* LIGAND DATABASE FILE (OPLS2005)
*
001      73    74    130    202     384
    1     0 S   NP   _N1_     1    30.26778    93.38718   -16.13207
    2     1 S   H    _HN1     2     1.02970   145.23790    53.41659
    3     1 S   H    _H1_     3     1.02840    46.86651   103.25362
    4     1 S   H    _H2_     4     1.02780    69.59302   -39.51860
    5     1 S   CT   _CA1     5     1.50196   101.59444  -149.12246
    6     5 S   HC   _HA1     6     1.09554   105.34035    11.43463
    7     5 S   CO3  _C1_     7     1.53873   112.17591  -109.06601
    8     7 S   O2Z  _O11     8     1.26394   115.06907   -45.72111
    9     7 S   O2Z  _O12     9     1.26213   114.93512   133.34424
   10     5 S   CT   _CB1    10     1.52967   107.36142   129.54497
   11    10 S   HC   HB11    11     1.09846   109.79859   -48.81824
   12    10 S   HC   HB12    12     1.09684   110.00128    67.16281
   13    10 S   CT   _CG1    13     1.53136   113.00311  -169.76703
   14    13 S   HC   HG11    14     1.09547   111.48382   -55.56530
   15    13 S   HC   HG12    15     1.09565   110.70723    63.85522
   16    13 S   C    _CD1    16     1.51472   109.74865  -176.21090
   17    16 S   O    _OE1    17     1.22776   122.06817   -96.82995
   18    16 S   N    _N2_    18     1.38191   112.36280    80.68215
   19    18 S   H    _HN2    19     1.01720   119.01951     6.39648
   20    18 S   CT1  _CA2    20     1.45710   123.67580  -173.98373
   21    20 S   HC   _HA2    21     1.09723   108.72822    23.25061
   22    20 S   C    _C2_    22     1.52772   107.75696   -94.42353
   23    22 S   O    _O2_    23     1.22934   122.99634   -25.24006
   24    20 S   CT   _CB2    32     1.53499   111.44676   145.65432
   25    24 S   HC   HB21    33     1.09427   109.80113    62.73235
   26    24 S   HC   HB22    34     1.09530   110.45100  -179.52812
   27    22 S   N    _N3_    24     1.38642   112.32061   157.81802
   28    27 S   H    _HN3    25     1.01488   119.74400     0.32566
   29    24 S   S    _SG2    35     1.83337   110.63510   -60.39314
   30    27 S   CT   _CA3    26     1.45428   122.68624   174.52203
   31    30 S   HC   HA31    27     1.09546   108.81261    33.09378
   32    30 S   HC   HA32    28     1.09474   107.18691   150.25043
   33    29 S   CT   _C15    36     1.86390   102.50098   135.92868
   34    30 S   CO3  _C3_    29     1.53113   113.81333   -89.67641
   35    34 S   O2Z  _O31    30     1.26362   115.99746   -25.77656
   36    34 S   O2Z  _O32    31     1.26436   114.55559   155.02267
   37    33 S   CO4  _C11    37     1.53028   110.64726   -54.90238
   38    37 S   O    _O18    38     1.22792   123.31780   -22.31047
   39    33 S   CT   _C19    56     1.56853   109.50061  -173.94923
   40    39 S   HC   _H36    57     1.09747   108.76009   176.54169
   41    37 S   CA   _C7_    39     1.49144   117.68699   160.80617
   42    39 S   CT   _C18    58     1.54493   115.02254    54.88544
   43    42 S   HC   _H34    59     1.09471   110.41896    44.71007
   44    42 S   HC   _H35    60     1.09304   110.79876   -73.19920
   45    39 S   OH   _O21    72     1.43240   109.23997   -68.09245
   46    45 S   HO   _H39    73     0.97248   107.85507  -175.83247
   47    41 S   CA   _C6_    40     1.40623   120.29661   -15.18798
   48    42 S   CM   _C12    61     1.50746   111.92649   162.93003
   49    48 S   HC   _H25    62     1.08996   113.94379   -72.57544
   50    47 S   CA   _C8_    41     1.40580   119.44181   179.06518
   51    47 S   CO4  _C10    51     1.48631   120.10724    -1.62100
   52    51 S   O    _O17    52     1.22739   120.86680   171.09539
   53    48 S   CM   _C13    63     1.34658   127.98270   108.78141
   54    50 S   CA   _C4_    42     1.39380   120.77619     0.50202
   55    54 S   HA   _H23    43     1.08680   120.44659   179.73312
   56    50 S   OH   _O19    49     1.36948   123.61024   180.00000
   57    56 S   HO   _H37    50     0.97376   109.06442     2.16970
   58    33 S   CT   _C14    53     1.53252   107.31882    63.95477
   59    58 S   HC   _H26    54     1.09684   111.17724    64.40447
   60    58 S   HC   _H27    55     1.09684   112.62331   -55.94510
   61    53 S   CT   _C16    64     1.50593   120.39894   178.33317
   62    61 S   HC   _H28    65     1.09495   110.28111   119.21050
