1810TIP3    H260625  -4.080   3.227   4.217
 1810TIP3   OH260626  -3.659   4.161   3.459
 1810TIP3    H160627  -3.727   4.120   3.514
 1810TIP3    H260628  -3.646   4.093   3.390
 1810TIP3   OH260629  -3.578   3.956   3.283
 1810TIP3    H160630  -3.581   3.972   3.187
 1810TIP3    H260631  -3.483   3.956   3.300
 1810TIP3   OH260632  -2.648   4.189   3.206
 1810TIP3    H160633  -2.658   4.185   3.109
 1810TIP3    H260634  -2.646   4.285   3.225
 1810TIP3   OH260635  -2.569   4.358   3.642
 1810TIP3    H160636  -2.473   4.362   3.633
 1810TIP3    H260637  -2.584   4.279   3.695
 1811TIP3   OH260638  -2.528   4.132   3.812
 1811TIP3    H160639  -2.608   4.091   3.851
 1811TIP3    H260640  -2.473   4.151   3.890
 1811TIP3   OH260641  -2.512   4.094   3.461
 1811TIP3    H160642  -2.576   4.117   3.391
 1811TIP3    H260643  -2.526   4.166   3.524
 1811TIP3   OH260644  -2.686   3.843   3.295
 1811TIP3    H160645  -2.666   3.907   3.226
 1811TIP3    H260646  -2.709   3.762   3.245
 1811TIP3   OH260647  -2.759   3.966   3.885
 1811TIP3    H160648  -2.760   3.869   3.874
 1811TIP3    H260649  -2.791   3.976   3.977
 1811TIP3   OH260650  -4.235   4.171   4.280
 1811TIP3    H160651  -4.220   4.188   4.186
 1811TIP3    H260652  -4.146   4.152   4.311
 1811TIP3   OH260653  -2.739   3.577   3.212
 1811TIP3    H160654  -2.682   3.530   3.276
 1811TIP3    H260655  -2.821   3.525   3.213
 1811TIP3   OH260656  -2.759   3.707   3.709
 1811TIP3    H160657  -2.735   3.612   3.717
 1811TIP3    H260658  -2.677   3.742   3.669
 1811TIP3   OH260659  -2.734   3.778   4.222
 1811TIP3    H160660  -2.639   3.772   4.240
 1811TIP3    H260661  -2.773   3.748   4.306
 1811TIP3   OH260662  -2.711   3.426   3.706
 1811TIP3    H160663  -2.703   3.396   3.799
 1811TIP3    H260664  -2.792   3.379   3.678
 1811TIP3   OH260665  -4.166   3.573   4.193
 1811TIP3    H160666  -4.187   3.484   4.222
 1811TIP3    H260667  -4.111   3.601   4.267
 1812TIP3   OH260668  -4.352   3.825   4.315
 1812TIP3    H160669  -4.306   3.783   4.241
 1812TIP3    H260670  -4.308   3.911   4.321
 1812TIP3   OH260671  -2.516   3.476   3.373
 1812TIP3    H160672  -2.484   3.395   3.329
 1812TIP3    H260673  -2.435   3.528   3.383
 1812TIP3   OH260674  -4.312   3.425   3.643
 1812TIP3    H160675  -4.397   3.468   3.629
 1812TIP3    H260676  -4.252   3.497   3.611
 1812TIP3   OH260677  -3.301   3.439   4.124
 1812TIP3    H160678  -3.360   3.367   4.153
 1812TIP3    H260679  -3.231   3.389   4.077
 1812TIP3   OH260680  -2.806   3.313   4.147
 1812TIP3    H160681  -2.722   3.268   4.130
 1812TIP3    H260682  -2.874   3.249   4.125
 1812TIP3   OH260683  -2.587   3.341   3.956
 1812TIP3    H160684  -2.512   3.306   3.905
 1812TIP3    H260685  -2.561   3.433   3.974
 1812TIP3   OH260686  -4.112   3.291   3.881
 1812TIP3    H160687  -4.180   3.249   3.827
 1812TIP3    H260688  -4.043   3.222   3.883
 1812TIP3   OH260689  -4.198   3.246   3.463
 1812TIP3    H160690  -4.139   3.308   3.415
 1812TIP3    H260691  -4.237   3.307   3.529
 1812TIP3   OH260692  -3.612   3.276   3.890
 1812TIP3    H160693  -3.523   3.313   3.874
 1812TIP3    H260694  -3.612   3.270   3.987
 1812TIP3   OH260695  -3.081   3.293   3.998
 1812TIP3    H160696  -3.030   3.267   3.921
 1812TIP3    H260697  -3.099   3.208   4.041
 1813TIP3   OH260698  -2.944   3.287   3.614
 1813TIP3    H160699  -3.025   3.341   3.605
 1813TIP3    H260700  -2.981   3.199   3.631
 1813TIP3   OH260701  -4.007   3.432   3.324
 1813TIP3    H160702  -3.946   3.379   3.270
 1813TIP3    H260703  -3.946   3.466   3.392
 1813TIP3   OH260704  -3.500   3.450   3.583
 1813TIP3    H160705  -3.463   3.395   3.654
 1813TIP3    H260706  -3.480   3.538   3.619
 1813TIP3   OH260707  -1.421   4.115   4.244
 1813TIP3    H160708  -1.385   4.048   4.303
 1813TIP3    H260709  -1.397   4.083   4.156
 1813TIP3   OH260710  -2.375   3.888   3.776
 1813TIP3    H160711  -2.421   3.973   3.787
 1813TIP3    H260712  -2.447   3.831   3.744
 1813TIP3   OH260713  -2.287   4.129   3.973
 1813TIP3    H160714  -2.283   4.054   4.036
 1813TIP3    H260715  -2.205   4.113   3.924
 1813TIP3   OH260716  -1.252   3.812   4.299
 1813TIP3    H160717  -1.196   3.738   4.327
 1813TIP3    H260718  -1.221   3.831   4.208
 1813TIP3   OH260719  -1.881   3.596   4.036
 1813TIP3    H160720  -1.866   3.685   3.999
 1813TIP3    H260721  -1.927   3.552   3.962
 1813TIP3   OH260722  -1.130   3.593   3.851
 1813TIP3    H160723  -1.082   3.579   3.934
 1813TIP3    H260724  -1.113   3.687   3.836
 1813TIP3   OH260725  -2.224   3.870   4.101
 1813TIP3    H160726  -2.182   3.809   4.162
 1813TIP3    H260727  -2.221   3.820   4.017
 1814TIP3   OH260728  -1.717   4.012   4.063
 1814TIP3    H160729  -1.638   3.958   4.081
 1814TIP3    H260730  -1.763   3.958   3.998
 1814TIP3   OH260731  -0.958   3.551   4.073
 1814TIP3    H160732  -0.957   3.471   4.129
 1814TIP3    H260733  -0.905   3.611   4.129
 1814TIP3   OH260734  -2.001   3.687   4.282
 1814TIP3    H160735  -2.001   3.783   4.268
 1814TIP3    H260736  -1.992   3.651   4.192
 1814TIP3   OH260737  -1.623   3.254   4.147
 1814TIP3    H160738  -1.604   3.162   4.173
 1814TIP3    H260739  -1.695   3.276   4.210
 1814TIP3   OH260740  -1.445   4.095   3.596
 1814TIP3    H160741  -1.482   4.186   3.597
 1814TIP3    H260742  -1.352   4.111   3.615
 1814TIP3   OH260743  -1.371   3.944   3.328
 1814TIP3    H160744  -1.342   3.982   3.414
 1814TIP3    H260745  -1.288   3.910   3.297
 1814TIP3   OH260746  -1.060   4.156   3.740
 1814TIP3    H160747  -1.123   4.172   3.812
 1814TIP3    H260748  -0.994   4.102   3.787
 1814TIP3   OH260749  -1.914   4.207   3.936
 1814TIP3    H160750  -1.922   4.180   3.843
 1814TIP3    H260751  -1.827   4.172   3.959
 1814TIP3   OH260752  -1.878   4.085   4.286
