* LIGAND DATABASE FILE (OPLS2005)
*
001      75    78    130    221     392
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02025   103.81333   -37.19368
    3     1 S   H    _H1_     3     1.02017    70.24235    67.99032
    4     1 S   H    _H2_     4     1.02144    43.04598  -139.86368
    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     1.04724   118.98282     8.58904
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08448   106.40438   -11.12153
   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     1.08733   110.25787    59.12705
   26    24 S   HC   HB22    34     1.08755   109.66015   178.75008
   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     1.86563    98.14636  -178.19279
   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   CA   _C11    37     1.54180   114.93028  -179.98022
   38    33 S   CO4  _C20    57     1.53088   102.72701    62.25590
   39    38 S   O    _O24    58     1.23053   121.85798    73.81794
   40    37 S   CA   _C8_    38     1.40042   123.11928  -174.37475
   41    38 S   CA   _C10    59     1.47665   118.67953  -105.03263
   42    40 S   CA   _C9_    39     1.39575   119.91421   179.88636
   43    41 S   CA   _C7_    60     1.40248   120.78972    -6.86279
   44    42 S   CA   _C13    40     1.39937   120.04418     0.01978
   45    42 S   CO4  _C19    48     1.47528   120.45666   179.97202
   46    45 S   O    _O23    49     1.22474   123.00374   179.97202
   47    43 S   CA   _C4_    61     1.41560   116.51410   179.74821
   48    47 S   HA   _H32    62     1.08927   120.93319  -179.79826
   49    43 S   CMA  _C17    71     1.51245   123.28062    -0.60587
   50    49 S   OM   _O21    72     1.26919   120.02262  -175.55759
   51    44 S   CA   _C6_    41     1.39571   119.85978     0.00000
   52    51 S   HA   _H34    42     1.08828   119.96454  -179.88636
   53    44 S   OH   _O26    46     1.36296   122.77023   179.97202
   54    53 S   HO   _H37    47     0.96922   110.15818    -0.04846
   55    45 S   CM   _C16    50     1.47727   117.62187    -0.02798
   56    55 S   HC   _H35    51     1.08523   116.93328   179.95154
   57    47 S   CA   _C12    63     1.39843   122.14723     0.18452
   58    33 S   CM   _C22    73     1.51735   106.19144   -57.27703
   59    37 S   CA   _C15    43     1.39571   117.00116     5.52513
   60    55 S   CM   _C21    52     1.33476   122.24862     0.05234
   61    57 S   CA   _C5_    64     1.38587   119.92460     0.01978
   62    61 S   HA   _H33    65     1.08707   120.11059  -179.94766
   63    57 S   OH   _O25    69     1.36150   119.99296  -179.97202
   64    63 S   HO   _H36    70     0.97030   110.22328    -0.03956
   65    58 S   OH   _O30    74     1.39956   112.19808   -73.68738
   66    65 S   HO   _H41    75     0.95548   108.69601  -179.34091
   67    59 S   OH   _O28    44     1.36402   120.96013    -0.01978
   68    67 S   HO   _H39    45     0.97032   110.09446  -179.92338
   69    40 S   CO4  _C18    53     1.47656   119.49859    -0.12667
   70    69 S   O    _O22    54     1.22530   123.04134     0.01978
   71    60 S   OH   _O29    55     1.38101   120.38890  -180.00000
   72    71 S   HO   _H40    56     0.96250   109.78602   179.97202
   73    41 S   CA   _C14    66     1.40706   117.77996   173.21360
   74    73 S   OH   _O27    67     1.36487   123.17175    -0.54751
   75    74 S   HO   _H38    68     0.96929   110.01523     0.69464
  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
  17   2   1   1  18  12   4  14  12  13  11  10   8   3  10   4
