* LIGAND DATABASE FILE (OPLS2005)
*
001      76    79    133    226     402
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02079    89.56437   -69.87605
    3     1 S   H    _H1_     3     1.02062    91.03560    38.87007
    4     1 S   H    _H2_     4     1.02130    32.89097   163.13297
    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     1.83504    97.74242  -178.13722
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CO4  _C18    37     1.52198   106.89689    59.99240
   38    37 S   O    _O23    38     1.22858   122.56270   -94.36561
   39    33 S   CT   _C22    49     1.53415   114.33760  -177.64540
   40    39 S   HC   _H36    50     1.09479   108.73212   174.94011
   41    33 S   OH   _O30    75     1.42559   110.37139   -55.16737
   42    41 S   HO   _H42    76     0.97009   106.52667    55.54456
   43    37 S   CA   _C9_    39     1.48278   117.60256    83.84196
   44    39 S   CM   _C20    51     1.50068   113.29898    57.68473
   45    43 S   CA   _C5_    40     1.40031   119.17680  -165.26653
   46    45 S   HA   _H33    41     1.08796   120.94152    -0.96408
   47    44 S   CO4  _C17    52     1.49623   115.93787    89.03272
   48    47 S   O    _O22    53     1.22651   119.86594    -0.28939
   49    45 S   CA   _C13    42     1.39414   120.07787   178.32252
   50    47 S   CA   _C10    54     1.47257   118.60212   179.65565
   51    49 S   CA   _C7_    43     1.39331   120.09693    -0.02798
   52    51 S   HA   _H35    44     1.08742   119.85223  -179.96574
   53    50 S   CA   _C8_    55     1.39225   120.49628     0.33455
   54    49 S   OH   _O26    73     1.36149   119.97528  -179.77883
   55    54 S   HO   _H38    74     0.97013   110.25587    -0.00000
   56    51 S   CA   _C15    45     1.39553   120.09674     0.32984
   57    53 S   CA   _C4_    56     1.40168   119.98784   180.00000
   58    57 S   HA   _H32    57     1.08688   120.93275  -179.97202
   59    53 S   CO4  _C16    66     1.47030   120.37194     0.02798
   60    59 S   O    _O21    67     1.22626   120.91297   179.80617
   61    43 S   CA   _C11    46     1.39908   120.92759    13.60897
   62    57 S   CA   _C12    58     1.39425   119.99982     0.02798
   63    44 S   CM   _C21    68     1.34579   123.66682   -90.70522
   64    56 S   OH   _O28    71     1.36290   116.99960   179.14912
   65    64 S   HO   _H40    72     0.96994   110.15432   179.95577
   66    61 S   CO4  _C19    47     1.48305   120.96328     3.10709
   67    66 S   O    _O24    48     1.22785   119.65060  -173.82873
   68    62 S   CA   _C6_    59     1.39265   120.08637    -0.04423
   69    68 S   HA   _H34    60     1.08733   119.96100  -180.00000
   70    62 S   OH   _O25    64     1.36117   119.97635   180.00000
   71    70 S   HO   _H37    65     0.97011   110.26074     0.00000
   72    63 S   OH   _O29    69     1.38195   121.27333    -0.08393
   73    72 S   HO   _H41    70     0.96196   109.73269  -179.78971
   74    50 S   CA   _C14    61     1.40067   119.66273  -179.68410
   75    74 S   OH   _O27    62     1.36399   122.83087     0.02798
   76    75 S   HO   _H39    63     0.96961   110.08749    -0.00000
  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
  14   2   1   1  13   5  15   7   4   1  10  13   9   4  11   4
   7  12   8   4  11   2   1   5  10   4   6   2   4   6   3   2
   1   1   1   6   3   2   1   1   1   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    43    66    39    40    44    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    45    61    66    67    39    40    44    47    63    41    42  
