annotate CADDSuite-1.5/data/OpenBabel/mmffang.par @ 7:bfab27640f5e draft

CADDSuite version 1.5

*
*                 Copyright (c) Merck and Co., Inc., 1994
*                           All Rights Reserved
*
* MMFF ANGLE PARAMETERS- Rev:  26-Oct-94  Source: MMFF94
* C94  = CORE MMFF94 parameter - obtained from ab initio data
* X94  = EXTD MMFF94 parameter - fit to additional ab initio data
* E94  = theta0 from fit to X-ray data, ka from empirical rule
* #E94 = theta0 and ka both from empirical rules
*
*      types         ka     theta0    Comment/origin
0   0    1    0     0.000   108.900   0:*-1-* MMFF94 DEF
0   1    1    1     0.851   109.608   C94
0   1    1    2     0.736   109.445   C94
0   1    1    3     0.777   107.517   C94
0   1    1    4     1.006   110.265   E94
0   1    1    5     0.636   110.549   C94
0   1    1    6     0.992   108.133   C94
0   1    1    8     0.777   108.290   C94
0   1    1    9     1.136   108.194   E94
0   1    1   10     1.050   109.960   C94
0   1    1   11     1.225   108.313   C94
0   1    1   12     1.056   108.679   C94
0   1    1   13     1.078   106.820   E94
0   1    1   14     0.980   109.945   E94
0   1    1   15     0.743   107.397   C94
0   1    1   17     1.089   108.578   E94
0   1    1   18     1.093   109.315   E94
0   1    1   19     0.755   115.436   E94
0   1    1   20     1.021   108.659   E94
0   1    1   22     1.001   110.125   E94
0   1    1   25     0.803   112.356   X94
0   1    1   26     0.833   109.879   E94
0   1    1   34     1.179   106.493   C94
0   1    1   37     0.756   108.617   C94
0   1    1   39     0.927   109.170   C94
0   1    1   40     1.130   108.678   E94
0   1    1   41     0.330    98.422   C94
0   1    1   43     1.135   108.019   E94
0   1    1   45     1.197   105.028   E94
0   1    1   54     1.173   106.424   E94
0   1    1   55     1.150   107.604   E94
0   1    1   56     1.199   110.371   C94
0   1    1   57     1.012   109.900   E94
0   1    1   58     1.179   106.327   E94
0   1    1   61     1.125   109.311   E94
0   1    1   63     1.006   110.058   E94
0   1    1   64     0.988   111.064   E94
0   1    1   67     1.216   104.557   E94
0   1    1   68     1.018   107.195   C94
0   1    1   73     1.160   104.658   E94
0   1    1   78     1.012   109.850   E94
0   1    1   80     0.947   113.327   E94
0   1    1   81     1.108   109.837   E94
0   2    1    2     1.113   111.453   C94
0   2    1    3     0.667   104.829   C94
0   2    1    4     1.022   109.873   E94
0   2    1    5     0.632   110.292   C94
0   2    1    6     1.074   108.699   C94
0   2    1    8     0.884   111.553   C94
0   2    1    9     1.118   109.577   E94
0   2    1   10     1.160   107.963   E94
0   2    1   11     1.192   110.419   E94
0   2    1   12     1.070   109.410   E94
0   2    1   15     1.078   109.560   E94
0   2    1   17     1.077   109.434   E94
0   2    1   18     1.188   105.110   E94
0   2    1   20     1.053   107.448   E94
0   2    1   22     0.942   114.020   E94
0   2    1   25     0.893   106.815   E94
0   2    1   26     1.029    99.065   E94
0   2    1   34     1.066   111.817   E94
0   2    1   37     0.985   111.446   E94
0   2    1   39     1.124   109.513   E94
0   2    1   40     1.149   108.270   E94
0   2    1   45     1.232   103.978   E94
0   2    1   63     0.935   114.692   E94
0   2    1   67     1.224   104.687   E94
0   3    1    3     0.974   111.746   E94
0   3    1    4     1.019   109.850   E94
0   3    1    5     0.650   108.385   C94
0   3    1    6     0.528   104.112   C94
0   3    1    8     1.197   105.837   E94
0   3    1    9     1.201   105.535   E94
0   3    1   10     0.634   102.655   C94
0   3    1   11     1.189   110.328   E94
0   3    1   12     1.136   106.064   E94
0   3    1   13     1.147   103.645   E94
0   3    1   14     1.048   106.404   E94
0   3    1   15     1.125   107.192   E94
0   3    1   17     1.092   108.602   E94
0   3    1   18     1.120   108.119   E94
0   3    1   20     0.969   111.830   E94
0   3    1   22     0.999   110.522   E94
0   3    1   26     0.742   116.555   E94
0   3    1   34     1.141   107.871   E94
0   3    1   37     1.011   109.833   E94
0   3    1   39     1.136   108.751   E94
0   3    1   40     1.174   106.941   E94
0   3    1   41     1.033   108.216   E94
0   3    1   45     1.221   104.281   E94
0   3    1   63     1.069   107.077   E94
0   3    1   64     1.028   109.186   E94
0   3    1   81     1.167   107.327   E94
0   4    1    4     0.954   114.186   E94
0   4    1    5     0.615   111.417   X94
0   4    1    6     1.273   109.977   E94
0   4    1    8     1.099   111.063   E94
0   4    1    9     1.187   106.750   E94
0   4    1   10     1.117   110.488   E94
0   4    1   13     1.021   110.047   E94
0   4    1   15     1.028   112.432   E94
0   4    1   18     1.187   105.351   E94
0   4    1   22     1.174   102.556   E94
0   4    1   26     0.853   108.999   E94
0   4    1   34     1.148   108.160   E94
0   4    1   37     0.993   111.424   E94
0   5    1    5     0.516   108.836   C94
0   5    1    6     0.781   108.577   C94
0   5    1    8     0.653   110.297   C94
0   5    1    9     0.733   109.894   C94
0   5    1   10     0.740   107.646   C94
0   5    1   11     0.875   107.897   C94
0   5    1   12     0.698   108.162   C94
0   5    1   13     0.613   106.049   E94
0   5    1   14     0.508   113.019   E94
0   5    1   15     0.576   109.609   C94
0   5    1   17     0.634   107.944   X94
0   5    1   18     0.663   106.855   X94
0   5    1   19     0.450   113.195   X94
0   5    1   20     0.706   111.000   C94
0   5    1   22     0.618   110.380   E94
0   5    1   25     0.487   109.486   X94
0   5    1   26     0.466   111.172   X94
0   5    1   34     0.872   106.224   C94
0   5    1   35     0.644   125.663   X94
0   5    1   37     0.627   109.491   C94
0   5    1   39     0.811   106.299   C94
0   5    1   40     0.719   109.870   C94
0   5    1   41     0.525   108.904   C94
0   5    1   43     0.692   109.083   X94
0   5    1   45     0.741   105.197   X94
0   5    1   46     0.719   106.735   X94
0   5    1   54     0.874   106.973   C94
0   5    1   55     0.861   108.507   C94
0   5    1   56     0.814   108.223   C94
0   5    1   57     0.626   110.420   E94
0   5    1   58     0.750   105.481   E94
0   5    1   61     0.710   109.227   X94
0   5    1   62     0.655   113.035   X94
0   5    1   63     0.621   110.467   E94
0   5    1   64     0.622   110.457   E94
0   5    1   67     0.732   106.474   E94
0   5    1   68     0.748   103.817   C94
0   5    1   72     0.547   116.576   X94
0   5    1   73     0.633   107.153   X94
0   5    1   78     0.640   109.078   E94
0   5    1   80     0.684   105.144   E94
0   5    1   81     0.721   107.870   E94
0   6    1    6     1.156   111.368   C94
0   6    1    8     1.333   112.223   E94
0   6    1    9     1.224   116.950   E94
0   6    1   10     1.432   108.568   E94
0   6    1   11     1.593   106.900   E94
0   6    1   15     1.273   112.012   E94
0   6    1   17     1.348   108.655   E94
0   6    1   19     0.906   117.214   E94
0   6    1   20     1.293   108.202   E94
0   6    1   22     1.287   108.913   E94
0   6    1   25     1.171   103.598   E94
0   6    1   26     0.888   118.433   E94
0   6    1   34     1.257   114.975   E94
0   6    1   37     0.878   107.978   C94
0   6    1   39     1.485   106.464   E94
0   6    1   40     1.371   110.779   E94
0   6    1   41     1.333   106.467   E94
0   6    1   45     1.523   104.438   E94
0   6    1   57     1.308   108.467   E94
0   6    1   63     1.351   106.535   E94
0   6    1   64     1.238   111.308   E94
0   8    1    8     1.203   110.856   E94
0   8    1    9     1.133   114.080   E94
0   8    1   10     1.258   108.683   E94
0   8    1   12     1.217   107.251   E94
0   8    1   15     1.120   112.356   E94
0   8    1   20     1.116   109.353   E94
0   8    1   25     1.143    98.698   E94
0   8    1   34     1.138   113.412   E94
0   8    1   37     1.090   110.992   E94
0   8    1   39     1.364   104.193   E94
0   8    1   40     0.964   123.962   E94
0   8    1   41     1.234   103.868   E94
0   8    1   43     1.137   113.596   E94
0   8    1   45     1.583    96.139   E94
0   8    1   57     1.038   114.266   E94
0   8    1   63     1.104   110.598   E94
0   8    1   64     1.156   108.127   E94
0   9    1   10     1.209   110.720   E94
0   9    1   12     1.173   109.152   E94
0   9    1   15     1.024   117.465   E94
0   9    1   25     1.060   102.432   E94
0   9    1   37     1.077   111.565   E94
0   9    1   40     1.084   116.728   E94
0   9    1   80     1.163   107.509   E94
0  10    1   10     1.191   111.995   E94
0  10    1   15     1.161   110.502   E94
0  10    1   17     1.269   105.509   E94
0  10    1   20     1.220   104.838   E94
0  10    1   22     1.132   109.262   E94
0  10    1   25     1.015   104.822   E94
0  10    1   37     1.107   110.423   E94
0  10    1   40     1.264   108.536   E94
0  10    1   41     1.087   110.961   E94
0  10    1   57     1.268   103.622   E94
0  11    1   11     1.638   106.081   C94
0  11    1   15     1.254   109.517   E94
0  11    1   20     1.243   107.637   E94
0  11    1   25     1.244    97.532   E94
0  11    1   34     1.338   108.669   E94
0  11    1   35     1.556   110.367   E94
0  11    1   37     1.151   112.278   E94
0  11    1   41     1.301   105.053   E94
0  11    1   45     1.550   100.991   E94
0  11    1   73     1.303   106.569   E94
0  11    1   75     0.884   114.378   E94
0  12    1   12     1.096   110.422   C94
0  12    1   15     1.146   111.064   E94
0  12    1   18     1.299   104.827   E94
0  12    1   19     0.932   108.971   E94
0  12    1   20     1.081   108.605   E94
0  12    1   22     1.097   108.028   E94
0  12    1   25     0.989   106.118   E94
0  12    1   37     1.076   109.030   E94
0  12    1   39     1.150   110.359   E94
0  12    1   45     1.353   101.430   E94
0  12    1   63     1.071   109.474   E94
0  12    1   64     1.093   108.338   E94
0  13    1   13     1.093   111.645   E94
0  13    1   20     1.084   106.534   E94
0  13    1   22     1.068   107.469   E94
0  13    1   45     1.305   101.383   E94
0  14    1   20     1.021   107.718   E94
0  15    1   15     1.147   111.896   E94
0  15    1   25     1.059   103.308   E94
0  15    1   34     1.222   107.318   E94
0  15    1   37     1.051   110.959   E94
0  15    1   40     1.149   111.005   E94
0  15    1   41     1.263   100.981   E94
0  15    1   63     1.060   110.596   E94
0  15    1   64     1.059   110.703   E94
0  15    1   73     1.289   105.029   E94
0  17    1   37     1.065   110.049   E94
0  18    1   20     1.121   107.960   E94
0  18    1   22     1.283   101.125   E94
0  18    1   37     1.203   104.390   E94
0  18    1   45     1.287   105.273   E94
0  18    1   64     1.093   109.683   E94
0  19    1   54     0.772   119.506   E94
0  20    1   20     1.229    99.084   E94
0  20    1   37     1.052   107.428   E94
0  20    1   45     1.169   106.335   E94
0  22    1   22     0.990   111.226   E94
0  22    1   25     0.885   107.293   E94
0  22    1   34     1.045   112.940   E94
0  22    1   37     1.037   108.586   E94
0  22    1   45     1.182   106.181   E94
0  25    1   25     0.551   127.138   E94
0  25    1   34     0.779   119.271   E94
0  25    1   37     0.784   113.945   E94
0  25    1   40     1.062   102.417   E94
0  25    1   58     0.916   110.234   E94
0  26    1   26     0.625   118.700   E94
0  34    1   34     1.216   109.167   E94
0  34    1   37     1.075   111.275   E94
0  34    1   41     1.048   112.238   E94
0  34    1   63     1.077   111.412   E94
0  34    1   73     1.142   110.240   E94
0  37    1   37     0.986   111.315   E94
0  37    1   40     1.129   109.188   E94
0  37    1   43     1.074   111.478   E94
0  37    1   45     1.259   102.800   E94
0  37    1   57     0.981   112.047   E94
0  37    1   64     1.175   102.239   E94
0  37    1   68     1.100   109.983   E94
0  37    1   78     1.005   110.638   E94
0  37    1   81     1.176   107.040   E94
0  39    1   39     1.260   108.547   E94
0  40    1   40     1.182   112.005   E94
0  40    1   55     1.322   105.786   E94
0  40    1   63     1.032   114.505   E94
0  40    1   64     1.000   116.376   E94
0  41    1   41     1.082   105.400   E94
0  41    1   63     1.061   107.112   E94
0  41    1   81     1.093   110.553   E94
0  45    1   45     1.391   102.088   E94
0   0    2    0     0.000   119.400   0:*-2-* MMFF94 DEF
