* LIGAND DATABASE FILE (OPLS2005)
*
001      73    77    136    232     408
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02059    74.30976   -91.32334
    3     1 S   H    _H1_     3     1.02098   101.99275    14.96727
    4     1 S   H    _H2_     4     1.02111    39.82058   119.83382
    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     1.08610   110.54789    58.81774
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   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   CT   _C23    36     1.83989    97.79118   161.86365
   34    33 S   HC   _H3_    37     1.11978   105.16417    41.48105
   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   CT   _C21    38     1.54433   112.89320   160.00735
   39    38 S   HC   _H34    39     1.13407   104.48870  -160.16424
   40    38 S   CA   _C19    40     1.52908   115.29021    79.94325
   41    38 S   OH   _O22    72     1.42962   107.46091   -47.40156
   42    41 S   HO   _H38    73     0.96861   106.43066   -51.44870
   43    40 S   CA   _C15    41     1.43624   121.53501  -167.53574
   44    40 S   CA   _C18    61     1.41337   119.11791    15.91754
   45    43 S   CA   _C10    42     1.41446   124.20955    -4.00946
   46    45 S   HA   _H31    43     1.08954   120.95637    -1.19108
   47    44 S   CT   _C20    62     1.51513   123.46132     3.68015
   48    47 S   HC   _H33    63     1.09920   106.65707   129.37966
   49    43 S   CR3  _C17    70     1.42083   119.36765   177.17465
   50    45 S   CA   _C8_    44     1.39759   122.57195   178.34969
   51    50 S   HA   _H29    45     1.08792   118.56992  -179.03531
   52    33 S   CT   _C22    64     1.52964   111.31725   -74.75718
   53    52 S   HC   _H35    65     1.11066   110.66016    54.30624
   54    47 S   OH   _O21    68     1.42672   108.11958  -115.69907
   55    54 S   HO   _H37    69     0.96824   106.29420  -180.00000
   56    57 S   CR3  _C16    71     1.41068   118.87331     1.01008
   57    50 S   CA   _C13    46     1.39371   120.68352     0.86343
   58    52 S   OH   _O23    66     1.43132   109.02407   170.64605
   59    58 S   HO   _H39    67     0.96866   106.30688  -177.22943
   60    57 S   CA   _C6_    47     1.40279   121.18632  -179.63309
   61    60 S   HA   _H27    48     1.08836   120.59955     0.73115
   62    60 S   CA   _C4_    49     1.39212   120.56150  -179.33648
   63    62 S   HA   _H25    50     1.08555   120.04997  -179.65622
   64    62 S   CA   _C5_    51     1.39322   119.96172     0.34830
   65    64 S   HA   _H26    52     1.08751   118.75338   179.87333
   66    64 S   CA   _C12    53     1.40267   120.55719    -0.16786
   67    66 S   CA   _C7_    54     1.39733   120.87515   179.35898
   68    67 S   HA   _H28    55     1.08761   120.81469     0.88470
   69    67 S   CA   _C9_    56     1.39283   120.43673  -179.32334
   70    69 S   HA   _H30    57     1.08832   118.56227   179.50941
   71    69 S   CA   _C14    58     1.40184   120.90939    -0.63919
   72    71 S   CA   _C11    59     1.39460   120.40423   178.71138
   73    72 S   HA   _H32    60     1.09020   119.44483    -0.85661
  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  10   5   4   3
  15   8   2   1   1  13   6  16   4   1  13  13   8   4  10   6
  12   7   3   6   3   3   1  12   8   1   1   6   3   5   3   5
   2   5   5   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    52    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    47    52    53    58    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    47    48    52    53    58    59    54    41    42  
   38    39    40    47    52    53    58    41  
   36    37  
   37  
    0  
   39    40    43    45    72    44    47    52    53    58    49    41    42  
   40    43    44    52    41    42  
   43    45    46    50    71    72    73    44    47    48    52    54    49    56    41    42  
   42    43    44    52  
    0  
   45    46    50    51    57    66    69    71    72    44    47    49    56  
   47    48    52    53    58    54    55    49    45    69    71    72    73  
   46    50    51    57    60    71    49    56  
   50    51    57    49  
   48    52    53    58    59    54    55    71    72    73  
   52    53    58    54    55    72  
