* LIGAND DATABASE FILE (OPLS2005)
*
001      77    80    138    212     396
    1     0 S   NP   _N1_     1    28.60661    93.86847   -19.35712
    2     1 S   H    _HN1     2     1.02953    94.93485    26.59344
    3     1 S   H    _H1_     3     1.02831    31.90672   141.38504
    4     1 S   H    _H2_     4     1.02778    84.67289   -81.42401
    5     1 S   CT   _CA1     5     1.50096   141.69717   158.93930
    6     5 S   HC   _HA1     6     1.09577   105.22593    49.39438
    7     5 S   CO3  _C1_     7     1.53717   112.35567   -70.79379
    8     7 S   O2Z  _O11     8     1.26335   115.03618   -44.86153
    9     7 S   O2Z  _O12     9     1.26196   114.83092   134.21338
   10     5 S   CT   _CB1    10     1.53044   107.43652   167.26042
   11    10 S   HC   HB11    11     1.09824   109.26425   -51.10917
   12    10 S   HC   HB12    12     1.09822   110.44977    65.41981
   13    10 S   CT   _CG1    13     1.53004   112.69856  -172.24116
   14    13 S   HC   HG11    14     1.09621   110.41139   -64.36167
   15    13 S   HC   HG12    15     1.09649   110.05485    54.90947
   16    13 S   C    _CD1    16     1.51810   112.19816   175.16183
   17    16 S   O    _OE1    17     1.22736   123.28154    -3.37893
   18    16 S   N    _N2_    18     1.38600   111.65979   176.79704
   19    18 S   H    _HN2    19     1.01609   118.97746     1.56673
   20    18 S   CT1  _CA2    20     1.46304   123.38156  -179.02502
   21    20 S   HC   _HA2    21     1.09732   109.40202    -9.36135
   22    20 S   C    _C2_    22     1.53347   108.48254  -125.01391
   23    22 S   O    _O2_    23     1.23029   122.37939  -147.95175
   24    20 S   CT   _CB2    32     1.53393   111.16782   112.65105
   25    24 S   HC   HB21    33     1.09402   109.22638    56.04742
   26    24 S   HC   HB22    34     1.09495   110.84159   174.71873
   27    22 S   N    _N3_    24     1.38371   113.46396    39.61122
   28    27 S   H    _HN3    25     1.01646   119.48703    -3.73905
   29    24 S   S    _SG2    35     1.82755   111.09758   -65.71048
   30    27 S   CT   _CA3    26     1.45287   123.10181   176.90832
   31    30 S   HC   HA31    27     1.09553   107.56387   -62.94741
   32    30 S   HC   HA32    28     1.09560   107.89535    53.44272
   33    29 S   CT   _C20    36     1.82383   100.31584   161.11073
   34    33 S   HC   _H3_    37     1.09503   109.29001    50.74343
   35    30 S   CO3  _C3_    29     1.52928   114.16424   175.42457
   36    35 S   O2Z  _O31    30     1.26360   116.06497     0.11191
   37    35 S   O2Z  _O32    31     1.26432   114.40832  -179.85065
   38    33 S   CO4  _C18    38     1.50507   110.48983   -68.25499
   39    38 S   O    _O23    39     1.22749   122.52539   101.53882
   40    38 S   CA   _C7_    40     1.47881   116.70696   -75.98265
   41    40 S   CA   _C6_    41     1.40923   117.50110   -27.87222
   42    41 S   CA   _C14    42     1.41556   115.99716   175.07550
   43    41 S   CMA  _C17    70     1.52747   120.90668    -6.88704
   44    43 S   OM   _O21    71     1.26849   119.95975  -159.08884
   45    42 S   CA   _C12    43     1.40715   122.29993     1.25585
   46    42 S   OH   _O25    68     1.37690   122.01421  -178.20900
   47    46 S   HO   _H42    69     0.97532   107.72431    -4.62686
   48    33 S   CM   _C19    72     1.50264   110.02679   172.03326
   49    45 S   CA   _C9_    44     1.38980   120.20981     0.68070
   50    45 S   OS   _O24    58     1.37269   116.31748  -179.97202
   51    48 S   OS   _O28    73     1.39512   113.47098   -88.38322
   52    40 S   CA   _C15    45     1.41058   120.32725   149.43719
   53    49 S   CO4  _C16    48     1.48152   117.98662   177.76699
   54    53 S   O    _O22    49     1.22238   120.98685  -171.74231
   55    51 S   CT   _C23    74     1.42708   110.99665   -87.71295
   56    55 S   HC   _H39    75     1.09398   107.83115  -178.14501
   57    55 S   HC   _H40    76     1.09463   111.30840    63.54851
   58    55 S   HC   _H41    77     1.09510   111.37692   -59.74387
   59    52 S   OH   _O26    46     1.37064   121.14582     2.37290
   60    59 S   HO   _H43    47     0.97286   109.70609     9.18265
