* LIGAND DATABASE FILE (OPLS2005)
*
001      64    64    105    165     311
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02015    91.34802    38.21072
    3     1 S   H    _H1_     3     1.02124    32.95293   161.79582
    4     1 S   H    _H2_     4     1.02111    89.19270   -70.48837
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08611   110.49349    58.87219
   26    24 S   HC   HB22    34     1.08640   109.89279   179.00771
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CM   _C15    36     1.74596    99.48157  -178.13880
   34    33 S   Cl   CL22    37     1.74469   113.86374    88.03940
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C12    38     1.35336   123.81244   -90.04221
   39    38 S   CA   _C8_    39     1.48141   123.26033     0.31153
   40    38 S   CO4  _C16    50     1.50247   119.36994  -176.36073
   41    40 S   O    _O15    51     1.22607   122.17014    88.37101
   42    39 S   CA   _C4_    40     1.39474   119.97284   -89.96071
   43    42 S   HA   _H23    41     1.08766   120.81981    -0.07133
   44    40 S   CM   _C11    52     1.48762   114.75029   -93.17473
   45    44 S   HC   _H28    53     1.08532   118.55936    -0.78335
   46    42 S   CA   _C6_    42     1.39495   120.00088   179.97202
   47    46 S   HA   _H25    43     1.08692   119.15512   179.97202
   48    44 S   CM   _C10    54     1.34027   120.14614   179.97202
   49    48 S   HC   _H27    55     1.08676   120.83663    -2.34485
   50    46 S   CA   _C9_    44     1.39398   120.01932    -0.07133
   51    50 S   Cl   CL20    45     1.72021   120.01280  -180.00000
   52    48 S   CM   _C14    56     1.44941   123.49743   179.93439
   53    52 S   Cl   CL21    57     1.74880   113.17435  -139.72072
   54    50 S   CA   _C7_    46     1.39477   119.99961     0.03426
   55    54 S   HA   _H26    47     1.08766   120.83966   179.98022
   56    52 S   CM   _C13    58     1.34765   127.37752    40.01260
   57    39 S   CA   _C5_    48     1.39508   120.02632    89.92372
   58    57 S   HA   _H24    49     1.08689   120.82097     0.15577
   59    56 S   C    _C17    59     1.49104   122.47876   179.97202
   60    59 S   O    _O16    60     1.21913   126.58709   -29.97452
   61    56 S   OH   _O17    63     1.38710   120.45492     0.79303
   62    61 S   HO   _H29    64     0.96003   109.39575    -0.05595
   63    59 S   OH   _O18    61     1.35535   109.51054   150.74266
   64    63 S   HO   _H30    62     0.98021   111.92898   179.35776
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   5   5   4   3
   8   3   2   1   1  12  12   8   3   8   4   6   3   6   3   6
   3   5   3   7   3   3   2   6   1   1   5   3   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    57    40    41    44  
   38    39    40  
   36    37  
   37  
    0  
   39    42    43    46    54    57    58    40    41    44    45    48  
   42    43    46    47    50    54    55    57    58    40    41    44  
   41    44    45    48    49    52    42    57  
   44    45    48  
   43    46    47    50    51    54    57    58  
   46    47    50    57  
   45    48    49    52    53    56  
   48    49    52  
   47    50    51    54    55    57  
   50    51    54  
   49    52    53    56    59    61  
   52    53    56  
   51    54    55    57    58  
   54    55    57  
   53    56    59    60    63    61    62  
   56    59    61  
   55    57    58  
   57    58  
   59    60    63    64    61    62  
   58  
    0  
   60    63    64    61    62  
   63    64    61  
   62    63  
    0  
   64  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5500   0.0760   0.127500   2.0020   1.7750   0.023028004  -0.852763146
