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author marcel
date Thu, 12 Jan 2012 11:00:43 -0500
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      ##############################
      ##                          ##
      ##  Force Field Definition  ##
      ##                          ##
      ##############################


forcefield              MM2-1991

bondunit                71.94
bond-cubic              -2.0
bond-quartic            1.25       !! keeps Ebond positive; not in "real" MM2
angleunit               0.02191418
angle-sextic            0.00000007
strbndunit              2.51118
mm2-strbnd
opbendunit              0.02191418
torsionunit             0.5
vdwtype                 BUCKINGHAM
radiusrule              ARITHMETIC
radiustype              R-MIN
radiussize              RADIUS
epsilonrule             GEOMETRIC
a-expterm               290000.0
b-expterm               12.5
c-expterm               2.25
vdw-14-scale            1.0
chg-14-scale            1.0
dielectric              1.5


      #############################
      ##                         ##
      ##  Literature References  ##
      ##                         ##
      #############################


N. L. Allinger, "Conformational Analysis. 130. MM2. A Hydrocarbon
Force Field Utilizing V1 and V2 Torsional Terms", J. Am. Chem. Soc.,
99, 8127-8134 (1977)

J. T. Sprague, J. C. Tai, Y. Yuh and N. L. Allinger, "The MMP2
Calculational Method", J. Comput. Chem., 8, 581-603 (1987)

N. L. Allinger, R. A. Kok and M. R. Imam, "Hydrogen Bonding in MM2",
J. Comput. Chem., 9, 591-595 (1988)

All parameters in this file are from the "MM2 (1991) Parameter Set",
as provided by Prof. N. L. Allinger, University of Georgia


      #############################
      ##                         ##
      ##  Atom Type Definitions  ##
      ##                         ##
      #############################


atom      1    C     "CSP3 ALKANE"             6     12.000     4
atom      2    C     "CSP2 ALKENE"             6     12.000     3
atom      3    C     "CSP2 CARBONYL"           6     12.000     3
atom      4    C     "CSP ALKYNE, C=C=O"       6     12.000     2
atom      5    H     "NONPOLAR HYDROGEN"       1      1.008     1
atom      6    O     "-O- ALCOHOL, ETHER"      8     15.995     4
atom      7    O     "=O CARBONYL"             8     15.995     1
atom      8    N     "NSP3"                    7     14.003     4
atom      9    N     "NSP2 AMIDE"              7     14.003     3
atom     10    N     "NSP"                     7     14.003     1
atom     11    F     "FLUORIDE"                9     18.998     1
atom     12    Cl    "CHLORIDE"               17     34.969     1
atom     13    Br    "BROMIDE"                35     78.918     1
atom     14    I     "IODIDE"                 53    126.900     1
atom     15    S     "-S- SULFIDE"            16     31.972     2
atom     16    S+    ">S+ SULFONIUM"          16     31.972     2
atom     17    S     ">S=O SULFOXIDE"         16     31.972     3
atom     18    S     ">SO2 SULFONE"           16     31.972     4
atom     19    Si    "SILANE"                 14     27.977     4
atom     20    Lp    "LONE PAIR"               0      0.000     1
atom     21    H     "-OH ALCOHOL"             1      1.008     1
atom     22    C     "CYCLOPROPANE"            6     12.000     4
atom     23    H     "NH AMINE"                1      1.008     1
atom     24    H     "COOH CARBOXYL"           1      1.008     1
atom     25    P     ">P- PHOSPHINE"          15     30.994     3
atom     26    B     ">B- TRIGONAL"            5     11.009     3
atom     27    B     ">B< TETRAHEDRAL"         5     11.009     4
atom     28    H     "-H AMIDE, ENOL"          1      1.008     1
atom     29    C*    "CARBON RADICAL"          6     12.000     3
atom     30    C+    "CARBONIUM ION"           6     12.000     3
atom     31    Ge    "GERMANIUM"              32     73.922     2
atom     32    Sn    "TIN"                    50    117.902     2
atom     33    Pb    "LEAD (IV)"              82    207.977     4
atom     34    Se    "SELENIUM"               34     79.917     2
atom     35    Te    "TELLURIUM"              52    129.907     2
atom     36    D     "DEUTERIUM"               1      2.014     1
atom     37    N     "-N= AZO,PYRIDINE"        7     14.003     3
atom     38    C     "CSP2 CYCLOPROPENE"       6     12.000     3
atom     39    N+    "NSP3 AMMONIUM"           7     14.003     4
atom     40    N     "NSP2 PYRROLE"            7     14.003     3
atom     41    O     "OSP2 FURAN"              8     15.995     3
atom     42    S     "SSP2 THIOPHENE"         16     31.972     2
atom     43    N     "-N=N-O AZOXY"            7     14.003     2
atom     44    H     "-SH THIOL"               1      1.008     1
atom     45    N     "AZIDE (CENTER-N)"        7     14.003     2
atom     46    N     "NO2 NITRO"               7     14.003     3
atom     47    O     "CARBOXYLATE"             8     15.995     1
atom     48    H     "AMMONIUM"                1      1.008     1
atom     49    O     "EPOXY"                   8     15.995     4
atom     50    C     "BENZENE"                 6     12.000     3
atom     51    He    "HELIUM"                  2      4.003     0
atom     52    Ne    "NEON"                   10     20.179     0
atom     53    Ar    "ARGON"                  18     39.948     0
atom     54    Kr    "KRYPTON"                36     83.800     0
atom     55    Xe    "XENON"                  54    131.300     0
atom     59    Mg    "MAGNESIUM"              12     24.301     0
atom     60    P     "PHOSPHORUS (V)"         15     30.994     4
atom     61    Fe    "IRON (II)"              26     55.847     0
atom     62    Fe    "IRON (III)"             26     55.847     0
atom     63    Ni    "NICKEL (II)"            27     58.710     0
atom     64    Ni    "NICKEL (III)"           27     58.710     0
atom     65    Co    "COBALT (II)"            28     58.933     0
atom     66    Co    "COBALT (III)"           28     58.933     0
atom     69    O     "AMINE OXIDE"             8     15.995     1
atom     70    O     "KETONIUM OXYGEN"         8     15.995     1
atom     71    C     "KETONIUM CARBON"         6     12.000     2
atom     72    N     "=N- IMINE, OXIME"        7     14.003     3
atom     73    N+    "=N(+)- PYRIDINIUM"       7     14.003     3
atom     74    N+    "=N(+)- IMMINIUM"         7     14.003     3
atom     75    N     "N-OH OXIME"              7     14.003     3


      ################################
      ##                            ##
      ##  Van der Waals Parameters  ##
      ##                            ##
      ################################


vdw           1               1.900      0.044
vdw           2               1.940      0.044
vdw           3               1.940      0.044
vdw           4               1.940      0.044
vdw           5               1.500      0.047      0.915
vdw           6               1.740      0.050
vdw           7               1.740      0.066
vdw           8               1.820      0.055
vdw           9               1.820      0.055
vdw          10               1.820      0.055
vdw          11               1.650      0.078
vdw          12               2.030      0.240
vdw          13               2.180      0.320
vdw          14               2.320      0.424
vdw          15               2.110      0.202
vdw          16               2.110      0.202
vdw          17               2.110      0.202
vdw          18               2.110      0.202
vdw          19               2.250      0.140
vdw          20               1.200      0.016
vdw          21               0.950      0.036
vdw          22               1.900      0.044
vdw          23               1.050      0.034
vdw          24               0.900      0.015
vdw          25               2.180      0.168
vdw          26               1.980      0.034
vdw          27               1.980      0.034
vdw          28               0.900      0.015
vdw          29               1.940      0.044
vdw          30               1.940      0.044
vdw          31               2.400      0.200
vdw          32               2.550      0.270
vdw          33               2.700      0.340
vdw          34               2.250      0.276
vdw          35               2.400      0.368
vdw          36               1.497      0.047      0.915
vdw          37               1.820      0.055
vdw          38               1.940      0.044
vdw          39               1.820      0.055
vdw          40               1.820      0.055
vdw          41               1.740      0.050
vdw          42               2.110      0.202
vdw          43               1.820      0.055
vdw          44               0.000      0.000
vdw          45               1.820      0.055
vdw          46               1.820      0.055
vdw          47               1.740      0.050
vdw          48               0.900      0.015
vdw          49               1.740      0.050
vdw          50               1.940      0.044
vdw          51               1.530      0.026
vdw          52               1.600      0.090
vdw          53               1.990      0.268
vdw          54               2.150      0.358
vdw          55               2.280      0.495
vdw          59               2.200      0.015
vdw          60               2.200      0.168
vdw          61               2.200      0.020
vdw          62               2.200      0.020
vdw          63               2.200      0.020
vdw          64               2.200      0.020
vdw          65               2.200      0.020
vdw          66               2.200      0.020
vdw          69               1.820      0.059
vdw          70               1.740      0.066
vdw          71               1.940      0.056
vdw          72               1.820      0.055
vdw          73               1.820      0.055
vdw          74               1.820      0.055
vdw          75               1.820      0.055


      #####################################
      ##                                 ##
      ##  Van der Waals Pair Parameters  ##
      ##                                 ##
      #####################################


vdwpr         1    5          3.340      0.046
vdwpr         1   36          3.337      0.046
vdwpr         2   21          2.340      1.100
vdwpr         2   23          2.340      0.400
vdwpr         2   24          2.340      1.000
vdwpr         2   28          2.340      1.000
vdwpr         6   21          1.830      1.300
vdwpr         6   23          1.830      0.600
vdwpr         6   24          2.140      2.200
vdwpr         6   28          2.140      2.400
vdwpr         7   21          2.140      2.950
vdwpr         7   23          2.140      0.400
vdwpr         7   24          2.030      3.000
vdwpr         7   28          2.030      3.000
vdwpr         8   21          2.220      2.000
vdwpr         8   23          2.220      0.400
vdwpr         8   24          2.220      1.400
vdwpr         8   28          2.220      1.000
vdwpr        11   21          2.050      0.800
vdwpr        11   23          2.050      0.200
vdwpr        11   24          2.050      0.600
vdwpr        11   28          2.050      0.400
vdwpr        12   21          2.430      3.600
vdwpr        12   23          2.430      0.200
vdwpr        12   24          2.430      0.600
vdwpr        12   28          2.430      0.400
vdwpr        13   21          2.580      0.800
vdwpr        13   23          2.580      0.200
vdwpr        13   24          2.580      0.600
vdwpr        13   28          2.580      0.400
vdwpr        14   21          2.720      0.600
vdwpr        14   23          2.720      0.400
vdwpr        14   24          2.720      0.400
vdwpr        14   28          2.720      0.200
vdwpr        15   21          2.510      0.400
vdwpr        15   23          2.510      0.200
vdwpr        15   24          2.510      0.400
vdwpr        15   28          2.510      0.200


      ##################################
      ##                              ##
      ##  Bond Stretching Parameters  ##
      ##                              ##
      ##################################


bond          1    1          4.400      1.523
bond          1    2          4.400      1.497
bond          1    3          4.400      1.509
bond          1    4          5.200      1.470
bond          1    5          4.600      1.113
bond          1    6          5.360      1.402
bond          1    8          5.100      1.438
bond          1    9          3.520      1.437
bond          1   11          5.100      1.392
bond          1   12          3.230      1.795
bond          1   13          2.300      1.949
bond          1   14          2.200      2.149
bond          1   15          3.213      1.815
bond          1   16          3.213      1.816
bond          1   17          3.213      1.805
bond          1   18          3.213      1.784
bond          1   19          2.970      1.880
bond          1   22          4.400      1.502
bond          1   25          2.910      1.856
bond          1   29          4.400      1.497
bond          1   31          2.700      1.950
bond          1   32          2.124      2.147
bond          1   33          1.900      2.242
bond          1   34          2.680      1.948
bond          1   35          2.700      2.140
bond          1   36          4.600      1.108
bond          1   37          3.950      1.470
bond          1   38          4.400      1.497
bond          1   39          5.100      1.499
bond          1   41          5.360      1.414
bond          1   43          3.950      1.488
bond          1   46          7.000      1.498
bond          1   50          4.400      1.497
bond          1   70          3.000      1.480
bond          1   71          4.400      1.509
bond          1   72          3.950      1.470
bond          2    2          9.600      1.337
bond          2    3          9.600      1.351
bond          2    4          9.900      1.313
bond          2    5          4.600      1.101
bond          2    6          6.000      1.355
bond          2    8          6.320      1.377
bond          2    9          5.000      1.410
bond          2   11          5.400      1.320
bond          2   12          3.400      1.719
bond          2   13          2.500      1.881
bond          2   14          2.480      2.075
bond          2   19          3.500      1.865
bond          2   22          4.400      1.467
bond          2   25          2.910      1.828
bond          2   37         11.090      1.260
bond          2   38          9.600      1.336
bond          2   40         11.090      1.266
bond          2   41         10.000      1.225
bond          2   42          6.471      1.459
bond          2   46          5.050      1.463
bond          2   72         11.090      1.260
bond          3    3          9.600      1.415
bond          3    5          4.600      1.113
bond          3    6          5.050      1.338
bond          3    7         10.800      1.208
bond          3    9          6.400      1.385
bond          3   22          4.400      1.447
bond          3   36          4.600      1.130
bond          3   72         11.090      1.280
bond          4    4         15.600      1.212
bond          4    5          5.900      1.090
bond          4   10         17.730      1.158
bond          5   15          3.800      1.345
bond          5   16          3.800      1.346
bond          5   17          3.800      1.346
bond          5   18          3.800      1.346
bond          5   19          2.720      1.489
bond          5   22          4.600      1.086
bond          5   25          3.330      1.437
bond          5   29          4.600      1.101
bond          5   31          2.570      1.530
bond          5   32          2.229      1.696
bond          5   33          1.894      1.775
bond          5   34          3.170      1.472
bond          5   35          2.850      1.670
bond          5   38          4.600      1.072
bond          5   71          4.600      1.113
bond          6    6          3.950      1.428
bond          6   19          5.500      1.626
bond          6   20          4.600      0.600
bond          6   21          4.600      0.942
bond          6   24          7.200      0.972
bond          6   25          2.900      1.615
bond          6   28          7.200      0.972
bond          7   17          5.000      1.480
bond          7   18          8.412      1.450
bond          7   43         10.800      1.268
bond          7   46          7.500      1.220
bond          8    8          5.600      1.381
bond          8   20          6.100      0.600
bond          8   23          6.100      1.020
bond          9   18          6.100      1.660
bond          9   28          5.900      1.022
bond         15   15          3.100      2.024
bond         19   19          1.850      2.332
bond         19   22          3.500      1.860
bond         20   37          6.100      0.600
bond         20   41          4.600      0.600
bond         20   72          6.100      0.600
bond         22   22          4.400      1.474
bond         22   38          4.400      1.488
bond         22   46          4.350      1.477
bond         23   37          5.240      1.022
bond         23   40          6.100      1.050
bond         23   72          5.240      1.022
bond         28   41          7.200      0.972
bond         33   33          0.980      2.891
bond         37   37         10.720      1.248
bond         37   40         11.000      1.230
bond         37   43         10.720      1.257
bond         38   38          9.600      1.303
bond         39   48          6.100      1.045
bond         50   50          8.065      1.392
bond         70   71         10.000      1.236


      ###########################################
      ##                                       ##
      ##  Bond Stretching Parameters (4-Ring)  ##
      ##                                       ##
      ###########################################


bond4        22   22          4.400      1.528


      ###########################################
      ##                                       ##
      ##  Bond Stretching Parameters (3-Ring)  ##
      ##                                       ##
      ###########################################


bond3        22   22          4.400      1.503
bond3        22   49          5.360      1.435


