* LIGAND DATABASE FILE (OPLS2005)
*
001      73    73    121    186     359
    1     0 S   NP   _N1_     1    28.70111    93.89000   -20.80213
    2     1 S   H    _HN1     2     1.02045   105.80213    -1.68830
    3     1 S   H    _H1_     3     1.02097    48.61221    99.55684
    4     1 S   H    _H2_     4     1.02098    63.81019  -105.07483
    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   167.74439
   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    57.98761
   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     1.04724   118.98282     8.58904
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08448   106.40438   -11.12151
   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   105.32504
   25    24 S   HC   HB21    33     1.08733   110.25787    59.12706
   26    24 S   HC   HB22    34     1.08755   109.66015   178.75008
   27    22 S   N    _N3_    24     1.34263   118.97449    10.45205
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06898
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22029
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10345
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31071
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C18    36     1.80541    98.16801  -180.00000
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13160
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33884
   37    33 S   CM   _C10    37     1.52734   107.29126   -60.02610
   38    37 S   HC   _H29    38     1.09072   114.81784   116.67780
   39    33 S   C    _C15    46     1.53185   113.55807  -179.51949
   40    39 S   O    _O19    47     1.22832   123.13149    -1.06533
   41    33 S   CT   _C17    50     1.55160   109.81527    58.61061
   42    41 S   HC   _H33    51     1.09849   109.21369  -177.42025
   43    41 S   HC   _H34    52     1.09837   108.89308   -60.18495
   44    37 S   CM   _C13    39     1.34602   127.29107   -62.84309
   45    39 S   OH   _O24    48     1.35416   115.31068   177.37878
   46    45 S   HO   _H39    49     0.98134   114.38234  -178.48173
   47    41 S   CO4  _C11    53     1.53040   116.56885    61.97345
   48    47 S   O    _O16    54     1.22749   122.94709    63.14158
   49    44 S   C    _C14    40     1.48483   118.53550     0.00000
   50    49 S   O    _O18    41     1.22040   125.90117    89.95031
   51    44 S   OH   _O22    44     1.37839   122.23525  -179.39964
   52    51 S   HO   _H37    45     0.96369   109.87180     0.04846
   53    47 S   CA   _C7_    55     1.49152   118.39296  -117.95613
   54    49 S   OH   _O23    42     1.35383   109.94260   -90.01727
   55    54 S   HO   _H38    43     0.98119   112.01351   179.96574
   56    53 S   CA   _C4_    56     1.39451   119.08155   -59.97434
   57    56 S   HA   _H27    57     1.08852   120.03058     0.11191
   58    56 S   CA   _C6_    58     1.39461   119.99297  -179.97202
   59    58 S   CA   _C5_    59     1.39471   120.00678    -0.02798
   60    59 S   HA   _H28    60     1.08719   120.25938  -179.97202
   61    58 S   C    _C12    70     1.45437   120.03673  -179.78694
   62    61 S   O    _O17    71     1.23549   125.42174  -179.97202
   63    59 S   CA   _C8_    61     1.39551   119.99879     0.00000
   64    61 S   OH   _O21    72     1.36056   112.49993    -0.07402
   65    64 S   HO   _H36    73     0.98090   113.15199  -179.92598
   66    53 S   CA   _C9_    62     1.39517   120.88202   120.03636
   67    63 S   OS   _O25    65     1.36214   119.34988  -179.89721
   68    66 S   OH   _O20    63     1.36362   120.33411    -0.02798
   69    68 S   HO   _H35    64     0.96985   110.09566  -179.95577
   70    67 S   CT   _C16    66     1.42559   117.04926    89.91788
   71    70 S   HC   _H30    67     1.09362   109.51804   179.96044
   72    70 S   HC   _H31    68     1.09295   109.55045    59.18064
   73    70 S   HC   _H32    69     1.09249   109.01263   -60.46972
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  11   5   4   3
  15   2   1   1  14   5   8   3   9   4   3   6   1   1   8   3
   5   3   2   1  10   1   1  10   4   9   9   4   4   2   8   1
   1   4   5   1   1   3   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    44    39    40    45    41    42    43    47  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    44    49    51    39    40    45    46    41    42    43    47    48    53  
   35    36  
   36  
    0  
   38    44    49    50    54    51    52    39    40    45    41    42    43    47  
   44    49    51    39    41  
   40    45    46    41    42    43    47    44  
   45    46    41  
   42    43    47    48    53    56    66    44    45  
   43    47    48    53  
   47    48    53  
   49    50    54    55    51    52  
   46  
    0  
   48    53    56    57    58    63    66    68  
   53    56    66  
   50    54    55    51    52  
   54    55    51  
   52    54  
    0  