   6   2   6   3   2   1   6   3   6   3   3   4   6   3   2   1
   1   1   1   1   3   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    38    58    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    59    38    39    41    49    58    65  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    42    51    59    67    69    38    39    41    43    73    49    50    58    65    66  
   35    36  
   36  
    0  
   40    42    44    51    52    59    67    68    45    60    69    70    38    39    41    49    58    65  
   39    41    43    47    61    73    74    49    58    65    40    59  
   41    43    73    58  
   42    44    51    59    67    53    45    46    55    60    69    70    71    58  
   43    47    48    57    61    62    73    74    75    49    50    58  
   44    51    52    59    53    54    45    46    55    56    60    69    70  
   47    48    57    61    73    74    63    49    50    58    65  
   51    52    59    67    53    54    45    46    55    69  
   46    55    56    60    69    71    51    53  
   55    56    60  
   48    57    61    62    73    63    64    49    50    58  
   57    61    63    49  
   50    58    65    66    57    73  
   58    65  
   52    59    67    68    53    54  
   59    67    53  
   54    59  
    0  
   56    60    69    70    71    72  
   60    69    71  
   61    62    73    74    63    64  
   65    66    59  
   67    68    69  
   69    70    71    72  
   62    73    74    75    63    64  
   73    74    63  
   64    73  
    0  
   66  
    0  
   68  
    0  
   70    71    72  
   71  
   72  
    0  
   74    75  
   75  
    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   0.282500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   45   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   50   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   58   3.5500   0.0760  -0.552400   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   67   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   74   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   75   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  1.510
   33    38   317.000  1.522
   33    58   317.000  1.510
   37    40   469.000  1.400
   37    59   469.000  1.400
   40    42   469.000  1.400
   40    69   310.000  1.470
   42    44   469.000  1.400
   42    45   310.000  1.470
   44    51   469.000  1.400
   44    53   450.000  1.364
   51    52   367.000  1.080
   51    59   469.000  1.400
   59    67   450.000  1.364
   67    68   553.000  0.945
   53    54   553.000  0.945
   45    46   570.000  1.229
   45    55   320.000  1.462
   55    56   340.000  1.080
   55    60   549.000  1.340
   60    69   320.000  1.462
   60    71   510.000  1.338
   69    70   570.000  1.229
   71    72   553.000  0.945
   38    39   570.000  1.229
   38    41   310.000  1.470
   41    43   469.000  1.400
   41    73   469.000  1.400
   43    47   469.000  1.400
   43    49   320.000  1.460
   47    48   367.000  1.080
   47    57   469.000  1.400
   57    61   469.000  1.400
   57    63   450.000  1.364
   61    62   367.000  1.080
   61    73   469.000  1.400
   73    74   450.000  1.364
   74    75   553.000  0.945
   63    64   553.000  0.945
   49    50   745.000  1.250
   49    58   465.000  1.376
   58    65   510.000  1.338
   65    66   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    80.00000  109.48900
   29    33    38    75.00000  110.18000
   29    33    58    75.00000  112.20000
   33    37    40    70.00000  120.00000