   56    50    57    60    64    66    67    69    70    71    72    73  
   51    57    60    61    62    66    56  
   57    60    56  
   53    58    59    54    55    72  
   58    59    54  
   55    58    72  
    0  
   57    60    61    62    64    65    66    67    68    69    71    72  
   60    61    62    63    64    66    67    71  
   59  
    0  
   61    62    63    64    65    66  
   62    63    64  
   63    64    65    66    67  
   64    65    66  
   65    66    67    68    69  
   66    67  
   67    68    69    70    71  
   68    69    70    71    72  
   69    70    71  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   42   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   43   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    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   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    52   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.510
   38    41   320.000  1.410
   40    43   469.000  1.400
   40    44   469.000  1.400
   43    45   469.000  1.400
   43    49   490.000  1.398
   45    46   367.000  1.080
   45    50   469.000  1.400
   50    51   367.000  1.080
   50    57   469.000  1.400
   57    60   469.000  1.400
   57    56   490.000  1.398
   60    61   367.000  1.080
   60    62   469.000  1.400
   62    63   367.000  1.080
   62    64   469.000  1.400
   64    65   367.000  1.080
   64    66   469.000  1.400
   66    67   469.000  1.400
   66    56   490.000  1.398
   67    68   367.000  1.080
   67    69   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   469.000  1.400
   71    49   490.000  1.398
   72    73   367.000  1.080
   72    44   469.000  1.400
   44    47   317.000  1.510
   47    48   340.000  1.090
   47    52   268.000  1.529
   47    54   320.000  1.410
   52    53   340.000  1.090
   52    58   320.000  1.410
   58    59   553.000  0.945
   54    55   553.000  0.945
   49    56   490.000  1.398
   41    42   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    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    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    52    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    70.00000  112.17500
   33    38    41    50.00000  109.50000
   33    52    47    58.35000  112.70000
   33    52    53    37.50000  110.70000
   33    52    58    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    43    70.00000  120.00000
   38    40    44    70.00000  120.00000
   38    41    42    55.00000  108.50000
   40    38    39    35.00000  109.50000
   40    43    45    63.00000  120.00000
   40    43    49    70.00000  112.88000
   40    44    72    63.00000  120.00000
   40    44    47    70.00000  120.00000
   43    45    46    35.00000  120.00000
   43    45    50    63.00000  120.00000
   43    49    71    60.00000  130.80000
   43    49    56    60.00000  130.80000
   45    50    51    35.00000  120.00000
   45    50    57    63.00000  120.00000
   50    45    46    35.00000  120.00000
   50    57    60    63.00000  120.00000
   50    57    56    70.00000  112.88000
   57    50    51    35.00000  120.00000
   57    60    61    35.00000  120.00000
   57    60    62    63.00000  120.00000
   57    56    66    60.00000  130.80000
   57    56    49    60.00000  130.80000
   60    62    63    35.00000  120.00000
   60    62    64    63.00000  120.00000
   62    60    61    35.00000  120.00000
   62    64    65    35.00000  120.00000
   62    64    66    63.00000  120.00000
   64    62    63    35.00000  120.00000
   64    66    67    63.00000  120.00000
   64    66    56    70.00000  112.88000
   66    64    65    35.00000  120.00000
   66    67    68    35.00000  120.00000
   66    67    69    63.00000  120.00000
   66    56    49    60.00000  130.80000
   67    69    70    35.00000  120.00000
   67    69    71    63.00000  120.00000
   69    67    68    35.00000  120.00000
   69    71    72    63.00000  120.00000
   69    71    49    70.00000  112.88000
   71    69    70    35.00000  120.00000
   71    72    73    35.00000  120.00000
   71    72    44    63.00000  120.00000
   71    49    56    60.00000  130.80000
   72    44    47    70.00000  120.00000