   56    57    58    59    63    66    68    69    67    61  
   55  
    0  
   57    58    59    60    63    66    68    61    62    64  
   58    59    66    61  
   59    60    63    66    67    61    62    64    65  
   60    63    66    68    67    70    61    62    64  
   63    66    67    61  
   62    64    65    63  
   64    65  
   66    68    69    67    70    71    72    73  
   65  
    0  
   68    69    67    70  
   70    71    72    73    68  
   69  
    0  
   71    72    73  
   72    73  
   73  
    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  -0.335000   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   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   45   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   51   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.7500   0.1050   0.635000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   63   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   68   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    39   317.000  1.522
   33    41   268.000  1.529
   37    38   340.000  1.080
   37    44   549.000  1.340
   44    49   410.000  1.444
   44    51   510.000  1.338
   49    50   570.000  1.229
   49    54   450.000  1.364
   54    55   553.000  0.945
   51    52   553.000  0.945
   39    40   570.000  1.229
   39    45   450.000  1.364
   45    46   553.000  0.945
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    47   317.000  1.522
   47    48   570.000  1.229
   47    53   310.000  1.470
   53    56   469.000  1.400
   53    66   469.000  1.400
   56    57   367.000  1.080
   56    58   469.000  1.400
   58    59   469.000  1.400
   58    61   400.000  1.490
   59    60   367.000  1.080
   59    63   469.000  1.400
   63    66   469.000  1.400
   63    67   450.000  1.364
   66    68   450.000  1.364
   68    69   553.000  0.945
   67    70   320.000  1.410
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   61    62   570.000  1.229
   61    64   450.000  1.364
   64    65   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    39    70.00000  112.33000
   29    33    41    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    44    70.00000  124.00000
   33    39    40    80.00000  120.40000
   33    39    45    70.00000  108.00000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    47    63.00000  111.10000
   37    44    49    70.00000  118.70000
   37    44    51    80.00000  121.38400
   44    37    38    35.00000  120.00000
   44    49    50    80.00000  125.30000
   44    49    54    90.00000  111.55000
   44    51    52    70.00000  107.45700
   49    54    55    35.00000  113.00000
   54    49    50   100.00000  123.32000
   51    44    49    80.00000  119.00000
   39    33    37    70.00000  115.00700
   39    45    46    35.00000  113.00000
   45    39    40   100.00000  123.32000
   41    33    37    70.00000  112.02700
   41    33    39    63.00000  111.10000
   41    47    48    80.00000  120.40000
   41    47    53    65.00000  115.47100
   43    41    42    33.00000  107.80000
   47    41    42    35.00000  109.50000
   47    41    43    35.00000  109.50000
   47    53    56    60.00000  119.52600
   47    53    66    60.00000  119.52600
   53    47    48    75.00000  123.78400
   53    56    57    35.00000  120.00000
   53    56    58    63.00000  120.00000
   53    66    63    63.00000  120.00000
   53    66    68    70.00000  120.00000
   56    58    59    63.00000  120.00000
   56    58    61    85.00000  120.00000
   58    56    57    35.00000  120.00000
   58    59    60    35.00000  120.00000
   58    59    63    63.00000  120.00000
   58    61    62    80.00000  120.40000
   58    61    64    85.00000  111.88000
   59    63    66    63.00000  120.00000
   59    63    67    70.00000  120.00000
   63    59    60    35.00000  120.00000
   63    66    68    70.00000  120.00000
   63    67    70    75.00000  111.00000
   66    53    56    63.00000  120.00000
   66    68    69    35.00000  113.00000
   67    63    66    70.00000  120.00000
   67    70    71    35.00000  109.50000
   67    70    72    35.00000  109.50000
   67    70    73    35.00000  109.50000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   61    58    59    85.00000  120.00000
   61    64    65    35.00000  113.00000
   64    61    62   100.00000  123.32000
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   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    44   0.42700  1.0 1.0
   29    33    37    44  -0.70350 -1.0 2.0
   29    33    37    44  -0.43150  1.0 3.0
   29    33    39    40   0.30150 -1.0 2.0
   29    33    39    45   0.40000  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    47   0.56750  1.0 1.0
   29    33    41    47  -0.07550 -1.0 2.0
   29    33    41    47   0.20000  1.0 3.0
   33    37    44    49   7.00000 -1.0 2.0
   33    37    44    51   7.00000 -1.0 2.0