   63    61 S   HC   _H29    66     1.09498   110.19781  -120.96848
   64    61 S   HC   _H30    67     1.09511   112.42106    -0.92281
   65    53 S   CT   _C17    68     1.50281   125.27230    -2.24455
   66    65 S   HC   _H31    69     1.09482   110.07798   113.98312
   67    65 S   HC   _H32    70     1.09197   113.59687    -7.15993
   68    65 S   HC   _H33    71     1.09544   110.03081  -126.73562
   69    54 S   CA   _C5_    44     1.38995   119.85726    -0.37325
   70    69 S   HA   _H24    45     1.08699   119.65980  -179.60238
   71    41 S   CA   _C9_    46     1.40607   120.59451   163.90578
   72    71 S   OH   _O20    47     1.36906   123.87261    -0.58047
   73    72 S   HO   _H38    48     0.97473   109.71604    -7.18272
  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  12   5   4   3
  18   2   1   1  15   5  14   7  12  10   5   4   3   1  13  10
   3  10   7   3   8   7   4   2   1   2   1   1   7   3   2   1
   3   2   1   1   4   2   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    58    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    51    58    59    60    39    40    42    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    47    71    51    52    58    59    60    39    40    42    43    44    48    45    46  
   35    36  
   36  
    0  
   38    41    47    50    69    71    72    51    58    59    60    39    40    42    45  
   41    47    71    58    39  
   40    42    43    44    48    49    53    45    46    41    51    58    59    60  
   42    43    44    48    45    46    58  
   47    50    54    69    70    71    72    73    56    51    52    58  
   43    44    48    49    53    61    65    45    46    58  
   44    48    49    53    45  
   48    49    53    45  
   46    48    58  
    0  
   50    54    55    69    71    72    56    57    51    52    58    59    60  
   49    53    61    62    63    64    65    66    67    68  
   53    61    65  
   54    55    69    70    71    56    57    51    52    58  
   52    58    59    60    54    56    71  
   58    59    60  
   61    62    63    64    65    66    67    68  
   55    69    70    71    72    56    57  
   69    70    71    56  
   57    69  
    0  
   59    60  
   60  
    0  
   62    63    64    65    66    67    68  
   63    64    65  
   64    65  
   65  
   66    67    68  
   67    68  
   68  
    0  
   70    71    72    73  
   71    72  
   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   51   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   72   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.435000   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    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  1.522
   33    58   268.000  1.529
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    41   310.000  1.470
   41    47   469.000  1.400
   41    71   469.000  1.400
   47    50   469.000  1.400
   47    51   310.000  1.470
   50    54   469.000  1.400
   50    56   450.000  1.364
   54    55   367.000  1.080
   54    69   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   450.000  1.364
   72    73   553.000  0.945
   56    57   553.000  0.945
   51    52   570.000  1.229
   51    58   317.000  1.522
   58    59   340.000  1.090
   58    60   340.000  1.090
   39    40   340.000  1.090
   39    42   268.000  1.529
   39    45   320.000  1.410
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    48   317.000  1.510
   48    49   340.000  1.080
   48    53   549.000  1.340
   53    61   317.000  1.510
   53    65   317.000  1.510
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   45    46   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  110.18000
   29    33    58    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    41    65.00000  115.47100
   33    58    51    63.00000  111.10000
   33    58    59    37.50000  110.70000
   33    58    60    37.50000  110.70000
   33    39    40    37.50000  110.70000
   33    39    42    58.35000  112.70000
   33    39    45    50.00000  109.50000
   37    41    47    60.00000  119.52600
   37    41    71    60.00000  119.52600
   41    37    38    75.00000  123.78400
   41    47    50    63.00000  120.00000
   41    47    51    60.00000  119.52600
   41    71    69    63.00000  120.00000
   41    71    72    70.00000  120.00000