   34   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   52   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   61   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   63   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   240.000  1.763
   33    34   300.000  1.725
   33    38   549.000  1.340
   38    39   320.000  1.460
   38    40   320.000  1.462
   39    42   469.000  1.400
   39    57   469.000  1.400
   42    43   367.000  1.080
   42    46   469.000  1.400
   46    47   367.000  1.080
   46    50   469.000  1.400
   50    51   300.000  1.725
   50    54   469.000  1.400
   54    55   367.000  1.080
   54    57   469.000  1.400
   57    58   367.000  1.080
   40    41   570.000  1.229
   40    44   320.000  1.462
   44    45   340.000  1.080
   44    48   549.000  1.340
   48    49   340.000  1.080
   48    52   380.000  1.444
   52    53   300.000  1.725
   52    56   549.000  1.340
   56    59   410.000  1.444
   56    61   510.000  1.338
   59    60   570.000  1.229
   59    63   450.000  1.364
   63    64   553.000  0.945
   61    62   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    85.00000  102.41200
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    75.00000  112.00000
   29    33    38    65.00000  122.11800
   33    38    39    60.00000  123.20500
   33    38    40    65.00000  118.96000
   38    33    34    75.00000  121.50000
   38    39    42    60.00000  120.93500
   38    39    57    60.00000  120.93500
   38    40    41    80.00000  123.72100
   38    40    44    65.00000  118.65900
   39    42    43    35.00000  120.00000
   39    42    46    63.00000  120.00000
   39    57    54    63.00000  120.00000
   39    57    58    35.00000  120.00000
   42    46    47    35.00000  120.00000
   42    46    50    63.00000  120.00000
   46    42    43    35.00000  120.00000
   46    50    51    75.00000  120.00000
   46    50    54    63.00000  120.00000
   50    46    47    35.00000  120.00000
   50    54    55    35.00000  120.00000
   50    54    57    63.00000  120.00000
   54    50    51    75.00000  120.00000
   54    57    58    35.00000  120.00000
   57    39    42    63.00000  120.00000
   57    54    55    35.00000  120.00000
   40    38    39    75.00000  114.44000
   40    44    45    40.00000  117.72500
   40    44    48    65.00000  118.96000
   44    40    41    80.00000  123.72100
   44    48    49    35.00000  120.00000
   44    48    52    70.00000  123.01800
   48    44    45    35.00000  120.00000
   48    52    53    75.00000  121.50000
   48    52    56    70.00000  123.01800
   52    48    49    35.00000  120.00000
   52    56    59    70.00000  118.70000
   52    56    61    80.00000  121.38400
   56    52    53    75.00000  121.50000
   56    59    60    80.00000  125.30000
   56    59    63    90.00000  111.55000
   56    61    62    70.00000  107.45700
   59    63    64    35.00000  113.00000
   63    59    60   100.00000  123.32000
   61    56    59    80.00000  119.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.00000  1.0 1.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   1.00000 -1.0 2.0
   24    29    33    38   1.00000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    38    39   7.00000 -1.0 2.0
   29    33    38    40   7.00000 -1.0 2.0
   33    38    39    42   0.15800  1.0 1.0
   33    38    39    42   1.85350 -1.0 2.0
   33    38    39    42  -0.48700  1.0 3.0
   33    38    39    57   0.15800  1.0 1.0
   33    38    39    57   1.85350 -1.0 2.0
   33    38    39    57  -0.48700  1.0 3.0
   33    38    40    41   1.00000 -1.0 2.0
   33    38    40    44  -1.18350  1.0 1.0
   33    38    40    44   1.45950 -1.0 2.0