      ################################
      ##                            ##
      ##  Angle Bending Parameters  ##
      ##                            ##
      ################################


angle         1    1    1     0.450    109.470    109.510    109.500
angle         1    1    2     0.450    109.470    109.510    109.500
angle         1    1    3     0.450    107.800    109.900    110.000
angle         1    1    4     0.450    109.470    112.400    109.000
angle         1    1    5     0.360    109.390    109.410    110.000
angle         1    1    6     0.700    107.500    107.700    107.400
angle         1    1    8     0.570    109.470    108.800    109.500
angle         1    1    9     0.500    109.280    110.780    109.280
angle         1    1   11     0.650    109.500    107.500    109.500
angle         1    1   12     0.560    108.200      0.000      0.000
angle         1    1   13     0.630    108.200      0.000      0.000
angle         1    1   14     0.490    108.900      0.000      0.000
angle         1    1   15     0.550    109.000    107.000    106.500
angle         1    1   16     0.420    107.800      0.000      0.000
angle         1    1   17     0.420    106.000      0.000      0.000
angle         1    1   18     0.420    102.000      0.000      0.000
angle         1    1   19     0.400    109.000    110.900    112.700
angle         1    1   22     0.450    112.400    112.400    112.400
angle         1    1   25     0.480    111.500      0.000      0.000
angle         1    1   29     0.450    110.000      0.000      0.000
angle         1    1   31     0.640    110.500      0.000      0.000
angle         1    1   32     0.560    110.200      0.000      0.000
angle         1    1   33     0.300    110.200      0.000      0.000
angle         1    1   34     0.500    108.200      0.000      0.000
angle         1    1   35     0.450    108.200      0.000      0.000
angle         1    1   36     0.360    109.390    109.410    110.000
angle         1    1   37     0.380    110.740      0.000      0.000
angle         1    1   39     0.570    103.500    102.700    103.900
angle         1    1   41     0.700    107.500      0.000      0.000
angle         1    1   43     0.380    104.640      0.000      0.000
angle         1    1   46     0.600    106.000    106.800    106.800
angle         1    1   50     0.450    109.470    109.510    109.500
angle         1    1   70     0.700    104.000      0.000      0.000
angle         1    1   71     0.450    107.800    109.900    110.000
angle         2    1    2     0.450    109.470    109.510    109.500
angle         2    1    3     0.470    109.470    110.510    110.200
angle         2    1    4     0.470    109.470    110.510    110.200
angle         2    1    5     0.360    109.390    109.410    110.000
angle         2    1    6     0.700    109.500      0.000      0.000
angle         2    1    8     1.045    110.740      0.000      0.000
angle         2    1    9     0.500    109.800      0.000      0.000
angle         2    1   11     0.650    109.000      0.000      0.000
angle         2    1   12     0.560    109.500      0.000      0.000
angle         2    1   15     0.420    107.800    107.800    109.500
angle         2    1   16     0.420    107.800      0.000      0.000
angle         2    1   19     0.500    109.500    110.500    113.000
angle         2    1   22     0.450    112.400      0.000      0.000
angle         2    1   36     0.360    109.390    109.410    110.000
angle         2    1   37     0.380    110.510      0.000      0.000
angle         2    1   39     1.045    110.740      0.000      0.000
angle         2    1   43     0.380    110.510      0.000      0.000
angle         3    1    3     0.470    109.470    110.510    110.200
angle         3    1    5     0.370    107.900    108.800    109.470
angle         3    1    6     0.700    109.500      0.000      0.000
angle         3    1    8     1.045    110.740      0.000      0.000
angle         3    1    9     0.820    109.800    111.100    109.800
angle         3    1   11     0.650    109.200      0.000      0.000
angle         3    1   12     0.560    109.800      0.000      0.000
angle         3    1   13     0.630    109.100      0.000      0.000
angle         3    1   14     0.490    108.900      0.000      0.000
angle         3    1   15     0.420    107.800      0.000      0.000
angle         3    1   16     0.420    107.800      0.000      0.000
angle         3    1   36     0.370    108.800    108.800    109.470
angle         4    1    4     0.470    109.470    110.510    110.200
angle         4    1    5     0.360    109.390    109.410    110.000
angle         5    1    5     0.320    109.400    109.000    109.470
angle         5    1    6     0.540    106.700    106.700    106.700
angle         5    1    8     0.500    108.800      0.000      0.000
angle         5    1    9     0.420    109.000      0.000      0.000
angle         5    1   11     0.490    110.500      0.000      0.000
angle         5    1   12     0.530    106.900      0.000      0.000
angle         5    1   13     0.440    106.500      0.000      0.000
angle         5    1   14     0.540    106.400      0.000      0.000
angle         5    1   15     0.360    112.000    112.000    109.300
angle         5    1   16     0.300    108.200      0.000      0.000
angle         5    1   17     0.384    108.600      0.000      0.000
angle         5    1   18     0.384    108.600      0.000      0.000
angle         5    1   19     0.320    108.600    110.800    107.000
angle         5    1   22     0.360    109.410    109.410    109.410
angle         5    1   25     0.360    111.000      0.000      0.000
angle         5    1   29     0.360    110.000      0.000      0.000
angle         5    1   31     0.449    110.400      0.000      0.000
angle         5    1   32     0.350    112.000      0.000      0.000
angle         5    1   33     0.100    109.500      0.000      0.000
angle         5    1   34     0.330    110.500      0.000      0.000
angle         5    1   35     0.300    110.500      0.000      0.000
angle         5    1   36     0.320    109.400    109.000    109.470
angle         5    1   37     0.480    107.500      0.000      0.000
angle         5    1   39     0.500    108.800      0.000      0.000
angle         5    1   41     0.540    106.700      0.000      0.000
angle         5    1   43     0.480    107.500      0.000      0.000
angle         5    1   46     0.480    109.000      0.000      0.000
angle         5    1   50     0.360    109.390    109.410    110.000
angle         5    1   70     0.350    102.800      0.000      0.000
angle         5    1   71     0.370    107.900    108.800    109.500
angle         5    1   72     0.480    107.500      0.000      0.000
angle         6    1    6     0.460     99.900     97.000    102.200
angle         6    1   12     0.560    108.500      0.000      0.000
angle         6    1   71     0.700    103.000      0.000      0.000
angle         8    1    8     1.045    110.740      0.000      0.000
angle         8    1   39     1.045    110.740      0.000      0.000
angle         9    1   15     0.580    107.000    108.000    114.800
angle         9    1   36     0.420    109.000      0.000      0.000
angle        11    1   11     1.070    107.100      0.000      0.000
angle        11    1   12     1.075    110.400      0.000      0.000
angle        11    1   13     1.024    109.400      0.000      0.000
angle        12    1   12     1.080    111.700      0.000      0.000
angle        12    1   13     1.030    110.700      0.000      0.000
angle        13    1   13     0.980    109.700      0.000      0.000
angle        15    1   15     0.420    116.200      0.000      0.000
angle        19    1   19     0.400    115.500      0.000      0.000
angle        22    1   22     0.450    112.000      0.000    105.000
angle        22    1   37     0.380    110.200      0.000      0.000
angle        22    1   43     0.380    110.200      0.000      0.000
angle        36    1   36     0.320    109.400    109.000    109.470
angle        36    1   50     0.360    109.390    109.410    110.000
angle        50    1   50     0.450    109.470    109.510    109.500
angle         1    2    1     0.450    117.200      0.000      0.000
angle         1    2    2     0.550    121.400    122.000      0.000
angle         1    2    3     0.380    121.000      0.000      0.000
angle         1    2    4     0.470    122.000      0.000      0.000
angle         1    2    5     0.360    118.200      0.000      0.000
angle         1    2    6     0.500    120.000      0.000      0.000
angle         1    2   19     0.400    120.000      0.000      0.000
angle         1    2   37     0.550    115.100    125.300      0.000
angle         2    2    2     0.430    120.000      0.000      0.000
angle         2    2    3     0.600    114.600    117.600      0.000
angle         2    2    5     0.360    120.000    120.500      0.000
angle         2    2    6     0.700    124.300      0.000      0.000
angle         2    2    8     0.616    123.000    124.000      0.000
angle         2    2    9     0.500    118.000      0.000      0.000
angle         2    2   11     0.650    121.000      0.000      0.000
angle         2    2   12     0.550    118.800      0.000      0.000
angle         2    2   13     0.450    118.100      0.000      0.000
angle         2    2   14     0.410    118.800      0.000      0.000
angle         2    2   19     0.400    122.500    120.500      0.000
angle         2    2   22     0.550    121.000      0.000      0.000
angle         2    2   25     0.380    120.000      0.000      0.000
angle         2    2   37     0.430    120.000    123.500      0.000
angle         2    2   40     0.430    120.000    119.000      0.000
angle         2    2   41     0.600    120.000    118.100      0.000
angle         2    2   42     0.380    119.000      0.000      0.000
angle         2    2   46     0.600    113.500      0.000      0.000
angle         2    2   72     0.430    120.000    123.500      0.000
angle         3    2    5     0.240    120.000      0.000      0.000
angle         4    2    5     0.360    121.100    121.600      0.000
angle         5    2    5     0.320    119.000      0.000      0.000
angle         5    2    6     0.540    116.400      0.000      0.000
angle         5    2    8     0.540    119.000      0.000      0.000
angle         5    2    9     0.300    109.000      0.000      0.000
angle         5    2   11     0.450    120.000      0.000      0.000
angle         5    2   12     0.450    112.600      0.000      0.000
angle         5    2   13     0.460    112.100      0.000      0.000
angle         5    2   14     0.450    112.600      0.000      0.000
angle         5    2   19     0.240    118.400      0.000      0.000
angle         5    2   22     0.360    118.200      0.000      0.000
angle         5    2   37     0.360    116.500    120.500      0.000
angle         5    2   38     0.360    120.000      0.000      0.000
angle         5    2   40     0.400    113.500      0.000      0.000
angle         5    2   41     0.450    108.000      0.000      0.000
angle         5    2   42     0.400    120.000      0.000      0.000
angle         5    2   46     0.260    119.000      0.000      0.000
angle         5    2   72     0.360    116.500    120.500      0.000
angle         9    2    9     0.400    120.000      0.000      0.000
angle        12    2   41     0.500    105.000      0.000      0.000
angle        13    2   41     0.500    104.000      0.000      0.000
angle        14    2   41     0.500    107.000      0.000      0.000
angle        19    2   19     0.400    120.000      0.000      0.000
angle        37    2   37     0.400    120.000    127.000      0.000
angle        37    2   40     0.400    126.000    126.000      0.000
angle         1    3    1     0.400    116.600      0.000      0.000
angle         1    3    2     0.400    115.000      0.000      0.000
angle         1    3    3     0.600    114.000      0.000      0.000
angle         1    3    5     0.370    116.400      0.000      0.000
angle         1    3    6     0.650    107.100      0.000      0.000
angle         1    3    7     0.460    122.500      0.000      0.000
angle         1    3    9     0.660    116.500      0.000      0.000
angle         1    3   72     0.550    116.800      0.000      0.000
angle         2    3    2     0.600    112.000      0.000      0.000
angle         2    3    3     0.480    120.000      0.000      0.000
angle         2    3    5     0.400    113.500      0.000      0.000
angle         2    3    6     0.700    124.300      0.000      0.000
angle         2    3    7     0.460    123.000      0.000      0.000
angle         2    3    9    99.000    120.000      0.000      0.000
angle         2    3   72     0.690    120.400      0.000      0.000
angle         3    3    5     0.400    112.000      0.000      0.000
angle         3    3    7     0.430    119.000      0.000      0.000
angle         3    3   36     0.400    112.500      0.000      0.000
angle         5    3    5     0.360    118.200      0.000      0.000
angle         5    3    6     0.650    105.900      0.000      0.000
angle         5    3    7     0.370    120.300      0.000      0.000
angle         5    3    9     0.300    109.000      0.000      0.000
angle         5    3   72     0.660    119.500      0.000      0.000
angle         6    3    7     0.800    122.000      0.000      0.000
angle         7    3    9     0.670    124.300      0.000      0.000
angle         7    3   22     0.460    122.500      0.000      0.000
angle         7    3   36     0.370    120.000      0.000      0.000
angle         9    3    9     0.500    120.000      0.000      0.000
angle         1    4    4     0.200    180.000      0.000      0.000
angle         1    4   10     0.325    180.000      0.000      0.000
angle         2    4    2     0.400    180.000      0.000      0.000
angle         2    4    4     0.470    180.000      0.000      0.000
angle         4    4    5     0.360    180.000      0.000      0.000
angle         1    6    1     0.770    106.800      0.000      0.000
angle         1    6    2     0.770    110.800      0.000      0.000
angle         1    6    3     0.600    109.900      0.000      0.000
angle         1    6    6     0.635     98.700      0.000      0.000
angle         1    6   19     0.400    114.600      0.000      0.000
angle         1    6   20     0.350    105.160      0.000      0.000
angle         1    6   21     0.350    106.900      0.000      0.000
angle         1    6   25     0.770    116.000      0.000      0.000
angle         2    6   20     0.350    103.260      0.000      0.000
angle         2    6   25     0.800    118.000      0.000      0.000
angle         2    6   28     0.350    108.000      0.000      0.000
angle         3    6   20     0.350    105.160      0.000      0.000
angle         3    6   24     0.300    106.100      0.000      0.000
angle         6    6   20     0.350    103.260      0.000      0.000
angle         6    6   21     0.511     98.440      0.000      0.000
angle        19    6   19     0.150    145.700      0.000      0.000
angle        19    6   20     0.350     97.500      0.000      0.000
angle        20    6   20     0.240    131.000      0.000      0.000
angle        20    6   21     0.240    101.010      0.000      0.000
angle        20    6   24     0.240    101.000      0.000      0.000
angle        20    6   25     0.350    105.000      0.000      0.000
angle        20    6   28     0.240    101.100      0.000      0.000
angle        21    6   21     0.400    104.500      0.000      0.000
angle        21    6   21     0.630    105.000      0.000      0.000
angle         1    8    1     0.630    107.700      0.000      0.000
angle         1    8    2     0.698    107.000      0.000      0.000
angle         1    8    8     0.740    105.500      0.000      0.000
angle         1    8   20     0.500    109.200      0.000      0.000
angle         1    8   23     0.500    109.470      0.000      0.000
angle         2    8   20     0.350     87.000      0.000      0.000
angle         2    8   23     0.527    109.500      0.000      0.000
angle         8    8   20     0.350    109.000      0.000      0.000
angle         8    8   23     0.430    103.200      0.000      0.000
angle        20    8   20     0.587    106.820      0.000      0.000
angle        20    8   23     0.500    108.000      0.000      0.000
angle        23    8   23     0.500    104.500      0.000      0.000
angle         1    9    1     0.760    126.000      0.000      0.000
angle         1    9    2     0.630    119.900      0.000      0.000
angle         1    9    3     0.760    119.900      0.000      0.000
angle         1    9   18     0.300    110.000      0.000      0.000
angle         1    9   28     0.440    124.000      0.000      0.000
angle         2    9    2     0.400    107.000      0.000      0.000
angle         2    9    3     0.600    115.000      0.000      0.000
angle         2    9   28     0.500    110.000      0.000      0.000
angle         3    9    3     0.500    125.000      0.000      0.000
angle         3    9   28     0.420    119.000      0.000      0.000
angle        18    9   28     0.300    122.000      0.000      0.000
angle        28    9   28     0.320    123.000      0.000      0.000
angle         1   15    1     0.720     96.300      0.000      0.000
angle         1   15    5     0.480     96.000      0.000      0.000
angle         1   15   15     1.168    102.900      0.000      0.000
angle         5   15   15     0.400     91.200      0.000      0.000
angle         1   16    1     0.500     94.300      0.000      0.000
angle         1   16    5     0.400     94.000      0.000      0.000
angle         1   17    1     0.720     93.000      0.000      0.000
angle         1   17    7     0.597    106.000      0.000      0.000
angle         1   18    1     0.720    102.000      0.000      0.000
angle         1   18    7     0.597    107.700      0.000      0.000
angle         1   18    9     0.800    103.000      0.000      0.000
angle         5   18    7     0.560    101.500      0.000      0.000
angle         5   18    9     0.600     98.000      0.000      0.000
angle         7   18    7     0.900    116.600      0.000      0.000
angle         7   18    9     1.700    108.000      0.000      0.000
angle         1   19    1     0.480    110.800    110.400    108.500
angle         1   19    2     0.400    110.200      0.000      0.000
angle         1   19    5     0.460    109.300    107.000    110.200
angle         1   19    6     0.350    108.500      0.000      0.000
angle         1   19   19     0.750    110.000      0.000      0.000
angle         2   19    2     0.600    109.500      0.000      0.000
angle         2   19    5     0.240    109.500      0.000      0.000
angle         2   19   19     0.400    110.200      0.000      0.000
angle         5   19    5     0.380    104.500    108.700    109.500
angle         5   19    6     0.350    109.500      0.000      0.000
angle         5   19   19     0.378    111.000    111.000    111.000
angle         5   19   22     0.460    110.200      0.000      0.000
angle         6   19    6     0.450    113.500      0.000      0.000
angle        19   19   19     0.350    111.300    110.800    110.000
angle         1   22    1     0.450    120.000      0.000      0.000
angle         1   22    5     0.360    123.500      0.000      0.000
angle         1   22   22     0.600    118.200    118.200      0.000
angle         1   22   49     0.560    115.000      0.000      0.000
angle         2   22    2     0.450    120.000      0.000      0.000
angle         2   22    5     0.360    123.500      0.000      0.000
angle         2   22   22     0.600    118.200      0.000      0.000
angle         2   22   49     0.560    115.000      0.000      0.000
angle         3   22    5     0.360    123.500    123.500    123.500
angle         5   22    5     0.320    120.600      0.000      0.000
angle         5   22   19     0.240    123.500      0.000      0.000
angle         5   22   22     0.360    124.500    119.700      0.000
angle         5   22   38     0.360    124.500    119.700      0.000
angle         5   22   46     0.050    114.000      0.000      0.000
angle         5   22   49     0.430    113.000      0.000      0.000
angle        19   22   22     0.530    117.500      0.000      0.000
angle        22   22   22     0.350    119.140    120.700      0.000
angle        22   22   46     0.700    117.000    117.000    117.000
angle         1   25    1     0.576     96.000      0.000      0.000
angle         1   25    2     0.480     92.500      0.000      0.000
angle         1   25    5     0.480     95.000      0.000      0.000
angle         2   25    2     0.480     93.200      0.000      0.000
angle         5   25    5     0.438     93.400      0.000      0.000
angle         6   25    6     0.450     99.500      0.000      0.000
angle         1   29    1     0.450    120.000      0.000      0.000
angle         1   29    5     0.360    120.000      0.000      0.000
angle         5   29    5     0.320    120.000      0.000      0.000
angle         1   31    1     0.490    110.000      0.000      0.000
angle         1   31    5     0.352    109.500      0.000      0.000
angle         5   31    5     0.216    109.000      0.000      0.000
angle         1   32    1     0.320    107.000      0.000      0.000
angle         1   32    5     0.227    110.500      0.000      0.000
angle         5   32    5     0.132    109.500      0.000      0.000
angle         1   33    1     0.100    109.500      0.000      0.000
angle         1   33    5     0.100    109.500      0.000      0.000
angle         1   33   33     0.100    109.500      0.000      0.000
angle         5   33    5     0.100    109.500      0.000      0.000
angle         1   34    1     0.500     94.800      0.000      0.000
angle         1   34    5     0.430     94.500      0.000      0.000
angle         1   35    1     0.590     95.050      0.000      0.000
angle         1   35    5     0.390     94.600      0.000      0.000
angle         1   37    2     0.550    108.000      0.000      0.000
angle         1   37   20     0.350    120.000      0.000      0.000
angle         1   37   37     0.690    106.500      0.000      0.000
angle         1   37   43     0.570     99.100      0.000      0.000
angle         2   37    2     0.430    115.000      0.000      0.000
angle         2   37   20     0.500    122.500      0.000      0.000
angle         2   37   23     0.500    110.000      0.000      0.000
angle         2   37   37     0.400    107.500      0.000      0.000
angle         2   37   40     0.430    115.000      0.000      0.000
angle        20   37   23     0.500    127.500      0.000      0.000
angle        20   37   37     0.350    120.000      0.000      0.000
angle        20   37   40     0.500    122.500      0.000      0.000
angle        20   37   43     0.350    120.000      0.000      0.000
angle        23   37   37     0.400    103.500      0.000      0.000
angle         1   38   22     0.450    117.200      0.000      0.000
angle         2   38   22     0.550    137.000      0.000      0.000
angle         5   38   22     0.360    146.000      0.000      0.000
angle         5   38   38     0.360    146.000      0.000      0.000
angle         1   39    1     0.630    108.600    111.200    115.400
angle         1   39   48     0.500    109.470      0.000      0.000
angle        48   39   48     0.500    104.500      0.000      0.000
angle         2   40    2     0.430    124.000    124.000      0.000
angle         2   40   23     0.360    118.000      0.000      0.000
angle         2   40   37     0.430    124.000    124.000      0.000
angle        23   40   37     0.360    113.000      0.000      0.000
angle         1   41    2     0.770    113.600      0.000      0.000
angle         1   41   20     0.350    124.200      0.000      0.000
angle         2   41    2     0.870    113.950      0.000      0.000
angle         2   41   20     0.350    122.200      0.000      0.000
angle         2   41   28     0.360    109.000      0.000      0.000
angle        20   41   28     0.360    128.800      0.000      0.000
angle         2   42    2     0.680     98.500      0.000      0.000
angle         1   43    7     0.570    120.400      0.000      0.000
angle         1   43   37     0.380    114.000      0.000      0.000
angle         7   43   37     0.380    125.000      0.000      0.000
angle         1   46    7     0.594    115.830      0.000      0.000
angle         2   46    7     0.800    115.000      0.000      0.000
angle         7   46    7     0.600    128.600      0.000      0.000
angle         7   46   22     0.594    111.000      0.000      0.000
angle        20   49   20     0.240    131.000      0.000      0.000
angle        20   49   22     0.350    103.000      0.000      0.000
angle         1   50    1     0.450    117.200      0.000      0.000
angle         1   50    5     0.360    118.200      0.000      0.000
angle         1   50   50     0.550    121.400    122.000    120.000
angle         5   50    5     0.320    119.000      0.000      0.000
angle         5   50   50     0.360    120.000    120.500      0.000
angle        50   50   50     0.430    120.000      0.000      0.000
angle         1   70   71     0.800    116.000      0.000      0.000
angle         1   71    1     0.400    116.600      0.000      0.000
angle         1   71    5     0.370    116.400      0.000      0.000
angle         1   71   70     0.520    113.000    116.500      0.000
angle         5   71    5     0.440    122.400      0.000      0.000
angle         5   71   70     0.360    111.000    117.000      0.000
angle         1   72    3     0.550    111.000      0.000      0.000
angle         1   72   20     0.350    120.000      0.000      0.000
angle         2   72    3     0.570    115.000      0.000      0.000
angle         2   72   20     0.500    122.500      0.000      0.000
angle         3   72   20     0.550    112.500      0.000      0.000
angle         3   72   23     0.550    110.000      0.000      0.000
angle        20   72   23     0.500    127.500      0.000      0.000