   33    39    45    46   1.50000  1.0 1.0
   33    39    45    46   2.45000 -1.0 2.0
   33    41    47    48   0.30150 -1.0 2.0
   33    41    47    53   0.05850 -1.0 2.0
   33    41    47    53   0.17250  1.0 3.0
   37    33    39    40   0.30150 -1.0 2.0
   37    33    39    45   0.40000  1.0 3.0
   37    33    41    42   0.15000  1.0 3.0
   37    33    41    43   0.15000  1.0 3.0
   37    33    41    47  -0.98800  1.0 1.0
   37    33    41    47   0.48800 -1.0 2.0
   37    33    41    47   0.76800  1.0 3.0
   37    44    49    50   1.00000 -1.0 2.0
   37    44    49    54  -0.01000  1.0 1.0
   37    44    49    54   1.29850 -1.0 2.0
   37    44    49    54  -0.09550  1.0 3.0
   37    44    51    52  -0.66100  1.0 1.0
   37    44    51    52   1.20850 -1.0 2.0
   37    44    51    52  -0.36000  1.0 3.0
   38    37    44    49   7.00000 -1.0 2.0
   38    37    44    51   7.00000 -1.0 2.0
   44    49    54    55   1.22000  1.0 1.0
   44    49    54    55   0.17300 -1.0 2.0
   49    44    51    52   2.00000 -1.0 2.0
   50    49    54    55   0.92200  1.0 1.0
   50    49    54    55   3.74100 -1.0 2.0
   51    44    49    50  -0.11900  1.0 1.0
   51    44    49    50   0.76850 -1.0 2.0
   51    44    49    50   0.14100  1.0 3.0
   51    44    49    54   1.50000 -1.0 2.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    44  -0.51250  1.0 1.0
   39    33    37    44  -0.88800 -1.0 2.0
   39    33    37    44   0.08850  1.0 3.0
   39    33    41    42  -0.11250  1.0 3.0
   39    33    41    43  -0.11250  1.0 3.0
   39    33    41    47   0.11950  1.0 1.0
   39    33    41    47   0.20300 -1.0 2.0
   39    33    41    47  -0.70800  1.0 3.0
   40    39    45    46   0.92200  1.0 1.0
   40    39    45    46   3.74100 -1.0 2.0
   41    33    37    38   0.00000  1.0 1.0
   41    33    37    44   0.09850  1.0 1.0
   41    33    37    44   0.15250 -1.0 2.0
   41    33    37    44  -0.50650  1.0 3.0
   41    33    39    40   0.30150 -1.0 2.0
   41    33    39    45   0.50000  1.0 1.0
   41    33    39    45   0.27300 -1.0 2.0
   41    33    39    45   0.22500  1.0 3.0
   41    47    53    56   2.26350  1.0 1.0
   41    47    53    56   0.76750 -1.0 2.0
   41    47    53    56   0.22500  1.0 3.0
   41    47    53    66   2.26350  1.0 1.0
   41    47    53    66   0.76750 -1.0 2.0
   41    47    53    66   0.22500  1.0 3.0
   42    41    47    48   0.00000  1.0 1.0
   42    41    47    53   0.00000  1.0 1.0
   43    41    47    48   0.00000  1.0 1.0
   43    41    47    53   0.00000  1.0 1.0
   47    53    56    57   3.62500 -1.0 2.0
   47    53    56    58   3.62500 -1.0 2.0
   47    53    66    63   3.62500 -1.0 2.0
   47    53    66    68   3.62500 -1.0 2.0
   48    47    53    56   1.05000 -1.0 2.0
   48    47    53    66   1.05000 -1.0 2.0
   53    56    58    59   3.62500 -1.0 2.0
   53    56    58    61   3.62500 -1.0 2.0
   53    66    68    69   0.84100 -1.0 2.0
   56    53    66    63   3.62500 -1.0 2.0
   56    53    66    68   3.62500 -1.0 2.0
   56    58    59    60   3.62500 -1.0 2.0
   56    58   -59    63   3.62500 -1.0 2.0
   56    58    61    62   1.05000 -1.0 2.0
   56    58    61    64   0.36000 -1.0 2.0
   57    56    58    59   3.62500 -1.0 2.0
   57    56    58    61   3.62500 -1.0 2.0
   58    59    63    66   3.62500 -1.0 2.0
   58    59    63    67   3.62500 -1.0 2.0
   58    61    64    65   2.25750  1.0 1.0
   58    61    64    65  -1.92700 -1.0 2.0
   59    58    61    62   1.05000 -1.0 2.0
   59    58    61    64   0.36000 -1.0 2.0
   59    63   -66    53   3.62500 -1.0 2.0
   59    63    66    68   3.62500 -1.0 2.0
   59    63    67    70   1.63200 -1.0 2.0
   60    59    63    66   3.62500 -1.0 2.0
   60    59    63    67   3.62500 -1.0 2.0
   63    66    68    69   0.84100 -1.0 2.0
   63    67    70    71   0.08050  1.0 3.0
   63    67    70    72   0.08050  1.0 3.0
   63    67    70    73   0.08050  1.0 3.0
   66    53    56    57   3.62500 -1.0 2.0
   66    53   -56    58   3.62500 -1.0 2.0
   66    63    67    70   1.63200 -1.0 2.0
   67    63    66    53   3.62500 -1.0 2.0
   67    63    66    68   3.62500 -1.0 2.0
   61    58    59    60   3.62500 -1.0 2.0
   61    58    59    63   3.62500 -1.0 2.0
   62    61    64    65   0.92200  1.0 1.0
   62    61    64    65   3.74100 -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
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    44  15.00000 -1.0 2.0
   49    51    44    37  15.00000 -1.0 2.0
   44    54    49    50  10.50000 -1.0 2.0
   33    45    39    40  10.50000 -1.0 2.0
   41    53    47    48  10.50000 -1.0 2.0
   56    66    53    47   4.00000 -1.0 2.0
   58    57    56    53   1.10000 -1.0 2.0
   59    61    58    56   4.00000 -1.0 2.0
   63    60    59    58   1.10000 -1.0 2.0
   66    67    63    59   4.00000 -1.0 2.0
   63    68    66    53   4.00000 -1.0 2.0
   58    64    61    62  10.50000 -1.0 2.0
END