   44    40    43    63.00000  120.00000
   44    72    73    35.00000  120.00000
   44    47    48    35.00000  109.50000
   44    47    52    70.00000  112.17500
   44    47    54    90.00000  112.51600
   47    52    53    37.50000  110.70000
   47    52    58    50.00000  109.50000
   47    54    55    55.00000  108.50000
   52    33    34    37.50000  110.70000
   52    33    38    58.35000  112.70000
   52    47    48    37.50000  110.70000
   52    58    59    55.00000  108.50000
   58    52    53    35.00000  109.50000
   54    47    48    35.00000  109.50000
   54    47    52    50.00000  109.50000
   49    43    45    70.00000  112.88000
   49    71    72    70.00000  112.88000
   56    57    60    70.00000  112.88000
   56    66    67    70.00000  112.88000
   41    38    39    35.00000  109.50000
   41    38    40    90.00000  112.51600
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    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   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   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    38    39   0.15000  1.0 3.0
   29    33    38    40   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    52    47   0.44750  1.0 1.0
   29    33    52    47  -0.17800 -1.0 2.0
   29    33    52    47   0.20200  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    58   0.56750  1.0 1.0
   29    33    52    58  -0.07550 -1.0 2.0
   29    33    52    58   0.20000  1.0 3.0
   33    38    40    43   0.04150 -1.0 2.0
   33    38    40    44   0.04150 -1.0 2.0
   33    38    41    42  -0.11600  1.0 1.0
   33    38    41    42  -0.09450 -1.0 2.0
   33    38    41    42   0.21250  1.0 3.0
   33    52    58    59  -0.11600  1.0 1.0
   33    52    58    59  -0.09450 -1.0 2.0
   33    52    58    59   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.43200  1.0 3.0
   34    33    38    41   0.23400  1.0 3.0
   34    33    52    47   0.15000  1.0 3.0
   34    33    52    53   0.15000  1.0 3.0
   34    33    52    58   0.23400  1.0 3.0
   38    33    52    47   0.56750  1.0 1.0
   38    33    52    47  -0.07550 -1.0 2.0
   38    33    52    47   0.20000  1.0 3.0
   38    33    52    53   0.15000  1.0 3.0
   38    33    52    58   0.86500  1.0 1.0
   38    33    52    58  -0.17500 -1.0 2.0
   38    33    52    58   0.20800  1.0 3.0
   38    40    43    45   3.62500 -1.0 2.0
   38    40    43    49   3.62500 -1.0 2.0
   38    40    44    72   3.62500 -1.0 2.0
   38    40   -44    47   3.62500 -1.0 2.0
   39    38    40    43   0.00000  1.0 1.0
   39    38    40    44   0.00000  1.0 1.0
   39    38    41    42   0.19450  1.0 3.0
   40    38    41    42   0.31900  1.0 1.0
   40    38    41    42  -0.11800 -1.0 2.0
   40    38    41    42   0.38750  1.0 3.0
   40    43    45    46   3.62500 -1.0 2.0
   40    43    45    50   3.62500 -1.0 2.0
   40    43    49    71   3.62500 -1.0 2.0
   40    43    49    56   3.62500 -1.0 2.0
   40    44    47    48   0.00000  1.0 1.0
   40    44    47    52   0.04150 -1.0 2.0
   40    44    47    54   0.14300 -1.0 2.0
   40    44    47    54   0.00300  1.0 3.0
   43    40    44    72   3.62500 -1.0 2.0
   43    40    44    47   3.62500 -1.0 2.0
   43    45    50    51   3.62500 -1.0 2.0
   43    45    50    57   3.62500 -1.0 2.0
   43    49   -56    57   3.62500 -1.0 2.0
   43    49    56    66   3.62500 -1.0 2.0
   45    43    49    71   3.62500 -1.0 2.0
   45    43    49    56   3.62500 -1.0 2.0
   45    50    57    60   3.62500 -1.0 2.0
   45    50   -57    56   3.62500 -1.0 2.0
   46    45    50    51   3.62500 -1.0 2.0
   46    45    50    57   3.62500 -1.0 2.0
   50    57    60    61   3.62500 -1.0 2.0
   50    57    60    62   3.62500 -1.0 2.0
   50    57    56    66   3.62500 -1.0 2.0
   50    57    56    49   3.62500 -1.0 2.0
   51    50    57    60   3.62500 -1.0 2.0
   51    50    57    56   3.62500 -1.0 2.0
   57    60    62    63   3.62500 -1.0 2.0
   57    60    62    64   3.62500 -1.0 2.0
   60    57    56    66   3.62500 -1.0 2.0
   60    57    56    49   3.62500 -1.0 2.0
   60    62    64    65   3.62500 -1.0 2.0
   60    62   -64    66   3.62500 -1.0 2.0
   61    60    62    63   3.62500 -1.0 2.0
   61    60    62    64   3.62500 -1.0 2.0
   62    64    66    67   3.62500 -1.0 2.0