      #########################################
      ##                                     ##
      ##  Angle Bending Parameters (4-Ring)  ##
      ##                                     ##
      #########################################


angle4        1    1    1     0.340    109.470      0.000    109.500
angle4        1    1    1     0.290      0.000    109.510      0.000
angle4        1    1    2     0.360    109.470    109.510    109.500
angle4        1    1    3     0.340    107.800    109.900    111.000
angle4        1    1    6     0.530    107.400      0.000      0.000
angle4        1    1    8     0.320    108.800      0.000      0.000
angle4        1    1    9     0.550    106.500      0.000      0.000
angle4        1    1   15     0.500    106.500    106.500    105.800
angle4        1    1   19     0.300     94.500      0.000     94.500
angle4        1    1   22     0.340      0.000    112.300    112.300
angle4        1    1   31     0.640     92.000      0.000      0.000
angle4        1    1   37     0.350    110.740      0.000      0.000
angle4        1    1   39     0.450    108.800      0.000      0.000
angle4        1    1   43     0.350    110.740      0.000      0.000
angle4        2    1    2     0.340    109.470    109.510    109.500
angle4        1    2    1     0.220    117.200      0.000      0.000
angle4        1    2    2     0.340    121.400    122.000    120.000
angle4        2    2    2     0.340    120.000      0.000      0.000
angle4        1    3    1     0.300    116.600      0.000      0.000
angle4        1    3    6     0.480    106.500      0.000      0.000
angle4        1    3    9     0.660    113.000      0.000      0.000
angle4        1    3   11     0.490     88.000      0.000      0.000
angle4       22    3   22     0.300    116.600      0.000      0.000
angle4        1    6    1     0.580    106.800      0.000      0.000
angle4        1    6    3     0.450    109.900      0.000      0.000
angle4        1    8    1     0.470    107.700      0.000      0.000
angle4        1    9    3     0.600    119.800      0.000      0.000
angle4        1   15    1     0.650     96.500      0.000      0.000
angle4        1   19    1     0.450     90.500      0.000     90.500
angle4        1   22   22     0.340      0.000    119.300      0.000
angle4        3   22   22     0.340    119.300    119.300    119.300
angle4       22   22   22     0.450    112.500     98.000      0.000
angle4        1   31    1     0.490     88.000      0.000      0.000
angle4        1   37   37     0.620    106.500      0.000      0.000
angle4        1   37   43     0.480     99.100      0.000      0.000
angle4        1   39    1     0.380    107.700      0.000      0.000
angle4        1   43   37     0.350    114.000      0.000      0.000


      #########################################
      ##                                     ##
      ##  Angle Bending Parameters (3-Ring)  ##
      ##                                     ##
      #########################################


angle3       22   22   22     0.450     55.800     60.000     60.000
angle3       22   22   38     0.450     48.000      0.000      0.000
angle3       22   22   49     0.560     59.300      0.000      0.000
angle3       38   22   38     0.450     53.000      0.000      0.000
angle3       22   38   22     0.400     67.000      0.000      0.000
angle3       22   38   38     0.550     80.000      0.000      0.000
angle3       22   49   22     0.620     61.400      0.000      0.000


      ###############################
      ##                           ##
      ##  Stretch-Bend Parameters  ##
      ##                           ##
      ###############################


strbnd        1       0.120     0.090     0.000
strbnd        2       0.120     0.090     0.000
strbnd        3       0.120     0.090     0.000
strbnd        4       0.120     0.090     0.000
strbnd        6       0.120     0.090     0.000
strbnd        8       0.120     0.090     0.000
strbnd        9       0.120     0.090     0.000
strbnd       15       0.250    -0.400     0.000
strbnd       16       0.250    -0.400     0.000
strbnd       17       0.250    -0.400     0.000
strbnd       18       0.250    -0.400     0.000
strbnd       19       0.200     0.060     0.000
strbnd       22       0.120     0.090     0.000
strbnd       25       0.200     0.060     0.000
strbnd       26       0.120     0.090     0.000
strbnd       27       0.120     0.090     0.000
strbnd       29       0.120     0.090     0.000
strbnd       30       0.120     0.090     0.000
strbnd       34       0.450     0.000     0.000
strbnd       37       0.120     0.090     0.000
strbnd       38       0.120     0.090     0.000
strbnd       39       0.120     0.090     0.000
strbnd       40       0.120     0.090     0.000
strbnd       41       0.120     0.090     0.000
strbnd       42       0.250    -0.400     0.000
strbnd       43       0.120     0.090     0.000
strbnd       45       0.120     0.090     0.000
strbnd       46       0.120     0.090     0.000
strbnd       49       0.120     0.090     0.000
strbnd       50       0.120     0.090     0.000
strbnd       60       0.200     0.060     0.000
strbnd       71       0.120     0.090     0.000
strbnd       72       0.120     0.090     0.000


      ####################################
      ##                                ##
      ##  Out-of-Plane Bend Parameters  ##
      ##                                ##
      ####################################


opbend        2    1          0.050
opbend        2    2          0.050
opbend        2    3          0.050
opbend        2    4          0.050
opbend        2    5          0.050
opbend        2    6          0.050
opbend        2    7          0.050
opbend        2    8          0.050
opbend        2    9          0.050
opbend        2   11          0.050
opbend        2   12          0.050
opbend        2   13          0.050
opbend        2   14          0.050
opbend        2   19          0.050
opbend        2   22          0.050
opbend        2   25          0.500
opbend        2   37          0.050
opbend        2   38          0.050
opbend        2   40          0.050
opbend        2   41          0.050
opbend        2   42          0.050
opbend        2   46          0.200
opbend        2   72          0.050
opbend        3    1          0.800
opbend        3    2          0.800
opbend        3    3          0.900
opbend        3    4          0.800
opbend        3    5          0.800
opbend        3    6          0.800
opbend        3    7          0.800
opbend        3    8          0.800
opbend        3    9          0.800
opbend        3   22          0.800
opbend        3   36          0.800
opbend        3   72          0.050
opbend        9    1          0.050
opbend        9    2          0.050
opbend        9    3          0.050
opbend        9    4          0.050
opbend        9    6          0.050
opbend        9    7          0.050
opbend        9    8          0.050
opbend        9    9          0.050
opbend        9   18          0.050
opbend        9   28          0.010
opbend       29    1          0.150
opbend       29    5          0.150
opbend       30    1          0.050
opbend       30    5          0.050
opbend       37    1          0.050
opbend       37    1          0.050
opbend       37    2          0.050
opbend       37   20          0.050
opbend       37   20          0.050
opbend       37   23          0.050
opbend       37   23          0.050
opbend       37   37          0.050
opbend       37   37          0.050
opbend       37   40          0.050
opbend       37   43          0.050
opbend       38    2          0.050
opbend       38    5          0.050
opbend       38   22          0.050
opbend       38   38          0.050
opbend       40    2          0.050
opbend       40   23          0.050
opbend       40   37          0.050
opbend       41    1          0.050
opbend       41    2          0.050
opbend       41   20          0.050
opbend       41   28          0.050
opbend       43    1          0.050
opbend       43    7          0.050
opbend       43   37          0.050
opbend       46    1          0.200
opbend       46    2          0.200
opbend       46    7          0.200
opbend       46   22          0.200
opbend       50    1          0.050
opbend       50    5          0.050
opbend       50   50          0.050
opbend       71    1          0.800
opbend       71    5          0.800
opbend       71   70          1.569
opbend       72    1          0.050
opbend       72    2          0.050
opbend       72    3          0.050
opbend       72   20          0.050
opbend       72   23          0.050