 1814TIP3    H160753  -1.811   4.081   4.214
 1814TIP3    H260754  -1.837   4.145   4.350
 1814TIP3   OH260755  -1.150   4.050   3.503
 1814TIP3    H160756  -1.110   4.088   3.585
 1814TIP3    H260757  -1.109   4.108   3.434
 1815TIP3   OH260758  -0.822   3.248   3.443
 1815TIP3    H160759  -0.906   3.258   3.490
 1815TIP3    H260760  -0.784   3.337   3.450
 1815TIP3   OH260761  -2.009   4.088   3.678
 1815TIP3    H160762  -2.026   4.167   3.623
 1815TIP3    H260763  -2.076   4.026   3.648
 1815TIP3   OH260764  -1.860   3.330   4.286
 1815TIP3    H160765  -1.947   3.319   4.245
 1815TIP3    H260766  -1.858   3.424   4.310
 1815TIP3   OH260767  -1.035   4.182   3.293
 1815TIP3    H160768  -1.027   4.152   3.201
 1815TIP3    H260769  -0.947   4.221   3.309
 1815TIP3   OH260770  -1.428   3.556   3.333
 1815TIP3    H160771  -1.463   3.557   3.423
 1815TIP3    H260772  -1.478   3.481   3.294
 1815TIP3   OH260773  -1.879   3.836   3.883
 1815TIP3    H160774  -1.975   3.827   3.870
 1815TIP3    H260775  -1.847   3.820   3.793
 1815TIP3   OH260776  -1.787   3.600   3.234
 1815TIP3    H160777  -1.829   3.569   3.316
 1815TIP3    H260778  -1.863   3.623   3.179
 1815TIP3   OH260779  -2.451   3.599   3.941
 1815TIP3    H160780  -2.398   3.589   4.022
 1815TIP3    H260781  -2.401   3.549   3.875
 1815TIP3   OH260782  -2.298   3.633   3.513
 1815TIP3    H160783  -2.244   3.682   3.448
 1815TIP3    H260784  -2.367   3.698   3.532
 1815TIP3   OH260785  -2.147   3.716   3.856
 1815TIP3    H160786  -2.229   3.745   3.813
 1815TIP3    H260787  -2.121   3.637   3.806
 1816TIP3   OH260788  -1.772   3.745   3.617
 1816TIP3    H160789  -1.680   3.773   3.629
 1816TIP3    H260790  -1.806   3.809   3.551
 1816TIP3   OH260791  -1.218   3.436   4.277
 1816TIP3    H160792  -1.220   3.497   4.352
 1816TIP3    H260793  -1.234   3.492   4.201
 1816TIP3   OH260794  -1.939   3.868   3.400
 1816TIP3    H160795  -1.995   3.845   3.324
 1816TIP3    H260796  -1.857   3.896   3.355
 1816TIP3   OH260797  -1.522   3.810   4.162
 1816TIP3    H160798  -1.436   3.819   4.115
 1816TIP3    H260799  -1.494   3.778   4.249
 1816TIP3   OH260800  -1.965   3.484   3.789
 1816TIP3    H160801  -2.033   3.413   3.797
 1816TIP3    H260802  -1.913   3.455   3.714
 1816TIP3   OH260803  -1.587   4.327   3.593
 1816TIP3    H160804  -1.662   4.292   3.541
 1816TIP3    H260805  -1.625   4.338   3.681
 1816TIP3   OH260806  -1.130   3.761   3.514
 1816TIP3    H160807  -1.057   3.747   3.577
 1816TIP3    H260808  -1.136   3.858   3.515
 1816TIP3   OH260809  -2.065   4.236   4.163
 1816TIP3    H160810  -2.003   4.238   4.087
 1816TIP3    H260811  -2.025   4.163   4.214
 1816TIP3   OH260812  -0.647   3.796   3.539
 1816TIP3    H160813  -0.705   3.779   3.462
 1816TIP3    H260814  -0.635   3.892   3.527
 1816TIP3   OH260815  -1.122   4.191   4.244
 1816TIP3    H160816  -1.209   4.168   4.278
 1816TIP3    H260817  -1.087   4.110   4.202
 1817TIP3   OH260818  -2.249   4.095   3.342
 1817TIP3    H160819  -2.189   4.155   3.390
 1817TIP3    H260820  -2.333   4.111   3.388
 1817TIP3   OH260821  -2.072  -4.386   3.529
 1817TIP3    H160822  -2.163  -4.351   3.542
 1817TIP3    H260823  -2.026  -4.305   3.503
 1817TIP3   OH260824  -1.257   3.496   3.613
 1817TIP3    H160825  -1.241   3.577   3.561
 1817TIP3    H260826  -1.229   3.528   3.701
 1817TIP3   OH260827  -1.497   3.698   3.761
 1817TIP3    H160828  -1.419   3.756   3.758
 1817TIP3    H260829  -1.530   3.724   3.848
 1817TIP3   OH260830  -1.885   3.496   3.478
 1817TIP3    H160831  -1.878   3.579   3.530
 1817TIP3    H260832  -1.800   3.454   3.500
 1817TIP3   OH260833  -1.023   3.958   4.132
 1817TIP3    H160834  -1.094   3.922   4.074
 1817TIP3    H260835  -0.970   3.879   4.157
 1817TIP3   OH260836  -2.235   3.800   3.294
 1817TIP3    H160837  -2.221   3.895   3.313
 1817TIP3    H260838  -2.321   3.800   3.250
 1817TIP3   OH260839  -2.141   3.299   4.171
 1817TIP3    H160840  -2.161   3.303   4.075
 1817TIP3    H260841  -2.179   3.215   4.198
 1817TIP3   OH260842  -1.789   4.168   3.458
 1817TIP3    H160843  -1.840   4.116   3.521
 1817TIP3    H260844  -1.757   4.099   3.396
 1817TIP3   OH260845  -1.689   3.955   3.288
 1817TIP3    H160846  -1.690   3.969   3.192
 1817TIP3    H260847  -1.594   3.964   3.307
 1818TIP3   OH260848  -0.759   4.185   3.212
 1818TIP3    H160849  -0.772   4.176   3.116
 1818TIP3    H260850  -0.761   4.282   3.225
 1818TIP3   OH260851  -0.675   4.349   3.632
 1818TIP3    H160852  -0.580   4.356   3.645
 1818TIP3    H260853  -0.700   4.280   3.696
 1818TIP3   OH260854  -0.643   4.133   3.813
 1818TIP3    H160855  -0.722   4.089   3.850
 1818TIP3    H260856  -0.590   4.152   3.893
 1818TIP3   OH260857  -0.624   4.096   3.461
 1818TIP3    H160858  -0.687   4.117   3.390
 1818TIP3    H260859  -0.644   4.167   3.525
 1818TIP3   OH260860  -0.786   3.836   3.294
 1818TIP3    H160861  -0.781   3.908   3.230
 1818TIP3    H260862  -0.825   3.764   3.242
 1818TIP3   OH260863  -0.868   3.965   3.885
 1818TIP3    H160864  -0.887   3.872   3.866
 1818TIP3    H260865  -0.910   3.977   3.972
 1818TIP3   OH260866  -2.382   4.133   4.268
 1818TIP3    H160867  -2.367   4.189   4.190
 1818TIP3    H260868  -2.304   4.152   4.323
 1818TIP3   OH260869  -0.859   3.561   3.201
 1818TIP3    H160870  -0.798   3.529   3.270
 1818TIP3    H260871  -0.943   3.522   3.225
 1818TIP3   OH260872  -0.892   3.715   3.698
 1818TIP3    H160873  -0.865   3.623   3.716
 1818TIP3    H260874  -0.810   3.754   3.665
 1818TIP3   OH260875  -0.854   3.769   4.219
 1818TIP3    H160876  -0.758   3.779   4.235
 1818TIP3    H260877  -0.890   3.767   4.309
 1819TIP3   OH260878  -0.823   3.427   3.705
 1819TIP3    H160879  -0.817   3.403   3.799
 1819TIP3    H260880  -0.908   3.385   3.679