   35    36  
   36  
    0  
   38    43    45    46    49    56    61    66    39    40    44    41    42  
   43    45    61    39    41  
   40    44    47    48    50    59    63    72    41    42    43    56    61    66    67  
   44    47    63    41    61    66    67  
   42    43    44    66  
    0  
   45    46    49    51    56    61    66    67    64    54  
   47    48    50    53    74    59    60    63    72    73    61    66    67  
   46    49    51    52    56    61    66    54    55  
   49    51    61    54  
   48    50    53    57    68    74    75    59    63    72    66  
   50    53    74    63  
   51    52    56    61    64    54    55  
   53    57    58    62    68    69    74    75    76    59    60    63  
   52    56    61    66    64    65    54    55  
   56    61    64    54  
   57    58    62    68    74    75    70    59    60    63    72  
   55    56  
    0  
   61    66    67    64    65  
   58    62    68    69    74    70    71    59    60    63  
   62    68    70    59  
   60    63    72    73    62    74  
   63    72  
   66    67    64    65  
   68    69    74    75    70    71  
   72    73    66  
   65    66  
    0  
   67  
    0  
   69    74    75    76    70    71  
   74    75    70  
   71    74  
    0  
   73  
    0  
   75    76  
   76  
    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   0.432500   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   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  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.7500   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   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   64   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   75   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   76   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    39   268.000  1.529
   33    41   320.000  1.410
   37    38   570.000  1.229
   37    43   310.000  1.470
   43    45   469.000  1.400
   43    61   469.000  1.400
   45    46   367.000  1.080
   45    49   469.000  1.400
   49    51   469.000  1.400
   49    54   450.000  1.364
   51    52   367.000  1.080
   51    56   469.000  1.400
   56    61   469.000  1.400
   56    64   450.000  1.364
   61    66   310.000  1.470
   66    67   570.000  1.229
   66    39   317.000  1.522
   39    40   340.000  1.090
   39    44   317.000  1.510
   44    47   320.000  1.462
   44    63   549.000  1.340
   47    48   570.000  1.229
   47    50   310.000  1.470
   50    53   469.000  1.400
   50    74   469.000  1.400
   53    57   469.000  1.400
   53    59   310.000  1.470
   57    58   367.000  1.080
   57    62   469.000  1.400
   62    68   469.000  1.400
   62    70   450.000  1.364
   68    69   367.000  1.080
   68    74   469.000  1.400
   74    75   450.000  1.364
   75    76   553.000  0.945
   70    71   553.000  0.945
   59    60   570.000  1.229
   59    63   320.000  1.462
   63    72   510.000  1.338
   72    73   553.000  0.945
   64    65   553.000  0.945
   54    55   553.000  0.945
   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    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    39    75.00000  111.63000
   29    33    41    85.00000  114.68000
   33    37    38    80.00000  120.40000
   33    37    43    65.00000  115.47100
   33    39    66    63.00000  111.10000
   33    39    40    37.50000  110.70000
   33    39    44    70.00000  112.02700
   33    41    42    55.00000  108.50000
   37    43    45    60.00000  119.52600
   37    43    61    60.00000  119.52600