      ############################
      ##                        ##
      ##  Torsional Parameters  ##
      ##                        ##
      ############################


torsion      1    1    1    1      0.200 0.0 1    0.270 180.0 2    0.093 0.0 3
torsion      1    1    1    2      0.170 0.0 1    0.270 180.0 2    0.093 0.0 3
torsion      1    1    1    3      0.050 0.0 1    0.370 180.0 2    0.000 0.0 3
torsion      1    1    1    4      0.200 0.0 1   -0.260 180.0 2    0.093 0.0 3
torsion      1    1    1    5      0.000 0.0 1    0.000 180.0 2    0.267 0.0 3
torsion      1    1    1    6      0.100 0.0 1    0.100 180.0 2    0.180 0.0 3
torsion      1    1    1    8      0.100 0.0 1    0.400 180.0 2    0.500 0.0 3
torsion      1    1    1    9      0.000 0.0 1    0.000 180.0 2    0.400 0.0 3
torsion      1    1    1   11      0.000 0.0 1   -0.086 180.0 2    0.930 0.0 3
torsion      1    1    1   12      0.000 0.0 1   -0.250 180.0 2    0.550 0.0 3
torsion      1    1    1   13      0.000 0.0 1   -0.410 180.0 2    1.060 0.0 3
torsion      1    1    1   14      0.000 0.0 1   -0.500 180.0 2    0.267 0.0 3
torsion      1    1    1   15      0.140 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      1    1    1   16      0.000 0.0 1    0.000 180.0 2    0.483 0.0 3
torsion      1    1    1   17      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      1    1    1   18      0.200 0.0 1    0.270 180.0 2    0.093 0.0 3
torsion      1    1    1   19      0.000 0.0 1    0.000 180.0 2    0.500 0.0 3
torsion      1    1    1   22      0.200 0.0 1   -0.200 180.0 2    0.600 0.0 3
torsion      1    1    1   25      0.000 0.0 1    0.000 180.0 2    0.400 0.0 3
torsion      1    1    1   29      0.170 0.0 1    0.270 180.0 2    0.093 0.0 3
torsion      1    1    1   31      0.000 0.0 1    0.000 180.0 2   -0.065 0.0 3
torsion      1    1    1   32     -0.083 0.0 1   -0.083 180.0 2    0.050 0.0 3
torsion      1    1    1   33      0.000 0.0 1   -0.008 180.0 2    0.110 0.0 3
torsion      1    1    1   34      0.140 0.0 1    0.000 180.0 2    0.100 0.0 3
torsion      1    1    1   35      0.000 0.0 1    0.200 180.0 2    0.400 0.0 3
torsion      1    1    1   36      0.000 0.0 1    0.000 180.0 2    0.267 0.0 3
torsion      1    1    1   37      0.000 0.0 1    0.000 180.0 2    0.100 0.0 3
torsion      1    1    1   39      0.100 0.0 1    0.400 180.0 2    0.500 0.0 3
torsion      1    1    1   43      0.000 0.0 1    0.000 180.0 2    0.100 0.0 3
torsion      1    1    1   46      0.000 0.0 1    0.000 180.0 2    0.800 0.0 3
torsion      1    1    1   50      0.170 0.0 1    0.270 180.0 2    0.093 0.0 3
torsion      1    1    1   70      0.129 0.0 1   -0.650 180.0 2    0.817 0.0 3
torsion      1    1    1   71      0.050 0.0 1    0.370 180.0 2    0.000 0.0 3
torsion      2    1    1    2      2.100 0.0 1    0.270 180.0 2    0.093 0.0 3
torsion      2    1    1    3      0.000 0.0 1    0.000 180.0 2    0.180 0.0 3
torsion      2    1    1    4      0.000 0.0 1    0.000 180.0 2    0.093 0.0 3
torsion      2    1    1    5      0.000 0.0 1    0.000 180.0 2    0.500 0.0 3
torsion      2    1    1    6      0.000 0.0 1    0.000 180.0 2    0.180 0.0 3
torsion      2    1    1    8      0.000 0.0 1    0.000 180.0 2    0.180 0.0 3
torsion      2    1    1    9      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      2    1    1   15      0.000 0.0 1    0.000 180.0 2    0.483 0.0 3
torsion      2    1    1   16      0.000 0.0 1    0.000 180.0 2    0.483 0.0 3
torsion      2    1    1   19      0.000 0.0 1    0.000 180.0 2    0.167 0.0 3
torsion      2    1    1   36      0.000 0.0 1    0.000 180.0 2    0.500 0.0 3
torsion      2    1    1   39      0.000 0.0 1    0.000 180.0 2    0.180 0.0 3
torsion      3    1    1    3      0.000 0.0 1    0.000 180.0 2    0.180 0.0 3
torsion      3    1    1    5      0.000 0.0 1    0.000 180.0 2    0.180 0.0 3
torsion      3    1    1    6      0.000 0.0 1    0.000 180.0 2    0.180 0.0 3
torsion      3    1    1    8      0.000 0.0 1    0.400 180.0 2    0.500 0.0 3
torsion      3    1    1    9      0.000 0.0 1    0.000 180.0 2    0.180 0.0 3
torsion      3    1    1   11     -1.000 0.0 1    0.000 180.0 2    0.200 0.0 3
torsion      3    1    1   12     -0.585 0.0 1    0.000 180.0 2    0.200 0.0 3
torsion      3    1    1   13     -0.465 0.0 1    0.000 180.0 2    0.200 0.0 3
torsion      3    1    1   15      0.000 0.0 1    0.000 180.0 2    0.483 0.0 3
torsion      3    1    1   16      0.000 0.0 1    0.000 180.0 2    0.483 0.0 3
torsion      3    1    1   25      0.000 0.0 1    0.000 180.0 2    0.400 0.0 3
torsion      3    1    1   36      0.000 0.0 1    0.000 180.0 2    0.180 0.0 3
torsion      3    1    1   39      0.000 0.0 1    0.400 180.0 2    0.500 0.0 3
torsion      4    1    1    4      1.000 0.0 1    0.000 180.0 2    0.093 0.0 3
torsion      4    1    1    5      0.000 0.0 1    0.000 180.0 2    0.400 0.0 3
torsion      4    1    1    6      0.000 0.0 1   -0.400 180.0 2    0.180 0.0 3
torsion      5    1    1    5      0.000 0.0 1    0.000 180.0 2    0.237 0.0 3
torsion      5    1    1    6      0.000 0.0 1    0.000 180.0 2    0.180 0.0 3
torsion      5    1    1    8     -0.150 0.0 1    0.000 180.0 2    0.150 0.0 3
torsion      5    1    1    9      0.000 0.0 1    0.000 180.0 2    0.400 0.0 3
torsion      5    1    1   11      0.000 0.0 1    0.000 180.0 2    0.351 0.0 3
torsion      5    1    1   12      0.000 0.0 1    0.000 180.0 2    0.406 0.0 3
torsion      5    1    1   13      0.000 0.0 1    0.000 180.0 2    0.385 0.0 3
torsion      5    1    1   14      0.000 0.0 1    0.000 180.0 2    0.267 0.0 3
torsion      5    1    1   15      0.000 0.0 1    0.000 180.0 2    0.330 0.0 3
torsion      5    1    1   16      0.000 0.0 1    0.000 180.0 2    0.483 0.0 3
torsion      5    1    1   17      0.000 0.0 1    0.000 180.0 2    0.125 0.0 3
torsion      5    1    1   18      0.000 0.0 1    0.000 180.0 2    0.125 0.0 3
torsion      5    1    1   19      0.000 0.0 1    0.000 180.0 2    0.105 0.0 3
torsion      5    1    1   22      0.000 0.0 1    0.000 180.0 2    0.167 0.0 3
torsion      5    1    1   25      0.000 0.0 1    0.000 180.0 2    0.330 0.0 3
torsion      5    1    1   29      0.000 0.0 1    0.000 180.0 2    0.100 0.0 3
torsion      5    1    1   31      0.000 0.0 1    0.000 180.0 2   -0.065 0.0 3
torsion      5    1    1   32      0.000 0.0 1    0.000 180.0 2   -0.155 0.0 3
torsion      5    1    1   33      0.000 0.0 1    0.000 180.0 2    0.040 0.0 3
torsion      5    1    1   34      0.000 0.0 1    0.000 180.0 2    0.280 0.0 3
torsion      5    1    1   35      0.000 0.0 1    0.000 180.0 2    0.540 0.0 3
torsion      5    1    1   36      0.000 0.0 1    0.000 180.0 2    0.237 0.0 3
torsion      5    1    1   37      0.000 0.0 1    0.000 180.0 2    0.500 0.0 3
torsion      5    1    1   39     -0.150 0.0 1    0.000 180.0 2    0.150 0.0 3
torsion      5    1    1   41      0.000 0.0 1    0.000 180.0 2    0.180 0.0 3
torsion      5    1    1   43      0.000 0.0 1    0.000 180.0 2    0.500 0.0 3
torsion      5    1    1   46      0.000 0.0 1    0.000 180.0 2    0.300 0.0 3
torsion      5    1    1   50      0.000 0.0 1    0.000 180.0 2    0.500 0.0 3
torsion      5    1    1   70      0.004 0.0 1    0.000 180.0 2    0.427 0.0 3
torsion      5    1    1   71      0.000 0.0 1    0.000 180.0 2    0.180 0.0 3
torsion      6    1    1    6      0.000 0.0 1   -0.600 180.0 2    0.300 0.0 3
torsion      6    1    1    8      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      6    1    1    9      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      6    1    1   11      0.000 0.0 1   -1.400 180.0 2    0.180 0.0 3
torsion      6    1    1   12      0.000 0.0 1   -1.400 180.0 2    0.180 0.0 3
torsion      6    1    1   13      0.000 0.0 1   -1.400 180.0 2    0.180 0.0 3
torsion      6    1    1   14      0.000 0.0 1   -1.400 180.0 2    0.180 0.0 3
torsion      6    1    1   15     -0.800 0.0 1    0.900 180.0 2   -0.300 0.0 3
torsion      6    1    1   17     -0.800 0.0 1    0.900 180.0 2   -0.300 0.0 3
torsion      6    1    1   18     -0.800 0.0 1    0.000 180.0 2   -0.300 0.0 3
torsion      6    1    1   39      0.000 0.0 1   -0.600 180.0 2    0.300 0.0 3
torsion      6    1    1   70     -5.500 0.0 1   -2.500 180.0 2    2.000 0.0 3
torsion      6    1    1   71     -7.225 0.0 1    0.000 180.0 2    0.740 0.0 3
torsion      8    1    1    8     -0.400 0.0 1   -1.100 180.0 2    1.200 0.0 3
torsion      8    1    1    9      1.170 0.0 1   -1.263 180.0 2    2.064 0.0 3
torsion      9    1    1    9      0.000 0.0 1    0.000 180.0 2   -0.500 0.0 3
torsion      9    1    1   15     -1.000 0.0 1   -0.300 180.0 2    0.400 0.0 3
torsion      9    1    1   15      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion     11    1    1   11     -0.100 0.0 1   -2.000 180.0 2    0.200 0.0 3
torsion     11    1    1   12      0.000 0.0 1    0.000 180.0 2    0.253 0.0 3
torsion     11    1    1   13      0.000 0.0 1    0.000 180.0 2    0.253 0.0 3
torsion     12    1    1   12     -0.240 0.0 1    0.620 180.0 2    0.540 0.0 3
torsion     12    1    1   13      0.000 0.0 1    0.000 180.0 2    0.267 0.0 3
torsion     13    1    1   13      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion     15    1    1   15     -0.800 0.0 1    0.900 180.0 2   -0.300 0.0 3
torsion     15    1    1   17      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion     17    1    1   17      0.000 0.0 1    0.000 180.0 2    0.125 0.0 3
torsion     19    1    1   19      0.000 0.0 1    0.000 180.0 2    0.167 0.0 3
torsion     22    1    1   22      0.200 0.0 1    0.270 180.0 2    0.093 0.0 3
torsion     29    1    1   29      2.100 0.0 1    0.270 180.0 2    0.093 0.0 3
torsion     36    1    1   36      0.000 0.0 1    0.000 180.0 2    0.237 0.0 3
torsion     41    1    1   41      0.000 0.0 1   -0.600 180.0 2    0.300 0.0 3
torsion      1    1    2    1      0.400 0.0 1    0.030 180.0 2    0.500 0.0 3
torsion      1    1    2    2     -0.440 0.0 1    0.240 180.0 2    0.060 0.0 3
torsion      1    1    2    3      0.000 0.0 1    0.000 180.0 2    0.457 0.0 3
torsion      1    1    2    4     -0.440 0.0 1    0.240 180.0 2    0.060 0.0 3
torsion      1    1    2    5      0.000 0.0 1    0.000 180.0 2    0.010 0.0 3
torsion      1    1    2    6      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      1    1    2   19      0.000 0.0 1    0.000 180.0 2    0.350 0.0 3
torsion      2    1    2    1      0.000 0.0 1    0.000 180.0 2    0.300 0.0 3
torsion      2    1    2    2      0.100 0.0 1    0.000 180.0 2    0.500 0.0 3
torsion      2    1    2    5      0.000 0.0 1    0.000 180.0 2    0.600 0.0 3
torsion      2    1    2    6      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      3    1    2    1      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      3    1    2    2      0.000 0.0 1    0.000 180.0 2    0.100 0.0 3
torsion      3    1    2    5      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      4    1    2    1      0.000 0.0 1    0.000 180.0 2    0.780 0.0 3
torsion      4    1    2    2      0.000 0.0 1    0.000 180.0 2    0.100 0.0 3
torsion      4    1    2    5      0.000 0.0 1    0.000 180.0 2    0.780 0.0 3
torsion      5    1    2    1      0.000 0.0 1    0.000 180.0 2    0.540 0.0 3
torsion      5    1    2    2      0.000 0.0 1    0.000 180.0 2   -0.240 0.0 3
torsion      5    1    2    3      0.000 0.0 1    0.000 180.0 2    0.200 0.0 3
torsion      5    1    2    4      0.000 0.0 1    0.000 180.0 2   -0.240 0.0 3
torsion      5    1    2    5      0.000 0.0 1    0.000 180.0 2    0.520 0.0 3
torsion      5    1    2    6      0.000 0.0 1    0.000 180.0 2    0.540 0.0 3
torsion      5    1    2   37      0.000 0.0 1    0.000 180.0 2   -0.240 0.0 3
torsion      6    1    2    1      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      6    1    2    2      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      6    1    2    5      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      8    1    2    1      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      8    1    2    2      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      8    1    2    5      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion     11    1    2    2      1.243 0.0 1    1.445 180.0 2   -1.243 0.0 3
torsion     11    1    2    5      0.848 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion     12    1    2    2      0.500 0.0 1    0.300 180.0 2   -0.500 0.0 3
torsion     12    1    2    5      1.500 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion     15    1    2    1      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion     15    1    2    2      0.000 0.0 1    0.000 180.0 2    0.100 0.0 3
torsion     15    1    2    5      0.000 0.0 1    0.000 180.0 2    0.100 0.0 3
torsion     16    1    2    1      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion     16    1    2    2      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion     16    1    2    5      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion     19    1    2    2      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion     19    1    2    5      0.000 0.0 1    0.000 180.0 2    0.717 0.0 3
torsion     22    1    2    1      0.400 0.0 1    0.030 180.0 2    0.500 0.0 3
torsion     22    1    2    2     -0.440 0.0 1    0.240 180.0 2    0.060 0.0 3
torsion     22    1    2    5      0.000 0.0 1    0.000 180.0 2    0.010 0.0 3
torsion     36    1    2    2      0.000 0.0 1    0.000 180.0 2   -0.240 0.0 3
torsion     37    1    2    2     -0.440 0.0 1    0.000 180.0 2    0.100 0.0 3
torsion     37    1    2    5      0.000 0.0 1    0.000 180.0 2    0.500 0.0 3
torsion     39    1    2    2      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion     43    1    2    2     -0.440 0.0 1    0.000 180.0 2    0.100 0.0 3
torsion     43    1    2    5      0.000 0.0 1    0.000 180.0 2    0.500 0.0 3
torsion      1    1    3    1      1.200 0.0 1    0.200 180.0 2    0.150 0.0 3
torsion      1    1    3    2      0.000 0.0 1    0.000 180.0 2   -0.110 0.0 3
torsion      1    1    3    5      0.730 0.0 1    0.270 180.0 2    0.680 0.0 3
torsion      1    1    3    6      0.400 0.0 1   -0.300 180.0 2   -0.070 0.0 3
torsion      1    1    3    7     -0.130 0.0 1    0.904 180.0 2    0.050 0.0 3
torsion      1    1    3    9      0.000 0.0 1    0.000 180.0 2    0.400 0.0 3
torsion      1    1    3   72     -0.080 0.0 1    0.250 180.0 2   -0.700 0.0 3
torsion      2    1    3    1      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      2    1    3    5      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      2    1    3    6      0.000 0.0 1    0.000 180.0 2   -0.417 0.0 3
torsion      2    1    3    7      0.000 0.0 1    0.000 180.0 2   -0.350 0.0 3
torsion      2    1    3    9      3.410 0.0 1    0.663 180.0 2   -0.150 0.0 3
torsion      3    1    3    1      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      3    1    3    5      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      3    1    3    7      0.000 0.0 1    0.000 180.0 2   -0.350 0.0 3
torsion      3    1    3    9      3.299 0.0 1   -1.450 180.0 2   -2.300 0.0 3
torsion      5    1    3    1      0.000 0.0 1    0.000 180.0 2    0.130 0.0 3
torsion      5    1    3    2      0.000 0.0 1    0.000 180.0 2   -0.244 0.0 3
torsion      5    1    3    3      0.000 0.0 1    0.000 180.0 2    0.500 0.0 3
torsion      5    1    3    5      0.180 0.0 1    0.000 180.0 2    0.275 0.0 3
torsion      5    1    3    6      0.000 0.0 1    0.000 180.0 2   -0.016 0.0 3
torsion      5    1    3    7     -0.167 0.0 1    0.000 180.0 2   -0.100 0.0 3
torsion      5    1    3    9      0.000 0.0 1    0.000 180.0 2    0.400 0.0 3
torsion      5    1    3   72      0.000 0.0 1    0.000 180.0 2    0.002 0.0 3
torsion      6    1    3    1      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      6    1    3    5      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      6    1    3    6      3.550 0.0 1   -0.020 180.0 2    2.090 0.0 3
torsion      6    1    3    7     -0.420 0.0 1    2.330 180.0 2    0.640 0.0 3
torsion      8    1    3    1      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      8    1    3    5      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      8    1    3    7      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      8    1    3    9      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      9    1    3    6      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      9    1    3    7      1.400 0.0 1    1.000 180.0 2    0.000 0.0 3
torsion      9    1    3    9     -1.300 0.0 1    1.000 180.0 2    0.000 0.0 3
torsion     11    1    3    1      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion     11    1    3    7      0.000 0.0 1    4.000 180.0 2    0.000 0.0 3
torsion     12    1    3    1      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion     12    1    3    7      0.000 0.0 1    2.600 180.0 2    0.000 0.0 3
torsion     13    1    3    1      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion     13    1    3    7      0.000 0.0 1    0.780 180.0 2    0.000 0.0 3
torsion     14    1    3    1      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion     14    1    3    7      0.000 0.0 1    0.000 180.0 2   -0.017 0.0 3
torsion     15    1    3    1      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion     15    1    3    5      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion     15    1    3    7      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion     16    1    3    1      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion     16    1    3    5      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion     16    1    3    7      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion     36    1    3    1      0.000 0.0 1    0.000 180.0 2    0.130 0.0 3
torsion     36    1    3    3      0.000 0.0 1    0.000 180.0 2    0.500 0.0 3
torsion     36    1    3    7     -0.167 0.0 1    0.000 180.0 2   -0.100 0.0 3
torsion      1    1    4    4      0.000 0.0 1    0.001 180.0 2    0.000 0.0 3
torsion      5    1    4    4      0.000 0.0 1    0.001 180.0 2    0.000 0.0 3
torsion      1    1    6    1      0.400 0.0 1    0.520 180.0 2    0.467 0.0 3
torsion      1    1    6    2      0.000 0.0 1    0.000 180.0 2    0.400 0.0 3
torsion      1    1    6    3     -2.030 0.0 1    1.210 180.0 2   -0.670 0.0 3
torsion      1    1    6    6      0.000 0.0 1    0.000 180.0 2    0.400 0.0 3
torsion      1    1    6   19      0.000 0.0 1    0.000 180.0 2    0.400 0.0 3
torsion      1    1    6   20      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      1    1    6   21      0.800 0.0 1    0.000 180.0 2    0.090 0.0 3
torsion      1    1    6   25     -0.200 0.0 1    4.600 180.0 2    0.450 0.0 3
torsion      2    1    6    1      0.000 0.0 1    0.000 180.0 2    0.403 0.0 3
torsion      2    1    6   20      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      2    1    6   21      0.000 0.0 1    0.000 180.0 2    0.090 0.0 3
torsion      3    1    6    1      0.000 0.0 1    0.000 180.0 2    0.403 0.0 3
torsion      3    1    6   20      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      3    1    6   21      0.000 0.0 1    0.000 180.0 2    0.090 0.0 3
torsion      5    1    6    1      0.000 0.0 1    0.000 180.0 2    0.530 0.0 3
torsion      5    1    6    2      0.000 0.0 1    0.000 180.0 2    0.530 0.0 3
torsion      5    1    6    3      0.000 0.0 1    0.000 180.0 2   -0.132 0.0 3
torsion      5    1    6    6      0.000 0.0 1    0.000 180.0 2    0.465 0.0 3
torsion      5    1    6   19      0.000 0.0 1    0.000 180.0 2    0.400 0.0 3
torsion      5    1    6   20      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      5    1    6   21      0.000 0.0 1    0.000 180.0 2    0.200 0.0 3
torsion      5    1    6   25      0.000 0.0 1    0.000 180.0 2    0.530 0.0 3
torsion      6    1    6    1     -0.170 0.0 1   -1.200 180.0 2    0.000 0.0 3
torsion      6    1    6    6      0.000 0.0 1    0.000 180.0 2    0.403 0.0 3
torsion      6    1    6   20      0.000 0.0 1    0.500 180.0 2   -0.200 0.0 3
torsion      6    1    6   21      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion     12    1    6    1      0.500 0.0 1   -0.420 180.0 2    0.000 0.0 3
torsion     12    1    6   20      0.000 0.0 1    1.500 180.0 2    0.000 0.0 3
torsion     71    1    6   20      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion     71    1    6   21      0.000 0.0 1    0.000 180.0 2    0.090 0.0 3
torsion      1    1    8    1     -0.200 0.0 1    0.730 180.0 2    0.800 0.0 3
torsion      1    1    8    8     -0.200 0.0 1    0.730 180.0 2    0.800 0.0 3
torsion      1    1    8   20      0.200 0.0 1   -0.220 180.0 2    0.100 0.0 3
torsion      1    1    8   23      0.000 0.0 1    0.120 180.0 2    0.100 0.0 3