1   0    2    0     0.000   118.200   0:*-2-* MMFF94 DEF
2   0    2    0     0.000   120.800   2::*-2-* MMFF94 DEF
3   0    2    0     0.000    62.600   3::*-2-* MMFF94 DEF
6   0    2    0     0.000    60.500   6:*-2-* MMFF94 DEF
0   1    2    1     0.752   118.043   C94
0   1    2    2     0.672   122.141   C94
1   1    2    2     0.684   116.929   C94
1   1    2    3     0.698   116.104   C94
0   1    2    4     0.828   125.045   E94
1   1    2    4     0.846   121.613   E94
0   1    2    5     0.446   120.108   C94
0   1    2    6     1.160   115.518   E94
0   1    2   10     1.015   116.707   E94
0   1    2   12     0.983   115.343   E94
0   1    2   13     0.964   115.395   E94
0   1    2   15     0.939   119.465   E94
0   1    2   17     0.883   121.868   E94
0   1    2   18     0.961   117.918   E94
0   1    2   20     0.880   118.310   E94
0   1    2   22     0.873   119.114   E94
0   1    2   30     0.826   124.605   E94
1   1    2   37     0.721   116.064   C94
0   1    2   40     0.982   118.515   E94
0   1    2   45     1.121   109.921   E94
0   1    2   56     1.006   117.192   E94
1   1    2   63     0.768   127.945   E94
1   1    2   64     0.966   113.884   E94
1   1    2   67     1.115   110.185   E94
1   2    2    2     0.747   121.550   C94
2   2    2    2     0.796   126.284   E94
6   2    2    2     0.173    60.549   E94
1   2    2    3     0.545   111.297   C94
2   2    2    3     0.893   118.456   E94
5   2    2    3     0.184    59.145   E94
1   2    2    4     0.902   121.053   E94
2   2    2    4     0.889   119.794   E94
0   2    2    5     0.535   121.004   C94
1   2    2    5     0.463   118.442   C94
0   2    2    6     1.117   121.267   C94
1   2    2    6     1.204   114.538   E94
1   2    2    9     0.960   123.536   E94
2   2    2    9     1.045   116.273   E94
0   2    2   10     1.003   120.828   E94
1   2    2   10     1.026   117.324   E94
0   2    2   11     1.089   119.100   X94
1   2    2   11     1.090   116.828   E94
0   2    2   12     0.931   120.132   X94
1   2    2   12     0.957   117.526   E94
0   2    2   13     0.867   122.717   E94
0   2    2   14     0.818   122.584   E94
1   2    2   14     0.819   122.344   E94
0   2    2   15     0.931   121.553   E94
1   2    2   15     0.949   119.466   E94
0   2    2   17     0.977   117.167   E94
0   2    2   18     1.044   114.561   E94
0   2    2   19     0.668   124.721   E94
0   2    2   20     0.931   117.784   E94
0   2    2   22     0.809   126.820   E94
3   2    2   22     0.149    66.165   E94
0   2    2   25     0.700   123.830   E94
0   2    2   34     1.066   116.151   E94
0   2    2   35     0.911   137.103   X94
1   2    2   37     0.598   117.508   C94
2   2    2   37     0.817   124.229   E94
1   2    2   39     0.976   122.360   E94
0   2    2   40     0.773   126.830   C94
1   2    2   40     0.976   120.132   E94
0   2    2   41     0.432   110.442   C94
0   2    2   43     1.144   111.808   E94
0   2    2   45     1.194   109.231   X94
1   2    2   45     1.062   113.984   E94
0   2    2   46     1.005   121.534   E94
0   2    2   55     0.995   121.154   E94
0   2    2   56     1.234   108.879   E94
0   2    2   62     0.808   135.269   X94
1   2    2   63     0.948   118.277   E94
1   2    2   64     0.866   123.528   E94
2   2    2   64     0.859   121.998   E94
1   2    2   67     1.132   112.136   E94
0   2    2   72     0.770   134.269   X94
1   2    2   81     1.078   116.541   E94
2   3    2    3     0.853   120.370   E94
2   3    2    4     0.878   119.739   E94
1   3    2    5     0.487   117.291   C94
1   3    2    6     1.142   116.738   E94
2   3    2    9     1.005   117.648   E94
1   3    2   10     1.039   115.698   E94
1   3    2   11     1.150   112.876   E94
1   3    2   12     0.997   114.732   E94
1   3    2   13     0.946   116.643   E94
1   3    2   14     0.891   117.111   E94
1   3    2   15     1.023   114.635   E94
1   3    2   20     0.870   119.265   E94
1   3    2   22     0.816   123.510   E94
1   3    2   30     1.025   112.209   E94
1   3    2   34     1.099   111.723   E94
1   3    2   35     1.141   118.767   E94
2   3    2   37     0.868   119.758   E94
1   3    2   40     1.024   116.408   E94
1   3    2   41     0.855   119.505   E94
1   3    2   43     1.046   114.257   E94
1   3    2   45     1.077   112.401   E94
1   3    2   46     1.066   114.841   E94
2   4    2    4     0.832   124.158   E94
0   4    2    5     0.573   121.000   #E94
1   4    2    5     0.545   120.000   #E94
2   4    2    9     0.973   120.845   E94
1   4    2   15     0.906   122.447   E94
1   4    2   18     0.947   119.537   E94
1   4    2   30     0.819   126.938   E94
2   4    2   37     0.864   121.093   E94
1   4    2   40     1.083   114.355   E94
1   4    2   45     1.158   109.426   E94
2   4    2   63     0.860   122.442   E94
0   5    2    5     0.365   119.523   C94
0   5    2    6     0.589   108.757   C94
1   5    2    9     0.643   117.000   #E94
0   5    2   10     0.667   114.859   E94
0   5    2   11     0.795   108.186   X94
0   5    2   12     0.622   110.650   X94
0   5    2   13     0.566   113.513   E94
0   5    2   15     0.546   119.562   E94
0   5    2   17     0.492   124.000   #E94
0   5    2   18     0.548   119.053   E94
0   5    2   22     0.534   120.000   #E94
0   5    2   25     0.395   124.000   #E94
0   5    2   30     0.572   120.000   #E94
0   5    2   35     0.682   124.164   X94
1   5    2   37     0.491   117.423   C94
1   5    2   39     0.655   115.724   E94
0   5    2   40     0.568   112.322   C94
0   5    2   41     0.294   123.706   C94
0   5    2   45     0.728   107.774   X94
0   5    2   55     0.651   116.000   #E94
0   5    2   62     0.568   125.344   X94
1   5    2   63     0.550   120.000   #E94
1   5    2   64     0.546   120.000   #E94
0   5    2   72     0.531   122.009   X94
1   5    2   81     0.665   115.000   #E94
1   6    2    9     1.214   120.520   E94
0   6    2   10     1.311   115.921   E94
0   6    2   22     1.080   120.560   E94
0   6    2   35     1.172   132.391   E94
1   6    2   37     1.198   114.441   E94
0   6    2   40     1.239   119.073   E94
0   6    2   45     1.637   102.438   E94
1   9    2   10     1.098   119.802   E94
1   9    2   15     0.915   127.574   E94
2   9    2   37     0.981   119.536   E94
1   9    2   40     0.922   130.521   E94
0  10    2   12     1.144   112.723   E94
0  10    2   15     1.078   117.519   E94
0  10    2   25     1.144   100.818   E94
1  10    2   37     1.021   117.139   E94
0  10    2   40     0.988   126.034   E94
0  10    2   41     0.951   120.000   E94
0  12    2   12     1.012   119.105   E94
0  12    2   17     1.110   114.206   E94
0  12    2   18     1.201   110.553   E94
0  12    2   19     0.704   126.646   E94
0  12    2   20     0.903   120.563   E94
0  12    2   30     0.892   122.753   E94
1  12    2   37     0.976   116.136   E94
0  12    2   45     1.076   115.543   E94
0  13    2   18     1.132   113.616   E94
0  15    2   15     0.996   123.027   E94
0  15    2   35     0.950   133.654   E94
1  15    2   37     1.007   115.757   E94
0  15    2   40     0.895   128.924   E94
0  17    2   17     1.051   117.955   E94
1  18    2   37     1.183   106.608   E94
0  22    2   22     0.841   122.108   E94
3  22    2   22     0.180    58.963   E94
1  22    2   37     0.806   124.693   E94
1  30    2   37     0.849   123.816   E94
1  35    2   37     0.991   128.032   E94
0  40    2   40     0.949   128.436   E94
0  40    2   56     1.072   120.987   E94
1  40    2   63     0.922   124.268   E94
1  40    2   64     0.955   121.881   E94
0  40    2   72     0.820   135.317   E94
0  45    2   45     1.284   108.095   E94
2  64    2   64     0.888   120.342   E94
0   0    3    0     0.000   117.300   0:*-3-* MMFF94 DEF
1   0    3    0     0.000   115.800   1:*-3-* MMFF94 DEF
4   0    3    0     0.000    90.800   4:*-3-* MMFF94 DEF
7   0    3    0     0.000    91.100   7:*-3-* MMFF94 DEF
8   0    3    0     0.000    88.900   7:*-3-* MMFF94 DEF
0   1    3    1     1.151   118.016   C94
1   1    3    2     1.106   116.853   C94
1   1    3    3     1.214   114.612   C94
0   1    3    5     0.808   117.280   C94
0   1    3    6     1.043   109.716   C94
0   1    3    7     0.938   124.410   C94
0   1    3    9     0.978   119.788   E94
1   1    3    9     1.038   115.132   E94
0   1    3   10     0.984   112.735   C94
0   1    3   12     1.007   113.972   E94
0   1    3   15     1.024   113.612   E94
0   1    3   16     0.949   119.986   E94
0   1    3   18     0.732   134.097   E94
0   1    3   20     0.830   120.312   E94
0   1    3   22     0.928   115.001   E94
0   1    3   35     1.058   122.808   E94
1   1    3   37     1.051   115.191   C94
1   1    3   39     1.178   107.895   E94
0   1    3   40     0.979   118.457   E94
0   1    3   41     0.897   116.681   E94
0   1    3   43     1.046   113.731   X94
0   1    3   45     1.132   109.019   E94
0   1    3   51     1.160   116.573   X94
0   1    3   53     1.052   115.065   X94
0   1    3   54     1.135   111.322   E94
1   1    3   58     1.162   108.129   E94
0   1    3   62     1.119   111.523   E94
1   1    3   63     0.909   117.001   E94
1   1    3   64     0.887   118.253   E94
0   1    3   67     1.142   110.666   E94
0   1    3   74     1.010   116.851   X94
0   1    3   75     0.646   128.037   X94
2   2    3    2     0.976   112.562   E94
6   2    3    2     0.157    62.792   E94
2   2    3    3     0.957   113.239   E94
1   2    3    5     0.901   115.350   C94
1   2    3    6     0.932   106.510   C94
1   2    3    7     0.936   122.623   C94
1   2    3    9     0.831   122.253   C94
2   2    3    9     1.120   111.408   E94
1   2    3   10     1.042   111.721   C94
1   2    3   12     0.901   120.769   E94
1   2    3   15     1.057   112.105   E94
1   2    3   16     0.881   124.850   E94
1   2    3   22     0.969   113.027   E94
1   2    3   25     0.853   109.794   E94
2   2    3   37     0.973   112.935   E94
2   2    3   39     1.197   107.592   E94
1   2    3   40     0.910   123.437   E94
1   2    3   43     1.105   111.169   E94
1   2    3   53     1.082   114.032   E94
1   2    3   54     1.012   118.588   E94
1   2    3   55     1.186   107.278   E94
1   2    3   56     1.151   108.909   E94
2   2    3   63     0.918   116.947   E94
2   2    3   64     1.033   110.084   E94
1   2    3   67     1.022   117.597   E94
2   3    3    3     0.822   121.775   E94
8   3    3    3     1.280    89.965   E94
1   3    3    5     0.943   113.762   C94
1   3    3    6     0.935   103.030   C94
1   3    3    7     0.919   117.024   C94
1   3    3    9     1.050   115.704   E94
1   3    3   10     1.129   110.421   E94
1   3    3   12     1.053   111.492   E94
1   3    3   15     1.390    97.562   E94
1   3    3   16     1.092   111.888   E94
1   3    3   20     0.977   110.910   E94
1   3    3   22     1.010   110.295   E94
8   3    3   30     1.353    87.789   E94
2   3    3   37     0.932   114.949   E94
2   3    3   39     1.237   105.384   E94
1   3    3   40     1.003   117.124   E94
1   3    3   41     0.790   124.361   E94
1   3    3   45     0.919   121.023   E94
1   3    3   53     1.170   109.169   E94
2   3    3   63     0.981   112.685   E94
2   3    3   64     0.880   118.840   E94
1   3    3   67     1.119   111.860   E94
1   4    3    6     1.269   111.750   E94
1   4    3    7     1.126   120.852   E94
1   4    3    9     1.192   109.833   E94
2   4    3   37     0.964   114.081   E94
0   5    3    5     0.594   116.699   C94
0   5    3    6     0.819   108.253   C94
0   5    3    7     0.670   123.439   C94
0   5    3    9     0.623   119.491   C94
1   5    3    9     0.638   117.168   E94
0   5    3   10     0.874   111.761   C94
0   5    3   16     0.522   124.405   E94
1   5    3   37     0.564   116.400   E94
0   5    3   40     0.959   111.684   C94
0   5    3   53     0.644   118.000   #E94
0   5    3   54     0.816   115.471   C94
1   5    3   63     0.559   118.000   #E94
1   5    3   64     0.566   117.000   #E94
0   5    3   67     0.700   113.698   E94
0   6    3    6     1.678   109.094   E94
0   6    3    7     1.155   124.425   C94
0   6    3    9     1.275   119.478   E94
1   6    3    9     1.416   111.868   E94
0   6    3   10     1.405   112.187   E94
0   6    3   16     1.269   116.317   E94
0   6    3   20     1.182   113.581   E94
4   6    3   20     1.495    93.130   E94
0   6    3   22     1.276   110.826   E94
7   6    3   30     1.530    93.191   E94
1   6    3   37     0.808   102.881   C94