 1819TIP3   OH260881  -2.299   3.561   4.192
 1819TIP3    H160882  -2.274   3.468   4.206
 1819TIP3    H260883  -2.243   3.603   4.259
 1819TIP3   OH260884  -2.460   3.845   4.304
 1819TIP3    H160885  -2.417   3.810   4.224
 1819TIP3    H260886  -2.434   3.939   4.300
 1819TIP3   OH260887  -0.634   3.479   3.368
 1819TIP3    H160888  -0.599   3.397   3.329
 1819TIP3    H260889  -0.552   3.529   3.385
 1819TIP3   OH260890  -2.405   3.445   3.691
 1819TIP3    H160891  -2.500   3.452   3.674
 1819TIP3    H260892  -2.366   3.509   3.628
 1819TIP3   OH260893  -0.926   3.278   4.153
 1819TIP3    H160894  -0.844   3.293   4.104
 1819TIP3    H260895  -0.991   3.260   4.085
 1819TIP3   OH260896  -0.709   3.340   3.964
 1819TIP3    H160897  -0.635   3.304   3.910
 1819TIP3    H260898  -0.678   3.432   3.977
 1819TIP3   OH260899  -2.175   3.301   3.882
 1819TIP3    H160900  -2.263   3.286   3.841
 1819TIP3    H260901  -2.136   3.212   3.875
 1819TIP3   OH260902  -2.295   3.250   3.477
 1819TIP3    H160903  -2.244   3.316   3.426
 1819TIP3    H260904  -2.336   3.304   3.546
 1819TIP3   OH260905  -1.228   3.298   3.985
 1819TIP3    H160906  -1.147   3.288   3.933
 1819TIP3    H260907  -1.217   3.234   4.057
 1820TIP3   OH260908  -1.058   3.288   3.613
 1820TIP3    H160909  -1.137   3.346   3.607
 1820TIP3    H260910  -1.098   3.201   3.628
 1820TIP3   OH260911  -2.123   3.432   3.321
 1820TIP3    H160912  -2.062   3.377   3.269
 1820TIP3    H260913  -2.063   3.466   3.390
 1820TIP3   OH260914  -1.621   3.458   3.590
 1820TIP3    H160915  -1.568   3.393   3.638
 1820TIP3    H260916  -1.589   3.543   3.625
 1820TIP3   OH260917   0.610   4.194   3.893
 1820TIP3    H160918   0.591   4.286   3.915
 1820TIP3    H260919   0.532   4.167   3.843
 1820TIP3   OH260920   0.468   4.120   4.249
 1820TIP3    H160921   0.492   4.051   4.313
 1820TIP3    H260922   0.486   4.081   4.164
 1820TIP3   OH260923  -0.491   3.888   3.777
 1820TIP3    H160924  -0.537   3.973   3.789
 1820TIP3    H260925  -0.562   3.833   3.742
 1820TIP3   OH260926  -0.399   4.130   3.973
 1820TIP3    H160927  -0.398   4.056   4.036
 1820TIP3    H260928  -0.320   4.110   3.922
 1820TIP3   OH260929   0.655   3.815   4.322
 1820TIP3    H160930   0.696   3.729   4.342
 1820TIP3    H260931   0.662   3.820   4.225
 1820TIP3   OH260932  -0.037   3.603   4.042
 1820TIP3    H160933  -0.017   3.688   3.999
 1820TIP3    H260934  -0.068   3.552   3.965
 1820TIP3   OH260935   0.754   3.622   3.865
 1820TIP3    H160936   0.807   3.583   3.939
 1820TIP3    H260937   0.825   3.668   3.817
 1821TIP3   OH260938  -0.340   3.868   4.099
 1821TIP3    H160939  -0.292   3.809   4.157
 1821TIP3    H260940  -0.335   3.821   4.014
 1821TIP3   OH260941   0.173   4.015   4.056
 1821TIP3    H160942   0.243   3.955   4.086
 1821TIP3    H260943   0.123   3.957   3.995
 1821TIP3   OH260944   0.931   3.562   4.067
 1821TIP3    H160945   0.927   3.474   4.111
 1821TIP3    H260946   0.980   3.611   4.135
 1821TIP3   OH260947  -0.113   3.693   4.297
 1821TIP3    H160948  -0.122   3.787   4.278
 1821TIP3    H260949  -0.112   3.651   4.209
 1821TIP3   OH260950   0.260   3.241   4.176
 1821TIP3    H160951   0.258   3.144   4.183
 1821TIP3    H260952   0.178   3.266   4.224
 1821TIP3   OH260953   0.462   4.143   3.636
 1821TIP3    H160954   0.400   4.182   3.574
 1821TIP3    H260955   0.541   4.133   3.579
 1821TIP3   OH260956   0.503   3.945   3.352
 1821TIP3    H160957   0.576   3.978   3.408
 1821TIP3    H260958   0.553   3.892   3.288
 1821TIP3   OH260959   0.835   4.142   3.737
 1821TIP3    H160960   0.768   4.162   3.806
 1821TIP3    H260961   0.900   4.090   3.789
 1821TIP3   OH260962  -0.027   4.205   3.937
 1821TIP3    H160963  -0.038   4.181   3.843
 1821TIP3    H260964   0.058   4.165   3.958
 1821TIP3   OH260965   0.008   4.083   4.284
 1821TIP3    H160966   0.076   4.084   4.215
 1821TIP3    H260967   0.045   4.138   4.354
 1822TIP3   OH260968   0.717   4.074   3.500
 1822TIP3    H160969   0.772   4.102   3.577
 1822TIP3    H260970   0.763   4.121   3.426
 1822TIP3   OH260971   1.066   3.247   3.444
 1822TIP3    H160972   0.978   3.256   3.485
 1822TIP3    H260973   1.101   3.337   3.451
 1822TIP3   OH260974  -0.123   4.089   3.680
 1822TIP3    H160975  -0.142   4.166   3.623
 1822TIP3    H260976  -0.187   4.024   3.649
 1822TIP3   OH260977   0.015   3.329   4.293
 1822TIP3    H160978  -0.067   3.326   4.240
 1822TIP3    H260979   0.028   3.425   4.308
 1822TIP3   OH260980   0.853   4.178   3.290
 1822TIP3    H160981   0.852   4.152   3.197
 1822TIP3    H260982   0.942   4.216   3.299
 1822TIP3   OH260983   0.441   3.558   3.344
 1822TIP3    H160984   0.392   3.546   3.427
 1822TIP3    H260985   0.400   3.489   3.289
 1822TIP3   OH260986   0.005   3.835   3.883
 1822TIP3    H160987  -0.090   3.828   3.867
 1822TIP3    H260988   0.040   3.814   3.795
 1822TIP3   OH260989   0.565   3.898   3.764
 1822TIP3    H160990   0.520   3.974   3.725
 1822TIP3    H260991   0.633   3.878   3.697
 1822TIP3   OH260992   0.643   3.832   4.043
 1822TIP3    H160993   0.617   3.886   3.965
 1822TIP3    H260994   0.666   3.749   3.997
 1822TIP3   OH260995   0.084   3.605   3.235
 1822TIP3    H160996   0.049   3.568   3.319
 1822TIP3    H260997   0.004   3.613   3.181
 1823TIP3   OH260998  -0.569   3.591   3.942
 1823TIP3    H160999  -0.512   3.589   4.022
 1823TIP3    H261000  -0.514   3.549   3.874
 1823TIP3   OH261001  -0.415   3.632   3.512
 1823TIP3    H161002  -0.358   3.681   3.449
 1823TIP3    H261003  -0.483   3.699   3.531
 1823TIP3   OH261004   0.272   3.597   3.982
 1823TIP3    H161005   0.180   3.589   4.011
 1823TIP3    H261006   0.321   3.575   4.063
 1823TIP3   OH261007  -0.264   3.717   3.854
 1823TIP3    H161008  -0.345   3.745   3.807
 1823TIP3    H261009  -0.234   3.639   3.803