torsion      2    1    8    1      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      2    1    8    8      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      2    1    8   20      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      2    1    8   23      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      3    1    8    1      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      3    1    8   20      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      3    1    8   23      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      5    1    8    1      0.000 0.0 1    0.000 180.0 2    0.520 0.0 3
torsion      5    1    8    2      0.000 0.0 1    0.000 180.0 2    0.450 0.0 3
torsion      5    1    8    8      0.000 0.0 1    0.000 180.0 2    0.520 0.0 3
torsion      5    1    8   20      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      5    1    8   23      0.000 0.0 1    0.000 180.0 2    0.250 0.0 3
torsion      8    1    8    1      0.000 0.0 1    0.000 180.0 2    0.350 0.0 3
torsion      8    1    8    8      0.000 0.0 1    0.000 180.0 2    0.350 0.0 3
torsion      8    1    8   20      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      8    1    8   23      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion     39    1    8    1      0.000 0.0 1    0.000 180.0 2    0.350 0.0 3
torsion     39    1    8   20      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      1    1    9    1      0.000 0.0 1    0.000 180.0 2    0.910 0.0 3
torsion      1    1    9    2      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      1    1    9    3      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      1    1    9   28      0.000 0.0 1    0.000 180.0 2    0.910 0.0 3
torsion      3    1    9    1      0.000 0.0 1    0.000 180.0 2    0.457 0.0 3
torsion      3    1    9    3     -0.200 0.0 1   -1.500 180.0 2    0.200 0.0 3
torsion      3    1    9   28      0.000 0.0 1    0.000 180.0 2    0.001 0.0 3
torsion      5    1    9    1      0.000 0.0 1    0.000 180.0 2   -0.200 0.0 3
torsion      5    1    9    2      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      5    1    9    2      0.000 0.0 1    0.000 180.0 2    0.650 0.0 3
torsion      5    1    9    3      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      5    1    9   18      0.000 0.0 1    0.000 180.0 2    0.125 0.0 3
torsion      5    1    9   28      0.000 0.0 1    0.000 180.0 2    0.160 0.0 3
torsion     15    1    9    1      1.200 0.0 1    0.300 180.0 2    1.634 0.0 3
torsion     15    1    9    3     -2.700 0.0 1   -3.400 180.0 2   -1.200 0.0 3
torsion     36    1    9    3      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion     36    1    9   28      0.000 0.0 1    0.000 180.0 2    0.160 0.0 3
torsion      1    1   15    1     -0.620 0.0 1    0.300 180.0 2    0.250 0.0 3
torsion      1    1   15    5      0.000 0.0 1   -0.350 180.0 2    0.367 0.0 3
torsion      1    1   15   15      0.000 0.0 1    0.000 180.0 2    0.267 0.0 3
torsion      2    1   15    1      0.000 0.0 1    0.000 180.0 2    0.483 0.0 3
torsion      2    1   15    5      0.000 0.0 1    0.000 180.0 2    0.267 0.0 3
torsion      2    1   15   15      0.000 0.0 1    0.000 180.0 2    0.483 0.0 3
torsion      3    1   15    1      0.000 0.0 1    0.000 180.0 2    0.483 0.0 3
torsion      3    1   15    5      0.000 0.0 1    0.000 180.0 2    0.267 0.0 3
torsion      5    1   15    1      0.000 0.0 1    0.000 180.0 2    0.540 0.0 3
torsion      5    1   15    5      0.000 0.0 1    0.000 180.0 2    0.320 0.0 3
torsion      5    1   15   15      0.000 0.0 1    0.000 180.0 2    0.267 0.0 3
torsion      9    1   15    1      0.734 0.0 1    0.153 180.0 2    0.601 0.0 3
torsion     15    1   15    1      0.000 0.0 1   -0.900 180.0 2    0.300 0.0 3
torsion     15    1   15   15      0.000 0.0 1    0.000 180.0 2    0.267 0.0 3
torsion     17    1   15    1      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      1    1   16    1      0.000 0.0 1    0.000 180.0 2    0.483 0.0 3
torsion      1    1   16    5      0.000 0.0 1    0.000 180.0 2    0.267 0.0 3
torsion      2    1   16    1      0.000 0.0 1    0.000 180.0 2    0.483 0.0 3
torsion      2    1   16    5      0.000 0.0 1    0.000 180.0 2    0.267 0.0 3
torsion      3    1   16    1      0.000 0.0 1    0.000 180.0 2    0.483 0.0 3
torsion      3    1   16    5      0.000 0.0 1    0.000 180.0 2    0.267 0.0 3
torsion      5    1   16    1      0.000 0.0 1    0.000 180.0 2    0.483 0.0 3
torsion      5    1   16    5      0.000 0.0 1    0.000 180.0 2    0.267 0.0 3
torsion      1    1   17    1      0.000 0.0 1    0.000 180.0 2    0.500 0.0 3
torsion      1    1   17    7     -0.235 0.0 1   -0.150 180.0 2    0.175 0.0 3
torsion      5    1   17    1      0.000 0.0 1    0.000 180.0 2    0.550 0.0 3
torsion      5    1   17    7      0.000 0.0 1    0.000 180.0 2    0.175 0.0 3
torsion     15    1   17    1      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion     15    1   17    7      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion     17    1   17    1      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion     17    1   17    7      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      1    1   18    1      0.000 0.0 1    0.000 180.0 2    0.500 0.0 3
torsion      1    1   18    7     -0.235 0.0 1   -0.150 180.0 2    0.175 0.0 3
torsion      5    1   18    1      0.000 0.0 1    0.000 180.0 2    0.550 0.0 3
torsion      5    1   18    7      0.000 0.0 1    0.000 180.0 2    0.175 0.0 3
torsion      5    1   18    9      0.000 0.0 1    0.000 180.0 2    0.125 0.0 3
torsion      1    1   19    1      0.000 0.0 1    0.300 180.0 2    0.167 0.0 3
torsion      1    1   19    2      0.000 0.0 1    0.000 180.0 2    0.167 0.0 3
torsion      1    1   19    5      0.000 0.0 1    0.000 180.0 2    0.272 0.0 3
torsion      1    1   19    6      0.000 0.0 1    0.000 180.0 2    0.167 0.0 3
torsion      1    1   19   19      0.000 0.0 1    0.000 180.0 2    0.300 0.0 3
torsion      2    1   19    1      0.000 0.0 1    0.000 180.0 2    0.167 0.0 3
torsion      2    1   19    2      0.000 0.0 1    0.000 180.0 2    0.400 0.0 3
torsion      2    1   19    5      0.000 0.0 1    0.000 180.0 2    0.167 0.0 3
torsion      5    1   19    1      0.000 0.0 1    0.000 180.0 2    0.200 0.0 3
torsion      5    1   19    2      0.000 0.0 1    0.000 180.0 2    0.117 0.0 3
torsion      5    1   19    5      0.000 0.0 1    0.000 180.0 2    0.176 0.0 3
torsion      5    1   19    6      0.000 0.0 1    0.000 180.0 2    0.210 0.0 3
torsion      5    1   19   19      0.000 0.0 1    0.000 180.0 2    0.270 0.0 3
torsion     19    1   19    1      0.000 0.0 1    0.000 180.0 2    0.167 0.0 3
torsion     19    1   19    5      0.000 0.0 1    0.000 180.0 2    0.167 0.0 3
torsion      1    1   22    1      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      1    1   22    5      0.000 0.0 1    0.000 180.0 2    0.267 0.0 3
torsion      1    1   22   22      0.300 0.0 1    0.000 180.0 2    0.450 0.0 3
torsion      1    1   22   49      0.000 0.0 1    0.000 180.0 2    0.530 0.0 3
torsion      2    1   22    5      0.000 0.0 1    0.000 180.0 2    0.267 0.0 3
torsion      2    1   22   22      0.300 0.0 1    0.000 180.0 2    0.450 0.0 3
torsion      5    1   22    1      0.000 0.0 1    0.000 180.0 2    0.690 0.0 3
torsion      5    1   22    5      0.000 0.0 1    0.000 180.0 2    0.690 0.0 3
torsion      5    1   22   22      0.000 0.0 1    0.000 180.0 2    0.120 0.0 3
torsion      5    1   22   49      0.000 0.0 1    0.000 180.0 2    0.530 0.0 3
torsion     22    1   22    1      0.200 0.0 1    0.270 180.0 2    0.093 0.0 3
torsion     22    1   22    5      0.000 0.0 1    0.000 180.0 2    0.120 0.0 3
torsion     22    1   22   22      0.000 0.0 1    0.000 180.0 2    0.300 0.0 3
torsion     37    1   22    5      0.000 0.0 1    0.000 180.0 2    0.530 0.0 3
torsion     37    1   22   22      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion     43    1   22    5      0.000 0.0 1    0.000 180.0 2    0.530 0.0 3
torsion     43    1   22   22      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      1    1   25    1     -0.150 0.0 1    0.000 180.0 2    0.500 0.0 3
torsion      1    1   25    2     -0.050 0.0 1   -0.100 180.0 2    0.300 0.0 3
torsion      1    1   25    5     -0.530 0.0 1   -0.400 180.0 2    0.600 0.0 3
torsion      5    1   25    1      0.050 0.0 1    0.000 180.0 2    0.420 0.0 3
torsion      5    1   25    2      0.050 0.0 1    0.000 180.0 2    0.200 0.0 3
torsion      5    1   25    5      0.000 0.0 1    0.000 180.0 2    0.428 0.0 3
torsion      1    1   29    1      0.400 0.0 1    0.030 180.0 2    0.500 0.0 3
torsion      1    1   29    5      0.000 0.0 1    0.200 180.0 2    0.200 0.0 3
torsion      5    1   29    1      0.000 0.0 1    0.000 180.0 2    0.340 0.0 3
torsion      5    1   29    5      0.000 0.0 1    0.000 180.0 2    0.250 0.0 3
torsion      1    1   31    1      0.000 0.0 1    0.000 180.0 2    0.152 0.0 3
torsion      1    1   31    5      0.000 0.0 1    0.000 180.0 2    0.152 0.0 3
torsion      5    1   31    1      0.000 0.0 1    0.000 180.0 2    0.127 0.0 3
torsion      5    1   31    5      0.000 0.0 1    0.000 180.0 2    0.132 0.0 3
torsion      1    1   32    1      0.000 0.0 1   -0.050 180.0 2    0.160 0.0 3
torsion      1    1   32    5      0.000 0.0 1    0.000 180.0 2    0.070 0.0 3
torsion      5    1   32    1      0.000 0.0 1    0.000 180.0 2    0.089 0.0 3
torsion      5    1   32    5      0.000 0.0 1    0.000 180.0 2    0.071 0.0 3
torsion      1    1   33    1      0.000 0.0 1    0.000 180.0 2    0.021 0.0 3
torsion      1    1   33    5      0.000 0.0 1    0.000 180.0 2    0.021 0.0 3
torsion      5    1   33    1      0.000 0.0 1    0.000 180.0 2    0.021 0.0 3
torsion      5    1   33    5      0.000 0.0 1    0.000 180.0 2    0.021 0.0 3
torsion      5    1   33   33      0.000 0.0 1    0.000 180.0 2    0.021 0.0 3
torsion      1    1   34    1     -0.620 0.0 1    0.300 180.0 2    0.350 0.0 3
torsion      1    1   34    5      0.000 0.0 1   -0.200 180.0 2    0.300 0.0 3
torsion      5    1   34    1      0.000 0.0 1    0.000 180.0 2    0.360 0.0 3
torsion      5    1   34    5      0.000 0.0 1    0.000 180.0 2    0.270 0.0 3
torsion      1    1   35    1     -0.440 0.0 1   -0.330 180.0 2    0.600 0.0 3
torsion      1    1   35    5      0.000 0.0 1   -0.200 180.0 2    0.300 0.0 3
torsion      5    1   35    1      0.000 0.0 1    0.000 180.0 2    0.360 0.0 3
torsion      5    1   35    5      0.000 0.0 1    0.000 180.0 2    0.270 0.0 3
torsion      1    1   37   20      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      1    1   37   37      0.340 0.0 1    0.000 180.0 2   -0.900 0.0 3
torsion      1    1   37   43      0.340 0.0 1    0.000 180.0 2   -0.600 0.0 3
torsion      2    1   37   20      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      2    1   37   43     -0.440 0.0 1    0.000 180.0 2    0.100 0.0 3
torsion      5    1   37    2      0.000 0.0 1    0.000 180.0 2   -0.240 0.0 3
torsion      5    1   37   20      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      5    1   37   37      0.000 0.0 1    0.000 180.0 2   -0.316 0.0 3
torsion      5    1   37   43      0.000 0.0 1    0.000 180.0 2   -0.316 0.0 3
torsion     22    1   37   20      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion     22    1   37   43      0.000 0.0 1    0.000 180.0 2    0.100 0.0 3
torsion      5    1   38   22      0.000 0.0 1    0.000 180.0 2    0.540 0.0 3
torsion      1    1   39    1     -0.200 0.0 1    0.730 180.0 2    0.800 0.0 3
torsion      1    1   39   48      0.000 0.0 1    0.120 180.0 2    0.100 0.0 3
torsion      2    1   39    1      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      2    1   39   48      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      5    1   39    1      0.000 0.0 1    0.000 180.0 2    0.520 0.0 3
torsion      5    1   39   48      0.000 0.0 1    0.000 180.0 2    0.250 0.0 3
torsion      8    1   39    1      0.000 0.0 1    0.000 180.0 2    0.350 0.0 3
torsion      1    1   41    2      0.000 0.0 1    0.000 180.0 2    0.400 0.0 3
torsion      1    1   41   20      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      5    1   41    2      0.000 0.0 1    0.000 180.0 2    0.350 0.0 3
torsion      5    1   41   20      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      1    1   43    7      0.000 0.0 1    0.000 180.0 2   -0.600 0.0 3
torsion      1    1   43   37      0.000 0.0 1    0.000 180.0 2   -1.200 0.0 3
torsion      2    1   43    7      0.000 0.0 1    0.000 180.0 2   -0.600 0.0 3
torsion      2    1   43   37     -0.440 0.0 1    0.000 180.0 2    0.100 0.0 3
torsion      5    1   43    7      0.000 0.0 1    0.000 180.0 2   -0.316 0.0 3
torsion      5    1   43   37      0.000 0.0 1    0.000 180.0 2   -0.316 0.0 3
torsion     22    1   43    7      0.000 0.0 1    0.000 180.0 2   -1.750 0.0 3
torsion     22    1   43   37      0.000 0.0 1    0.000 180.0 2    0.700 0.0 3
torsion      1    1   46    7      0.000 0.0 1    0.410 180.0 2    0.000 0.0 3
torsion      5    1   46    7      0.000 0.0 1    0.000 180.0 2    0.060 0.0 3
torsion      1    1   50   50     -0.440 0.0 1    0.240 180.0 2    0.060 0.0 3
torsion      5    1   50   50      0.000 0.0 1    0.000 180.0 2   -0.240 0.0 3
torsion     50    1   50   50      0.100 0.0 1    0.000 180.0 2    0.500 0.0 3
torsion      1    1   70   71     -1.340 0.0 1    1.020 180.0 2   -0.900 0.0 3
torsion      5    1   70   71      0.000 0.0 1    0.000 180.0 2   -0.620 0.0 3
torsion      1    1   71    1      1.200 0.0 1    0.200 180.0 2    0.150 0.0 3
torsion      1    1   71    5      0.730 0.0 1    0.270 180.0 2    0.680 0.0 3
torsion      1    1   71   70     -0.250 0.0 1    0.200 180.0 2    0.000 0.0 3
torsion      5    1   71    1      0.000 0.0 1    0.000 180.0 2    0.130 0.0 3
torsion      5    1   71    5      0.180 0.0 1    0.000 180.0 2    0.275 0.0 3
torsion      5    1   71   70      0.000 0.0 1    0.000 180.0 2   -0.270 0.0 3
torsion      6    1   71    1      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      6    1   71    5      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      6    1   71   70     -3.870 0.0 1    5.700 180.0 2    0.000 0.0 3
torsion      5    1   72    3      0.000 0.0 1    0.000 180.0 2   -1.000 0.0 3
torsion      5    1   72   20      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      1    2    2    1     -0.100 0.0 1   10.000 180.0 2    0.000 0.0 3
torsion      1    2    2    2     -0.270 0.0 1   10.000 180.0 2    0.000 0.0 3
torsion      1    2    2    3      0.000 0.0 1   15.000 180.0 2    0.000 0.0 3
torsion      1    2    2    5      0.000 0.0 1   12.500 180.0 2    0.000 0.0 3
torsion      1    2    2    6     -1.200 0.0 1   16.250 180.0 2    0.000 0.0 3
torsion      1    2    2   12      0.320 0.0 1   15.500 180.0 2    0.000 0.0 3
torsion      1    2    2   14     -1.320 0.0 1   15.500 180.0 2    0.000 0.0 3
torsion      1    2    2   19      0.000 0.0 1   15.000 180.0 2    0.000 0.0 3
torsion      1    2    2   37      0.000 0.0 1   15.000 180.0 2    0.000 0.0 3
torsion      2    2    2    2     -0.930 0.0 1    8.000 180.0 2    0.000 0.0 3
torsion      2    2    2    3      0.000 0.0 1   15.000 180.0 2    0.000 0.0 3
torsion      2    2    2    4      0.000 0.0 1   15.000 180.0 2    0.000 0.0 3
torsion      2    2    2    5      0.000 0.0 1    9.000 180.0 2   -1.060 0.0 3
torsion      2    2    2    6      0.000 0.0 1   16.250 180.0 2    0.000 0.0 3
torsion      2    2    2    8      0.000 0.0 1   15.000 180.0 2    0.000 0.0 3
torsion      2    2    2    9      0.000 0.0 1   12.000 180.0 2    0.000 0.0 3
torsion      2    2    2   11      0.000 0.0 1   15.000 180.0 2    0.000 0.0 3
torsion      2    2    2   12      0.000 0.0 1   15.000 180.0 2    0.000 0.0 3
torsion      2    2    2   13      0.000 0.0 1   15.000 180.0 2    0.000 0.0 3
torsion      2    2    2   14      0.000 0.0 1   15.000 180.0 2    0.000 0.0 3
torsion      2    2    2   19      0.000 0.0 1   15.000 180.0 2    0.000 0.0 3
torsion      2    2    2   22     -0.270 0.0 1   15.000 180.0 2    0.000 0.0 3
torsion      2    2    2   25      0.000 0.0 1   16.250 180.0 2    0.000 0.0 3
torsion      2    2    2   37      1.000 0.0 1   15.000 180.0 2    0.000 0.0 3
torsion      2    2    2   40      0.000 0.0 1   15.000 180.0 2    0.000 0.0 3
torsion      2    2    2   41      0.000 0.0 1   15.000 180.0 2    0.000 0.0 3
torsion      2    2    2   42      0.000 0.0 1   15.000 180.0 2    2.600 0.0 3
torsion      2    2    2   46      0.000 0.0 1    8.000 180.0 2    0.000 0.0 3
torsion      3    2    2    3      0.000 0.0 1    8.700 180.0 2    0.000 0.0 3
torsion      3    2    2    5      0.000 0.0 1   15.000 180.0 2    0.000 0.0 3
torsion      3    2    2   14     -0.500 0.0 1   15.500 180.0 2    0.000 0.0 3
torsion      4    2    2    5      0.000 0.0 1   15.000 180.0 2    0.000 0.0 3
torsion      5    2    2    5      0.000 0.0 1   15.000 180.0 2    0.000 0.0 3
torsion      5    2    2    6      0.000 0.0 1   16.250 180.0 2    0.000 0.0 3
torsion      5    2    2    8      0.000 0.0 1   15.000 180.0 2    0.000 0.0 3
torsion      5    2    2    9      0.000 0.0 1   12.000 180.0 2    0.000 0.0 3
torsion      5    2    2   11      0.000 0.0 1   15.000 180.0 2    0.000 0.0 3
torsion      5    2    2   12      0.000 0.0 1   15.000 180.0 2    0.000 0.0 3
torsion      5    2    2   13      0.000 0.0 1   15.000 180.0 2    0.000 0.0 3
torsion      5    2    2   14     -1.000 0.0 1   15.000 180.0 2    0.000 0.0 3
torsion      5    2    2   19      0.000 0.0 1   15.000 180.0 2    0.000 0.0 3
torsion      5    2    2   22      0.000 0.0 1   15.000 180.0 2    0.000 0.0 3
torsion      5    2    2   25      0.000 0.0 1   16.250 180.0 2    0.000 0.0 3
torsion      5    2    2   37      0.000 0.0 1   15.000 180.0 2    0.000 0.0 3
torsion      5    2    2   40      0.000 0.0 1   15.000 180.0 2   -1.060 0.0 3
torsion      5    2    2   41      0.000 0.0 1   15.000 180.0 2    0.000 0.0 3
torsion      5    2    2   42      0.000 0.0 1   15.000 180.0 2    0.000 0.0 3
torsion      5    2    2   46      0.000 0.0 1    8.500 180.0 2    0.000 0.0 3
torsion      5    2    2   72      0.000 0.0 1   15.000 180.0 2    0.000 0.0 3
torsion      6    2    2    6     -2.000 0.0 1   16.250 180.0 2    0.000 0.0 3
torsion      6    2    2   12     -0.500 0.0 1   15.500 180.0 2    0.000 0.0 3
torsion      6    2    2   13      0.000 0.0 1   15.500 180.0 2    0.000 0.0 3
torsion      6    2    2   14      0.000 0.0 1    5.250 180.0 2    0.000 0.0 3
torsion     11    2    2   11     -2.060 0.0 1   15.500 180.0 2    0.000 0.0 3
torsion     12    2    2   12     -1.600 0.0 1   15.500 180.0 2    0.000 0.0 3
torsion     13    2    2   13     -0.800 0.0 1   15.500 180.0 2    0.000 0.0 3
torsion     14    2    2   14     -3.840 0.0 1   15.500 180.0 2    0.000 0.0 3
torsion     14    2    2   41     -1.000 0.0 1   15.500 180.0 2    0.000 0.0 3
torsion     19    2    2   19      0.000 0.0 1   15.000 180.0 2    0.000 0.0 3
torsion     37    2    2   37      0.000 0.0 1   10.000 180.0 2    0.000 0.0 3
torsion     37    2    2   40      0.000 0.0 1   15.000 180.0 2    0.000 0.0 3
torsion     40    2    2   40      0.000 0.0 1   15.000 180.0 2    0.000 0.0 3
torsion     41    2    2   41     -2.000 0.0 1   15.000 180.0 2    0.000 0.0 3
torsion     42    2    2   42      3.000 0.0 1   15.000 180.0 2    0.500 0.0 3
torsion      1    2    3    1      2.600 0.0 1   15.000 180.0 2    0.000 0.0 3
torsion      1    2    3    2      0.000 0.0 1   11.100 180.0 2    0.000 0.0 3
torsion      1    2    3    5      3.300 0.0 1   15.000 180.0 2    0.000 0.0 3
torsion      1    2    3    7      2.750 0.0 1   15.000 180.0 2    0.000 0.0 3
torsion      2    2    3    1     -2.300 0.0 1   11.100 180.0 2    0.000 0.0 3
torsion      2    2    3    2      0.500 0.0 1   11.100 180.0 2    0.000 0.0 3
torsion      2    2    3    3     -0.900 0.0 1   15.500 180.0 2    0.000 0.0 3
torsion      2    2    3    5      0.500 0.0 1   11.100 180.0 2    0.000 0.0 3
torsion      2    2    3    6      0.000 0.0 1   16.250 180.0 2    0.000 0.0 3
torsion      2    2    3    7      1.530 0.0 1    6.500 180.0 2    0.830 0.0 3
torsion      2    2    3    9      0.000 0.0 1    1.500 180.0 2    0.000 0.0 3
torsion      2    2    3   72      1.550 0.0 1    0.510 180.0 2    1.060 0.0 3
torsion      5    2    3    1      0.000 0.0 1   11.100 180.0 2    0.000 0.0 3
torsion      5    2    3    2      0.400 0.0 1   11.100 180.0 2    0.000 0.0 3
torsion      5    2    3    3      0.000 0.0 1    9.800 180.0 2    0.000 0.0 3
torsion      5    2    3    5      2.800 0.0 1   13.000 180.0 2    0.000 0.0 3
torsion      5    2    3    7      3.000 0.0 1   11.100 180.0 2    0.000 0.0 3
torsion      5    2    3   72      0.000 0.0 1   15.000 180.0 2    0.000 0.0 3
torsion      2    2    4    4      0.000 0.0 1    0.001 180.0 2    0.000 0.0 3
torsion      1    2    6    1      2.300 0.0 1    4.000 180.0 2    0.000 0.0 3