   33    37    59    70.00000  120.00000
   33    38    39    80.00000  120.40000
   33    38    41    65.00000  115.47100
   33    58    49    70.00000  124.00000
   33    58    65    90.00000  109.34000
   37    40    42    63.00000  120.00000
   37    40    69    60.00000  119.52600
   37    59    51    63.00000  120.00000
   37    59    67    70.00000  120.00000
   40    42    44    63.00000  120.00000
   40    42    45    60.00000  119.52600
   40    69    60    65.00000  117.02400
   40    69    70    75.00000  123.78400
   42    44    51    63.00000  120.00000
   42    44    53    70.00000  120.00000
   42    45    46    75.00000  123.78400
   42    45    55    65.00000  117.02400
   44    51    52    35.00000  120.00000
   44    51    59    63.00000  120.00000
   44    53    54    35.00000  113.00000
   51    59    67    70.00000  120.00000
   59    37    40    63.00000  120.00000
   59    51    52    35.00000  120.00000
   59    67    68    35.00000  113.00000
   53    44    51    70.00000  120.00000
   45    42    44    60.00000  119.52600
   45    55    56    40.00000  117.72500
   45    55    60    65.00000  118.96000
   55    45    46    80.00000  123.72100
   55    60    69    65.00000  118.96000
   55    60    71    80.00000  121.38400
   60    55    56    35.00000  120.00000
   60    69    70    80.00000  123.72100
   60    71    72    70.00000  107.45700
   69    40    42    60.00000  119.52600
   71    60    69    85.00000  116.28000
   38    33    37    70.00000  110.93000
   38    41    43    60.00000  119.52600
   38    41    73    60.00000  119.52600
   41    38    39    75.00000  123.78400
   41    43    47    63.00000  120.00000
   41    43    49    60.00000  120.93500
   41    73    61    63.00000  120.00000
   41    73    74    70.00000  120.00000
   43    47    48    35.00000  120.00000
   43    47    57    63.00000  120.00000
   43    49    50    85.00000  114.86500
   43    49    58    60.00000  123.20500
   47    57    61    63.00000  120.00000
   47    57    63    70.00000  120.00000
   57    47    48    35.00000  120.00000
   57    61    62    35.00000  120.00000
   57    61    73    63.00000  120.00000
   57    63    64    35.00000  113.00000
   61    73    74    70.00000  120.00000
   73    41    43    63.00000  120.00000
   73    61    62    35.00000  120.00000
   73    74    75    35.00000  113.00000
   63    57    61    70.00000  120.00000
   49    43    47    60.00000  120.93500
   49    58    65    80.00000  121.38400
   58    33    37    70.00000  112.99600
   58    33    38    70.00000  109.06800
   58    49    50    65.00000  137.10300
   58    65    66    70.00000  107.45700
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  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  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    58  -0.62250  1.0 1.0
   24    29    33    58  -0.38450 -1.0 2.0
   24    29    33    58   0.81900  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    40  -0.16000  1.0 1.0
   29    33    37    40  -0.03200 -1.0 2.0
   29    33    37    40   0.04500  1.0 3.0
   29    33    37    59  -0.16000  1.0 1.0
   29    33    37    59  -0.03200 -1.0 2.0
   29    33    37    59   0.04500  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    38    41   0.65300  1.0 1.0
   29    33    38    41  -0.03850 -1.0 2.0
   29    33    38    41   0.33900  1.0 3.0
   29    33    58    49   0.42700  1.0 1.0
   29    33    58    49  -0.70350 -1.0 2.0
   29    33    58    49  -0.43150  1.0 3.0
   29    33    58    65   0.09700  1.0 1.0