   62    64    66    56   3.62500 -1.0 2.0
   63    62    64    65   3.62500 -1.0 2.0
   63    62    64    66   3.62500 -1.0 2.0
   64    66    67    68   3.62500 -1.0 2.0
   64    66    67    69   3.62500 -1.0 2.0
   64    66   -56    57   3.62500 -1.0 2.0
   64    66    56    49   3.62500 -1.0 2.0
   65    64    66    67   3.62500 -1.0 2.0
   65    64    66    56   3.62500 -1.0 2.0
   66    67    69    70   3.62500 -1.0 2.0
   66    67    69    71   3.62500 -1.0 2.0
   67    66    56    57   3.62500 -1.0 2.0
   67    66    56    49   3.62500 -1.0 2.0
   67    69    71    72   3.62500 -1.0 2.0
   67    69   -71    49   3.62500 -1.0 2.0
   68    67    69    70   3.62500 -1.0 2.0
   68    67    69    71   3.62500 -1.0 2.0
   69    71    72    73   3.62500 -1.0 2.0
   69    71    72    44   3.62500 -1.0 2.0
   69    71    49    43   3.62500 -1.0 2.0
   69    71    49    56   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    49   3.62500 -1.0 2.0
   71    72   -44    40   3.62500 -1.0 2.0
   71    72    44    47   3.62500 -1.0 2.0
   71    49    56    57   3.62500 -1.0 2.0
   71    49   -56    66   3.62500 -1.0 2.0
   72    71   -49    43   3.62500 -1.0 2.0
   72    71    49    56   3.62500 -1.0 2.0
   72    44    47    48   0.00000  1.0 1.0
   72    44    47    52   0.04150 -1.0 2.0
   72    44    47    54   0.14300 -1.0 2.0
   72    44    47    54   0.00300  1.0 3.0
   73    72    44    40   3.62500 -1.0 2.0
   73    72    44    47   3.62500 -1.0 2.0
   44    40    43    45   3.62500 -1.0 2.0
   44    40    43    49   3.62500 -1.0 2.0
   44    47   -52    33  -0.03700  1.0 1.0
   44    47   -52    33   0.37200 -1.0 2.0
   44    47   -52    33  -0.47300  1.0 3.0
   44    47    52    53   0.43200  1.0 3.0
   44    47    52    58   1.13150  1.0 1.0
   44    47    52    58  -1.01400 -1.0 2.0
   44    47    54    55   0.31900  1.0 1.0
   44    47    54    55  -0.11800 -1.0 2.0
   44    47    54    55   0.38750  1.0 3.0
   47    52    58    59  -0.11600  1.0 1.0
   47    52    58    59  -0.09450 -1.0 2.0
   47    52    58    59   0.21250  1.0 3.0
   48    47    52    33   0.15000  1.0 3.0
   48    47    52    53   0.15000  1.0 3.0
   48    47    52    58   0.23400  1.0 3.0
   48    47    54    55   0.19450  1.0 3.0
   52    33    38    39   0.15000  1.0 3.0
   52    33   -38    40  -0.03700  1.0 1.0
   52    33   -38    40   0.37200 -1.0 2.0
   52    33   -38    40  -0.47300  1.0 3.0
   52    33    38    41   0.86500  1.0 1.0
   52    33    38    41  -0.17500 -1.0 2.0
   52    33    38    41   0.20800  1.0 3.0
   52    47    54    55  -0.11600  1.0 1.0
   52    47    54    55  -0.09450 -1.0 2.0
   52    47    54    55   0.21250  1.0 3.0
   53    52    58    59   0.19450  1.0 3.0
   54    47    52    33   0.86500  1.0 1.0
   54    47    52    33  -0.17500 -1.0 2.0
   54    47    52    33   0.20800  1.0 3.0
   54    47    52    53   0.23400  1.0 3.0
   54    47    52    58   3.75450  1.0 1.0
   49    43    45    46   3.62500 -1.0 2.0
   49    43   -45    50   3.62500 -1.0 2.0
   49    71    72    73   3.62500 -1.0 2.0
   49    71   -72    44   3.62500 -1.0 2.0
   56    57    60    61   3.62500 -1.0 2.0
   56    57   -60    62   3.62500 -1.0 2.0
   56    66    67    68   3.62500 -1.0 2.0
   56    66   -67    69   3.62500 -1.0 2.0
   41    38    40    43   0.14300 -1.0 2.0
   41    38    40    43   0.00300  1.0 3.0
   41    38    40    44   0.14300 -1.0 2.0
   41    38    40    44   0.00300  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
   37    30    35    36  10.50000 -1.0 2.0
   43    44    40    38   4.00000 -1.0 2.0
   45    49    43    40   4.00000 -1.0 2.0
   50    46    45    43   1.10000 -1.0 2.0
   57    51    50    45   1.10000 -1.0 2.0
   60    56    57    50   4.00000 -1.0 2.0
   62    61    60    57   1.10000 -1.0 2.0
   64    63    62    60   1.10000 -1.0 2.0
   66    65    64    62   1.10000 -1.0 2.0
   67    56    66    64   4.00000 -1.0 2.0
   69    68    67    66   1.10000 -1.0 2.0
   71    70    69    67   1.10000 -1.0 2.0
   72    49    71    69   4.00000 -1.0 2.0
   44    73    72    71   1.10000 -1.0 2.0
   72    47    44    40   4.00000 -1.0 2.0
   71    56    49    43   4.00000 -1.0 2.0
   66    49    56    57   4.00000 -1.0 2.0
END