torsion      1    2    6    2      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      1    2    6   20      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      2    2    6    1      3.530 0.0 1    2.300 180.0 2   -3.530 0.0 3
torsion      2    2    6    2      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      2    2    6    3      0.000 0.0 1    2.300 180.0 2    0.000 0.0 3
torsion      2    2    6   20      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      2    2    6   25      0.100 0.0 1    4.600 180.0 2    0.000 0.0 3
torsion      2    2    6   28      2.000 0.0 1    1.700 180.0 2   -2.000 0.0 3
torsion      5    2    6    1      3.000 0.0 1    3.100 180.0 2    0.000 0.0 3
torsion      5    2    6    2      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      5    2    6   20      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      5    2    6   25     -0.100 0.0 1    2.000 180.0 2    0.000 0.0 3
torsion      5    2    6   28      2.940 0.0 1    1.500 180.0 2   -1.100 0.0 3
torsion      2    2    8    1     -1.570 0.0 1    3.200 180.0 2    0.000 0.0 3
torsion      2    2    8   20      0.000 0.0 1    0.000 180.0 2    0.010 0.0 3
torsion      2    2    8   23      0.000 0.0 1    2.000 180.0 2    0.000 0.0 3
torsion      5    2    8    1      1.570 0.0 1    1.690 180.0 2    0.000 0.0 3
torsion      5    2    8   20      0.000 0.0 1    0.000 180.0 2    0.010 0.0 3
torsion      5    2    8   23      0.000 0.0 1    1.690 180.0 2    0.000 0.0 3
torsion      2    2    9    1      0.000 0.0 1    2.000 180.0 2    0.000 0.0 3
torsion      2    2    9    2      0.000 0.0 1    0.000 180.0 2    1.490 0.0 3
torsion      2    2    9    3      0.000 0.0 1    2.000 180.0 2    0.000 0.0 3
torsion      2    2    9   28      0.000 0.0 1    2.000 180.0 2    0.000 0.0 3
torsion      5    2    9    3      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      5    2    9   28      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      9    2    9    1      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      9    2    9   28      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      1    2   19    1      0.000 0.0 1    0.000 180.0 2    0.350 0.0 3
torsion      2    2   19    1     -0.440 0.0 1   -0.240 180.0 2    0.060 0.0 3
torsion      2    2   19    2      0.000 0.0 1    0.000 180.0 2    0.400 0.0 3
torsion      2    2   19    5      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      2    2   19   19     -0.440 0.0 1   -0.240 180.0 2    0.060 0.0 3
torsion      5    2   19    1      0.000 0.0 1    0.000 180.0 2    0.717 0.0 3
torsion      5    2   19    2      0.000 0.0 1    0.000 180.0 2    0.600 0.0 3
torsion      5    2   19    5      0.000 0.0 1    0.000 180.0 2    0.520 0.0 3
torsion      2    2   22    2      0.100 0.0 1    0.000 180.0 2    0.500 0.0 3
torsion      2    2   22    5     -0.300 0.0 1    1.600 180.0 2   -0.500 0.0 3
torsion      2    2   22   22     -0.440 0.0 1    0.240 180.0 2    0.060 0.0 3
torsion      2    2   22   49      0.001 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      5    2   22    2      0.000 0.0 1    0.000 180.0 2    0.600 0.0 3
torsion      5    2   22    5      0.000 0.0 1    0.000 180.0 2    0.520 0.0 3
torsion      5    2   22   22      0.000 0.0 1    0.000 180.0 2    0.010 0.0 3
torsion      2    2   25    1      0.000 0.0 1    0.000 180.0 2    0.400 0.0 3
torsion      2    2   25    2      0.000 0.0 1    0.000 180.0 2    0.330 0.0 3
torsion      1    2   37    2      0.000 0.0 1   10.000 180.0 2    0.000 0.0 3
torsion      1    2   37   20      0.000 0.0 1   10.000 180.0 2    0.000 0.0 3
torsion      1    2   37   23      0.000 0.0 1   10.000 180.0 2    0.000 0.0 3
torsion      2    2   37    2      0.000 0.0 1   10.000 180.0 2    0.000 0.0 3
torsion      2    2   37   20      0.000 0.0 1   10.000 180.0 2    0.000 0.0 3
torsion      2    2   37   23      0.750 0.0 1   10.000 180.0 2    0.000 0.0 3
torsion      2    2   37   37      0.000 0.0 1   10.000 180.0 2    0.000 0.0 3
torsion      2    2   37   40      0.000 0.0 1   10.000 180.0 2    0.000 0.0 3
torsion      5    2   37    1      0.000 0.0 1   10.000 180.0 2    0.000 0.0 3
torsion      5    2   37    2      0.000 0.0 1   10.000 180.0 2    0.000 0.0 3
torsion      5    2   37   20      0.000 0.0 1   10.000 180.0 2    0.000 0.0 3
torsion      5    2   37   23      0.000 0.0 1   10.000 180.0 2    0.000 0.0 3
torsion      5    2   37   37      0.000 0.0 1   10.000 180.0 2    0.000 0.0 3
torsion      5    2   37   40      0.000 0.0 1   10.000 180.0 2    0.000 0.0 3
torsion     37    2   37    2      0.000 0.0 1   10.000 180.0 2    0.000 0.0 3
torsion     37    2   37   20      0.000 0.0 1   10.000 180.0 2    0.000 0.0 3
torsion     37    2   37   37      0.000 0.0 1   10.000 180.0 2    0.000 0.0 3
torsion     37    2   37   40      0.000 0.0 1   10.000 180.0 2    0.000 0.0 3
torsion     40    2   37    2      0.000 0.0 1   10.000 180.0 2    0.000 0.0 3
torsion     40    2   37   20      0.000 0.0 1   10.000 180.0 2    0.000 0.0 3
torsion      5    2   38   22      0.000 0.0 1   15.000 180.0 2    0.000 0.0 3
torsion      2    2   40    2      0.000 0.0 1   15.000 180.0 2    0.000 0.0 3
torsion      2    2   40   23      0.000 0.0 1   15.000 180.0 2    0.000 0.0 3
torsion      2    2   40   37      0.000 0.0 1   15.000 180.0 2    0.000 0.0 3
torsion      5    2   40    2      0.000 0.0 1   15.000 180.0 2    0.000 0.0 3
torsion      5    2   40   23      0.000 0.0 1   15.000 180.0 2    0.000 0.0 3
torsion      5    2   40   37      0.000 0.0 1   15.000 180.0 2    0.000 0.0 3
torsion     37    2   40    2      0.000 0.0 1   15.000 180.0 2    0.000 0.0 3
torsion     37    2   40   23      0.000 0.0 1   15.000 180.0 2    0.000 0.0 3
torsion     37    2   40   37      0.000 0.0 1   15.000 180.0 2    0.000 0.0 3
torsion      2    2   41    1      0.000 0.0 1    9.200 180.0 2    0.000 0.0 3
torsion      2    2   41    2      0.000 0.0 1    8.300 180.0 2   -0.800 0.0 3
torsion      2    2   41   20      0.000 0.0 1    0.000 180.0 2    0.250 0.0 3
torsion      2    2   41   28      1.000 0.0 1    7.000 180.0 2    0.000 0.0 3
torsion      5    2   41    1     -0.820 0.0 1    9.200 180.0 2    3.700 0.0 3
torsion      5    2   41    2     -0.460 0.0 1    2.700 180.0 2    0.700 0.0 3
torsion      5    2   41   20      0.000 0.0 1    7.500 180.0 2    0.000 0.0 3
torsion      5    2   41   28      1.250 0.0 1    0.000 180.0 2    0.500 0.0 3
torsion     12    2   41    2      0.000 0.0 1   15.500 180.0 2    0.000 0.0 3
torsion     12    2   41   20      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion     13    2   41    2      0.000 0.0 1   15.500 180.0 2    0.000 0.0 3
torsion     13    2   41   20      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion     14    2   41    2      0.000 0.0 1   15.500 180.0 2    0.000 0.0 3
torsion     14    2   41   20      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      2    2   42    2      0.000 0.0 1    1.700 180.0 2    0.400 0.0 3
torsion      5    2   42    2      0.000 0.0 1    1.700 180.0 2    0.000 0.0 3
torsion      2    2   46    7      0.000 0.0 1    1.500 180.0 2    0.000 0.0 3
torsion      5    2   46    7      0.000 0.0 1    1.300 180.0 2    0.000 0.0 3
torsion      2    2   72    3      1.581 0.0 1    3.430 180.0 2    3.010 0.0 3
torsion      2    2   72   20      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      5    2   72    3      0.000 0.0 1   10.000 180.0 2    0.000 0.0 3
torsion      5    2   72   20      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      1    3    3    1      1.000 0.0 1    6.500 180.0 2    0.000 0.0 3
torsion      1    3    3    5      0.000 0.0 1    5.200 180.0 2    0.000 0.0 3
torsion      1    3    3    7     -1.000 0.0 1    6.500 180.0 2    0.000 0.0 3
torsion      2    3    3    2      1.000 0.0 1   12.500 180.0 2    0.000 0.0 3
torsion      2    3    3    5      0.000 0.0 1    5.000 180.0 2    0.000 0.0 3
torsion      2    3    3    7     -0.700 0.0 1   12.500 180.0 2    0.000 0.0 3
torsion      5    3    3    5      0.000 0.0 1   10.000 180.0 2    0.000 0.0 3
torsion      5    3    3    7     -0.120 0.0 1   10.000 180.0 2    0.000 0.0 3
torsion      5    3    3   36      0.000 0.0 1   10.000 180.0 2    0.000 0.0 3
torsion      7    3    3    7      0.000 0.0 1   10.000 180.0 2    0.000 0.0 3
torsion      7    3    3   36     -0.120 0.0 1   10.000 180.0 2    0.000 0.0 3
torsion     36    3    3   36      0.000 0.0 1   10.000 180.0 2    0.000 0.0 3
torsion      1    3    6    1     -2.500 0.0 1    1.390 180.0 2    0.000 0.0 3
torsion      1    3    6   20      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      1    3    6   24      0.000 0.0 1    0.500 180.0 2    0.000 0.0 3
torsion      2    3    6    1      3.530 0.0 1    2.300 180.0 2   -3.530 0.0 3
torsion      5    3    6    1      0.000 0.0 1    0.880 180.0 2    0.000 0.0 3
torsion      5    3    6   20      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      5    3    6   24     -0.770 0.0 1    0.850 180.0 2    0.000 0.0 3
torsion      7    3    6    1     -1.660 0.0 1    8.980 180.0 2    0.000 0.0 3
torsion      7    3    6   20      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      7    3    6   24     -3.285 0.0 1    5.600 180.0 2    0.000 0.0 3
torsion      1    3    9    1      1.100 0.0 1    5.000 180.0 2    0.000 0.0 3
torsion      1    3    9    2     -4.000 0.0 1    2.700 180.0 2    0.500 0.0 3
torsion      1    3    9    3     -0.900 0.0 1    1.600 180.0 2    0.000 0.0 3
torsion      1    3    9   28      0.000 0.0 1    5.000 180.0 2    0.000 0.0 3
torsion      2    3    9    1      0.000 0.0 1    5.000 180.0 2    0.000 0.0 3
torsion      5    3    9    1      0.000 0.0 1    5.000 180.0 2    0.000 0.0 3
torsion      5    3    9    3      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      5    3    9   28      0.000 0.0 1    5.000 180.0 2    0.000 0.0 3
torsion      7    3    9    1      0.000 0.0 1    5.000 180.0 2    0.000 0.0 3
torsion      7    3    9    2     -0.600 0.0 1    4.200 180.0 2    0.000 0.0 3
torsion      7    3    9    2     -3.100 0.0 1    2.900 180.0 2    0.000 0.0 3
torsion      7    3    9    3      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      7    3    9    3      0.600 0.0 1    1.300 180.0 2    0.000 0.0 3
torsion      7    3    9   28      1.100 0.0 1    5.000 180.0 2    0.000 0.0 3
torsion      9    3    9    1      0.000 0.0 1    0.000 180.0 2    0.010 0.0 3
torsion      9    3    9    2      2.400 0.0 1    2.500 180.0 2    0.000 0.0 3
torsion      9    3    9    3      0.800 0.0 1    1.300 180.0 2    0.000 0.0 3
torsion      9    3    9   28      0.000 0.0 1    1.000 180.0 2    0.000 0.0 3
torsion      7    3   22    5     -0.167 0.0 1    0.000 180.0 2   -0.100 0.0 3
torsion      7    3   22   22     -0.300 0.0 1    1.200 180.0 2   -0.350 0.0 3
torsion     22    3   22    5      0.000 0.0 1    0.000 180.0 2    0.130 0.0 3
torsion      1    3   72    1     -1.900 0.0 1   17.800 180.0 2    0.000 0.0 3
torsion      1    3   72   20      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      1    3   72   23     -0.950 0.0 1   17.950 180.0 2    1.110 0.0 3
torsion      2    3   72    1     -1.090 0.0 1   17.950 180.0 2    0.000 0.0 3
torsion      2    3   72    2      1.150 0.0 1   15.250 180.0 2    0.000 0.0 3
torsion      2    3   72   20      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      5    3   72    1      0.000 0.0 1   16.900 180.0 2    1.600 0.0 3
torsion      5    3   72    2      0.000 0.0 1   14.150 180.0 2   -0.990 0.0 3
torsion      5    3   72    5      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      5    3   72    5      0.000 0.0 1   16.000 180.0 2    1.600 0.0 3
torsion      5    3   72   20      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      5    3   72   23      0.000 0.0 1   16.800 180.0 2    0.000 0.0 3
torsion      1    4    4    2      0.000 0.0 1    0.001 180.0 2    0.000 0.0 3
torsion      1    4    4    4      0.000 0.0 1    0.001 180.0 2    0.000 0.0 3
torsion      2    4    4    2      0.000 0.0 1    0.001 180.0 2    0.000 0.0 3
torsion      2    4    4    4      0.000 0.0 1    0.001 180.0 2    0.000 0.0 3
torsion      2    4    4    5      0.000 0.0 1    0.001 180.0 2    0.000 0.0 3
torsion      4    4    4    4      0.000 0.0 1    0.001 180.0 2    0.000 0.0 3
torsion      1    6    6    1      2.095 0.0 1   -2.155 180.0 2   -0.113 0.0 3
torsion      1    6    6   20      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      1    6    6   21      2.865 0.0 1   -2.305 180.0 2    0.505 0.0 3
torsion     20    6    6   20      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion     20    6    6   21      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion     21    6    6   21      0.753 0.0 1   -1.202 180.0 2   -0.250 0.0 3
torsion      1    6   19    1      0.000 0.0 1    0.000 180.0 2    0.230 0.0 3
torsion      1    6   19    5      0.000 0.0 1    0.000 180.0 2    0.320 0.0 3
torsion      1    6   19    6      0.000 0.0 1    0.000 180.0 2    0.150 0.0 3
torsion     19    6   19    1      0.000 0.0 1    0.000 180.0 2    0.100 0.0 3
torsion     19    6   19    5      0.000 0.0 1    0.000 180.0 2    0.100 0.0 3
torsion     19    6   19    6      0.000 0.0 1    0.000 180.0 2    0.100 0.0 3
torsion     20    6   19    1      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion     20    6   19    5      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion     20    6   19    6      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      1    6   25    6      0.000 0.0 1    0.000 180.0 2    0.400 0.0 3
torsion      2    6   25    6      0.200 0.0 1    0.000 180.0 2   -0.300 0.0 3
torsion     20    6   25    6     -0.300 0.0 1    1.200 180.0 2   -0.350 0.0 3
torsion      1    8    8    1      0.900 0.0 1   -6.800 180.0 2    0.210 0.0 3
torsion      1    8    8   20      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      1    8    8   23      2.000 0.0 1   -8.500 180.0 2    0.800 0.0 3
torsion      8    8    8   23      0.025 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion     20    8    8   20      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion     20    8    8   23      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion     23    8    8   23      1.800 0.0 1   -9.680 180.0 2    0.210 0.0 3
torsion      1    9   18    1     -4.000 0.0 1   -3.000 180.0 2   -2.100 0.0 3
torsion      1    9   18    7     -0.500 0.0 1   -1.000 180.0 2    0.000 0.0 3
torsion     28    9   18    1     -0.500 0.0 1   -2.000 180.0 2   -4.000 0.0 3
torsion     28    9   18    5      0.000 0.0 1    0.000 180.0 2    0.030 0.0 3
torsion     28    9   18    7      0.000 0.0 1    0.000 180.0 2    0.060 0.0 3
torsion      1   15   15    1      0.000 0.0 1   -7.000 180.0 2    0.467 0.0 3
torsion      5   15   15    5      0.000 0.0 1   -7.000 180.0 2    0.000 0.0 3
torsion      1   19   19    1      0.000 0.0 1    0.000 180.0 2    0.633 0.0 3
torsion      1   19   19    2      0.170 0.0 1    0.270 180.0 2    0.093 0.0 3
torsion      1   19   19   19      0.000 0.0 1    0.000 180.0 2    0.300 0.0 3
torsion      2   19   19    2      0.000 0.0 1    0.000 180.0 2    0.400 0.0 3
torsion      2   19   19    5      0.000 0.0 1    0.000 180.0 2    0.450 0.0 3
torsion      5   19   19    5      0.000 0.0 1    0.000 180.0 2    0.136 0.0 3
torsion      5   19   19   19      0.000 0.0 1    0.000 180.0 2    0.070 0.0 3
torsion     19   19   19   19      0.000 0.0 1    0.000 180.0 2    0.100 0.0 3
torsion      5   19   22    5      0.000 0.0 1    0.000 180.0 2    0.500 0.0 3
torsion      5   19   22   22      0.000 0.0 1    0.000 180.0 2    0.083 0.0 3
torsion      1   22   22    1      0.200 0.0 1    0.270 180.0 2    0.240 0.0 3
torsion      1   22   22    3      0.200 0.0 1    0.200 180.0 2    0.000 0.0 3
torsion      1   22   22    5      0.000 0.0 1    0.000 180.0 2    0.120 0.0 3
torsion      1   22   22   22      0.200 0.0 1    0.270 180.0 2    0.093 0.0 3
torsion      1   22   22   49      0.000 0.0 1    0.000 180.0 2    0.530 0.0 3
torsion      2   22   22    2      0.200 0.0 1    0.270 180.0 2    0.093 0.0 3
torsion      2   22   22    5      0.000 0.0 1    0.000 180.0 2    0.120 0.0 3
torsion      2   22   22   22      0.170 0.0 1    0.270 180.0 2    0.093 0.0 3
torsion      2   22   22   49      0.000 0.0 1    0.000 180.0 2    0.530 0.0 3
torsion      3   22   22    5      0.000 0.0 1    0.000 180.0 2    0.120 0.0 3
torsion      3   22   22   22      0.200 0.0 1    0.200 180.0 2    0.000 0.0 3
torsion      5   22   22    5      0.000 0.0 1    0.000 180.0 2    0.137 0.0 3
torsion      5   22   22   19      0.000 0.0 1    0.000 180.0 2    0.120 0.0 3
torsion      5   22   22   22      0.000 0.0 1    0.000 180.0 2    0.167 0.0 3
torsion      5   22   22   38      0.000 0.0 1    2.000 180.0 2    0.500 0.0 3
torsion      5   22   22   46      0.000 0.0 1    0.000 180.0 2    0.200 0.0 3
torsion      5   22   22   49      0.000 0.0 1    0.000 180.0 2    0.530 0.0 3
torsion     19   22   22   22      0.220 0.0 1    0.270 180.0 2    0.093 0.0 3
torsion     22   22   22   22     -0.520 0.0 1    0.000 180.0 2    0.160 0.0 3
torsion     22   22   22   46      0.000 0.0 1    0.000 180.0 2    0.167 0.0 3
torsion      5   22   38    1      0.000 0.0 1    0.000 180.0 2    0.540 0.0 3
torsion      5   22   38    2      0.000 0.0 1    0.000 180.0 2   -0.240 0.0 3
torsion      5   22   38    5      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      5   22   38   22      0.000 0.0 1    2.000 180.0 2    0.540 0.0 3
torsion      5   22   38   38      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion     22   22   38    2      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion     22   22   38    5      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion     38   22   38    1      0.000 0.0 1    0.000 180.0 2    0.300 0.0 3
torsion     38   22   38    2      0.100 0.0 1    0.000 180.0 2    0.500 0.0 3
torsion     38   22   38    5      0.000 0.0 1    0.000 180.0 2    0.600 0.0 3
torsion      5   22   46    7      0.000 0.0 1    1.000 180.0 2    0.000 0.0 3
torsion     22   22   46    7      0.000 0.0 1    2.000 180.0 2    0.000 0.0 3
torsion      1   22   49   20      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      1   22   49   22      0.000 0.0 1    0.000 180.0 2    1.210 0.0 3
torsion      2   22   49   20      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      2   22   49   22      0.000 0.0 1    0.000 180.0 2    1.210 0.0 3
torsion      5   22   49   20      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      5   22   49   22      0.000 0.0 1    0.000 180.0 2    1.210 0.0 3
torsion     22   22   49   20      0.000 0.0 1    0.000 180.0 2    0.000 0.0 3
torsion      1   33   33    1      0.000 0.0 1    0.000 180.0 2    0.021 0.0 3
torsion      1   37   37    1     -1.900 0.0 1   10.000 180.0 2    0.000 0.0 3
torsion      1   37   37   20      0.000 0.0 1   10.000 180.0 2    0.000 0.0 3
torsion      2   37   37    2      0.000 0.0 1   10.000 180.0 2    0.000 0.0 3
torsion      2   37   37   20      0.000 0.0 1   10.000 180.0 2    0.000 0.0 3
torsion     20   37   37   20      0.000 0.0 1   10.000 180.0 2    0.000 0.0 3
torsion     20   37   37   23      0.000 0.0 1   10.000 180.0 2    0.000 0.0 3
torsion     23   37   37   23      2.400 0.0 1   15.000 180.0 2    0.000 0.0 3
torsion      2   37   40    2      0.000 0.0 1   10.000 180.0 2    0.000 0.0 3
torsion      2   37   40   23      0.000 0.0 1   10.000 180.0 2    0.000 0.0 3
torsion     20   37   40    2      0.000 0.0 1   10.000 180.0 2    0.000 0.0 3
torsion     20   37   40   23      0.000 0.0 1   10.000 180.0 2    0.000 0.0 3
torsion      1   37   43    1     -1.900 0.0 1   10.000 180.0 2    0.000 0.0 3
torsion      1   37   43    7     -5.400 0.0 1   10.000 180.0 2    0.000 0.0 3
torsion     20   37   43    1      0.000 0.0 1   10.000 180.0 2    0.000 0.0 3
torsion     20   37   43    7      0.000 0.0 1   10.000 180.0 2    0.000 0.0 3
torsion      1   38   38   22     -0.100 0.0 1   15.000 180.0 2    0.000 0.0 3
torsion      5   38   38    5      0.000 0.0 1   15.000 180.0 2    0.000 0.0 3
torsion      5   38   38   22      0.000 0.0 1   15.000 180.0 2    0.000 0.0 3
torsion      1   50   50    1     -0.100 0.0 1    9.000 180.0 2    0.000 0.0 3
torsion      1   50   50    5      0.000 0.0 1    9.000 180.0 2    0.000 0.0 3
torsion      1   50   50   50     -0.270 0.0 1    9.000 180.0 2    0.000 0.0 3
torsion      5   50   50    5      0.000 0.0 1    9.000 180.0 2    0.000 0.0 3
torsion      5   50   50   50      0.000 0.0 1    5.405 180.0 2   -1.060 0.0 3
torsion     50   50   50   50     -0.930 0.0 1    4.800 180.0 2    0.000 0.0 3
torsion      1   70   71    1      0.000 0.0 1   10.560 180.0 2    0.000 0.0 3
torsion      1   70   71    5      0.000 0.0 1    9.070 180.0 2    0.000 0.0 3