1   6    3   39     1.611   104.655   E94
0   6    3   40     1.371   113.565   E94
0   6    3   41     1.477   102.658   E94
0   6    3   43     1.330   114.183   E94
0   6    3   48     1.315   115.328   E94
0   6    3   51     1.409   120.427   E94
0   6    3   54     1.495   110.510   E94
0   6    3   62     1.421   112.542   E94
1   6    3   63     1.339   109.082   E94
1   6    3   64     1.267   111.993   E94
1   6    3   80     1.256   113.698   E94
1   7    3    9     1.147   127.084   E94
0   7    3   10     0.907   127.152   C94
0   7    3   12     0.984   130.049   E94
0   7    3   15     1.101   123.313   E94
0   7    3   20     0.713   129.492   C94
0   7    3   22     1.093   121.851   E94
1   7    3   30     0.972   129.010   E94
1   7    3   37     0.734   119.968   C94
1   7    3   39     1.352   116.727   E94
0   7    3   41     1.281   112.087   E94
0   7    3   43     1.163   124.549   X94
0   7    3   48     1.114   127.879   E94
1   7    3   54     1.288   114.184   E94
0   7    3   55     1.258   120.056   E94
0   7    3   56     1.175   123.854   E94
1   7    3   58     1.323   117.081   E94
0   7    3   62     1.129   129.349   E94
1   7    3   63     1.036   126.456   E94
1   7    3   64     1.071   124.133   E94
1   7    3   78     0.955   132.047   E94
1   9    3    9     1.119   120.094   E94
2   9    3    9     1.021   124.131   E94
0   9    3   10     1.105   120.697   E94
1   9    3   10     1.154   116.608   E94
0   9    3   12     1.056   118.046   E94
0   9    3   15     1.036   119.679   E94
1   9    3   15     1.042   118.787   E94
1   9    3   16     0.936   127.665   E94
0   9    3   17     1.035   117.902   E94
0   9    3   18     1.121   114.698   E94
0   9    3   20     0.951   120.437   E94
0   9    3   22     1.040   116.861   E94
0   9    3   25     0.955   109.442   E94
0   9    3   35     1.054   134.470   E94
1   9    3   37     0.997   119.569   E94
2   9    3   37     1.060   114.740   E94
0   9    3   40     0.844   128.078   C94
1   9    3   40     1.018   124.152   E94
0   9    3   41     1.114   112.513   E94
0   9    3   45     1.497   102.140   E94
2   9    3   54     1.244   108.056   E94
1   9    3   57     1.038   118.096   E94
1   9    3   63     1.004   120.054   E94
1   9    3   64     1.053   117.060   E94
1   9    3   80     0.959   124.150   E94
0  10    3   10     1.612   114.923   C94
0  10    3   15     1.167   112.206   E94
0  10    3   16     1.005   123.150   E94
0  10    3   18     1.299   106.052   E94
0  10    3   20     1.019   115.213   E94
4  10    3   20     1.338    92.724   E94
0  10    3   22     1.076   113.651   E94
7  10    3   30     1.438    90.508   E94
0  10    3   35     1.223   122.649   E94
1  10    3   37     1.101   112.495   E94
1  10    3   39     1.434   104.419   E94
0  10    3   40     1.093   119.697   E94
0  10    3   43     1.144   115.929   E94
0  10    3   51     1.375   114.685   E94
0  10    3   55     1.286   109.590   E94
0  10    3   56     1.200   113.168   E94
1  10    3   63     1.075   114.623   E94
1  10    3   64     1.098   113.233   E94
1  10    3   78     1.182   109.543   E94
0  11    3   40     1.296   113.244   E94
0  11    3   75     0.850   120.964   E94
0  12    3   40     1.095   115.284   E94
1  12    3   63     0.965   117.217   E94
0  12    3   74     1.110   116.502   E94
0  15    3   15     1.109   115.620   E94
0  15    3   16     0.981   124.329   E94
0  15    3   17     1.191   110.607   E94
0  15    3   18     1.061   118.034   E94
4  15    3   20     1.345    91.041   E94
1  15    3   30     1.026   113.753   E94
1  15    3   37     1.037   113.305   E94
0  15    3   40     1.066   117.388   E94
1  15    3   57     0.896   122.260   E94
0  15    3   67     1.407   102.583   E94
0  15    3   74     1.076   119.117   E94
1  16    3   30     0.991   117.695   E94
0  16    3   35     1.030   130.230   E94
1  16    3   37     0.934   121.415   E94
1  16    3   39     1.004   123.196   E94
0  16    3   62     0.963   126.347   E94
1  16    3   63     1.006   117.454   E94
1  16    3   64     1.064   114.110   E94
0  17    3   17     0.939   123.528   E94
1  18    3   37     0.948   118.188   E94
4  20    3   20     1.495    94.800   C94
4  20    3   22     1.286    89.459   E94
7  20    3   37     1.282    89.733   E94
4  20    3   43     1.384    90.526   E94
0  22    3   22     0.932   115.334   E94
4  22    3   22     1.496    83.915   E94
1  22    3   37     0.940   114.995   E94
1  25    3   37     0.677   123.404   E94
0  25    3   67     0.661   131.520   E94
2  37    3   37     0.933   115.566   E94
1  37    3   40     0.987   118.790   E94
1  37    3   41     0.864   119.565   E94
1  37    3   43     1.125   110.383   X94
1  37    3   45     1.120   110.268   E94
1  37    3   54     1.033   117.645   E94
1  37    3   62     1.085   114.132   E94
2  37    3   63     0.934   116.163   E94
2  37    3   64     0.955   114.701   E94
1  37    3   67     1.084   114.460   E94
2  39    3   39     1.231   112.582   E94
0  40    3   40     1.146   117.002   C94
1  40    3   63     0.888   126.089   E94
1  40    3   64     1.145   110.889   E94
0  40    3   75     0.790   122.163   E94
0  45    3   53     1.382   105.849   E94
1  55    3   64     1.267   104.747   E94
2  64    3   64     0.989   113.280   E94
0   0    4    0     0.000   180.000   0:*-4-* MMFF94 DEF
1   0    4    0     0.000   180.000   1:*-4-* MMFF94 DEF
0   1    4    4     0.423   180.000   E94
0   1    4   42     0.463   180.000   E94
0   2    4    2     0.442   180.000   E94
1   2    4    4     0.432   180.000   E94
0   2    4   30     0.444   180.000   E94
1   2    4   42     0.474   180.000   E94
1   3    4    4     0.427   180.000   E94
1   3    4   42     0.469   180.000   E94
0   4    4    5     0.281   180.000   E94
0   4    4    6     0.551   180.000   E94
0   4    4   10     0.486   180.000   E94
1   4    4   37     0.430   180.000   E94
0   7    4    9     0.648   180.000   E94
1   9    4   42     0.537   180.000   E94
0  15    4   42     0.487   180.000   E94
0  20    4   42     0.469   180.000   E94
0  22    4   42     0.472   180.000   E94
1  37    4   42     0.472   180.000   E94
0  42    4   43     0.541   180.000   E94
1  42    4   63     0.474   180.000   E94
1  42    4   64     0.473   180.000   E94
0   0    6    0     0.000   110.400   0:*-6-* MMFF94 DEF
3   0    6    0     0.000    57.900   3::*-6-* MMFF94 DEF
4   0    6    0     0.000    90.200   4:*-6-* MMFF94 DEF
0   1    6    1     1.197   106.926   C94
0   1    6    2     0.967   103.614   C94
0   1    6    3     0.923   108.055   C94
0   1    6    6     1.884   103.905   E94
0   1    6    8     1.629   105.422   E94
0   1    6    9     1.628   106.496   E94
0   1    6   10     1.656   105.317   E94
0   1    6   15     1.480   111.230   E94
0   1    6   17     1.493   111.951   E94
0   1    6   18     1.370   116.346   E94
0   1    6   19     1.093   114.943   E94
0   1    6   20     1.316   112.833   E94
0   1    6   21     0.793   106.503   C94
0   1    6   22     1.391   109.759   E94
0   1    6   25     1.095   115.581   X94
0   1    6   26     1.170   112.081   E94
0   1    6   37     1.075   102.846   C94
0   1    6   40     1.719   103.733   E94
0   1    6   41     1.454   109.046   E94
0   1    6   43     1.642   105.462   E94
0   1    6   45     1.642   105.875   X94
0   1    6   63     1.449   109.545   E94
0   1    6   64     1.512   106.848   E94
0   2    6    2     1.354   113.339   E94
0   2    6    3     0.671    98.438   C94
0   2    6   18     1.365   117.169   E94
0   2    6   25     1.025   120.078   E94
0   2    6   29     0.816   105.727   C94
0   2    6   37     1.418   110.694   E94
0   2    6   57     1.341   114.785   E94
0   3    6    3     1.455   110.067   E94
0   3    6    4     1.409   112.404   E94
0   3    6    8     1.648   105.872   E94
0   3    6   10     1.596   108.437   E94
0   3    6   18     1.274   121.468   E94
0   3    6   19     1.019   119.840   E94
0   3    6   20     1.379   111.381   E94
4   3    6   20     1.748    91.216   E94
0   3    6   22     1.328   113.491   E94
0   3    6   24     0.583   111.948   C94
0   3    6   25     1.006   121.410   E94
0   3    6   29     0.876   111.417   E94
0   3    6   37     0.614    95.300   C94
0   3    6   64     1.424   111.483   E94
0   4    6   18     1.423   115.233   E94
0   6    6   21     1.362    95.697   E94
0   8    6   21     0.832    99.409   C94
0   9    6   21     1.115   101.592   E94
0  10    6   21     0.923    99.688   C94
0  18    6   18     1.334   125.242   E94
0  18    6   33     0.812   115.364   X94
0  18    6   37     1.429   114.473   E94
0  18    6   39     1.558   114.152   E94
0  18    6   43     1.710   108.479   E94
0  19    6   19     0.642   141.096   E94
0  19    6   21     0.597   118.204   X94
0  19    6   37     0.941   124.421   E94
4  20    6   20     1.339    89.100   C94
0  20    6   21     0.944   104.587   E94
0  20    6   37     1.394   110.394   E94
0  21    6   40     1.124   101.417   E94
0  21    6   43     1.058   103.253   E94
0  21    6   54     1.175   100.000   #E94
0  21    6   55     1.139   101.000   #E94
3  22    6   22     0.242    58.680   E94
3  22    6   43     0.279    57.087   E94
0  24    6   25     0.607   118.533   X94
0  25    6   25     0.777   129.375   E94
0  25    6   37     1.099   115.923   E94
0  26    6   37     1.090   116.692   E94
0  29    6   30     0.986   108.000   #E94
0  29    6   37     0.726   105.409   C94
0  29    6   64     0.923   108.922   E94
0  37    6   37     1.462   108.967   E94
0  37    6   58     1.607   108.274   E94
0   0    8    0     0.000   110.400   0:*-8-* MMFF94 DEF
3   0    8    0     0.000    58.500   3::*-8-* MMFF94 DEF
4   0    8    0     0.000    95.000   4:*-8-* MMFF94 DEF
0   1    8    1     1.090   107.018   C94
0   1    8    6     1.297   102.829   C94
0   1    8    8     1.347   105.708   E94
0   1    8    9     1.182   114.240   E94
0   1    8   10     1.307   108.079   E94
0   1    8   15     1.085   118.283   E94
0   1    8   17     1.096   117.478   E94
0   1    8   19     0.779   122.759   E94
0   1    8   20     1.221   105.873   E94
0   1    8   22     1.147   109.200   E94
0   1    8   23     0.763   109.062   C94
0   1    8   25     0.865   117.482   E94
0   1    8   26     0.926   112.630   E94
0   1    8   40     1.363   105.609   E94
0   1    8   45     1.266   110.149   E94
0   1    8   46     1.265   111.092   E94
0   6    8    6     1.776   107.296   E94
0   6    8   17     1.664   105.334   E94
0   6    8   22     1.456   107.100   E94
0   6    8   23     0.861   100.510   C94
3   8    8    8     0.230    60.000   E94
0   8    8   23     0.792   108.917   E94
0   8    8   25     1.068   110.595   E94
0   8    8   26     1.047   110.816   E94
0   9    8   23     0.832   108.864   E94
4  10    8   20     1.805    84.690   E94
0  10    8   23     0.846   106.788   E94
0  12    8   22     1.227   107.439   E94
0  15    8   19     0.845   125.674   E94
4  17    8   17     1.198   110.056   E94
0  17    8   23     0.647   116.842   E94
0  19    8   23     0.542   112.000   #E94
4  20    8   20     1.103    90.370   C94
0  20    8   23     0.684   113.359   C94
3  22    8   22     0.209    57.087   E94
0  22    8   23     0.697   110.033   E94
0  22    8   25     0.896   115.361   E94
0  23    8   23     0.595   105.998   C94
0  23    8   25     0.510   117.000   #E94
0  23    8   26     0.553   110.959   E94
0  23    8   34     0.808   109.000   #E94
0  23    8   39     0.757   111.820   E94
0  23    8   40     0.819   108.120   E94
0  23    8   43     0.857   106.222   E94
0  23    8   55     0.868   106.000   #E94
0  23    8   56     0.876   105.092   E94
0   0    9    0     0.000   111.500   0:*-9-* MMFF94 DEF
1   0    9    0     0.000   109.100   1:*-9-* MMFF94 DEF
0   1    9    3     0.878   106.409   C94
0   1    9    9     1.306   110.005   E94
0   1    9   53     1.216   113.995   X94
0   1    9   67     1.391   106.413   E94
1   2    9    3     1.242   109.856   E94
1   2    9    9     1.306   112.528   E94
1   3    9    3     1.204   111.488   E94
1   3    9    4     1.194   113.272   E94
0   3    9    6     1.579   106.872   E94
0   3    9    8     1.386   108.822   E94
1   3    9    9     1.390   108.355   E94
0   3    9   10     1.365   109.548   E94
0   3    9   12     1.373   103.303   E94
0   3    9   15     1.265   110.780   E94
0   3    9   18     1.205   114.743   E94
0   3    9   20     1.198   109.751   E94