   43    37    38    75.00000  123.78400
   43    45    46    35.00000  120.00000
   43    45    49    63.00000  120.00000
   43    61    56    63.00000  120.00000
   43    61    66    60.00000  119.52600
   45    49    51    63.00000  120.00000
   45    49    54    70.00000  120.00000
   49    45    46    35.00000  120.00000
   49    51    52    35.00000  120.00000
   49    51    56    63.00000  120.00000
   49    54    55    35.00000  113.00000
   51    56    61    63.00000  120.00000
   51    56    64    70.00000  120.00000
   56    51    52    35.00000  120.00000
   56    61    66    60.00000  119.52600
   56    64    65    35.00000  113.00000
   61    43    45    63.00000  120.00000
   61    66    67    75.00000  123.78400
   61    66    39    65.00000  115.47100
   66    39    40    35.00000  109.50000
   66    39    44    70.00000  109.06800
   39    33    37    63.00000  111.10000
   39    66    67    80.00000  120.40000
   39    44    47    65.00000  116.34900
   39    44    63    70.00000  124.00000
   44    39    40    35.00000  109.50000
   44    47    48    80.00000  123.72100
   44    47    50    65.00000  117.02400
   44    63    59    65.00000  118.96000
   44    63    72    80.00000  121.38400
   47    50    53    60.00000  119.52600
   47    50    74    60.00000  119.52600
   50    47    48    75.00000  123.78400
   50    53    57    63.00000  120.00000
   50    53    59    60.00000  119.52600
   50    74    68    63.00000  120.00000
   50    74    75    70.00000  120.00000
   53    57    58    35.00000  120.00000
   53    57    62    63.00000  120.00000
   53    59    60    75.00000  123.78400
   53    59    63    65.00000  117.02400
   57    62    68    63.00000  120.00000
   57    62    70    70.00000  120.00000
   62    57    58    35.00000  120.00000
   62    68    69    35.00000  120.00000
   62    68    74    63.00000  120.00000
   62    70    71    35.00000  113.00000
   68    74    75    70.00000  120.00000
   74    50    53    63.00000  120.00000
   74    68    69    35.00000  120.00000
   74    75    76    35.00000  113.00000
   70    62    68    70.00000  120.00000
   59    53    57    60.00000  119.52600
   59    63    72    85.00000  116.28000
   63    44    47    65.00000  118.96000
   63    59    60    80.00000  123.72100
   63    72    73    70.00000  107.45700
   64    56    61    70.00000  120.00000
   54    49    51    70.00000  120.00000
   41    33    37    90.00000  109.61100
   41    33    39    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    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   0.13850  1.0 1.0
   24    29    33    41  -1.34450 -1.0 2.0
   24    29    33    41   0.57400  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    43   0.65300  1.0 1.0
   29    33    37    43  -0.03850 -1.0 2.0
   29    33    37    43   0.33900  1.0 3.0
   29    33    39    66   0.56750  1.0 1.0
   29    33    39    66  -0.07550 -1.0 2.0
   29    33    39    66   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   29    33    41    42   0.35600  1.0 1.0
   29    33    41    42  -0.10750 -1.0 2.0
   29    33    41    42  -0.54400  1.0 3.0
   33    37    43    45   2.26350  1.0 1.0
   33    37    43    45   0.76750 -1.0 2.0
   33    37    43    45   0.22500  1.0 3.0
   33    37    43    61   2.26350  1.0 1.0
   33    37    43    61   0.76750 -1.0 2.0
   33    37    43    61   0.22500  1.0 3.0
   33    39    44    47   0.09700  1.0 1.0
   33    39    44    47   0.15600 -1.0 2.0
   33    39    44    47  -0.50800  1.0 3.0
   33    39    44    63   0.09850  1.0 1.0