   61    53 S   CA   _C8_    50     1.48166   117.65827     6.84974
   62    61 S   CA   _C10    51     1.40926   123.30811   174.03179
   63    62 S   CA   _C4_    52     1.40723   118.61492   179.55721
   64    63 S   HA   _H30    53     1.08907   119.62285  -179.97202
   65    62 S   CT   _C21    64     1.50359   123.54693    -0.58182
   66    65 S   HC   _H33    65     1.09437   110.63410   -57.47094
   67    65 S   HC   _H34    66     1.09442   110.41288    64.73928
   68    65 S   HC   _H35    67     1.09566   111.60705  -176.22545
   69    63 S   CA   _C13    54     1.39777   121.66135     0.24708
   70    69 S   CA   _C5_    55     1.39169   119.01736    -0.15451
   71    70 S   HA   _H31    56     1.08607   121.53337   179.96574
   72    69 S   OS   _O27    59     1.36916   115.01484   179.88809
   73    61 S   CA   _C11    57     1.39616   117.03230    -6.10178
   74    72 S   CT   _C22    60     1.42272   116.78953  -178.92498
   75    74 S   HC   _H36    61     1.09428   107.75156   179.39542
   76    74 S   HC   _H37    62     1.09505   111.15533    61.62797
   77    74 S   HC   _H38    63     1.09499   111.11538   -62.86326
  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   8   5   4   3
  11   6   2   1   1  10   4  12  12  11   7   2  11   3   1   5
   9   8   4   5   8   3   3   2   1   1   1   1  11  10  11   4
   5   2   1   1   8   4   2   5   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    48    51  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    52    43    44    48    51    55  
   38    39    40    43    48    51  
   36    37  
   37  
    0  
   39    40    41    42    49    52    59    43    48    51  
   40    41    52    48  
   41    42    45    49    52    59    60    53    46    43    44    48  
   42    45    49    52    59    50    46    47    43    44    48    51  
   45    49    52    53    73    50    46    47    43    44    48  
   44    48    51    55    45    46    52  
   48    51  
   49    52    59    53    54    61    70    73    50    46    47  
   47    49    50  
    0  
   51    55    56    57    58  
   52    59    60    53    54    61    62    73    50  
   52    53    61    62    69    70    71    73  
   55    56    57    58  
   59    60    53    54    61  
   54    61    62    63    70    73    65    59  
   61    62    73  
   56    57    58  
   57    58  
   58  
    0  
   60  
    0  
   62    63    64    69    70    71    73    65    66    67    68  
   63    64    69    70    73    72    65    66    67    68  
   64    69    70    71    73    72    74    65    66    67    68  
   69    70    72    65  
   66    67    68    69    73  
   67    68  
   68  
    0  
   70    71    73    72    74    75    76    77  
   71    73    72    74  
   73    72  
   74    75    76    77    73  
    0  
   75    76    77  
   76    77  
   77  
    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   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.7500   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   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5500   0.0760  -0.516200   2.0020   1.7750   0.023028004  -0.852763146
   49   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   50   2.9000   0.1400  -0.170000   1.7660   1.5600   0.020110767  -0.896042159
   51   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   52   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   53   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   74   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   317.000  1.522
   33    48   317.000  1.510
   38    39   570.000  1.229
   38    40   310.000  1.470
   40    41   469.000  1.400
   40    52   469.000  1.400
   41    42   469.000  1.400
   41    43   320.000  1.460
   42    45   469.000  1.400
   42    46   450.000  1.364
   45    49   469.000  1.400
   45    50   450.000  1.364
   49    52   469.000  1.400
   49    53   310.000  1.470
   52    59   450.000  1.364
   59    60   553.000  0.945
   53    54   570.000  1.229
   53    61   310.000  1.470
   61    62   469.000  1.400