0   3    9   25     0.873   119.927   E94
0   3    9   27     0.818   108.779   C94
0   3    9   34     1.355   108.199   E94
0   3    9   35     1.511   109.907   E94
1   3    9   37     1.185   111.663   E94
1   3    9   39     1.396   108.538   E94
0   3    9   40     1.365   109.440   E94
0   3    9   41     1.169   112.551   E94
0   3    9   45     1.369   109.796   E94
1   3    9   53     1.351   110.578   E94
1   3    9   54     1.643    98.943   E94
0   3    9   55     1.431   106.195   E94
0   3    9   56     1.375   109.289   E94
1   3    9   57     1.125   115.780   E94
1   3    9   63     1.247   109.989   E94
1   3    9   64     1.302   106.461   E94
1   3    9   78     1.323   106.641   E94
1   3    9   81     1.567   101.581   E94
0   4    9   19     0.456   161.741   E94
1   4    9   67     1.402   108.868   E94
0   6    9   67     1.794   105.043   E94
0   9    9   10     1.518   109.154   E94
1   9    9   37     1.397   108.014   E94
0   9    9   40     1.594   106.413   E94
0   9    9   62     1.390   114.417   E94
1   9    9   63     1.320   112.325   E94
1   9    9   64     1.352   109.711   E94
1  37    9   53     1.343   110.162   E94
1  37    9   67     1.296   111.871   E94
0  40    9   67     1.538   108.056   E94
1  53    9   64     1.318   111.149   E94
0   0   10    0     0.000   117.500   0:*-10-* MMFF94 DEF
3   0   10    0     0.000    58.900   3::*-10-* MMFF94 DEF
4   0   10    0     0.000    92.900   4:*-10-* MMFF94 DEF
0   1   10    1     1.117   117.909   C94
0   1   10    2     1.004   118.916   E94
0   1   10    3     0.821   119.600   C94
0   1   10    6     1.179   108.865   C94
0   1   10    8     1.137   116.189   E94
0   1   10    9     1.132   117.005   E94
0   1   10   10     1.247   111.009   E94
0   1   10   17     1.014   122.388   E94
0   1   10   20     0.960   119.679   E94
0   1   10   25     0.745   125.390   E94
0   1   10   28     0.552   120.066   C94
0   1   10   37     1.038   116.332   E94
0   1   10   39     1.060   120.838   E94
0   1   10   40     1.194   113.314   E94
0   1   10   41     1.031   118.033   E94
0   1   10   45     1.268   109.599   E94
0   1   10   63     0.949   122.185   E94
0   1   10   64     0.960   121.315   E94
0   2   10    2     1.146   112.878   E94
0   2   10    3     1.000   120.703   E94
0   2   10    6     1.405   111.609   E94
0   2   10   20     1.132   111.544   E94
0   2   10   28     0.638   118.553   E94
0   2   10   37     0.977   121.506   E94
0   3   10    3     0.709   120.274   C94
0   3   10    4     0.864   130.236   E94
0   3   10    6     0.960   110.133   C94
0   3   10    8     1.168   116.075   E94
4   3   10    8     1.527    93.608   E94
0   3   10    9     1.174   116.443   E94
0   3   10   10     1.184   115.377   E94
0   3   10   13     0.998   118.867   E94
0   3   10   14     0.871   124.162   E94
0   3   10   15     1.076   118.969   E94
0   3   10   17     1.132   116.612   E94
0   3   10   20     0.936   122.540   E94
4   3   10   20     1.371    93.349   E94
0   3   10   22     0.975   120.929   E94
0   3   10   25     0.794   122.157   E94
0   3   10   26     0.848   117.912   E94
0   3   10   28     0.575   120.277   C94
0   3   10   34     1.251   112.201   E94
0   3   10   35     1.395   112.633   E94
0   3   10   37     1.023   118.596   E94
0   3   10   40     1.216   113.680   E94
0   3   10   41     1.098   115.913   E94
0   3   10   45     1.212   113.447   E94
0   3   10   63     1.091   115.381   E94
0   3   10   64     1.048   117.574   E94
0   4   10   20     0.816   131.702   E94
0   6   10   28     0.829   113.214   E94
0   6   10   37     1.393   111.476   E94
0   8   10   28     0.703   117.160   E94
0   8   10   37     1.167   115.599   E94
0   9   10   26     0.847   123.206   E94
0   9   10   28     0.751   114.501   E94
0   9   10   37     1.222   113.553   E94
0   9   10   39     1.310   115.309   E94
0  10   10   28     0.735   114.715   E94
0  10   10   41     1.237   113.743   E94
0  15   10   28     0.614   119.033   E94
4  20   10   20     1.381    91.694   E94
0  20   10   28     0.555   123.394   E94
0  20   10   37     1.006   117.703   E94
3  22   10   22     0.202    58.894   E94
0  22   10   28     0.605   119.583   E94
0  25   10   28     0.447   122.785   E94
0  28   10   28     0.435   115.630   C94
0  28   10   34     0.757   113.000   #E94
0  28   10   35     0.836   114.000   #E94
0  28   10   37     0.628   118.227   E94
0  28   10   40     0.754   113.000   #E94
0  28   10   41     0.560   128.067   E94
0  28   10   63     0.640   118.099   E94
0  28   10   64     0.643   117.575   E94
0  37   10   40     1.232   112.412   E94
0   0   15    0     0.000    97.900   0:*-15-* MMFF94 DEF
4   0   15    0     0.000    80.200   4:*-15-* MMFF94 DEF
0   1   15    1     1.654    97.335   C94
0   1   15    2     1.321    97.853   E94
0   1   15    3     1.325    97.326   E94
0   1   15    4     1.344    97.370   E94
0   1   15    9     1.725    89.814   E94
0   1   15   15     1.377   100.316   C94
0   1   15   18     1.309   101.641   E94
0   1   15   19     1.007   102.069   E94
0   1   15   20     1.366    94.913   E94
0   1   15   22     1.268    99.768   E94
0   1   15   25     0.967   104.732   E94
0   1   15   30     1.379    95.613   E94
0   1   15   37     1.439    97.111   C94
0   1   15   40     1.555    94.643   E94
0   1   15   57     1.301    98.686   E94
0   1   15   63     1.304    98.330   E94
0   1   15   64     1.306    98.066   E94
0   1   15   71     0.931    96.494   C94
0   2   15    2     1.434    95.108   E94
0   2   15    3     1.318    98.813   E94
0   2   15    4     1.426    95.780   E94
0   2   15   15     1.457    97.789   E94
0   2   15   37     1.362    96.942   E94
0   2   15   43     1.709    90.872   E94
0   3   15    3     1.402    95.424   E94
0   3   15    6     1.804    94.075   E94
0   3   15   15     1.403    99.399   E94
4   3   15   20     1.666    79.842   E94
0   3   15   37     1.308    98.541   E94
0   3   15   63     1.390    96.051   E94
0   3   15   71     0.830    97.000   #E94
0   6   15   37     1.679    97.231   E94
0   8   15    8     1.444   105.143   E94
0   8   15   37     1.446    98.976   E94
0   9   15    9     1.626    98.524   E94
0   9   15   64     1.504    97.105   E94
0  10   15   15     1.415   103.715   E94
0  12   15   37     1.428    97.534   E94
0  15   15   15     1.413   104.893   E94
0  15   15   18     1.563    99.173   E94
0  15   15   37     1.361   100.790   E94
0  15   15   64     1.332   102.040   E94
0  15   15   71     0.787    99.239   C94
4  20   15   30     1.978    73.428   E94
0  20   15   37     1.361    95.589   E94
0  25   15   25     0.947    99.505   E94
4  25   15   25     1.030    87.982   E94
0  25   15   26     1.002    96.851   E94
0  25   15   37     1.172    95.428   E94
0  26   15   37     1.144    96.710   E94
4  30   15   30     1.732    79.546   E94
0  37   15   37     1.295    98.802   E94
0  37   15   63     1.379    96.197   E94
0  37   15   64     1.286    99.423   E94
0  37   15   71     0.813    96.222   C94
0  71   15   71     0.734    93.377   C94
0   0   17    0     0.000    99.400   0:*-17-* MMFF94 DEF
4   0   17    0     0.000    78.400   4:*-17-* MMFF94 DEF
0   1   17    1     1.415    93.266   X94
0   1   17    2     1.387    94.732   E94
0   1   17    3     1.430    92.852   E94
0   1   17    6     1.863    92.132   E94
0   1   17    7     1.408   107.104   X94
0   1   17    8     1.661    91.498   E94
0   1   17   10     1.547    94.839   E94
0   1   17   20     1.453    91.368   E94
0   1   17   22     1.423    92.591   E94
0   1   17   37     1.376    94.911   E94
0   2   17    2     1.313    97.901   E94
0   2   17    7     1.478   105.412   E94
0   2   17   43     1.207   108.882   E94
0   3   17    7     1.513   103.431   E94
0   6   17    6     2.164    97.766   E94
0   6   17    7     1.850   107.431   E94
0   7   17    8     1.438   113.808   E94
0   7   17   10     1.525   110.549   E94
0   7   17   20     1.442   104.737   E94
0   7   17   22     1.449   104.928   E94
0   7   17   37     1.500   104.313   E94
4   8   17   20     1.891    78.354   E94
0   8   17   37     1.687    91.169   E94
0  37   17   37     1.487    91.633   E94
0   0   18    0     0.000   104.600   0:*-18-* MMFF94 DEF
4   0   18    0     0.000    80.300   4:*-18-* MMFF94 DEF
0   1   18    1     1.230   101.166   X94
0   1   18    2     1.264   100.420   E94
0   1   18    3     1.242   100.883   E94
0   1   18    6     1.744    95.671   X94
0   1   18    9     1.438    99.465   E94
0   1   18   20     1.224   101.315   E94
0   1   18   22     1.207   101.417   E94
0   1   18   32     1.446   107.066   X94
0   1   18   37     1.234   101.070   E94
0   1   18   43     1.449    98.014   X94
0   1   18   48     1.277   106.586   X94
0   1   18   62     1.374   102.402   X94
0   2   18    2     1.254   101.492   E94
0   2   18    6     1.664    98.668   E94
0   2   18    9     1.539    96.849   E94
0   2   18   32     1.422   108.979   E94
0   2   18   37     1.263   100.489   E94
0   2   18   48     1.083   116.668   E94
0   3   18    9     1.418   100.361   E94
0   3   18   32     1.557   103.453   E94
0   3   18   43     1.350   101.747   E94
0   6   18    6     1.922   103.052   X94
0   6   18    9     1.916    97.446   E94
0   6   18   32     1.837   108.063   X94
0   6   18   37     1.528   102.229   E94
0   6   18   43     1.644   103.815   E94
0   9   18   12     1.464   101.180   E94
0   9   18   32     1.583   109.945   E94
0   9   18   37     1.358   102.378   E94
0   9   18   43     1.323   109.227   E94
0  12   18   32     1.584   103.959   E94
0  12   18   37     1.376    98.976   E94
0  15   18   32     1.497   107.170   E94
0  15   18   37     1.324   101.399   E94
0  20   18   32     1.383   109.292   E94
0  20   18   37     1.108   106.508   E94
4  20   18   43     1.831    80.297   E94
0  22   18   32     1.465   105.247   E94
0  32   18   32     1.569   120.924   X94
0  32   18   37     1.497   105.280   X94
0  32   18   39     1.804   101.600   X94
0  32   18   43     1.569   108.548   X94
0  32   18   48     1.229   126.841   X94
0  32   18   55     1.509   112.548   E94
0  32   18   58     1.592   106.139   E94
0  32   18   62     1.326   121.426   X94
0  32   18   63     1.571   103.212   E94
0  32   18   64     1.634   101.771   E94
0  32   18   80     1.400   110.401   E94
0  37   18   37     1.157   104.380   E94
0  37   18   39     1.404    99.854   X94
0  37   18   43     1.416    99.200   X94
0  37   18   48     1.330   104.466   E94
0  37   18   55     1.397   100.926   E94
0  37   18   62     1.178   110.665   E94
0  37   18   63     1.202   102.735   E94
0  43   18   43     1.545    99.905   X94
0  43   18   64     1.285   104.868   E94
0   0   19    0     0.000   108.700   0:*-19-* MMFF94 DEF
4   0   19    0     0.000    89.900   4:*-19-* MMFF94 DEF
0   1   19    1     0.616   113.339   E94
0   1   19    5     0.390   110.795   X94
0   1   19    6     0.777   113.958   X94
0   1   19    8     0.716   111.521   E94
0   1   19    9     0.779   106.380   E94
0   1   19   12     0.729   108.947   X94
0   1   19   20     0.656   108.828   E94
0   1   19   40     0.754   108.858   E94
0   1   19   63     0.699   106.924   E94
0   1   19   75     0.530   111.633   E94
0   2   19   12     0.819   102.981   E94
0   5   19    5     0.258   108.699   X94
0   5   19    6     0.520   109.677   X94
0   5   19    8     0.461   109.070   E94
0   5   19   12     0.446   106.756   X94
0   6   19    6     1.051   111.280   E94
0   6   19   12     0.968   106.022   E94
0   6   19   37     0.870   108.096   E94
0   8   19    8     0.862   108.099   E94
0   8   19   12     0.786   110.683   E94
0  12   19   12     0.879   104.597   E94
0  15   19   15     0.816   108.681   E94
4  20   19   20     0.802    89.931   E94
0  37   19   37     0.726   105.045   E94
0   0   20    0     0.000   113.200   0:*-20-* MMFF94 DEF
4   0   20    0     0.000    88.800   4:*-20-* MMFF94 DEF
0   1   20    1     0.943   113.131   E94
0   1   20    3     0.906   114.940   E94
0   1   20    5     0.417   114.057   C94
0   1   20    6     1.231   110.677   E94
0   1   20    8     1.080   111.090   E94
0   1   20   10     1.100   110.057   E94
0   1   20   11     1.173   110.993   E94
0   1   20   12     0.976   114.773   E94
0   1   20   15     1.035   111.226   E94
0   1   20   18     0.978   115.383   E94
0   1   20   20     0.502   113.313   C94
0   1   20   22     0.915   115.201   E94