   33    39    44    63   0.15250 -1.0 2.0
   33    39    44    63  -0.50650  1.0 3.0
   37    33    39    66   0.11950  1.0 1.0
   37    33    39    66   0.20300 -1.0 2.0
   37    33    39    66  -0.70800  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    44  -0.98800  1.0 1.0
   37    33    39    44   0.48800 -1.0 2.0
   37    33    39    44   0.76800  1.0 3.0
   37    33    41    42   0.91850  1.0 1.0
   37    33    41    42   0.57950  1.0 3.0
   37    43    45    46   3.62500 -1.0 2.0
   37    43    45    49   3.62500 -1.0 2.0
   37    43    61    56   3.62500 -1.0 2.0
   37    43   -61    66   3.62500 -1.0 2.0
   38    37    43    45   1.05000 -1.0 2.0
   38    37    43    61   1.05000 -1.0 2.0
   43    45    49    51   3.62500 -1.0 2.0
   43    45    49    54   3.62500 -1.0 2.0
   43    61    66    67   1.05000 -1.0 2.0
   43    61    66    39   2.26350  1.0 1.0
   43    61    66    39   0.76750 -1.0 2.0
   43    61    66    39   0.22500  1.0 3.0
   45    43    61    56   3.62500 -1.0 2.0
   45    43    61    66   3.62500 -1.0 2.0
   45    49    51    52   3.62500 -1.0 2.0
   45    49   -51    56   3.62500 -1.0 2.0
   45    49    54    55   0.84100 -1.0 2.0
   46    45    49    51   3.62500 -1.0 2.0
   46    45    49    54   3.62500 -1.0 2.0
   49    51    56    61   3.62500 -1.0 2.0
   49    51    56    64   3.62500 -1.0 2.0
   51    49    54    55   0.84100 -1.0 2.0
   51    56   -61    43   3.62500 -1.0 2.0
   51    56    61    66   3.62500 -1.0 2.0
   51    56    64    65   0.84100 -1.0 2.0
   52    51    56    61   3.62500 -1.0 2.0
   52    51    56    64   3.62500 -1.0 2.0
   56    61    66    67   1.05000 -1.0 2.0
   56    61    66    39   2.26350  1.0 1.0
   56    61    66    39   0.76750 -1.0 2.0
   56    61    66    39   0.22500  1.0 3.0
   61    43    45    46   3.62500 -1.0 2.0
   61    43   -45    49   3.62500 -1.0 2.0
   61    56    64    65   0.84100 -1.0 2.0
   61    66   -39    33   0.05850 -1.0 2.0
   61    66   -39    33   0.17250  1.0 3.0
   61    66    39    40   0.00000  1.0 1.0
   61    66    39    44   0.65300  1.0 1.0
   61    66    39    44  -0.03850 -1.0 2.0
   61    66    39    44   0.33900  1.0 3.0
   66    39    44    47   0.09700  1.0 1.0
   66    39    44    47   0.15600 -1.0 2.0
   66    39    44    47  -0.50800  1.0 3.0
   66    39    44    63  -0.51250  1.0 1.0
   66    39    44    63  -0.88800 -1.0 2.0
   66    39    44    63   0.08850  1.0 3.0
   67    66    39    33   0.30150 -1.0 2.0
   67    66    39    40   0.00000  1.0 1.0
   67    66    39    44   0.30150 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33   -37    43   0.05850 -1.0 2.0
   39    33   -37    43   0.17250  1.0 3.0
   39    33    41    42  -0.11600  1.0 1.0
   39    33    41    42  -0.09450 -1.0 2.0
   39    33    41    42   0.21250  1.0 3.0
   39    44    47    48  -0.64400  1.0 1.0
   39    44    47    48   0.26850 -1.0 2.0
   39    44    47    50   1.50000 -1.0 2.0
   39    44    63    59   7.00000 -1.0 2.0
   39    44    63    72   7.00000 -1.0 2.0
   40    39    44    47   0.15000  1.0 3.0
   40    39    44    63   0.00000  1.0 1.0
   44    47    50    53  -0.11500  1.0 1.0
   44    47    50    53   1.10450 -1.0 2.0
   44    47    50    53  -0.48050  1.0 3.0
   44    47    50    74  -0.11500  1.0 1.0
   44    47    50    74   1.10450 -1.0 2.0
   44    47    50    74  -0.48050  1.0 3.0
   44    63    72    73  -0.66100  1.0 1.0
   44    63    72    73   1.20850 -1.0 2.0
   44    63    72    73  -0.36000  1.0 3.0
   47    44    63    59   7.00000 -1.0 2.0
   47    44    63    72   7.00000 -1.0 2.0