 1823TIP3   OH261010   0.101   3.748   3.619
 1823TIP3    H161011   0.198   3.757   3.628
 1823TIP3    H261012   0.078   3.812   3.549
 1823TIP3   OH261013   0.714   3.461   4.280
 1823TIP3    H161014   0.682   3.495   4.365
 1823TIP3    H261015   0.638   3.470   4.221
 1823TIP3   OH261016  -0.057   3.878   3.398
 1823TIP3    H161017  -0.112   3.843   3.326
 1823TIP3    H261018   0.026   3.896   3.351
 1823TIP3   OH261019   0.366   3.830   4.184
 1823TIP3    H161020   0.446   3.803   4.136
 1823TIP3    H261021   0.373   3.778   4.265
 1823TIP3   OH261022  -0.087   3.491   3.784
 1823TIP3    H161023  -0.140   3.411   3.800
 1823TIP3    H261024  -0.006   3.454   3.747
 1823TIP3   OH261025   0.250   4.365   3.602
 1823TIP3    H161026   0.212   4.297   3.544
 1823TIP3    H261027   0.299   4.318   3.669
 1824TIP3   OH261028   0.710   3.618   3.356
 1824TIP3    H161029   0.611   3.614   3.355
 1824TIP3    H261030   0.729   3.688   3.422
 1824TIP3   OH261031   0.777   3.797   3.564
 1824TIP3    H161032   0.864   3.780   3.606
 1824TIP3    H261033   0.790   3.885   3.525
 1824TIP3   OH261034  -0.178   4.238   4.163
 1824TIP3    H161035  -0.117   4.238   4.086
 1824TIP3    H261036  -0.140   4.163   4.213
 1824TIP3   OH261037   1.237   3.796   3.537
 1824TIP3    H161038   1.180   3.778   3.460
 1824TIP3    H261039   1.249   3.892   3.525
 1824TIP3   OH261040   0.749   4.216   4.221
 1824TIP3    H161041   0.678   4.187   4.279
 1824TIP3    H261042   0.801   4.135   4.203
 1824TIP3   OH261043  -0.364   4.095   3.341
 1824TIP3    H161044  -0.305   4.155   3.391
 1824TIP3    H261045  -0.449   4.109   3.388
 1824TIP3   OH261046  -0.188  -4.386   3.524
 1824TIP3    H161047  -0.277  -4.351   3.544
 1824TIP3    H261048  -0.138  -4.305   3.509
 1824TIP3   OH261049   0.627   3.492   3.632
 1824TIP3    H161050   0.645   3.548   3.555
 1824TIP3    H261051   0.670   3.542   3.704
 1824TIP3   OH261052   0.366   3.695   3.727
 1824TIP3    H161053   0.444   3.751   3.745
 1824TIP3    H261054   0.335   3.673   3.817
 1824TIP3   OH261055   0.420   3.393   3.817
 1824TIP3    H161056   0.409   3.454   3.892
 1824TIP3    H261057   0.498   3.432   3.773
 1825TIP3   OH261058  -0.002   3.495   3.474
 1825TIP3    H161059   0.000   3.570   3.535
 1825TIP3    H261060   0.079   3.447   3.501
 1825TIP3   OH261061   0.878   3.969   4.131
 1825TIP3    H161062   0.797   3.921   4.108
 1825TIP3    H261063   0.934   3.897   4.169
 1825TIP3   OH261064  -0.347   3.801   3.292
 1825TIP3    H161065  -0.335   3.895   3.314
 1825TIP3    H261066  -0.436   3.800   3.255
 1825TIP3   OH261067  -0.260   3.302   4.172
 1825TIP3    H161068  -0.273   3.306   4.074
 1825TIP3    H261069  -0.292   3.214   4.194
 1825TIP3   OH261070   0.108   4.162   3.456
 1825TIP3    H161071   0.044   4.119   3.515
 1825TIP3    H261072   0.125   4.092   3.390
 1825TIP3   OH261073   0.193   3.957   3.284
 1825TIP3    H161074   0.191   3.971   3.188
 1825TIP3    H261075   0.289   3.955   3.302
 1825TIP3   OH261076   1.123   4.189   3.207
 1825TIP3    H161077   1.115   4.182   3.110
 1825TIP3    H261078   1.124   4.285   3.224
 1825TIP3   OH261079   1.205   4.359   3.643
 1825TIP3    H161080   1.301   4.359   3.634
 1825TIP3    H261081   1.186   4.279   3.694
 1825TIP3   OH261082   1.243   4.132   3.812
 1825TIP3    H161083   1.163   4.091   3.850
 1825TIP3    H261084   1.296   4.152   3.892
 1825TIP3   OH261085   1.260   4.095   3.461
 1825TIP3    H161086   1.196   4.117   3.391
 1825TIP3    H261087   1.244   4.166   3.524
 1826TIP3   OH261088   1.085   3.844   3.295
 1826TIP3    H161089   1.105   3.905   3.223
 1826TIP3    H261090   1.061   3.762   3.248
 1826TIP3   OH261091   1.013   3.966   3.885
 1826TIP3    H161092   1.011   3.870   3.873
 1826TIP3    H261093   0.979   3.976   3.976
 1826TIP3   OH261094  -0.495   4.130   4.267
 1826TIP3    H161095  -0.484   4.189   4.192
 1826TIP3    H261096  -0.418   4.152   4.323
 1826TIP3   OH261097   1.031   3.579   3.215
 1826TIP3    H161098   1.089   3.529   3.275
 1826TIP3    H261099   0.951   3.525   3.210
 1826TIP3   OH261100   1.013   3.707   3.709
 1826TIP3    H161101   1.036   3.612   3.717
 1826TIP3    H261102   1.095   3.742   3.669
 1826TIP3   OH261103   1.036   3.777   4.223
 1826TIP3    H161104   1.131   3.773   4.242
 1826TIP3    H261105   0.996   3.750   4.308
 1826TIP3   OH261106   1.059   3.427   3.707
 1826TIP3    H161107   1.068   3.396   3.798
 1826TIP3    H261108   0.979   3.379   3.678
 1826TIP3   OH261109  -0.416   3.558   4.191
 1826TIP3    H161110  -0.383   3.467   4.203
 1826TIP3    H261111  -0.362   3.605   4.256
 1826TIP3   OH261112  -0.578   3.844   4.302
 1826TIP3    H161113  -0.532   3.811   4.223
 1826TIP3    H261114  -0.551   3.939   4.300
 1826TIP3   OH261115   1.255   3.476   3.374
 1826TIP3    H161116   1.286   3.395   3.329
 1826TIP3    H261117   1.338   3.527   3.382
 1827TIP3   OH261118  -0.519   3.443   3.688
 1827TIP3    H161119  -0.615   3.455   3.674
 1827TIP3    H261120  -0.480   3.509   3.628
 1827TIP3   OH261121   0.471   3.439   4.124
 1827TIP3    H161122   0.412   3.367   4.153
 1827TIP3    H261123   0.541   3.389   4.077
 1827TIP3   OH261124   0.966   3.307   4.154
 1827TIP3    H161125   1.050   3.273   4.120
 1827TIP3    H261126   0.897   3.253   4.115
 1827TIP3   OH261127   1.183   3.340   3.958
 1827TIP3    H161128   1.258   3.305   3.905
 1827TIP3    H261129   1.209   3.432   3.974
 1827TIP3   OH261130  -0.292   3.300   3.890
 1827TIP3    H161131  -0.377   3.287   3.843
 1827TIP3    H261132  -0.247   3.216   3.873
 1827TIP3   OH261133  -0.411   3.251   3.477
 1827TIP3    H161134  -0.359   3.316   3.427
 1827TIP3    H261135  -0.449   3.305   3.547
 1827TIP3   OH261136   0.159   3.276   3.891
 1827TIP3    H161137   0.247   3.313   3.871