0   1   20   25     0.744   116.096   E94
0   1   20   26     0.721   117.611   E94
0   1   20   30     0.908   115.220   E94
0   1   20   34     1.090   110.505   E94
0   1   20   37     0.947   112.650   E94
0   1   20   41     0.973   111.787   E94
0   1   20   43     1.087   110.187   E94
0   1   20   45     1.132   108.074   E94
0   2   20    3     0.982   111.060   E94
0   2   20    5     0.596   113.035   E94
0   2   20    6     1.139   115.851   E94
0   2   20   12     0.951   116.750   E94
0   2   20   20     0.931   114.138   E94
0   3   20    3     0.982   109.919   E94
0   3   20    5     0.624   112.989   C94
0   3   20    6     1.157   113.611   E94
4   3   20    8     1.473    87.271   E94
0   3   20   10     1.016   113.988   E94
0   3   20   11     1.184   109.849   E94
0   3   20   12     0.969   114.891   E94
0   3   20   13     1.008   110.951   E94
0   3   20   20     0.849   118.273   E94
4   3   20   20     1.524    88.961   C94
0   3   20   34     1.137   107.667   E94
4   3   20   37     1.382    85.619   E94
0   3   20   43     0.960   116.707   E94
0   4   20    5     0.584   115.078   E94
0   4   20   20     0.920   115.312   E94
0   5   20    5     0.439   109.107   C94
0   5   20    6     0.818   111.352   C94
0   5   20    8     0.728   114.011   C94
0   5   20    9     0.657   112.826   E94
0   5   20   10     0.663   112.010   E94
0   5   20   12     0.339   114.117   C94
0   5   20   15     0.562   114.339   E94
0   5   20   17     0.561   113.000   #E94
0   5   20   18     0.605   111.570   E94
0   5   20   20     0.564   113.940   C94
0   5   20   26     0.472   109.722   E94
0   5   20   30     0.688   116.038   C94
0   5   20   34     0.661   112.000   #E94
0   5   20   37     0.552   115.670   E94
0   5   20   40     0.682   111.331   E94
0   5   20   43     0.655   111.686   E94
0   6   20    6     1.443   114.408   E94
0   6   20   10     1.225   116.666   E94
0   6   20   13     1.162   114.868   E94
0   6   20   20     1.109   116.117   E94
4   6   20   20     1.433    93.413   C94
0   6   20   22     1.106   117.205   E94
0   6   20   30     1.144   114.705   E94
4   6   20   30     1.658    87.873   E94
0   8   20   20     1.185   105.606   E94
4   8   20   20     1.486    91.244   C94
0   8   20   26     0.874   111.782   E94
0   9   20   20     1.103   109.640   E94
0  10   20   15     1.170   109.525   E94
0  10   20   17     1.127   110.564   E94
0  10   20   18     1.404   100.845   E94
0  10   20   20     1.032   113.170   E94
4  10   20   20     1.468    87.497   E94
4  10   20   30     1.507    86.657   E94
0  10   20   37     0.963   117.360   E94
0  11   20   11     1.504   108.020   E94
0  11   20   17     1.221   109.460   E94
0  11   20   20     1.051   116.673   E94
0  11   20   30     0.997   120.309   E94
0  12   20   12     1.020   117.603   E94
0  12   20   19     0.973   105.821   E94
0  12   20   20     0.866   118.108   C94
0  12   20   30     0.887   120.399   E94
0  13   20   13     1.077   113.361   E94
0  13   20   20     0.938   115.037   E94
0  14   20   20     0.837   112.888   E94
0  15   20   15     1.094   114.048   E94
0  15   20   20     1.058   109.793   E94
4  15   20   20     1.324    90.483   E94
0  15   20   30     0.960   115.468   E94
4  15   20   30     1.447    86.726   E94
4  17   20   17     1.309    94.977   E94
0  17   20   20     0.930   116.108   E94
0  18   20   20     1.007   113.480   E94
4  18   20   20     1.355    90.185   E94
0  18   20   41     1.241   102.656   E94
0  19   20   19     0.567   122.298   E94
4  19   20   19     0.921    88.477   E94
0  20   20   20     1.008   108.644   E94
4  20   20   20     1.149    90.294   C94
0  20   20   22     0.840   119.817   E94
4  20   20   22     1.364    86.669   E94
4  20   20   25     1.181    84.818   E94
0  20   20   30     0.994   109.745   E94
4  20   20   30     1.399    85.303   C94
0  20   20   34     1.069   111.143   E94
4  20   20   34     1.382    90.128   E94
0  20   20   37     0.833   119.709   E94
4  20   20   37     1.346    86.810   E94
0  20   20   40     1.097   110.254   E94
0  20   20   41     0.922   114.408   E94
0  20   20   43     0.964   116.540   E94
4  20   20   43     1.290    92.879   E94
0  20   20   45     1.083   110.090   E94
0  22   20   22     0.866   118.829   E94
4  22   20   22     1.649    79.399   E94
4  26   20   26     0.789    96.811   E94
0  26   20   34     0.843   113.805   E94
0  34   20   41     1.070   111.943   E94
0  37   20   43     0.954   117.365   E94
0   0   22    0     0.000   116.100   0:*-22-* MMFF94 DEF
3   0   22    0     0.000    59.400   3::*-22-* MMFF94 DEF
4   0   22    0     0.000    91.600   4:*-22-* MMFF94 DEF
0   1   22    1     0.903   116.483   E94
0   1   22    2     0.884   118.360   E94
0   1   22    3     0.836   121.424   E94
0   1   22    4     0.900   117.720   E94
0   1   22    5     0.604   111.788   E94
0   1   22    6     1.179   113.545   E94
0   1   22    8     0.973   117.469   E94
0   1   22   17     1.070   109.087   E94
0   1   22   18     1.097   108.265   E94
0   1   22   22     0.871   118.246   E94
0   1   22   37     0.882   118.041   E94
0   1   22   43     1.014   114.899   E94
3   2   22    2     0.263    48.820   E94
0   2   22    3     0.956   114.147   E94
0   2   22    4     0.784   126.957   E94
0   2   22    5     0.573   115.869   E94
0   2   22    6     1.012   123.319   E94
0   2   22   22     0.880   118.260   E94
3   2   22   22     0.166    60.845   E94
0   2   22   45     1.009   116.146   E94
0   3   22    3     0.819   122.977   E94
0   3   22    4     0.876   119.718   E94
0   3   22    5     0.559   116.738   E94
0   3   22    6     1.184   113.646   E94
0   3   22    8     1.072   112.261   E94
0   3   22   10     0.987   117.750   E94
0   3   22   12     0.930   118.047   E94
4   3   22   20     1.267    90.869   E94
0   3   22   22     0.861   119.252   E94
4   3   22   22     1.196    93.287   E94
4   3   22   30     1.301    89.217   E94
0   3   22   37     0.852   120.464   E94
0   3   22   40     1.033   114.288   E94
0   3   22   43     1.124   109.441   E94
0   3   22   45     1.117   110.033   E94
0   4   22    5     0.560   118.000   #E94
0   4   22    6     1.200   113.650   E94
0   4   22    8     0.966   119.034   E94
0   4   22   15     0.931   120.455   E94
0   4   22   22     0.877   118.890   E94
0   4   22   45     1.089   112.227   E94
0   5   22    5     0.242   114.938   C94
0   5   22    6     0.683   117.836   E94
0   5   22    8     0.621   115.758   E94
0   5   22   10     0.658   113.806   E94
0   5   22   11     0.776   108.296   X94
0   5   22   12     0.620   109.865   X94
0   5   22   20     0.623   110.000   #E94
0   5   22   22     0.583   117.875   C94
0   5   22   37     0.532   119.438   E94
0   5   22   40     0.653   112.855   E94
0   5   22   41     0.519   122.000   #E94
0   5   22   43     0.658   112.128   E94
0   5   22   45     0.665   112.000   #E94
0   6   22   12     1.136   118.409   E94
0   6   22   17     1.328   108.583   E94
0   6   22   18     1.381   107.009   E94
0   6   22   22     1.124   115.942   E94
3   6   22   22     0.205    60.711   E94
0   6   22   37     1.093   118.170   E94
3   6   22   43     0.179    68.138   E94
0   6   22   45     1.422   108.368   E94
0   8   22   22     0.925   120.144   E94
3   8   22   22     0.176    61.507   E94
0  10   22   22     0.916   121.411   E94
3  10   22   22     0.184    60.603   E94
0  11   22   11     1.610   102.859   E94
0  11   22   22     1.062   116.086   X94
0  12   22   12     1.067   114.988   E94
0  12   22   22     0.925   117.971   X94
0  13   22   13     1.085   113.473   E94
0  13   22   22     0.908   117.606   E94
0  15   22   22     0.918   120.404   E94
0  17   22   22     1.029   111.106   E94
0  18   22   22     1.078   109.054   E94
0  20   22   22     0.812   122.430   E94
4  20   22   22     1.198    92.930   E94
0  22   22   22     0.787   124.070   E94
3  22   22   22     0.171    60.000   C94
4  22   22   22     1.225    91.653   E94
0  22   22   30     0.777   124.514   E94
0  22   22   34     0.983   116.415   E94
0  22   22   37     0.847   120.135   E94
3  22   22   40     0.178    61.163   E94
0  22   22   41     0.886   118.045   E94
3  22   22   43     0.176    61.536   E94
0  22   22   45     1.022   114.380   E94
0  34   22   41     1.008   116.095   E94
0  37   22   37     0.846   120.774   E94
3  37   22   37     0.237    51.029   E94
0  37   22   43     0.936   119.789   E94
0   0   25    0     0.000   106.500   0:*-25-* MMFF94 DEF
4   0   25    0     0.000    89.100   4:*-25-* MMFF94 DEF
0   1   25    1     1.072    99.158   X94
0   1   25    3     1.268    91.423   E94
0   1   25    6     1.394    98.288   X94
0   1   25    8     1.150   101.775   E94
0   1   25   12     1.180    98.890   E94
0   1   25   15     1.074   103.431   E94
0   1   25   25     0.852   100.707   E94
0   1   25   32     1.186   107.891   X94
0   1   25   37     0.972   104.924   E94
0   1   25   40     1.358    93.644   E94
0   1   25   43     1.190    98.760   X94
0   1   25   71     0.537   109.363   E94
0   1   25   72     0.976   111.306   X94
0   2   25    6     1.302   102.892   E94
0   2   25    8     1.022   109.148   E94
0   2   25   10     1.629    85.839   E94
0   2   25   32     0.983   120.127   E94
0   2   25   72     0.863   119.249   E94
0   3   25    6     1.277   103.026   E94
0   3   25   32     1.164   109.307   E94
0   6   25    6     1.769    99.311   X94
0   6   25    8     1.419   104.161   E94
0   6   25    9     1.403   105.407   E94
0   6   25   10     1.448   102.194   E94
0   6   25   11     1.680    99.260   E94
0   6   25   12     1.489    98.818   E94
0   6   25   32     1.501   109.688   X94
0   6   25   37     1.312   102.280   E94
0   6   25   39     1.617    97.314   E94
0   6   25   40     1.380   105.601   E94
0   6   25   71     0.844   100.242   E94
0   6   25   72     1.219   112.058   E94
0   8   25    8     1.224   105.341   E94
0   8   25   10     1.214   104.893   E94
0   8   25   11     1.411   101.655   E94
0   8   25   20     1.010   108.094   E94
0   8   25   32     1.217   114.325   E94
0   8   25   37     1.106   104.742   E94
0   8   25   40     1.265   103.617   E94
0   8   25   72     0.977   117.767   E94
0   9   25   32     1.232   114.493   E94
0  10   25   10     1.346    98.856   E94
0  10   25   32     1.273   110.640   E94
0  10   25   72     1.021   114.624   E94
0  11   25   32     1.528   106.045   E94
0  12   25   12     1.303    99.224   E94
0  12   25   32     1.305   106.320   E94
0  15   25   15     1.113   107.673   E94
4  15   25   15     1.264    93.138   E94
0  15   25   32     1.248   107.964   E94
0  15   25   72     0.933   119.729   E94
4  20   25   20     1.220    85.039   E94
0  20   25   72     0.965   111.595   E94
0  25   25   72     0.890   106.612   E94
0  32   25   32     1.248   122.857   X94
0  32   25   37     1.097   113.430   E94
0  32   25   39     1.605    99.255   E94
0  32   25   40     1.122   119.057   E94
0  32   25   43     1.257   110.308   X94
0  32   25   57     1.219   108.740   E94
0  32   25   63     1.211   108.168   E94
0  32   25   71     0.642   117.733   X94
0  32   25   72     1.050   121.823   E94
0  37   25   37     0.947   107.124   E94
0  37   25   40     0.965   112.107   E94
0  37   25   72     0.868   118.776   E94
0  40   25   40     1.496    95.270   E94
0  40   25   72     1.035   114.441   E94
0  57   25   57     1.059   102.995   E94
0  63   25   63     1.032   102.950   E94
0  71   25   71     0.419   100.483   X94
0   0   26    0     0.000    98.100   0:*-26-* MMFF94 DEF
4   0   26    0     0.000    83.600   4:*-26-* MMFF94 DEF
0   1   26    1     1.085    98.054   E94
0   1   26    8     1.263    96.331   E94
0   1   26   10     1.115   102.175   E94
0   1   26   12     1.147    98.926   X94
0   1   26   15     1.141   100.260   E94
0   1   26   20     1.075    98.171   E94
0   1   26   26     0.997    92.571   E94
0   1   26   37     1.081    98.754   E94
0   1   26   71     0.672    97.353   X94
0   6   26    6     1.833    97.935   E94
0   6   26   11     1.663   100.061   E94
0   6   26   12     1.442    99.021   E94
0   8   26    8     1.189   105.662   E94
0   8   26   12     1.028   110.069   E94
0   8   26   34     1.509    93.096   E94
0  11   26   11     1.757    94.795   E94
0  12   26   15     1.271    99.730   E94
0  12   26   34     1.508    90.565   E94
0  12   26   40     1.165   103.783   E94
0  12   26   71     0.704    96.577   X94