   47    50    53    57   3.62500 -1.0 2.0
   47    50   -53    59   3.62500 -1.0 2.0
   47    50    74    68   3.62500 -1.0 2.0
   47    50    74    75   3.62500 -1.0 2.0
   48    47    50    53   1.05000 -1.0 2.0
   48    47    50    74   1.05000 -1.0 2.0
   50    53    57    58   3.62500 -1.0 2.0
   50    53    57    62   3.62500 -1.0 2.0
   50    53    59    60   1.05000 -1.0 2.0
   50    53    59    63  -0.11500  1.0 1.0
   50    53    59    63   1.10450 -1.0 2.0
   50    53    59    63  -0.48050  1.0 3.0
   50    74    75    76   0.84100 -1.0 2.0
   53    50    74    68   3.62500 -1.0 2.0
   53    50    74    75   3.62500 -1.0 2.0
   53    57   -62    68   3.62500 -1.0 2.0
   53    57    62    70   3.62500 -1.0 2.0
   53    59   -63    44  -1.65800  1.0 1.0
   53    59   -63    44   0.77650 -1.0 2.0
   53    59    63    72   1.50000 -1.0 2.0
   57    53    59    60   1.05000 -1.0 2.0
   57    53    59    63  -0.11500  1.0 1.0
   57    53    59    63   1.10450 -1.0 2.0
   57    53    59    63  -0.48050  1.0 3.0
   57    62    68    69   3.62500 -1.0 2.0
   57    62    68    74   3.62500 -1.0 2.0
   57    62    70    71   0.84100 -1.0 2.0
   58    57    62    68   3.62500 -1.0 2.0
   58    57    62    70   3.62500 -1.0 2.0
   62    68   -74    50   3.62500 -1.0 2.0
   62    68    74    75   3.62500 -1.0 2.0
   68    62    70    71   0.84100 -1.0 2.0
   68    74    75    76   0.84100 -1.0 2.0
   69    68    74    50   3.62500 -1.0 2.0
   69    68    74    75   3.62500 -1.0 2.0
   74    50   -53    57   3.62500 -1.0 2.0
   74    50    53    59   3.62500 -1.0 2.0
   70    62    68    69   3.62500 -1.0 2.0
   70    62    68    74   3.62500 -1.0 2.0
   59    53    57    58   3.62500 -1.0 2.0
   59    53    57    62   3.62500 -1.0 2.0
   59    63    72    73   2.00000 -1.0 2.0
   60    59    63    44   1.00000 -1.0 2.0
   60    59    63    72  -0.11900  1.0 1.0
   60    59    63    72   0.76850 -1.0 2.0
   60    59    63    72   0.14100  1.0 3.0
   63    44    47    48   1.00000 -1.0 2.0
   63    44   -47    50  -1.65800  1.0 1.0
   63    44   -47    50   0.77650 -1.0 2.0
   64    56    61    43   3.62500 -1.0 2.0
   64    56    61    66   3.62500 -1.0 2.0
   54    49    51    52   3.62500 -1.0 2.0
   54    49    51    56   3.62500 -1.0 2.0
   41    33    37    38   0.30150 -1.0 2.0
   41    33    37    43   0.65300  1.0 1.0
   41    33    37    43  -0.03850 -1.0 2.0
   41    33    37    43   0.33900  1.0 3.0
   41    33    39    66  -0.09450  1.0 1.0
   41    33    39    66  -1.12950 -1.0 2.0
   41    33    39    66   0.54000  1.0 3.0
   41    33    39    40   0.23400  1.0 3.0
   41    33    39    44   1.05650  1.0 1.0
   41    33    39    44   0.15600 -1.0 2.0
   41    33    39    44   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    43    37    38  10.50000 -1.0 2.0
   45    61    43    37   4.00000 -1.0 2.0
   49    46    45    43   1.10000 -1.0 2.0
   51    54    49    45   4.00000 -1.0 2.0
   56    52    51    49   1.10000 -1.0 2.0
   61    64    56    51   4.00000 -1.0 2.0
   56    66    61    43   4.00000 -1.0 2.0
   61    39    66    67  10.50000 -1.0 2.0
   39    47    44    63   1.10000 -1.0 2.0
   44    50    47    48  10.50000 -1.0 2.0
   53    74    50    47   4.00000 -1.0 2.0
   57    59    53    50   4.00000 -1.0 2.0
   62    58    57    53   1.10000 -1.0 2.0
   68    70    62    57   4.00000 -1.0 2.0
   74    69    68    62   1.10000 -1.0 2.0
   68    75    74    50   4.00000 -1.0 2.0
   53    63    59    60  10.50000 -1.0 2.0
   59    72    63    44   1.10000 -1.0 2.0
END