 1827TIP3    H261138   0.165   3.268   3.987
 1827TIP3   OH261139   0.693   3.293   3.998
 1827TIP3    H161140   0.741   3.267   3.919
 1827TIP3    H261141   0.673   3.207   4.041
 1827TIP3   OH261142   0.827   3.287   3.616
 1827TIP3    H161143   0.745   3.340   3.604
 1827TIP3    H261144   0.791   3.198   3.628
 1827TIP3   OH261145  -0.237   3.432   3.321
 1827TIP3    H161146  -0.176   3.376   3.270
 1827TIP3    H261147  -0.178   3.465   3.391
 1828TIP3   OH261148   0.270   3.450   3.584
 1828TIP3    H161149   0.310   3.395   3.654
 1828TIP3    H261150   0.290   3.538   3.619
 1828TIP3   OH261151   2.496   4.194   3.893
 1828TIP3    H161152   2.475   4.286   3.914
 1828TIP3    H261153   2.418   4.167   3.843
 1828TIP3   OH261154   2.359   4.120   4.251
 1828TIP3    H161155   2.379   4.047   4.311
 1828TIP3    H261156   2.369   4.082   4.163
 1828TIP3   OH261157   1.395   3.890   3.777
 1828TIP3    H161158   1.346   3.974   3.786
 1828TIP3    H261159   1.325   3.831   3.745
 1828TIP3   OH261160   1.488   4.131   3.975
 1828TIP3    H161161   1.487   4.055   4.035
 1828TIP3    H261162   1.564   4.108   3.920
 1828TIP3   OH261163   2.539   3.817   4.322
 1828TIP3    H161164   2.582   3.733   4.343
 1828TIP3    H261165   2.546   3.822   4.225
 1828TIP3   OH261166   1.851   3.603   4.042
 1828TIP3    H161167   1.867   3.688   3.997
 1828TIP3    H261168   1.819   3.551   3.966
 1828TIP3   OH261169   2.639   3.623   3.865
 1828TIP3    H161170   2.692   3.583   3.939
 1828TIP3    H261171   2.710   3.668   3.817
 1828TIP3   OH261172   1.549   3.871   4.098
 1828TIP3    H161173   1.590   3.807   4.158
 1828TIP3    H261174   1.550   3.822   4.014
 1828TIP3   OH261175   2.058   4.015   4.055
 1828TIP3    H161176   2.128   3.954   4.086
 1828TIP3    H261177   2.008   3.957   3.995
 1829TIP3   OH261178   2.814   3.566   4.066
 1829TIP3    H161179   2.813   3.476   4.106
 1829TIP3    H261180   2.865   3.613   4.134
 1829TIP3   OH261181   1.776   3.694   4.298
 1829TIP3    H161182   1.759   3.787   4.279
 1829TIP3    H261183   1.771   3.651   4.211
 1829TIP3   OH261184   2.147   3.241   4.177
 1829TIP3    H161185   2.142   3.144   4.183
 1829TIP3    H261186   2.064   3.267   4.222
 1829TIP3   OH261187   2.347   4.142   3.636
 1829TIP3    H161188   2.286   4.188   3.578
 1829TIP3    H261189   2.424   4.132   3.578
 1829TIP3   OH261190   2.390   3.942   3.355
 1829TIP3    H161191   2.462   3.978   3.408
 1829TIP3    H261192   2.439   3.893   3.288
 1829TIP3   OH261193   2.721   4.144   3.738
 1829TIP3    H161194   2.653   4.162   3.806
 1829TIP3    H261195   2.786   4.091   3.788
 1829TIP3   OH261196   1.860   4.207   3.936
 1829TIP3    H161197   1.845   4.179   3.844
 1829TIP3    H261198   1.943   4.162   3.957
 1829TIP3   OH261199   1.895   4.081   4.285
 1829TIP3    H161200   1.961   4.083   4.214
 1829TIP3    H261201   1.931   4.142   4.351
 1829TIP3   OH261202   2.602   4.073   3.501
 1829TIP3    H161203   2.658   4.101   3.578
 1829TIP3    H261204   2.649   4.119   3.427
 1829TIP3   OH261205   1.762   4.090   3.681
 1829TIP3    H161206   1.743   4.167   3.624
 1829TIP3    H261207   1.700   4.023   3.649
 1830TIP3   OH261208   1.903   3.330   4.290
 1830TIP3    H161209   1.819   3.322   4.242
 1830TIP3    H261210   1.910   3.425   4.308
 1830TIP3   OH261211   2.742   4.176   3.296
 1830TIP3    H161212   2.734   4.160   3.200
 1830TIP3    H261213   2.831   4.215   3.301
 1830TIP3   OH261214   2.330   3.551   3.346
 1830TIP3    H161215   2.276   3.545   3.426
 1830TIP3    H261216   2.282   3.490   3.288
 1830TIP3   OH261217   1.891   3.837   3.883
 1830TIP3    H161218   1.795   3.827   3.867
 1830TIP3    H261219   1.925   3.814   3.794
 1830TIP3   OH261220   2.450   3.899   3.764
 1830TIP3    H161221   2.405   3.975   3.724
 1830TIP3    H261222   2.517   3.878   3.697
 1830TIP3   OH261223   2.529   3.832   4.042
 1830TIP3    H161224   2.503   3.886   3.965
 1830TIP3    H261225   2.552   3.749   3.997
 1830TIP3   OH261226   1.972   3.603   3.235
 1830TIP3    H161227   1.934   3.567   3.318
 1830TIP3    H261228   1.893   3.616   3.182
 1830TIP3   OH261229   1.322   3.601   3.940
 1830TIP3    H161230   1.373   3.588   4.022
 1830TIP3    H261231   1.369   3.548   3.874
 1830TIP3   OH261232   1.474   3.633   3.514
 1830TIP3    H161233   1.527   3.682   3.448
 1830TIP3    H261234   1.403   3.698   3.531
 1830TIP3   OH261235   2.158   3.599   3.982
 1830TIP3    H161236   2.065   3.589   4.009
 1830TIP3    H261237   2.205   3.573   4.063
 1831TIP3   OH261238   1.625   3.719   3.852
 1831TIP3    H161239   1.541   3.743   3.809
 1831TIP3    H261240   1.651   3.639   3.803
 1831TIP3   OH261241   1.988   3.749   3.619
 1831TIP3    H161242   2.085   3.761   3.625
 1831TIP3    H261243   1.961   3.810   3.548
 1831TIP3   OH261244   2.599   3.459   4.282
 1831TIP3    H161245   2.566   3.496   4.365
 1831TIP3    H261246   2.525   3.469   4.221
 1831TIP3   OH261247   1.830   3.878   3.399
 1831TIP3    H161248   1.773   3.845   3.328
 1831TIP3    H261249   1.913   3.896   3.350
 1831TIP3   OH261250   2.254   3.833   4.187
 1831TIP3    H161251   2.330   3.802   4.136
 1831TIP3    H261252   2.257   3.775   4.264
 1831TIP3   OH261253   1.799   3.490   3.786
 1831TIP3    H161254   1.742   3.413   3.800
 1831TIP3    H261255   1.878   3.451   3.747
 1831TIP3   OH261256   2.148   4.369   3.591
 1831TIP3    H161257   2.094   4.303   3.543
 1831TIP3    H261258   2.171   4.324   3.673
 1831TIP3   OH261259   2.596   3.623   3.347
 1831TIP3    H161260   2.498   3.613   3.354
 1831TIP3    H261261   2.616   3.685   3.420
 1831TIP3   OH261262   2.663   3.795   3.563
 1831TIP3    H161263   2.750   3.780   3.607
 1831TIP3    H261264   2.674   3.885   3.526
 1831TIP3   OH261265   1.710   4.240   4.164