   29    33    58    65   0.15600 -1.0 2.0
   29    33    58    65  -0.50800  1.0 3.0
   33    37    40    42   3.62500 -1.0 2.0
   33    37    40    69   3.62500 -1.0 2.0
   33    37    59    51   3.62500 -1.0 2.0
   33    37    59    67   3.62500 -1.0 2.0
   33    38    41    43   2.26350  1.0 1.0
   33    38    41    43   0.76750 -1.0 2.0
   33    38    41    43   0.22500  1.0 3.0
   33    38    41    73   2.26350  1.0 1.0
   33    38    41    73   0.76750 -1.0 2.0
   33    38    41    73   0.22500  1.0 3.0
   33    58    65    66   2.00000 -1.0 2.0
   37    33    38    39   0.30150 -1.0 2.0
   37    33    38    41   0.65300  1.0 1.0
   37    33    38    41  -0.03850 -1.0 2.0
   37    33    38    41   0.33900  1.0 3.0
   37    33    58    49   1.44450  1.0 1.0
   37    33    58    49   0.06600 -1.0 2.0
   37    33    58    49   0.29250  1.0 3.0
   37    33    58    65   0.09700  1.0 1.0
   37    33    58    65   0.15600 -1.0 2.0
   37    33    58    65  -0.50800  1.0 3.0
   37    40    42    44   3.62500 -1.0 2.0
   37    40    42    45   3.62500 -1.0 2.0
   37    40    69    60  -0.11500  1.0 1.0
   37    40    69    60   1.10450 -1.0 2.0
   37    40    69    60  -0.48050  1.0 3.0
   37    40    69    70   1.05000 -1.0 2.0
   37    59    67    68   0.84100 -1.0 2.0
   40    37    59    51   3.62500 -1.0 2.0
   40    37    59    67   3.62500 -1.0 2.0
   40    42   -44    51   3.62500 -1.0 2.0
   40    42    44    53   3.62500 -1.0 2.0
   40    42    45    46   1.05000 -1.0 2.0
   40    42    45    55  -0.11500  1.0 1.0
   40    42    45    55   1.10450 -1.0 2.0
   40    42    45    55  -0.48050  1.0 3.0
   42    40    69    60  -0.11500  1.0 1.0
   42    40    69    60   1.10450 -1.0 2.0
   42    40    69    60  -0.48050  1.0 3.0
   42    40    69    70   1.05000 -1.0 2.0
   42    44    51    52   3.62500 -1.0 2.0
   42    44    51    59   3.62500 -1.0 2.0
   42    44    53    54   0.84100 -1.0 2.0
   42    45    55    56   1.64500 -1.0 2.0
   42    45   -55    60  -1.65800  1.0 1.0
   42    45   -55    60   0.77650 -1.0 2.0
   44    42    45    46   1.05000 -1.0 2.0
   44    42    45    55  -0.11500  1.0 1.0
   44    42    45    55   1.10450 -1.0 2.0
   44    42    45    55  -0.48050  1.0 3.0
   44    51   -59    37   3.62500 -1.0 2.0
   44    51    59    67   3.62500 -1.0 2.0
   51    44    53    54   0.84100 -1.0 2.0
   51    59    67    68   0.84100 -1.0 2.0
   52    51    59    37   3.62500 -1.0 2.0
   52    51    59    67   3.62500 -1.0 2.0
   59    37   -40    42   3.62500 -1.0 2.0
   59    37    40    69   3.62500 -1.0 2.0
   53    44    51    52   3.62500 -1.0 2.0
   53    44    51    59   3.62500 -1.0 2.0
   45    42    44    51   3.62500 -1.0 2.0
   45    42    44    53   3.62500 -1.0 2.0
   45    55    60    69   7.00000 -1.0 2.0
   45    55    60    71   7.00000 -1.0 2.0
   46    45    55    56   0.00000  1.0 1.0
   46    45    55    60   1.00000 -1.0 2.0
   55    60   -69    40  -1.65800  1.0 1.0
   55    60   -69    40   0.77650 -1.0 2.0
   55    60    69    70   1.00000 -1.0 2.0
   55    60    71    72  -0.66100  1.0 1.0
   55    60    71    72   1.20850 -1.0 2.0
   55    60    71    72  -0.36000  1.0 3.0
   56    55    60    69   7.00000 -1.0 2.0
   56    55    60    71   7.00000 -1.0 2.0
   69    40    42    44   3.62500 -1.0 2.0
   69    40   -42    45   3.62500 -1.0 2.0
   69    60    71    72   2.00000 -1.0 2.0
   71    60    69    40   1.50000 -1.0 2.0
   71    60    69    70  -0.11900  1.0 1.0
   71    60    69    70   0.76850 -1.0 2.0
   71    60    69    70   0.14100  1.0 3.0