      #####################################
      ##                                 ##
      ##  Torsional Parameters (4-Ring)  ##
      ##                                 ##
      #####################################


torsion4     1    1    1    1      0.200 0.0 1    0.270 180.0 2    1.533 0.0 3
torsion4     1    1    1    2      0.000 0.0 1    0.000 180.0 2    1.900 0.0 3
torsion4     1    1    1    3      0.200 0.0 1    0.270 180.0 2    1.533 0.0 3
torsion4     1    1    1    6      0.130 0.0 1    0.000 180.0 2    1.500 0.0 3
torsion4     1    1    1    8      0.100 0.0 1    0.400 180.0 2    2.500 0.0 3
torsion4     1    1    1   15      0.000 0.0 1   -0.100 180.0 2    1.100 0.0 3
torsion4     1    1    1   19      0.100 0.0 1    0.000 180.0 2    0.900 0.0 3
torsion4     1    1    1   31      0.000 0.0 1    0.000 180.0 2   -0.065 0.0 3
torsion4     1    1    1   39      0.100 0.0 1    0.400 180.0 2    2.500 0.0 3
torsion4     2    1    1    2      0.200 0.0 1    0.270 180.0 2    1.530 0.0 3
torsion4     3    1    1    6      0.100 0.0 1    0.000 180.0 2    1.500 0.0 3
torsion4     3    1    1    9      0.000 0.0 1    0.000 180.0 2    0.250 0.0 3
torsion4    22    1    1   22      0.200 0.0 1    0.270 180.0 2    1.533 0.0 3
torsion4    37    1    1   37      0.000 0.0 1    0.000 180.0 2    1.533 0.0 3
torsion4    37    1    1   43      0.000 0.0 1    0.000 180.0 2    1.533 0.0 3
torsion4     1    1    2    1      0.000 0.0 1    0.030 180.0 2    0.900 0.0 3
torsion4     1    1    2    2     -0.700 0.0 1    0.240 180.0 2    0.060 0.0 3
torsion4     2    1    2    1      0.000 0.0 1    0.000 180.0 2    0.300 0.0 3
torsion4     2    1    2    2      0.000 0.0 1    0.000 180.0 2    0.600 0.0 3
torsion4     1    1    3    1      0.550 0.0 1   -0.180 180.0 2    0.400 0.0 3
torsion4     1    1    3    6      0.100 0.0 1    0.000 180.0 2    1.500 0.0 3
torsion4     1    1    3    9      0.000 0.0 1    0.000 180.0 2    0.250 0.0 3
torsion4     1    1    6    1      0.130 0.0 1    0.000 180.0 2    1.500 0.0 3
torsion4     1    1    6    3      0.100 0.0 1    0.000 180.0 2    1.500 0.0 3
torsion4     1    1    8    1     -0.200 0.0 1    0.730 180.0 2    2.500 0.0 3
torsion4     1    1    9    3      0.000 0.0 1    0.000 180.0 2    0.250 0.0 3
torsion4     1    1   15    1      0.000 0.0 1   -0.100 180.0 2    1.100 0.0 3
torsion4     1    1   19    1      0.100 0.0 1    0.000 180.0 2    0.900 0.0 3
torsion4     1    1   22   22      0.200 0.0 1    0.270 180.0 2    1.533 0.0 3
torsion4     1    1   31    1      0.000 0.0 1    0.000 180.0 2    0.152 0.0 3
torsion4     1    1   37   37      0.000 0.0 1    0.000 180.0 2    0.060 0.0 3
torsion4     1    1   37   43      0.000 0.0 1    0.000 180.0 2    0.060 0.0 3
torsion4     1    1   39    1     -0.200 0.0 1    0.730 180.0 2    2.500 0.0 3
torsion4     1    2    2    1     -0.100 0.0 1   15.000 180.0 2    0.000 0.0 3
torsion4     2    2    2    2     -0.930 0.0 1   15.000 180.0 2    0.000 0.0 3
torsion4     1    3    6    1     -2.500 0.0 1    1.390 180.0 2    0.000 0.0 3
torsion4     1    3    9    1      0.000 0.0 1    0.000 180.0 2    0.250 0.0 3
torsion4    22    3   22   22      0.550 0.0 1   -0.180 180.0 2    0.400 0.0 3
torsion4     1   22   22    1      0.200 0.0 1    0.270 180.0 2    2.500 0.0 3
torsion4     1   22   22   22      0.200 0.0 1    0.270 180.0 2    1.533 0.0 3
torsion4     3   22   22   22      0.200 0.0 1    0.270 180.0 2    1.533 0.0 3
torsion4    22   22   22   22      6.070 0.0 1    0.000 180.0 2   -0.880 0.0 3
torsion4     1   37   37    1     -1.900 0.0 1   10.000 180.0 2    0.000 0.0 3
torsion4     1   37   43    1     -1.900 0.0 1   10.000 180.0 2    0.000 0.0 3