0  15   26   26     1.047    96.592   E94
0  15   26   40     1.543    91.164   E94
4  20   26   20     1.252    83.624   E94
0  71   26   71     0.473    94.470   X94
0   0   30    0     0.000   134.200   0:*-30-* MMFF94 DEF
1   0   30    0     0.000   131.800   1:*-30-* MMFF94 DEF
4   0   30    0     0.000    97.700   4:*-30-* MMFF94 DEF
7   0   30    0     0.000    92.300   7:*-30-* MMFF94 DEF
1   2   30    3     0.778   128.756   E94
0   2   30   15     0.805   130.439   E94
0   2   30   20     0.727   132.187   E94
0   2   30   22     0.737   131.100   E94
1   2   30   30     0.751   132.225   E94
1   3   30    4     0.721   134.566   E94
1   3   30    5     0.410   135.975   E94
1   3   30    6     0.845   137.596   E94
1   3   30   20     0.714   130.677   E94
7   3   30   20     1.280    89.957   E94
1   3   30   30     0.857   122.418   E94
7   3   30   30     1.260    93.102   E94
0   4   30   20     0.690   136.444   E94
0   5   30   20     0.390   131.835   C94
0   5   30   30     0.364   132.652   C94
0   6   30   30     0.876   139.045   E94
0  15   30   15     0.876   130.718   E94
4  15   30   15     1.239   101.359   E94
0  15   30   30     0.782   132.228   E94
4  15   30   30     1.141   100.902   E94
4  20   30   30     1.117    95.513   C94
7  20   30   30     1.191    93.909   E94
0  20   30   40     0.769   134.526   E94
1  20   30   67     0.704   138.631   E94
4  22   30   22     1.179    93.007   E94
8  30   30   30     1.230    93.732   E94
0  30   30   40     0.706   145.470   E94
1  30   30   67     0.907   125.792   E94
0   0   34    0     0.000   109.400   0:*-34-* MMFF94 DEF
4   0   34    0     0.000    89.400   4:*-34-* MMFF94 DEF
0   1   34    1     0.862   112.251   C94
0   1   34    2     1.154   109.212   E94
0   1   34    8     1.330   106.399   E94
0   1   34    9     1.166   112.989   E94
0   1   34   10     1.388   104.291   E94
0   1   34   20     1.201   106.135   E94
0   1   34   26     0.913   112.004   E94
0   1   34   36     0.576   111.206   C94
0   1   34   37     1.141   109.045   E94
0   2   34   36     0.694   112.000   #E94
0   8   34   36     0.796   109.753   E94
0   9   34   36     0.793   108.649   E94
0  10   34   36     0.828   108.000   #E94
4  20   34   20     1.448    89.411   E94
0  20   34   36     0.665   112.526   E94
0  22   34   36     0.694   110.000   #E94
0  36   34   36     0.578   107.787   C94
0  36   34   37     0.717   108.668   E94
0  36   34   43     0.840   108.000   #E94
0   0   37    0     0.000   118.800   0:*-37-* MMFF94 DEF
1   0   37    0     0.000   115.900   1:*-37-* MMFF94 DEF
3   0   37    0     0.000    64.700   3::*-37-* MMFF94 DEF
4   0   37    0     0.000    91.800   4:*-37-* MMFF94 DEF
0   1   37   37     0.803   120.419   C94
0   1   37   38     0.992   118.432   E94
0   1   37   58     1.027   116.528   E94
0   1   37   63     0.837   123.024   E94
0   1   37   64     0.821   124.073   E94
0   1   37   69     1.038   115.506   E94
1   2   37   37     0.712   119.695   C94
1   2   37   38     1.029   117.220   E94
1   3   37   37     0.798   114.475   C94
7   3   37   37     1.320    90.784   E94
1   3   37   38     1.109   112.724   E94
1   3   37   58     1.134   111.566   E94
1   3   37   69     1.119   111.916   E94
1   4   37   37     0.906   119.614   E94
1   4   37   38     1.087   114.623   E94
0   5   37   37     0.563   120.571   C94
0   5   37   38     0.693   115.588   C94
0   5   37   58     0.699   113.316   E94
0   5   37   63     0.702   121.238   C94
0   5   37   64     0.523   121.446   C94
0   5   37   69     0.794   111.638   C94
0   5   37   78     0.563   119.432   E94
0   6   37   37     0.968   116.495   C94
0   6   37   38     1.324   115.886   E94
0   6   37   64     1.139   118.868   E94
1   9   37   37     0.974   121.003   E94
1   9   37   38     1.137   117.591   E94
0  10   37   37     1.025   117.918   E94
0  10   37   38     1.088   120.135   E94
0  10   37   58     1.077   120.925   E94
0  11   37   37     1.094   118.065   E94
0  11   37   38     1.223   117.328   E94
0  12   37   37     0.950   118.495   E94
0  12   37   38     1.126   113.859   E94
0  12   37   64     1.076   111.320   E94
0  13   37   37     0.917   118.117   E94
0  14   37   37     0.861   118.045   E94
0  15   37   37     0.755   121.037   C94
0  15   37   38     1.027   119.421   E94
0  15   37   64     0.976   117.125   E94
0  17   37   37     0.930   119.408   E94
0  17   37   38     1.179   110.828   E94
0  17   37   64     0.946   118.357   E94
0  18   37   37     1.029   113.991   X94
0  18   37   38     1.278   106.908   E94
0  18   37   64     0.975   117.029   E94
0  19   37   37     0.660   125.278   E94
0  20   37   37     0.744   129.614   E94
4  20   37   37     1.217    93.425   E94
0  22   37   37     0.805   125.777   E94
3  22   37   37     0.152    64.704   E94
0  22   37   38     0.904   124.494   E94
0  25   37   37     0.718   121.600   E94
0  26   37   37     0.691   122.967   E94
0  34   37   37     1.030   116.423   E94
0  34   37   64     1.074   113.905   E94
0  35   37   37     0.964   131.858   E94
0  35   37   38     1.187   124.980   E94
0  37   37   37     0.669   119.977   C94
1  37   37   37     0.864   122.227   E94
4  37   37   37     1.380    90.193   E94
0  37   37   38     0.596   126.139   C94
1  37   37   38     1.033   117.271   E94
0  37   37   39     1.038   117.619   E94
1  37   37   39     1.078   114.622   E94
0  37   37   40     1.045   121.633   C94
0  37   37   41     0.892   119.572   E94
0  37   37   43     1.013   117.860   X94
0  37   37   45     1.114   112.337   E94
0  37   37   46     0.999   120.038   E94
0  37   37   55     1.002   120.163   E94
0  37   37   56     1.020   117.801   E94
1  37   37   57     0.881   120.932   E94
0  37   37   58     1.014   120.052   E94
1  37   37   58     1.127   112.251   E94
0  37   37   61     1.072   115.515   E94
0  37   37   62     0.941   124.384   E94
0  37   37   63     0.478   111.243   C94
1  37   37   63     0.894   120.190   E94
0  37   37   64     0.423   112.567   C94
1  37   37   64     0.912   118.973   E94
1  37   37   67     1.064   114.980   E94
0  37   37   69     0.872   116.778   C94
1  37   37   69     1.042   116.438   E94
0  37   37   78     0.974   116.439   E94
0  37   37   81     1.034   115.664   E94
1  37   37   81     1.104   111.759   E94
0  38   37   38     0.725   128.938   C94
0  38   37   40     1.024   123.755   E94
0  38   37   43     1.165   115.355   E94
0  38   37   58     0.979   128.362   E94
1  38   37   58     1.257   111.356   E94
0  38   37   62     1.148   118.349   E94
0  38   37   63     1.095   115.386   E94
1  38   37   63     1.076   114.910   E94
0  38   37   64     1.070   116.605   E94
1  38   37   67     1.289   109.610   E94
0  40   37   58     1.103   119.417   E94
0  40   37   63     0.943   122.904   E94
0  40   37   64     0.931   123.541   E94
0  40   37   78     0.931   123.604   E94
0  41   37   58     0.967   120.535   E94
0  45   37   63     1.031   116.781   E94
0  45   37   64     1.156   110.199   E94
0  45   37   69     1.248   111.041   E94
0  58   37   62     1.016   125.987   E94
0  58   37   63     1.152   112.628   E94
0  58   37   64     1.291   106.250   E94
1  58   37   64     1.108   113.166   E94
0  58   37   78     1.188   110.842   E94
0   0   38    0     0.000   113.800   0:*-38-* MMFF94 DEF
0  37   38   37     1.085   115.406   C94
0  37   38   38     1.289   112.016   C94
0  37   38   63     1.230   110.181   E94
0  37   38   64     1.207   111.032   E94
0  37   38   69     1.238   114.692   E94
0  37   38   78     1.118   114.813   E94
0  38   38   38     1.343   118.516   E94
0   0   39    0     0.000   120.700   0:*-39-* MMFF94 DEF
1   0   39    0     0.000   125.400   1:*-39-* MMFF94 DEF
0   1   39   63     0.854   123.380   C94
0   1   39   65     1.111   118.049   E94
1   2   39   63     0.858   130.275   E94
1   2   39   65     0.900   133.220   E94
1   3   39   63     0.900   127.045   E94
1   3   39   65     1.126   118.909   E94
0   6   39   63     1.166   122.985   E94
0   6   39   65     1.396   117.707   E94
0   8   39   63     1.000   124.868   E94
0   8   39   65     1.057   127.145   E94
1   9   39   63     0.981   127.725   E94
1   9   39   65     1.170   122.487   E94
0  10   39   63     1.109   119.788   E94
0  10   39   65     1.118   124.961   E94
0  18   39   63     1.108   117.061   X94
0  23   39   63     0.551   127.770   C94
0  23   39   65     0.752   118.352   C94
0  23   39   78     0.581   124.000   #E94
0  25   39   63     0.667   134.561   E94
0  25   39   65     0.944   118.135   E94
0  37   39   63     0.900   127.009   E94
1  37   39   63     0.922   125.312   E94
1  37   39   65     1.080   121.090   E94
0  40   39   63     0.984   126.832   E94
0  45   39   63     1.056   121.641   E94
0  45   39   65     1.354   112.464   E94
0  63   39   63     1.152   109.599   C94
1  63   39   63     0.887   128.078   E94
0  63   39   64     1.004   120.577   E94
1  63   39   64     0.899   126.936   E94
0  63   39   65     1.284   112.087   C94
1  63   39   65     1.146   117.990   E94
0  63   39   78     1.300   105.800   E94
0  64   39   65     1.007   126.117   E94
0  65   39   65     1.462   116.898   C94
0   0   40    0     0.000   115.000   0:*-40-* MMFF94 DEF
3   0   40    0     0.000    57.800   3::*-40-* MMFF94 DEF
0   1   40    1     1.064   113.703   E94
0   1   40    2     0.998   118.873   E94
0   1   40    3     1.007   118.319   E94
0   1   40    6     1.421   109.742   E94
0   1   40    9     1.203   113.198   E94
0   1   40   10     1.232   111.320   E94
0   1   40   11     1.436   104.665   E94
0   1   40   12     1.202   109.320   E94
0   1   40   20     1.047   114.970   E94
0   1   40   25     0.912   114.483   E94
0   1   40   28     0.689   112.374   C94
0   1   40   30     1.024   118.604   E94
0   1   40   37     0.835   107.349   C94
0   1   40   39     1.254   110.622   E94
0   1   40   40     1.183   114.011   E94
0   1   40   45     1.223   112.226   E94
0   1   40   46     1.025   122.982   E94
0   1   40   63     1.084   114.473   E94
0   1   40   64     1.064   115.483   E94
0   2   40    2     0.997   120.651   E94
0   2   40    3     0.981   121.660   E94
0   2   40    6     1.316   115.626   E94
0   2   40    9     1.118   119.196   E94
0   2   40   10     1.142   117.260   E94
0   2   40   19     0.732   128.087   E94
0   2   40   28     0.767   111.053   C94
0   2   40   37     1.049   117.022   E94
0   2   40   39     1.192   115.106   E94
0   2   40   40     1.060   122.253   E94
0   2   40   63     1.008   120.447   E94
0   3   40    3     0.883   128.240   E94
0   3   40    8     1.259   111.557   E94
0   3   40    9     1.106   119.822   E94
0   3   40   10     1.269   111.261   E94
0   3   40   12     1.146   112.718   E94
0   3   40   15     1.105   117.871   E94
0   3   40   20     1.130   112.139   E94
0   3   40   22     1.072   114.420   E94
0   3   40   25     0.820   121.724   E94
0   3   40   28     0.700   114.808   C94
0   3   40   37     1.056   116.655   E94
0   3   40   40     1.147   117.511   E94
0   3   40   64     1.132   113.602   E94
0   6   40   28     0.889   110.000   #E94
0   8   40   28     0.764   111.915   E94
0   8   40   37     1.216   112.920   E94
0   8   40   63     1.351   108.085   E94
0   9   40   28     0.774   112.549   E94
0   9   40   37     1.236   112.751   E94
0  10   40   28     0.799   109.725   E94
0  10   40   37     1.316   108.686   E94
0  11   40   37     1.546   101.687   E94
0  15   40   15     1.154   121.497   E94
3  22   40   22     0.204    57.777   E94
0  22   40   37     1.066   114.220   E94
0  22   40   63     1.126   112.006   E94
0  25   40   28     0.485   120.000   #E94
0  25   40   37     0.868   117.977   E94
0  26   40   28     0.506   118.000   #E94
0  26   40   37     0.812   122.336   E94
0  28   40   28     0.560   109.160   C94
0  28   40   30     0.656   119.230   E94
0  28   40   37     0.662   110.288   C94
0  28   40   39     0.789   110.951   E94
0  28   40   40     0.782   111.731   E94
0  28   40   45     0.674   120.000   #E94
0  28   40   54     0.738   118.714   E94
0  28   40   63     0.670   116.188   E94
0  28   40   64     0.659   117.057   E94
0  28   40   78     0.618   119.829   E94
0  37   40   37     1.004   119.018   E94
0  37   40   45     1.376   106.579   E94
0  37   40   54     1.394   107.777   E94
0  37   40   63     1.060   116.867   E94
0  45   40   64     1.283   111.332   E94