   47    50    54    63.00000  120.00000
   47    50    56    70.00000  120.00000
   47    51    52    75.00000  123.78400
   47    51    58    65.00000  115.47100
   50    54    55    35.00000  120.00000
   50    54    69    63.00000  120.00000
   50    56    57    35.00000  113.00000
   54    69    70    35.00000  120.00000
   54    69    71    63.00000  120.00000
   69    54    55    35.00000  120.00000
   69    71    72    70.00000  120.00000
   71    41    47    63.00000  120.00000
   71    69    70    35.00000  120.00000
   71    72    73    35.00000  113.00000
   56    50    54    70.00000  120.00000
   51    47    50    60.00000  119.52600
   51    58    59    35.00000  109.50000
   51    58    60    35.00000  109.50000
   58    33    37    63.00000  111.10000
   58    51    52    80.00000  120.40000
   60    58    59    33.00000  107.80000
   39    33    37    63.00000  111.10000
   39    33    58    58.35000  112.70000
   39    42    43    37.50000  110.70000
   39    42    44    37.50000  110.70000
   39    42    48    70.00000  112.02700
   39    45    46    55.00000  108.50000
   42    39    40    37.50000  110.70000
   42    48    49    35.00000  117.00000
   42    48    53    70.00000  124.00000
   44    42    43    33.00000  107.80000
   48    42    43    35.00000  109.50000
   48    42    44    35.00000  109.50000
   48    53    61    70.00000  124.00000
   48    53    65    70.00000  124.00000
   53    48    49    35.00000  120.00000
   53    61    62    35.00000  109.50000
   53    61    63    35.00000  109.50000
   53    61    64    35.00000  109.50000
   53    65    66    35.00000  109.50000
   53    65    67    35.00000  109.50000
   53    65    68    35.00000  109.50000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   65    53    61    65.00000  117.92700
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   45    39    40    35.00000  109.50000
   45    39    42    50.00000  109.50000
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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    58   0.01700  1.0 1.0
   24    29    33    58  -0.23550 -1.0 2.0
   24    29    33    58   0.21350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    41   0.65300  1.0 1.0
   29    33    37    41  -0.03850 -1.0 2.0
   29    33    37    41   0.33900  1.0 3.0
   29    33    58    51   0.56750  1.0 1.0
   29    33    58    51  -0.07550 -1.0 2.0
   29    33    58    51   0.20000  1.0 3.0
   29    33    58    59   0.15000  1.0 3.0
   29    33    58    60   0.15000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    42   0.44750  1.0 1.0
   29    33    39    42  -0.17800 -1.0 2.0
   29    33    39    42   0.20200  1.0 3.0
   29    33    39    45   0.56750  1.0 1.0
   29    33    39    45  -0.07550 -1.0 2.0
   29    33    39    45   0.20000  1.0 3.0
   33    37    41    47   2.26350  1.0 1.0
   33    37    41    47   0.76750 -1.0 2.0
   33    37    41    47   0.22500  1.0 3.0
   33    37    41    71   2.26350  1.0 1.0
   33    37    41    71   0.76750 -1.0 2.0
   33    37    41    71   0.22500  1.0 3.0
   33    39    42    43   0.15000  1.0 3.0
   33    39    42    44   0.15000  1.0 3.0
   33    39    42    48   0.34400  1.0 1.0
   33    39    42    48   0.09450 -1.0 2.0
   33    39    42    48   0.11100  1.0 3.0
   33    39    45    46  -0.11600  1.0 1.0
   33    39    45    46  -0.09450 -1.0 2.0
   33    39    45    46   0.21250  1.0 3.0
   37    33    58    51   0.11950  1.0 1.0
   37    33    58    51   0.20300 -1.0 2.0
   37    33    58    51  -0.70800  1.0 3.0
   37    33    58    59  -0.11250  1.0 3.0
   37    33    58    60  -0.11250  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    42  -0.95700  1.0 1.0
   37    33    39    42  -0.18200 -1.0 2.0
   37    33    39    42   0.29450  1.0 3.0
   37    33    39    45  -0.09450  1.0 1.0
   37    33    39    45  -1.12950 -1.0 2.0
   37    33    39    45   0.54000  1.0 3.0
   37    41    47    50   3.62500 -1.0 2.0
   37    41   -47    51   3.62500 -1.0 2.0
   37    41    71    69   3.62500 -1.0 2.0
   37    41    71    72   3.62500 -1.0 2.0
   38    37    41    47   1.05000 -1.0 2.0
   38    37    41    71   1.05000 -1.0 2.0
   41    47    50    54   3.62500 -1.0 2.0
   41    47    50    56   3.62500 -1.0 2.0
   41    47    51    52   1.05000 -1.0 2.0