      ######################################
      ##                                  ##
      ##  Torsional Parameters (Allenes)  ##
      ##                                  ##
      ######################################


#torsion     1    2    2    1      0.000 0.0 1  -11.500 180.0 2    0.000 0.0 3
#torsion     1    2    2    5      0.000 0.0 1  -11.500 180.0 2    0.000 0.0 3
#torsion     5    2    2    5      0.050 0.0 1  -12.100 180.0 2    0.000 0.0 3


      ########################################
      ##                                    ##
      ##  Atomic Partial Charge Parameters  ##
      ##                                    ##
      ########################################


charge       16               1.000
charge       30               1.000
charge       39               1.000
charge       47              -0.500


      #####################################
      ##                                 ##
      ##  Bond Dipole Moment Parameters  ##
      ##                                 ##
      #####################################


dipole        1    2          0.300      0.500
dipole        1    3          0.300      0.500
dipole        1    4          0.750      0.500
dipole        1    6          0.440      0.500
dipole        1    8          0.040      0.500
dipole        1    9          1.470      0.500
dipole        1   11          1.820      0.500
dipole        1   12          1.940      0.500
dipole        1   13          1.790      0.500
dipole        1   14          1.300      0.500
dipole        1   15          1.200      0.500
dipole        1   16          1.200      0.500
dipole        1   17          1.200      0.500
dipole        1   18          1.200      0.500
dipole        1   19         -0.600      0.500
dipole        1   22          0.150      0.500
dipole        1   25          0.830      0.500
dipole        1   31         -0.550      0.500
dipole        1   32         -0.650      0.500
dipole        1   33         -0.500      0.500
dipole        1   34         -1.100      0.500
dipole        1   35         -1.000      0.500
dipole        1   37          1.260      0.500
dipole        1   38          0.300      0.500
dipole        1   41          0.220      0.500
dipole        1   43          1.260      0.500
dipole        1   46          1.350      0.500
dipole        1   50          0.300      0.500
dipole        1   70          1.900      0.500
dipole        1   71          0.300      0.500
dipole        1   72          1.260      0.500
dipole        2    6          0.001      0.500
dipole        2    8         -0.400      0.500
dipole        2    9          1.300      0.500
dipole        2   11          1.480      0.500
dipole        2   12          1.580      0.500
dipole        2   13          1.560      0.500
dipole        2   14          1.400      0.500
dipole        2   19         -0.650      0.500
dipole        2   22         -0.150      0.500
dipole        2   25          1.040      0.500
dipole        2   37          0.583      0.500
dipole        2   40          0.870      0.500
dipole        2   41          0.950      0.500
dipole        2   42          1.925      0.500
dipole        2   46          1.700      0.500
dipole        2   72          0.583      0.500
dipole        3    6         -0.200      0.500
dipole        3    7          2.600      0.500
dipole        3    9         -0.290      0.500
dipole        3   11          1.480      0.500
dipole        3   12          1.580      0.500
dipole        3   13          1.560      0.500
dipole        3   14          1.400      0.500
dipole        3   22          0.300      0.500
dipole        3   72          0.583      0.500
dipole        4   10          3.400      0.500
dipole        5   15          0.900      0.500
dipole        5   25          0.500      0.500
dipole        5   34          0.700      0.500
dipole        5   35          0.800      0.500
dipole        6   19         -0.400      0.500
dipole        6   20          0.900      0.500
dipole        6   21         -1.115      0.500
dipole        6   24         -0.700      0.500
dipole        6   25          0.970      0.500
dipole        6   28         -0.700      0.500
dipole        7   17         -3.030      0.500
dipole        7   18         -2.930      0.500
dipole        7   43         -2.600      0.500
dipole        7   46         -2.530      0.500
dipole        8   20          0.600      0.500
dipole        8   23         -0.760      0.500
dipole        9   18          0.800      0.500
dipole        9   28         -1.310      0.500
dipole       20   37         -0.600      0.500
dipole       20   41         -0.750      0.500
dipole       20   72         -0.600      0.500
dipole       22   46          1.700      0.500
dipole       23   37          0.600      0.500
dipole       23   40          0.550      0.500
dipole       23   72          0.600      0.500
dipole       28   41          0.700      0.500
dipole       37   40          0.300      0.500
dipole       70   71         -2.800      0.500


      ##############################################
      ##                                          ##
      ##  Bond Dipole Moment Parameters (3-Ring)  ##
      ##                                          ##
      ##############################################


dipole3      22   49         0.735      0.500


      ###########################################
      ##                                       ##
      ##  Conjugated Pisystem Atom Parameters  ##
      ##                                       ##
      ###########################################


piatom        2         1.0      -11.160     11.134
piatom        3         1.0      -11.160     11.134
piatom        4         1.0      -11.160     11.134
piatom        6         2.0      -17.600     19.342
piatom        7         1.0      -17.210     14.520
piatom        9         2.0      -13.145     17.210
piatom       10         1.0      -14.120     12.340
piatom       37         1.0      -14.120     12.340
piatom       40         2.0      -13.145     17.210
piatom       41         2.0      -17.600     19.342
piatom       42         2.0      -15.800     11.920
piatom       72         1.0      -14.120     12.340


      ###########################################
      ##                                       ##
      ##  Conjugated Pisystem Bond Parameters  ##
      ##                                       ##
      ###########################################


pibond        2    2          4.600      0.166
pibond        2    3          4.600      0.166
pibond        2    4          7.790      0.156
pibond        2   37         10.880      0.196
pibond        2   40         10.880      0.196
pibond        2   41          5.440      0.196
pibond        2   42          4.861      0.397
pibond        2   72         10.880      0.196
pibond        3    3          4.600      0.140
pibond        3    4          4.600      0.166
pibond        3    7          4.600      0.105
pibond        3   72         10.880      0.196
pibond        4    4          4.600      0.238
pibond       37   37         10.500      0.170
pibond       37   40         10.880      0.196