 1831TIP3    H161266   1.769   4.238   4.086
 1831TIP3    H261267   1.743   4.162   4.212
 1832TIP3   OH261268   3.122   3.796   3.535
 1832TIP3    H161269   3.063   3.783   3.457
 1832TIP3    H261270   3.137   3.892   3.526
 1832TIP3   OH261271   2.635   4.217   4.220
 1832TIP3    H161272   2.561   4.186   4.275
 1832TIP3    H261273   2.686   4.136   4.202
 1832TIP3   OH261274   1.522   4.095   3.343
 1832TIP3    H161275   1.581   4.155   3.392
 1832TIP3    H261276   1.437   4.110   3.389
 1832TIP3   OH261277   1.701  -4.386   3.528
 1832TIP3    H161278   1.609  -4.354   3.541
 1832TIP3    H261279   1.745  -4.303   3.503
 1832TIP3   OH261280   2.533   3.478   3.634
 1832TIP3    H161281   2.526   3.540   3.561
 1832TIP3    H261282   2.562   3.536   3.707
 1832TIP3   OH261283   2.258   3.691   3.727
 1832TIP3    H161284   2.331   3.753   3.747
 1832TIP3    H261285   2.223   3.671   3.816
 1832TIP3   OH261286   2.306   3.394   3.817
 1832TIP3    H161287   2.295   3.454   3.893
 1832TIP3    H261288   2.387   3.430   3.777
 1832TIP3   OH261289   1.883   3.495   3.474
 1832TIP3    H161290   1.885   3.570   3.536
 1832TIP3    H261291   1.964   3.446   3.501
 1832TIP3   OH261292   2.762   3.971   4.133
 1832TIP3    H161293   2.683   3.921   4.107
 1832TIP3    H261294   2.820   3.900   4.170
 1832TIP3   OH261295   1.537   3.800   3.296
 1832TIP3    H161296   1.549   3.895   3.313
 1832TIP3    H261297   1.452   3.799   3.249
 1833TIP3   OH261298   1.628   3.300   4.171
 1833TIP3    H161299   1.612   3.304   4.075
 1833TIP3    H261300   1.592   3.214   4.195
 1833TIP3   OH261301   1.998   4.161   3.466
 1833TIP3    H161302   1.928   4.119   3.516
 1833TIP3    H261303   2.012   4.098   3.393
 1833TIP3   OH261304   2.078   3.958   3.284
 1833TIP3    H161305   2.075   3.971   3.187
 1833TIP3    H261306   2.174   3.957   3.300
 1833TIP3   OH261307   3.009   4.189   3.207
 1833TIP3    H161308   2.997   4.183   3.111
 1833TIP3    H261309   3.014   4.285   3.224
 1833TIP3   OH261310   3.081   4.365   3.646
 1833TIP3    H161311   3.177   4.370   3.635
 1833TIP3    H261312   3.068   4.283   3.695
 1833TIP3   OH261313   3.128   4.133   3.812
 1833TIP3    H161314   3.049   4.091   3.851
 1833TIP3    H261315   3.183   4.150   3.891
 1833TIP3   OH261316   3.145   4.093   3.461
 1833TIP3    H161317   3.082   4.117   3.391
 1833TIP3    H261318   3.131   4.165   3.524
 1833TIP3   OH261319   2.972   3.842   3.295
 1833TIP3    H161320   2.991   3.908   3.226
 1833TIP3    H261321   2.949   3.763   3.243
 1833TIP3   OH261322   2.898   3.966   3.885
 1833TIP3    H161323   2.897   3.869   3.874
 1833TIP3    H261324   2.865   3.975   3.976
 1833TIP3   OH261325   1.390   4.133   4.267
 1833TIP3    H161326   1.406   4.189   4.190
 1833TIP3    H261327   1.465   4.152   4.324
 1834TIP3   OH261328   2.921   3.575   3.216
 1834TIP3    H161329   2.973   3.527   3.283
 1834TIP3    H261330   2.836   3.529   3.218
 1834TIP3   OH261331   2.898   3.706   3.709
 1834TIP3    H161332   2.921   3.611   3.718
 1834TIP3    H261333   2.980   3.740   3.670
 1834TIP3   OH261334   2.922   3.778   4.222
 1834TIP3    H161335   3.018   3.773   4.241
 1834TIP3    H261336   2.884   3.743   4.305
 1834TIP3   OH261337   2.953   3.428   3.708
 1834TIP3    H161338   2.947   3.395   3.800
 1834TIP3    H261339   2.880   3.379   3.664
 1834TIP3   OH261340   1.471   3.559   4.191
 1834TIP3    H161341   1.498   3.467   4.204
 1834TIP3    H261342   1.525   3.603   4.258
 1834TIP3   OH261343   1.310   3.844   4.303
 1834TIP3    H161344   1.353   3.810   4.222
 1834TIP3    H261345   1.336   3.938   4.299
 1834TIP3   OH261346   3.123   3.455   3.376
 1834TIP3    H161347   3.168   3.385   3.327
 1834TIP3    H261348   3.195   3.517   3.395
 1834TIP3   OH261349   1.366   3.447   3.693
 1834TIP3    H161350   1.271   3.453   3.673
 1834TIP3    H261351   1.406   3.508   3.629
 1834TIP3   OH261352   2.356   3.439   4.124
 1834TIP3    H161353   2.297   3.367   4.153
 1834TIP3    H261354   2.426   3.389   4.077
 1834TIP3   OH261355   2.853   3.314   4.145
 1834TIP3    H161356   2.936   3.267   4.133
 1834TIP3    H261357   2.784   3.249   4.130
 1835TIP3   OH261358   3.073   3.337   3.955
 1835TIP3    H161359   3.147   3.311   3.899
 1835TIP3    H261360   3.093   3.430   3.976
 1835TIP3   OH261361   1.595   3.301   3.888
 1835TIP3    H161362   1.509   3.287   3.843
 1835TIP3    H261363   1.638   3.215   3.873
 1835TIP3   OH261364   1.477   3.250   3.478
 1835TIP3    H161365   1.527   3.316   3.426
 1835TIP3    H261366   1.436   3.304   3.546
 1835TIP3   OH261367   2.046   3.277   3.890
 1835TIP3    H161368   2.135   3.312   3.873
 1835TIP3    H261369   2.047   3.269   3.986
 1835TIP3   OH261370   2.574   3.293   3.999
 1835TIP3    H161371   2.625   3.264   3.922
 1835TIP3    H261372   2.557   3.209   4.045
 1835TIP3   OH261373   2.739   3.291   3.590
 1835TIP3    H161374   2.660   3.348   3.592
 1835TIP3    H261375   2.702   3.207   3.620
 1835TIP3   OH261376   1.647   3.432   3.321
 1835TIP3    H161377   1.708   3.376   3.269
 1835TIP3    H261378   1.707   3.465   3.391
 1835TIP3   OH261379   2.160   3.451   3.581
 1835TIP3    H161380   2.194   3.395   3.654
 1835TIP3    H261381   2.174   3.538   3.621
 1835TIP3   OH261382   4.195   4.102   4.243
 1835TIP3    H161383   4.273   4.115   4.299
 1835TIP3    H261384   4.236   4.087   4.157
 1835TIP3   OH261385   3.281   3.889   3.774
 1835TIP3    H161386   3.235   3.974   3.787
 1835TIP3    H261387   3.208   3.831   3.748
 1836TIP3   OH261388   3.371   4.129   3.974
 1836TIP3    H161389   3.373   4.053   4.036
 1836TIP3    H261390   3.452   4.111   3.924
 1836TIP3   OH261391   3.735   3.604   4.041
 1836TIP3    H161392   3.756   3.689   3.999
 1836TIP3    H261393   3.700   3.554   3.966