   34    33    38    39   7.00000 -1.0 2.0
   34    33    38    40   7.00000 -1.0 2.0
   38    39    42    43   3.62500 -1.0 2.0
   38    39    42    46   3.62500 -1.0 2.0
   38    39    57    54   3.62500 -1.0 2.0
   38    39    57    58   3.62500 -1.0 2.0
   38    40    44    45   0.93700 -1.0 2.0
   38    40    44    48  -1.18350  1.0 1.0
   38    40    44    48   1.45950 -1.0 2.0
   39    38    40    41  -0.52200  1.0 1.0
   39    38    40    41   0.82950 -1.0 2.0
   39    38    40    44   1.50000 -1.0 2.0
   39    42    46    47   3.62500 -1.0 2.0
   39    42    46    50   3.62500 -1.0 2.0
   42    39    57    54   3.62500 -1.0 2.0
   42    39    57    58   3.62500 -1.0 2.0
   42    46    50    51   3.62500 -1.0 2.0
   42    46   -50    54   3.62500 -1.0 2.0
   43    42    46    47   3.62500 -1.0 2.0
   43    42    46    50   3.62500 -1.0 2.0
   46    50    54    55   3.62500 -1.0 2.0
   46    50    54    57   3.62500 -1.0 2.0
   47    46    50    51   3.62500 -1.0 2.0
   47    46    50    54   3.62500 -1.0 2.0
   50    54   -57    39   3.62500 -1.0 2.0
   50    54    57    58   3.62500 -1.0 2.0
   51    50    54    55   3.62500 -1.0 2.0
   51    50    54    57   3.62500 -1.0 2.0
   55    54    57    39   3.62500 -1.0 2.0
   55    54    57    58   3.62500 -1.0 2.0
   57    39    42    43   3.62500 -1.0 2.0
   57    39   -42    46   3.62500 -1.0 2.0
   40    38    39    42  -0.01750  1.0 1.0
   40    38    39    42  -0.32000 -1.0 2.0
   40    38    39    42   0.00600  1.0 3.0
   40    38    39    57  -0.01750  1.0 1.0
   40    38    39    57  -0.32000 -1.0 2.0
   40    38    39    57   0.00600  1.0 3.0
   40    44    48    49   7.00000 -1.0 2.0
   40    44    48    52   7.00000 -1.0 2.0
   41    40    44    45   0.00000  1.0 1.0
   41    40    44    48   1.00000 -1.0 2.0
   44    48    52    53  -0.18600  1.0 3.0
   44    48    52    56   0.28850  1.0 1.0
   44    48    52    56   2.61350 -1.0 2.0
   44    48    52    56   0.78400  1.0 3.0
   45    44    48    49   7.00000 -1.0 2.0
   45    44    48    52   7.00000 -1.0 2.0
   48    52    56    59   7.00000 -1.0 2.0
   48    52    56    61   7.00000 -1.0 2.0
   49    48    52    53   0.00000  1.0 1.0
   49    48    52    56  -0.18600  1.0 3.0
   52    56    59    60   1.00000 -1.0 2.0
   52    56    59    63  -0.01000  1.0 1.0
   52    56    59    63   1.29850 -1.0 2.0
   52    56    59    63  -0.09550  1.0 3.0
   52    56    61    62  -0.66100  1.0 1.0
   52    56    61    62   1.20850 -1.0 2.0
   52    56    61    62  -0.36000  1.0 3.0
   53    52    56    59   7.00000 -1.0 2.0
   53    52    56    61   7.00000 -1.0 2.0
   56    59    63    64   1.22000  1.0 1.0
   56    59    63    64   0.17300 -1.0 2.0
   59    56    61    62   2.00000 -1.0 2.0
   60    59    63    64   0.92200  1.0 1.0
   60    59    63    64   3.74100 -1.0 2.0
   61    56    59    60  -0.11900  1.0 1.0
   61    56    59    60   0.76850 -1.0 2.0
   61    56    59    60   0.14100  1.0 3.0
   61    56    59    63   1.50000 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   29    34    33    38  15.00000 -1.0 2.0
   39    40    38    33  15.00000 -1.0 2.0
   42    57    39    38   4.00000 -1.0 2.0
   46    43    42    39   1.10000 -1.0 2.0
   50    47    46    42   1.10000 -1.0 2.0
   54    51    50    46   4.00000 -1.0 2.0
   57    55    54    50   1.10000 -1.0 2.0
   54    58    57    39   1.10000 -1.0 2.0
   38    44    40    41  10.50000 -1.0 2.0
   40    45    44    48  15.00000 -1.0 2.0
   52    49    48    44  15.00000 -1.0 2.0
   48    53    52    56  15.00000 -1.0 2.0
   59    61    56    52  15.00000 -1.0 2.0
   56    63    59    60  10.50000 -1.0 2.0
END