0  45   40   78     1.410   105.678   E94
0  46   40   64     1.189   116.345   E94
0   0   41    0     0.000   118.300   0:*-41-* MMFF94 DEF
0   1   41   32     1.209   114.689   C94
0   1   41   72     1.024   114.936   X94
0   2   41   32     1.309   115.461   C94
0   3   41   32     1.210   114.810   E94
0   5   41   32     0.912   113.960   C94
0   6   41   72     1.319   113.899   E94
0   9   41   72     1.089   117.795   E94
0  10   41   72     1.039   121.240   E94
0  20   41   32     1.090   120.965   E94
0  22   41   32     1.079   122.748   E94
0  32   41   32     1.181   130.600   C94
0  32   41   37     1.136   118.871   E94
0  32   41   41     1.401   107.694   E94
0  37   41   72     1.035   114.919   E94
0  55   41   72     0.982   123.972   E94
0  62   41   72     1.052   120.425   E94
0  72   41   72     0.912   130.128   X94
0  72   41   80     1.094   112.175   E94
0   0   43    0     0.000   113.300   0:*-43-* MMFF94 DEF
0   1   43    1     1.109   110.353   E94
0   1   43    2     1.052   114.321   E94
0   1   43    3     0.938   121.050   E94
0   1   43    4     0.927   123.204   E94
0   1   43   18     1.116   115.011   X94
0   1   43   25     0.853   115.637   X94
0   1   43   28     0.646   113.739   X94
0   1   43   37     1.083   112.511   E94
0   1   43   45     1.140   115.034   E94
0   1   43   64     1.025   116.188   E94
0   2   43   18     1.227   110.268   E94
0   3   43   18     1.011   121.488   X94
0   3   43   20     1.053   113.913   E94
4   3   43   20     1.327    93.575   E94
0   3   43   28     0.626   117.464   X94
0   4   43   28     0.616   122.000   E94
0   4   43   45     1.253   112.373   E94
0   6   43   18     1.673   104.311   E94
3   6   43   22     0.279    54.827   E94
0   6   43   28     0.868   110.000   #E94
0   6   43   37     1.519   105.833   E94
0   6   43   43     1.603   108.652   E94
0   8   43   18     1.511   104.036   E94
0   8   43   28     0.794   110.320   E94
0  15   43   15     1.558   103.008   E94
0  15   43   18     1.409   108.458   E94
0  17   43   18     1.367   111.904   E94
0  18   43   18     1.144   120.463   E94
0  18   43   20     0.961   123.768   E94
4  18   43   20     1.451    92.867   E94
0  18   43   22     1.171   112.379   E94
0  18   43   28     0.628   116.881   X94
0  18   43   34     1.324   111.347   E94
0  18   43   37     1.185   112.132   X94
0  18   43   43     1.379   109.036   E94
0  18   43   64     1.108   116.279   E94
0  20   43   28     0.626   115.000   #E94
3  22   43   22     0.209    57.032   E94
0  25   43   28     0.468   118.274   X94
0  28   43   28     0.477   112.596   X94
0  28   43   34     0.810   110.000   #E94
0  28   43   37     0.669   113.350   X94
0  28   43   64     0.658   115.293   E94
0   0   44    0     0.000    91.600   0:*-44-* MMFF94 DEF
0  63   44   63     1.962    88.495   C94
0  63   44   65     2.261    94.137   C94
0  63   44   78     1.738    86.270   E94
0  63   44   80     1.748    86.194   E94
0  65   44   65     1.530   101.147   E94
0  65   44   80     1.629    93.534   E94
0  78   44   78     0.903   119.401   E94
0   0   45    0     0.000   116.700   0:*-45-* MMFF94 DEF
0   1   45   32     1.260   118.182   X94
0   2   45   32     1.294   118.082   X94
0   3   45   32     1.343   115.589   E94
0   6   45   32     1.787   111.682   X94
0   8   45   32     1.515   115.695   E94
0   9   45   32     1.339   123.850   E94
0  10   45   32     1.578   112.194   E94
0  20   45   32     1.245   118.893   E94
0  22   45   32     1.293   117.503   E94
0  32   45   32     1.467   128.036   X94
0  32   45   37     1.298   117.857   E94
0  32   45   39     1.715   107.633   E94
0  32   45   40     1.497   116.432   E94
0  32   45   43     1.545   113.711   E94
0  32   45   63     1.335   116.765   E94
0  32   45   64     1.330   116.908   E94
0  32   45   78     1.394   114.962   E94
0   0   46    0     0.000   111.000   0:*-46-* MMFF94 DEF
0   1   46    7     1.440   110.492   X94
0   2   46    7     1.489   112.709   E94
0   7   46    8     1.724   109.817   E94
0   7   46   37     1.519   110.569   E94
0   7   46   40     1.650   111.405   E94
0   0   48    0     0.000   118.400   0:*-48-* MMFF94 DEF
0   3   48   18     1.065   122.928   E94
0  18   48   28     0.736   113.969   X94
0   0   49    0     0.000   111.400   0:*-49-* MMFF94 DEF
0  50   49   50     0.522   111.433   C94
0   0   51    0     0.000   111.400   0:*-51-* MMFF94 DEF
0   3   51   52     0.913   111.360   X94
0   0   53    0     0.000   180.000   0:*-53-* MMFF94 DEF
0   3   53   47     0.574   180.000   E94
0   9   53   47     0.649   180.000   E94
0   0   54    0     0.000   119.500   0:*-54-* MMFF94 DEF
1   0   54    0     0.000   115.700   1:*-54-* MMFF94 DEF
0   1   54    1     0.923   121.439   E94
0   1   54    3     0.707   124.083   C94
0   1   54   36     0.294   122.881   C94
0   3   54    6     1.376   115.398   E94
1   3   54    9     1.128   114.457   E94
0   3   54   36     0.685   119.698   C94
1   3   54   40     1.105   116.439   E94
0   6   54   36     0.826   115.000   #E94
0   9   54   40     1.195   123.403   E94
0  36   54   36     0.300   113.943   C94
0   0   55    0     0.000   120.800   0:*-55-* MMFF94 DEF
0   1   55    1     0.951   119.946   E94
0   1   55   36     0.307   126.448   C94
0   1   55   37     1.032   117.035   E94
0   1   55   57     0.751   120.606   C94
0   1   55   80     0.972   121.082   E94
0   2   55    3     1.041   116.994   E94
0   2   55   36     0.621   120.000   #E94
0   2   55   57     1.047   118.847   E94
0   3   55    9     1.053   121.298   E94
0   3   55   36     0.567   124.000   #E94
0   3   55   57     0.953   123.573   E94
0   3   55   62     1.041   122.163   E94
0   6   55   36     0.833   114.000   #E94
0   6   55   57     1.408   112.958   E94
0   8   55   36     0.656   122.000   #E94
0   8   55   57     1.259   113.209   E94
0   9   55   57     1.001   126.373   E94
0  18   55   36     0.578   125.000   #E94
0  18   55   57     1.054   122.320   E94
0  36   55   36     0.355   117.729   C94
0  36   55   37     0.623   120.405   E94
0  36   55   41     0.485   134.689   E94
0  36   55   57     0.663   119.499   C94
0  36   55   64     0.632   118.000   #E94
0  36   55   80     0.684   115.880   E94
0  37   55   57     1.110   115.816   E94
0  41   55   57     0.911   126.801   E94
0  57   55   62     1.054   123.366   E94
0  57   55   64     1.026   119.465   E94
0   0   56    0     0.000   119.100   0:*-56-* MMFF94 DEF
0   1   56   36     0.472   123.585   C94
0   1   56   57     0.774   119.267   C94
0   2   56    9     1.181   116.311   E94
0   2   56   36     0.582   124.037   E94
0   2   56   57     1.029   118.607   E94
0   3   56   36     0.585   121.521   E94
0   3   56   57     0.885   126.567   E94
0   8   56   36     0.785   111.009   E94
0   8   56   57     1.288   110.357   E94
0   9   56   36     0.683   120.258   E94
0   9   56   57     1.186   115.661   E94
0  36   56   36     0.450   117.534   C94
0  36   56   37     0.602   120.000   #E94
0  36   56   57     0.646   120.649   C94
0  36   56   63     0.579   123.766   E94
0  36   56   80     0.625   120.000   #E94
0  37   56   57     1.058   115.912   E94
0  57   56   63     1.019   118.915   E94
0   0   57    0     0.000   120.900   0:*-57-* MMFF94 DEF
1   0   57    0     0.000   118.100   1:*-57-* MMFF94 DEF
0   1   57   55     1.017   117.865   E94
1   3   57   55     1.085   115.034   E94
0   5   57   55     0.674   116.747   C94
0   6   57   55     1.279   119.257   E94
1   9   57   55     0.980   128.143   E94
0  12   57   55     1.058   118.327   E94
0  15   57   55     0.983   123.646   E94
0  25   57   55     0.790   122.889   E94
1  37   57   55     0.967   121.379   E94
0  55   57   55     0.855   126.476   C94
1  55   57   63     1.016   118.800   E94
1  55   57   64     1.039   117.166   E94
0  56   57   56     1.342   120.010   C94
0   0   58    0     0.000   119.000   0:*-58-* MMFF94 DEF
1   0   58    0     0.000   119.900   1:*-58-* MMFF94 DEF
0   1   58   37     1.003   119.236   E94
0   1   58   64     0.961   121.070   E94
1   3   58   37     0.983   121.506   E94
0   6   58   37     1.371   114.370   E94
0  18   58   37     1.005   120.665   E94
0  36   58   37     0.650   118.713   E94
0  36   58   63     0.650   118.000   #E94
0  36   58   64     0.620   120.051   E94
0  37   58   37     0.996   122.710   E94
1  37   58   37     1.036   118.260   E94
0  37   58   63     1.087   116.989   E94
0  37   58   64     1.061   117.942   E94
0   0   59    0     0.000   105.600   0:*-59-* MMFF94 DEF
0  63   59   63     1.273   106.313   C94
0  63   59   65     1.750   107.755   C94
0  63   59   78     1.713   101.179   E94
0  63   59   80     1.599   105.341   E94
0  65   59   65     1.754   107.683   E94
0  65   59   78     1.644   107.142   E94
0  65   59   82     1.864   103.624   E94
0   0   61    0     0.000   180.000   0:*-61-* MMFF94 DEF
0   1   61   60     0.475   180.000   E94
0  37   61   42     0.536   180.000   E94
0  37   61   60     0.484   180.000   E94
0   0   62    0     0.000   108.300   0:*-62-* MMFF94 DEF
0   1   62   18     1.316   109.273   X94
0   2   62   23     0.817   105.542   X94
0   3   62    3     1.318   106.821   E94
0   3   62   18     1.311   111.144   E94
0   3   62   55     1.528   102.414   E94
0   9   62   18     1.515   107.660   E94
0  18   62   37     1.229   114.618   E94
0  18   62   41     1.366   108.722   E94
0  18   62   63     1.427   106.284   E94
0  18   62   64     1.317   110.366   E94
0   0   63    0     0.000   123.300   0:*-63-* MMFF94 DEF
1   0   63    0     0.000   124.300   1:*-63-* MMFF94 DEF
0   1   63   39     0.935   121.832   E94
0   1   63   44     0.902   122.101   E94
0   1   63   59     1.175   115.253   E94
0   1   63   64     0.737   131.378   E94
0   1   63   66     0.865   127.610   E94
1   2   63   39     1.027   117.864   E94
1   2   63   59     0.987   127.524   E94
1   2   63   64     0.730   133.818   E94
1   2   63   66     0.828   132.383   E94
1   3   63   39     0.900   125.395   E94
1   3   63   44     0.935   120.481   E94
1   3   63   59     1.158   117.219   E94
1   3   63   64     0.766   130.065   E94
1   3   63   66     0.950   123.049   E94
1   4   63   44     0.848   126.602   E94
1   4   63   59     1.211   114.804   E94
1   4   63   64     0.795   127.817   E94
0   5   63   39     0.617   121.127   C94
0   5   63   44     0.393   126.141   C94
0   5   63   59     0.784   114.076   C94
0   5   63   64     0.577   131.721   C94
0   5   63   66     0.643   125.134   C94
0   5   63   78     0.482   130.000   #E94
0   5   63   81     0.588   124.000   #E94
0   6   63   39     1.234   120.509   E94
0   6   63   59     1.564   113.514   E94
0   6   63   64     0.951   131.301   E94
1   9   63   39     1.068   121.741   E94
1   9   63   44     0.963   124.598   E94
1   9   63   64     0.804   134.237   E94
1   9   63   66     0.912   133.020   E94
0  10   63   39     1.084   120.356   E94
0  10   63   44     1.112   115.732   E94
0  10   63   59     1.307   116.218   E94
0  10   63   64     0.867   128.750   E94
0  10   63   66     0.981   127.617   E94
0  12   63   39     1.111   114.439   E94
0  12   63   44     1.035   119.321   E94
0  12   63   64     0.838   126.226   E94
0  12   63   66     0.980   122.280   E94
0  15   63   39     1.064   117.958   E94
0  15   63   44     0.952   125.654   E94
0  15   63   64     0.813   129.284   E94
0  15   63   66     0.962   124.490   E94
0  18   63   44     1.110   116.077   E94
0  18   63   64     0.740   135.028   E94
0  19   63   39     0.647   132.369   E94
0  19   63   64     0.517   141.986   E94
0  25   63   39     0.597   139.439   E94
0  25   63   66     0.776   122.699   E94
0  35   63   59     1.351   124.475   E94
0  35   63   64     0.808   145.098   E94
0  37   63   39     1.011   132.046   C94
1  37   63   39     0.934   123.481   E94
0  37   63   44     0.764   133.930   E94
1  37   63   44     0.915   121.637   E94
0  37   63   59     1.041   124.836   E94
1  37   63   59     1.214   114.211   E94
0  37   63   64     0.679   122.881   C94
1  37   63   64     0.742   131.784   E94
0  37   63   66     0.742   140.668   E94
1  37   63   66     0.871   128.130   E94
0  38   63   39     1.022   124.814   E94
0  38   63   64     0.910   126.513   E94
0  39   63   39     0.910   131.461   E94
1  39   63   39     1.105   119.174   E94
0  39   63   40     1.112   119.261   E94
1  39   63   44     1.144   114.126   E94