 1836TIP3   OH261394   3.433   3.871   4.098
 1836TIP3    H161395   3.477   3.811   4.159
 1836TIP3    H261396   3.436   3.820   4.015
 1836TIP3   OH261397   3.942   4.014   4.056
 1836TIP3    H161398   4.016   3.956   4.085
 1836TIP3    H261399   3.894   3.952   3.997
 1836TIP3   OH261400   3.659   3.694   4.299
 1836TIP3    H161401   3.650   3.787   4.278
 1836TIP3    H261402   3.659   3.650   4.212
 1836TIP3   OH261403   4.031   3.239   4.165
 1836TIP3    H161404   4.028   3.144   4.186
 1836TIP3    H261405   3.956   3.272   4.219
 1836TIP3   OH261406   4.268   4.125   3.630
 1836TIP3    H161407   4.200   4.190   3.606
 1836TIP3    H261408   4.332   4.141   3.561
 1836TIP3   OH261409   4.285   3.941   3.364
 1836TIP3    H161410   4.373   3.970   3.393
 1836TIP3    H261411   4.300   3.913   3.273
 1836TIP3   OH261412   3.743   4.204   3.937
 1836TIP3    H161413   3.735   4.179   3.844
 1836TIP3    H261414   3.829   4.165   3.961
 1836TIP3   OH261415   3.784   4.082   4.287
 1836TIP3    H161416   3.850   4.080   4.215
 1836TIP3    H261417   3.822   4.145   4.350
 1837TIP3   OH261418   3.650   4.087   3.677
 1837TIP3    H161419   3.631   4.166   3.622
 1837TIP3    H261420   3.580   4.025   3.650
 1837TIP3   OH261421   3.789   3.330   4.292
 1837TIP3    H161422   3.705   3.323   4.244
 1837TIP3    H261423   3.797   3.425   4.310
 1837TIP3   OH261424   4.216   3.551   3.326
 1837TIP3    H161425   4.171   3.552   3.411
 1837TIP3    H261426   4.189   3.467   3.288
 1837TIP3   OH261427   3.775   3.835   3.884
 1837TIP3    H161428   3.680   3.827   3.867
 1837TIP3    H261429   3.810   3.816   3.795
 1837TIP3   OH261430   4.271   3.887   3.833
 1837TIP3    H161431   4.266   3.980   3.803
 1837TIP3    H261432   4.364   3.875   3.855
 1837TIP3   OH261433   3.872   3.566   3.227
 1837TIP3    H161434   3.834   3.556   3.316
 1837TIP3    H261435   3.809   3.624   3.184
 1837TIP3   OH261436   3.208   3.601   3.940
 1837TIP3    H161437   3.258   3.591   4.023
 1837TIP3    H261438   3.257   3.546   3.876
 1837TIP3   OH261439   3.352   3.628   3.508
 1837TIP3    H161440   3.408   3.677   3.445
 1837TIP3    H261441   3.286   3.697   3.531
 1837TIP3   OH261442   4.041   3.579   3.983
 1837TIP3    H161443   3.951   3.585   4.018
 1837TIP3    H261444   4.092   3.582   4.066
 1837TIP3   OH261445   3.511   3.717   3.851
 1837TIP3    H161446   3.426   3.743   3.810
 1837TIP3    H261447   3.536   3.637   3.801
 1838TIP3   OH261448   3.876   3.744   3.615
 1838TIP3    H161449   3.970   3.762   3.628
 1838TIP3    H261450   3.848   3.809   3.549
 1838TIP3   OH261451   3.720   3.866   3.392
 1838TIP3    H161452   3.668   3.848   3.312
 1838TIP3    H261453   3.803   3.898   3.352
 1838TIP3   OH261454   4.122   3.815   4.149
 1838TIP3    H161455   4.199   3.786   4.099
 1838TIP3    H261456   4.150   3.796   4.240
 1838TIP3   OH261457   3.681   3.487   3.772
 1838TIP3    H161458   3.629   3.411   3.801
 1838TIP3    H261459   3.770   3.449   3.762
 1838TIP3   OH261460   4.068   4.333   3.593
 1838TIP3    H161461   3.993   4.291   3.545
 1838TIP3    H261462   4.043   4.321   3.685
 1838TIP3   OH261463   3.595   4.236   4.165
 1838TIP3    H161464   3.655   4.237   4.088
 1838TIP3    H261465   3.630   4.160   4.214
 1838TIP3   OH261466   3.409   4.093   3.343
 1838TIP3    H161467   3.468   4.154   3.390
 1838TIP3    H261468   3.324   4.110   3.388
 1838TIP3   OH261469   3.583  -4.386   3.529
 1838TIP3    H161470   3.493  -4.351   3.543
 1838TIP3    H261471   3.631  -4.306   3.501
 1838TIP3   OH261472   4.141   3.678   3.723
 1838TIP3    H161473   4.200   3.750   3.756
 1838TIP3    H261474   4.103   3.652   3.809
 1838TIP3   OH261475   4.184   3.395   3.829
 1838TIP3    H161476   4.162   3.460   3.900
 1838TIP3    H261477   4.274   3.424   3.807
 1839TIP3   OH261478   3.779   3.490   3.473
 1839TIP3    H161479   3.754   3.566   3.529
 1839TIP3    H261480   3.863   3.466   3.517
 1839TIP3   OH261481   3.422   3.799   3.291
 1839TIP3    H161482   3.438   3.893   3.312
 1839TIP3    H261483   3.333   3.801   3.253
 1839TIP3   OH261484   3.513   3.300   4.171
 1839TIP3    H161485   3.494   3.302   4.075
 1839TIP3    H261486   3.479   3.214   4.199
 1839TIP3   OH261487   3.873   4.165   3.462
 1839TIP3    H161488   3.815   4.112   3.518
 1839TIP3    H261489   3.903   4.101   3.395
 1839TIP3   OH261490   3.977   3.955   3.295
 1839TIP3    H161491   3.976   3.961   3.198
 1839TIP3    H261492   4.073   3.962   3.312
 1839TIP3   OH261493   3.274   4.135   4.268
 1839TIP3    H161494   3.292   4.189   4.190
 1839TIP3    H261495   3.352   4.151   4.324
 1839TIP3   OH261496   3.358   3.560   4.189
 1839TIP3    H161497   3.384   3.468   4.205
 1839TIP3    H261498   3.410   3.604   4.258
 1839TIP3   OH261499   3.194   3.845   4.302
 1839TIP3    H161500   3.240   3.809   4.225
 1839TIP3    H261501   3.223   3.938   4.300
 1839TIP3   OH261502   3.250   3.439   3.688
 1839TIP3    H161503   3.154   3.451   3.677
 1839TIP3    H261504   3.288   3.507   3.630
 1839TIP3   OH261505   4.261   3.419   4.117
 1839TIP3    H161506   4.197   3.365   4.165
 1839TIP3    H261507   4.311   3.352   4.071
 1840TIP3   OH261508   3.478   3.300   3.885
 1840TIP3    H161509   3.394   3.284   3.839
 1840TIP3    H261510   3.522   3.214   3.875
 1840TIP3   OH261511   3.349   3.253   3.472
 1840TIP3    H161512   3.409   3.315   3.425
 1840TIP3    H261513   3.322   3.306   3.549
 1840TIP3   OH261514   3.931   3.279   3.887
 1840TIP3    H161515   4.020   3.316   3.872
 1840TIP3    H261516   3.933   3.270   3.984
 1840TIP3   OH261517   3.532   3.431   3.317
 1840TIP3    H161518   3.597   3.380   3.266
 1840TIP3    H261519   3.587   3.471   3.385
 1840TIP3   OH261520   4.038   3.438   3.575
 1840TIP3    H161521   4.069   3.384   3.651