   41    47    51    58   2.26350  1.0 1.0
   41    47    51    58   0.76750 -1.0 2.0
   41    47    51    58   0.22500  1.0 3.0
   41    71    72    73   0.84100 -1.0 2.0
   47    41    71    69   3.62500 -1.0 2.0
   47    41    71    72   3.62500 -1.0 2.0
   47    50    54    55   3.62500 -1.0 2.0
   47    50   -54    69   3.62500 -1.0 2.0
   47    50    56    57   0.84100 -1.0 2.0
   47    51   -58    33   0.05850 -1.0 2.0
   47    51   -58    33   0.17250  1.0 3.0
   47    51    58    59   0.00000  1.0 1.0
   47    51    58    60   0.00000  1.0 1.0
   50    47    51    52   1.05000 -1.0 2.0
   50    47    51    58   2.26350  1.0 1.0
   50    47    51    58   0.76750 -1.0 2.0
   50    47    51    58   0.22500  1.0 3.0
   50    54    69    70   3.62500 -1.0 2.0
   50    54    69    71   3.62500 -1.0 2.0
   54    50    56    57   0.84100 -1.0 2.0
   54    69   -71    41   3.62500 -1.0 2.0
   54    69    71    72   3.62500 -1.0 2.0
   55    54    69    70   3.62500 -1.0 2.0
   55    54    69    71   3.62500 -1.0 2.0
   69    71    72    73   0.84100 -1.0 2.0
   70    69    71    41   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   71    41   -47    50   3.62500 -1.0 2.0
   71    41    47    51   3.62500 -1.0 2.0
   56    50    54    55   3.62500 -1.0 2.0
   56    50    54    69   3.62500 -1.0 2.0
   51    47    50    54   3.62500 -1.0 2.0
   51    47    50    56   3.62500 -1.0 2.0
   52    51    58    33   0.30150 -1.0 2.0
   52    51    58    59   0.00000  1.0 1.0
   52    51    58    60   0.00000  1.0 1.0
   58    33    37    38   0.30150 -1.0 2.0
   58    33   -37    41   0.05850 -1.0 2.0
   58    33   -37    41   0.17250  1.0 3.0
   58    33    39    40   0.15000  1.0 3.0
   58    33    39    42   0.56750  1.0 1.0
   58    33    39    42  -0.07550 -1.0 2.0
   58    33    39    42   0.20000  1.0 3.0
   58    33    39    45   0.86500  1.0 1.0
   58    33    39    45  -0.17500 -1.0 2.0
   58    33    39    45   0.20800  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    41   0.05850 -1.0 2.0
   39    33    37    41   0.17250  1.0 3.0
   39    33    58    51  -0.95700  1.0 1.0
   39    33    58    51  -0.18200 -1.0 2.0
   39    33    58    51   0.29450  1.0 3.0
   39    33    58    59   0.15000  1.0 3.0
   39    33    58    60   0.15000  1.0 3.0
   39    42    48    49   0.00000  1.0 1.0
   39    42    48    53   0.09850  1.0 1.0
   39    42    48    53   0.15250 -1.0 2.0
   39    42    48    53  -0.50650  1.0 3.0
   40    39    42    43   0.15000  1.0 3.0
   40    39    42    44   0.15000  1.0 3.0
   40    39    42    48   0.15000  1.0 3.0
   40    39    45    46   0.19450  1.0 3.0
   42    39    45    46  -0.11600  1.0 1.0
   42    39    45    46  -0.09450 -1.0 2.0
   42    39    45    46   0.21250  1.0 3.0
   42    48    53    61   7.00000 -1.0 2.0
   42    48    53    65   7.00000 -1.0 2.0
   43    42    48    49   0.33100  1.0 3.0
   43    42    48    53   0.00000  1.0 1.0
   44    42    48    49   0.33100  1.0 3.0
   44    42    48    53   0.00000  1.0 1.0
   48    53    61    62   0.00000  1.0 1.0
   48    53    61    63   0.00000  1.0 1.0
   48    53    61    64   0.00000  1.0 1.0
   48    53    65    66   0.00000  1.0 1.0
   48    53    65    67   0.00000  1.0 1.0
   48    53    65    68   0.00000  1.0 1.0
   49    48    53    61   7.00000 -1.0 2.0
   49    48    53    65   7.00000 -1.0 2.0
   61    53    65    66   0.34800  1.0 3.0
   61    53    65    67   0.34800  1.0 3.0
   61    53    65    68   0.34800  1.0 3.0
   65    53    61    62   0.34800  1.0 3.0
   65    53    61    63   0.34800  1.0 3.0
   65    53    61    64   0.34800  1.0 3.0
   45    39    42    43   0.23400  1.0 3.0
   45    39    42    44   0.23400  1.0 3.0
   45    39    42    48   1.05650  1.0 1.0
   45    39    42    48   0.15600 -1.0 2.0
   45    39    42    48   0.53150  1.0 3.0
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    41    37    38  10.50000 -1.0 2.0
   47    71    41    37   4.00000 -1.0 2.0
   50    51    47    41   4.00000 -1.0 2.0
   54    56    50    47   4.00000 -1.0 2.0
   69    55    54    50   1.10000 -1.0 2.0
   71    70    69    54   1.10000 -1.0 2.0
   69    72    71    41   4.00000 -1.0 2.0
   47    58    51    52  10.50000 -1.0 2.0
   42    49    48    53  15.00000 -1.0 2.0
   61    65    53    48  15.00000 -1.0 2.0
END