0  39   63   45     1.166   115.115   E94
1  39   63   57     0.931   123.222   E94
0  39   63   58     1.042   123.231   E94
1  39   63   63     0.949   122.353   E94
0  39   63   64     0.813   107.255   C94
1  39   63   64     0.943   123.441   E94
0  39   63   66     1.012   110.865   C94
1  39   63   66     1.095   120.834   E94
0  40   63   44     0.943   125.881   E94
0  40   63   59     1.298   117.078   E94
0  40   63   64     0.845   130.865   E94
0  40   63   66     0.940   130.926   E94
0  44   63   45     1.125   114.633   E94
0  44   63   56     1.030   120.178   E94
0  44   63   62     0.991   122.899   E94
1  44   63   63     0.894   123.341   E94
0  44   63   64     0.853   108.480   C94
0  44   63   66     0.854   114.516   C94
0  44   63   72     0.915   129.129   E94
0  44   63   78     1.217   106.254   E94
0  44   63   81     1.278   108.400   E94
0  45   63   59     1.467   108.824   E94
0  45   63   64     0.940   122.725   E94
0  45   63   66     1.164   116.157   E94
0  56   63   66     0.875   134.888   E94
1  57   63   66     0.945   123.246   E94
0  58   63   64     0.965   122.522   E94
0  59   63   64     1.035   110.108   C94
0  59   63   66     1.181   115.592   C94
0  62   63   66     0.976   128.662   E94
1  63   63   64     0.776   129.499   E94
1  63   63   66     0.929   124.689   E94
0  66   63   72     0.911   129.610   E94
0   0   64    0     0.000   121.400   0:*-64-* MMFF94 DEF
1   0   64    0     0.000   121.700   1:*-64-* MMFF94 DEF
0   1   64   63     0.776   128.041   E94
0   1   64   64     0.766   128.061   E94
0   1   64   65     0.963   120.640   E94
0   1   64   66     0.952   120.685   E94
0   1   64   81     1.050   114.735   E94
0   1   64   82     1.013   117.414   E94
1   2   64   63     0.861   122.947   E94
1   2   64   64     0.816   125.433   E94
1   2   64   65     0.907   125.781   E94
1   2   64   66     1.010   118.540   E94
1   2   64   82     0.923   124.473   E94
1   3   64   63     0.828   124.890   E94
1   3   64   64     0.774   128.286   E94
1   3   64   65     0.973   120.954   E94
1   3   64   66     0.949   121.821   E94
1   3   64   81     0.995   118.754   E94
1   4   64   63     0.845   123.889   E94
1   4   64   64     0.804   126.131   E94
1   4   64   65     1.036   117.401   E94
1   4   64   66     1.010   118.254   E94
0   5   64   63     0.501   126.170   C94
0   5   64   64     0.546   127.405   C94
0   5   64   65     0.664   118.412   C94
0   5   64   66     0.699   120.478   C94
0   5   64   78     0.482   127.331   E94
0   5   64   81     0.605   120.000   #E94
0   5   64   82     0.597   122.000   #E94
0   6   64   63     1.112   120.985   E94
0   6   64   64     1.043   123.922   E94
0   6   64   65     1.348   115.506   E94
0   6   64   66     1.156   123.890   E94
1   9   64   64     0.959   120.924   E94
1   9   64   65     1.098   119.529   E94
1   9   64   66     1.013   123.743   E94
0  10   64   63     0.937   123.695   E94
0  10   64   64     0.893   125.735   E94
0  10   64   65     1.016   124.788   E94
0  10   64   66     1.065   121.125   E94
0  12   64   63     0.845   126.259   E94
0  12   64   64     0.869   124.058   E94
0  12   64   65     1.020   120.198   E94
0  12   64   66     0.971   122.900   E94
0  13   64   63     0.845   123.004   E94
0  13   64   64     0.883   120.111   E94
0  15   64   63     0.870   124.581   E94
0  15   64   64     0.882   123.309   E94
0  15   64   65     1.008   121.049   E94
0  15   64   66     0.990   121.826   E94
0  18   64   65     1.065   118.404   E94
0  18   64   66     1.067   118.002   E94
0  37   64   63     0.906   117.966   C94
0  37   64   64     0.854   136.087   C94
1  37   64   64     0.772   128.673   E94
0  37   64   65     0.799   134.844   E94
1  37   64   65     0.942   122.866   E94
0  37   64   66     0.845   130.337   E94
0  37   64   78     0.706   135.432   E94
0  37   64   81     0.917   124.856   E94
0  37   64   82     0.946   123.684   E94
1  37   64   82     1.000   119.086   E94
0  38   64   63     0.988   121.242   E94
0  38   64   64     0.858   129.014   E94
0  38   64   65     0.989   127.335   E94
0  38   64   66     1.022   124.454   E94
0  39   64   64     1.086   114.312   E94
0  39   64   65     1.060   122.481   E94
1  39   64   65     1.204   114.188   E94
1  39   64   66     1.170   115.157   E94
0  40   64   63     0.948   123.538   E94
0  40   64   64     0.928   123.853   E94
0  40   64   65     0.958   129.125   E94
0  40   64   81     1.035   123.154   E94
0  40   64   82     1.183   115.934   E94
0  43   64   63     0.885   126.749   E94
0  43   64   64     0.898   124.876   E94
0  43   64   65     1.024   123.706   E94
0  43   64   66     1.017   123.409   E94
0  45   64   63     0.981   120.063   E94
0  45   64   64     0.921   123.014   E94
0  45   64   65     1.276   110.521   E94
0  45   64   66     1.199   113.371   E94
0  55   64   64     0.907   124.405   E94
0  55   64   65     1.002   125.220   E94
1  57   64   65     1.020   117.950   E94
1  57   64   66     0.959   121.017   E94
0  58   64   63     1.075   115.646   E94
0  58   64   64     0.815   131.812   E94
0  58   64   66     0.978   126.562   E94
0  62   64   64     0.885   126.560   E94
0  62   64   65     1.073   121.703   E94
0  63   64   64     0.866   108.239   C94
1  63   64   64     0.827   124.584   E94
0  63   64   66     1.038   111.621   C94
0  63   64   78     1.172   105.176   E94
0  63   64   81     1.164   110.895   E94
0  63   64   82     1.395   101.902   E94
0  64   64   64     0.967   115.037   E94
0  64   64   65     0.916   113.570   C94
1  64   64   66     1.003   118.067   E94
0  64   64   78     1.194   103.479   E94
0  64   64   82     1.210   108.553   E94
0  65   64   66     1.055   115.369   C94
0  65   64   81     1.168   116.240   E94
0  66   64   66     0.932   129.624   E94
0   0   65    0     0.000   104.500   0:*-65-* MMFF94 DEF
0  39   65   64     1.738   101.550   C94
0  39   65   66     1.589   106.360   C94
0  39   65   82     1.740   101.208   E94
0  44   65   64     1.430   103.829   C94
0  44   65   66     1.366   110.552   E94
0  44   65   78     1.419   104.213   E94
0  59   65   64     1.788   103.452   C94
0  59   65   81     1.774   104.872   E94
0   0   66    0     0.000   106.900   0:*-66-* MMFF94 DEF
0  63   66   64     1.206   103.779   C94
0  63   66   66     1.406   106.735   C94
0  63   66   78     1.339   105.365   E94
0  63   66   81     1.408   106.806   E94
0  64   66   65     1.709   107.658   C94
0  65   66   66     1.932   111.306   C94
0   0   67    0     0.000   119.900   0:*-67-* MMFF94 DEF
1   0   67    0     0.000   116.600   1:*-67-* MMFF94 DEF
0   1   67    3     0.982   120.683   E94
0   1   67    9     1.178   115.581   E94
0   1   67   32     1.233   119.589   E94
0   1   67   67     1.257   111.574   E94
1   2   67   32     1.118   126.320   E94
1   2   67   67     1.231   113.438   E94
0   3   67   23     0.567   128.000   #E94
0   3   67   32     1.290   120.945   E94
1   3   67   37     1.122   113.631   E94
1   9   67   30     1.142   118.899   E94
0   9   67   32     1.325   125.531   E94
1   9   67   37     1.186   115.979   E94
0  23   67   32     0.805   120.000   #E94
1  30   67   32     1.370   114.854   E94
1  32   67   37     1.240   120.019   E94
0  32   67   67     1.504   117.327   E94
1  37   67   67     1.310   110.017   E94
0   0   68    0     0.000   108.800   0:*-68-* MMFF94 DEF
0   1   68    1     1.159   108.238   C94
0   1   68   23     0.772   107.200   C94
0   1   68   32     0.958   110.757   C94
0  23   68   23     0.650   104.892   C94
0  23   68   32     0.659   112.977   C94
0   0   69    0     0.000   120.300   0:*-69-* MMFF94 DEF
0  32   69   37     1.123   121.777   C94
0  32   69   38     1.486   117.217   E94
0  37   69   37     1.223   116.447   C94
0  38   69   38     1.122   125.930   E94
0  31   70   31     0.658   103.978   C94
0   0   73    0     0.000   106.600   0:*-73-* MMFF94 DEF
0   1   73   32     1.590   100.180   X94
0   1   73   72     1.481    96.166   X94
0  32   73   32     1.665   115.012   X94
0  32   73   72     1.326   115.134   X94
0   0   74    0     0.000   113.000   0:*-74-* MMFF94 DEF
0   3   74    7     1.357   113.010   X94
0   0   75    0     0.000    94.900   0:*-75-* MMFF94 DEF
0   1   75    3     1.138    96.779   E94
0   3   75   19     1.044    91.970   E94
0   3   75   71     0.729    95.899   X94
0   0   76    0     0.000   107.600   0:*-76-* MMFF94 DEF
0  76   76   76     1.434   109.889   X94
0  76   76   78     1.493   103.519   X94
0  78   76   78     1.235   109.421   E94
0   0   77    0     0.000   109.500   0:*-77-* MMFF94 DEF
0  32   77   32     1.652   109.472   X94
0   0   78    0     0.000   121.900   0:*-78-* MMFF94 DEF
1   0   78    0     0.000   126.100   1:*-78-* MMFF94 DEF
0   1   78   78     0.744   130.960   E94
0   1   78   81     0.938   121.477   E94
1   3   78   78     0.827   125.468   E94
1   3   78   81     0.922   123.748   E94
0   5   78   76     0.584   123.407   X94
0   5   78   78     0.546   128.000   C94
0   5   78   79     0.617   122.000   #E94
0   5   78   81     0.542   109.881   C94
1   9   78   78     0.863   129.501   E94
1   9   78   81     0.991   125.857   E94
0  37   78   76     0.770   137.282   E94
0  37   78   78     0.803   128.249   E94
0  37   78   81     0.864   128.714   E94
0  38   78   78     0.844   130.617   E94
0  38   78   81     1.023   123.532   E94
0  39   78   64     0.734   138.714   E94
0  39   78   78     1.202   109.426   E94
0  40   78   76     0.930   130.150   E94
0  40   78   78     0.778   135.746   E94
0  40   78   81     1.058   121.251   E94
0  44   78   63     0.677   141.902   E94
0  44   78   64     0.663   142.589   E94
0  44   78   66     0.816   134.701   E94
0  44   78   78     1.089   111.702   E94
0  45   78   76     1.199   114.467   E94
0  45   78   78     0.915   125.050   E94
0  45   78   81     1.216   112.926   E94
0  59   78   64     0.963   128.471   E94
0  59   78   65     1.097   128.375   E94
0  59   78   78     1.443   105.916   E94
0  63   78   64     0.942   117.779   E94
0  64   78   65     0.835   131.530   E94
0  64   78   78     1.038   111.834   E94
0  66   78   78     1.030   118.376   E94
0  76   78   76     1.245   113.179   X94
0  76   78   78     1.159   111.900   E94
0  78   78   78     1.336    99.459   E94
0  78   78   81     1.302   105.130   C94
0  79   78   81     1.217   114.792   E94
0   0   79    0     0.000   103.400   0:*-79-* MMFF94 DEF
0  78   79   81     1.569   102.043   E94
0  79   79   81     1.625   104.857   E94
0   0   80    0     0.000   121.900   0:*-80-* MMFF94 DEF
1   0   80    0     0.000   128.200   1:*-80-* MMFF94 DEF
0   1   80   81     0.864   127.147   E94
1   3   80   81     0.886   128.181   E94
0   5   80   81     0.651   125.682   C94
0  18   80   81     1.032   120.869   E94
0  41   80   81     0.909   125.057   E94
0  44   80   55     0.918   127.755   E94
0  44   80   81     1.184   112.411   E94
0  55   80   59     1.254   120.263   E94
0  55   80   81     0.991   127.612   E94
0  56   80   81     1.003   126.038   E94
0  59   80   81     1.439   112.030   E94
0  81   80   81     1.205   108.609   C94
0   0   81    0     0.000   119.500   0:*-81-* MMFF94 DEF
0   1   81   63     0.996   120.129   E94
0   1   81   64     0.978   119.970   E94
0   1   81   78     0.879   126.535   E94
0   1   81   79     1.144   116.113   E94
0   1   81   80     0.895   126.324   E94
1   2   81   78     0.927   125.080   E94
1   2   81   80     0.895   128.399   E94
1   9   81   78     1.015   124.270   E94
1   9   81   80     1.106   120.028   E94
0  36   81   64     0.522   130.295   E94
0  36   81   66     0.583   128.738   E94
0  36   81   78     0.578   124.658   C94
0  36   81   80     0.575   124.787   C94
0  37   81   64     0.929   122.408   E94
1  37   81   64     0.983   119.722   E94
0  37   81   65     1.184   114.158   E94
1  37   81   65     1.281   110.477   E94
1  37   81   78     0.884   126.208   E94
1  37   81   80     0.940   123.333   E94
0  63   81   64     1.115   114.945   E94
0  64   81   65     1.075   122.099   E94
0  64   81   80     1.143   113.176   E94
0  66   81   80     1.067   122.250   E94
0  78   81   80     0.957   110.556   C94
0  79   81   80     1.379   107.936   E94
0  32   82   59     1.666   114.660   E94
0  32   82   64     1.075   131.706   E94
0  32   82   65     1.238   129.293   E94
0  59   82   64     1.563   105.660   E94
0  64   82   65     1.281   112.955   E94
$