 1840TIP3    H261522   4.053   3.527   3.611
    1SOD    SOD61523   2.036   2.654   0.153
    2SOD    SOD61524   2.949   2.006  -1.899
    3SOD    SOD61525  -2.822  -1.822  -1.680
    4SOD    SOD61526   0.397   4.315   0.206
    5SOD    SOD61527   1.016  -1.430  -1.921
    6SOD    SOD61528  -2.856  -1.053  -0.754
    7SOD    SOD61529   0.094   0.370   4.192
    8SOD    SOD61530   2.908  -2.105  -2.933
    9SOD    SOD61531  -0.146  -3.133  -1.846
   10SOD    SOD61532   1.534  -0.498   1.891
   11SOD    SOD61533  -1.598  -2.489   1.463
   12SOD    SOD61534  -2.935  -1.085  -2.828
   13SOD    SOD61535   3.512  -1.722   1.006
   14SOD    SOD61536  -1.885  -3.724   1.031
   15SOD    SOD61537  -2.225   0.340   2.026
   16SOD    SOD61538   3.269   0.747  -0.948
   17SOD    SOD61539   3.158  -0.951   1.851
   18SOD    SOD61540   1.889   0.873  -1.924
   19SOD    SOD61541  -0.558  -0.850   3.619
   20SOD    SOD61542   0.858   1.305  -2.635
   21SOD    SOD61543  -3.209   3.370   1.664
   22SOD    SOD61544  -0.422   2.515  -4.272
   23SOD    SOD61545  -1.879   4.014   0.409
   24SOD    SOD61546  -3.358  -2.245  -3.811
   25SOD    SOD61547  -3.299  -0.324   1.475
   26SOD    SOD61548  -0.952  -2.303  -1.771
   27SOD    SOD61549   2.911  -1.052  -2.758
   28SOD    SOD61550  -0.267  -3.306   4.262
   29SOD    SOD61551   0.918   3.695  -1.899
   30SOD    SOD61552  -4.299  -0.431  -2.667
   31SOD    SOD61553  -0.718   1.652   2.890
   32SOD    SOD61554  -0.020  -2.170   0.131
   33SOD    SOD61555   3.200   0.124   2.221
   34SOD    SOD61556   3.427   1.930  -0.342
   35SOD    SOD61557   2.597   1.086   2.528
   36SOD    SOD61558   3.870   0.669   4.127
   37SOD    SOD61559  -4.168  -3.429  -1.413
   38SOD    SOD61560   0.551  -2.355  -0.171
   39SOD    SOD61561  -2.804   0.774   1.028
   40SOD    SOD61562   2.839  -3.487   3.061
   41SOD    SOD61563   0.475  -2.268   1.454
   42SOD    SOD61564  -0.047   2.795  -1.594
   43SOD    SOD61565  -3.119   1.785  -0.175
   44SOD    SOD61566   3.692   3.565   2.568
   45SOD    SOD61567   1.160  -2.677   0.405
   46SOD    SOD61568   2.182   2.098  -4.358
   47SOD    SOD61569   2.499  -3.552   3.622
   48SOD    SOD61570  -3.150   2.637   2.545
   49SOD    SOD61571  -3.611  -1.369  -0.304
   50SOD    SOD61572   3.179   4.217  -1.914
   51SOD    SOD61573  -1.544   3.385   3.985
   52SOD    SOD61574   3.906   3.226   3.286
   53SOD    SOD61575  -1.400   1.258  -2.542
   54SOD    SOD61576   0.624   4.043   2.421
   55SOD    SOD61577  -0.572  -3.952   2.807
   56SOD    SOD61578  -2.287   2.496  -1.486
   57SOD    SOD61579  -4.296  -1.353   4.117
   58SOD    SOD61580   4.009   2.333  -1.543
   59SOD    SOD61581   3.981   3.781  -3.393
   60SOD    SOD61582  -2.801  -0.902   2.131
   61SOD    SOD61583   0.054   2.141  -3.123
   62SOD    SOD61584   1.742  -1.695  -3.684
   63SOD    SOD61585  -1.328   3.677   3.172
   64SOD    SOD61586   2.023  -1.550   1.871
   65SOD    SOD61587  -3.781   1.811   2.706
   66SOD    SOD61588  -1.564   0.724   2.624
   67SOD    SOD61589  -1.457  -1.438   1.916
   68SOD    SOD61590   3.938  -1.495  -0.104
   69SOD    SOD61591  -4.177   0.685  -3.156
   70SOD    SOD61592  -3.475  -2.557   3.364
   71SOD    SOD61593   3.843  -1.704   1.945
   72SOD    SOD61594  -3.065   1.131  -3.142
   73SOD    SOD61595   2.911   3.091   3.254
   74SOD    SOD61596  -0.146  -3.447  -3.468
   75SOD    SOD61597   4.142   1.150   2.128
    1CLA    CLA61598   3.723   3.931  -0.432
    2CLA    CLA61599   0.598  -3.410  -1.411
    3CLA    CLA61600   0.305  -4.033   0.027
    4CLA    CLA61601  -2.918  -1.991  -2.129
    5CLA    CLA61602   3.212   2.681  -1.461
    6CLA    CLA61603  -1.276   3.890   3.970
    7CLA    CLA61604  -4.135  -0.631  -2.109
    8CLA    CLA61605  -4.010   1.992   2.188
    9CLA    CLA61606  -3.787  -1.064  -2.665
   10CLA    CLA61607  -2.251   4.155   1.278
   11CLA    CLA61608   3.522   3.373  -3.509
   12CLA    CLA61609  -4.010   0.565  -0.240
   13CLA    CLA61610   3.902  -1.240  -4.037
   14CLA    CLA61611   1.826  -3.945   2.374
   15CLA    CLA61612   0.618   4.143  -3.510
   16CLA    CLA61613   2.436   1.511   3.939
   17CLA    CLA61614   0.689   2.163  -1.864
   18CLA    CLA61615   2.174   0.614   3.695
   19CLA    CLA61616   3.731  -0.836   3.639
   20CLA    CLA61617  -0.300  -2.083   2.310
   21CLA    CLA61618   0.286   1.863  -2.782
   22CLA    CLA61619   0.444  -1.592   4.280
   23CLA    CLA61620  -3.682  -0.965   2.751
   24CLA    CLA61621   3.059  -2.653  -1.385
   25CLA    CLA61622   0.268   1.480   3.096
   26CLA    CLA61623   2.985  -1.145  -1.289
   27CLA    CLA61624   4.257  -1.638   3.915
   28CLA    CLA61625   2.109   2.268   2.707
   29CLA    CLA61626   3.148   2.184  -0.946
   30CLA    CLA61627  -4.279   3.311  -4.200
   31CLA    CLA61628   4.121   2.646   2.804
   32CLA    CLA61629   3.133  -2.321   3.087
   33CLA    CLA61630  -1.188   2.475   1.768
   34CLA    CLA61631   4.251   4.197   2.967
   35CLA    CLA61632  -2.115  -2.591   4.099
   36CLA    CLA61633  -1.664   3.340  -2.049
   37CLA    CLA61634   2.401   1.685   0.376
   38CLA    CLA61635  -0.304  -2.623  -0.695
   39CLA    CLA61636  -2.524  -2.953  -1.453
   40CLA    CLA61637   3.494  -2.888  -3.669
   41CLA    CLA61638  -3.591  -0.671   0.327
   42CLA    CLA61639  -3.097   0.461  -3.295
   43CLA    CLA61640  -0.581   1.524   4.242
   44CLA    CLA61641   3.940   1.881  -1.383
   45CLA    CLA61642  -1.581   2.921  -3.738
   46CLA    CLA61643   0.009  -3.649  -3.486
   47CLA    CLA61644  -1.288  -4.010   3.837
   48CLA    CLA61645  -2.419   1.919   3.696
   49CLA    CLA61646   1.622  -1.819  -2.941
   50CLA    CLA61647   3.465  -0.771  -3.287
   51CLA    CLA61648  -2.032  -3.900   0.685
   52CLA    CLA61649  -2.845   0.061  -2.584
   0.00000   0.00000   0.00000