   38    33    37    40   0.04300 -1.0 2.0
   38    33    37    59   0.04300 -1.0 2.0
   38    33    58    49  -0.51250  1.0 1.0
   38    33    58    49  -0.88800 -1.0 2.0
   38    33    58    49   0.08850  1.0 3.0
   38    33    58    65   0.09700  1.0 1.0
   38    33    58    65   0.15600 -1.0 2.0
   38    33    58    65  -0.50800  1.0 3.0
   38    41    43    47   3.62500 -1.0 2.0
   38    41   -43    49   3.62500 -1.0 2.0
   38    41    73    61   3.62500 -1.0 2.0
   38    41    73    74   3.62500 -1.0 2.0
   39    38    41    43   1.05000 -1.0 2.0
   39    38    41    73   1.05000 -1.0 2.0
   41    43    47    48   3.62500 -1.0 2.0
   41    43    47    57   3.62500 -1.0 2.0
   41    43    49    50  -0.01750  1.0 1.0
   41    43    49    50  -0.32000 -1.0 2.0
   41    43    49    50   0.00600  1.0 3.0
   41    43    49    58   0.15800  1.0 1.0
   41    43    49    58   1.85350 -1.0 2.0
   41    43    49    58  -0.48700  1.0 3.0
   41    73    74    75   0.84100 -1.0 2.0
   43    41    73    61   3.62500 -1.0 2.0
   43    41    73    74   3.62500 -1.0 2.0
   43    47   -57    61   3.62500 -1.0 2.0
   43    47    57    63   3.62500 -1.0 2.0
   43    49   -58    33   7.00000 -1.0 2.0
   43    49    58    65   7.00000 -1.0 2.0
   47    43    49    50  -0.01750  1.0 1.0
   47    43    49    50  -0.32000 -1.0 2.0
   47    43    49    50   0.00600  1.0 3.0
   47    43    49    58   0.15800  1.0 1.0
   47    43    49    58   1.85350 -1.0 2.0
   47    43    49    58  -0.48700  1.0 3.0
   47    57    61    62   3.62500 -1.0 2.0
   47    57    61    73   3.62500 -1.0 2.0
   47    57    63    64   0.84100 -1.0 2.0
   48    47    57    61   3.62500 -1.0 2.0
   48    47    57    63   3.62500 -1.0 2.0
   57    61   -73    41   3.62500 -1.0 2.0
   57    61    73    74   3.62500 -1.0 2.0
   61    57    63    64   0.84100 -1.0 2.0
   61    73    74    75   0.84100 -1.0 2.0
   62    61    73    41   3.62500 -1.0 2.0
   62    61    73    74   3.62500 -1.0 2.0
   73    41   -43    47   3.62500 -1.0 2.0
   73    41    43    49   3.62500 -1.0 2.0
   63    57    61    62   3.62500 -1.0 2.0
   63    57    61    73   3.62500 -1.0 2.0
   49    43    47    48   3.62500 -1.0 2.0
   49    43    47    57   3.62500 -1.0 2.0
   49    58    65    66  -0.66100  1.0 1.0
   49    58    65    66   1.20850 -1.0 2.0
   49    58    65    66  -0.36000  1.0 3.0
   50    49    58    33   7.00000 -1.0 2.0
   50    49    58    65   7.00000 -1.0 2.0
   58    33    37    40   0.18050 -1.0 2.0
   58    33    37    59   0.18050 -1.0 2.0
   58    33    38    39   0.30150 -1.0 2.0
   58    33   -38    41   0.65300  1.0 1.0
   58    33   -38    41  -0.03850 -1.0 2.0
   58    33   -38    41   0.33900  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
   40    59    37    33   4.00000 -1.0 2.0
   42    69    40    37   4.00000 -1.0 2.0
   44    45    42    40   4.00000 -1.0 2.0
   51    53    44    42   4.00000 -1.0 2.0
   59    52    51    44   1.10000 -1.0 2.0
   51    67    59    37   4.00000 -1.0 2.0
   42    55    45    46  10.50000 -1.0 2.0
   45    56    55    60   1.10000 -1.0 2.0
   69    71    60    55   1.10000 -1.0 2.0
   40    60    69    70  10.50000 -1.0 2.0
   33    41    38    39  10.50000 -1.0 2.0
   43    73    41    38   4.00000 -1.0 2.0
   47    49    43    41   4.00000 -1.0 2.0
   57    48    47    43   1.10000 -1.0 2.0
   61    63    57    47   4.00000 -1.0 2.0
   73    62    61    57   1.10000 -1.0 2.0
   61    74    73    41   4.00000 -1.0 2.0
   43    50    49    58   1.10000 -1.0 2.0
   33    65    58    49   1.10000 -1.0 2.0
END