   61    73   469.000  1.400
   62    63   469.000  1.400
   62    65   317.000  1.510
   63    64   367.000  1.080
   63    69   469.000  1.400
   69    70   469.000  1.400
   69    72   450.000  1.364
   70    71   367.000  1.080
   70    73   469.000  1.400
   73    50   450.000  1.364
   72    74   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   46    47   553.000  0.945
   43    44   745.000  1.250
   43    48   465.000  1.376
   48    51   440.000  1.360
   51    55   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
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  110.18000
   29    33    48    75.00000  112.20000
   33    38    39    80.00000  120.40000
   33    38    40    65.00000  115.47100
   33    48    43    70.00000  124.00000
   33    48    51    85.00000  112.85300
   38    33    34    35.00000  109.50000
   38    40    41    60.00000  119.52600
   38    40    52    60.00000  119.52600
   40    38    39    75.00000  123.78400
   40    41    42    63.00000  120.00000
   40    41    43    60.00000  120.93500
   40    52    49    63.00000  120.00000
   40    52    59    70.00000  120.00000
   41    42    45    63.00000  120.00000
   41    42    46    70.00000  120.00000
   41    43    44    85.00000  114.86500
   41    43    48    60.00000  123.20500
   42    45    49    63.00000  120.00000
   42    45    50    70.00000  120.00000
   42    46    47    35.00000  113.00000
   45    49    52    63.00000  120.00000
   45    49    53    60.00000  119.52600
   45    50    73    85.00000  114.70000
   49    52    59    70.00000  120.00000
   49    53    54    75.00000  123.78400
   49    53    61    65.00000  116.00000
   52    40    41    63.00000  120.00000
   52    59    60    35.00000  113.00000
   53    49    52    60.00000  119.52600
   53    61    62    60.00000  119.52600
   53    61    73    60.00000  119.52600
   61    53    54    75.00000  123.78400
   61    62    63    63.00000  120.00000
   61    62    65    70.00000  120.00000
   61    73    70    63.00000  120.00000
   61    73    50    70.00000  120.00000
   62    63    64    35.00000  120.00000
   62    63    69    63.00000  120.00000
   62    65    66    35.00000  109.50000
   62    65    67    35.00000  109.50000
   62    65    68    35.00000  109.50000
   63    69    70    63.00000  120.00000
   63    69    72    70.00000  120.00000
   69    63    64    35.00000  120.00000
   69    70    71    35.00000  120.00000
   69    70    73    63.00000  120.00000
   69    72    74    75.00000  111.00000
   70    73    50    70.00000  120.00000
   73    61    62    63.00000  120.00000
   73    70    71    35.00000  120.00000
   50    45    49    70.00000  120.00000
   72    69    70    70.00000  120.00000
   72    74    75    35.00000  109.50000
   72    74    76    35.00000  109.50000
   72    74    77    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   65    62    63    70.00000  120.00000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   46    42    45    70.00000  120.00000
   43    41    42    60.00000  120.93500
   43    48    51    80.00000  120.01400
   48    33    34    35.00000  109.50000
   48    33    38    70.00000  109.06800
   48    43    44    65.00000  137.10300
   48    51    55    90.00000  111.18400
   51    55    56    35.00000  109.50000
   51    55    57    35.00000  109.50000
   51    55    58    35.00000  109.50000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
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    48  -0.62250  1.0 1.0
   24    29    33    48  -0.38450 -1.0 2.0
   24    29    33    48   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    38    39   0.30150 -1.0 2.0
   29    33    38    40   0.65300  1.0 1.0
   29    33    38    40  -0.03850 -1.0 2.0
   29    33    38    40   0.33900  1.0 3.0
   29    33    48    43   0.42700  1.0 1.0
   29    33    48    43  -0.70350 -1.0 2.0
   29    33    48    43  -0.43150  1.0 3.0
   29    33    48    51   0.09700  1.0 1.0
   29    33    48    51   0.15600 -1.0 2.0
   29    33    48    51  -0.50800  1.0 3.0
   33    38    40    41   2.26350  1.0 1.0
   33    38    40    41   0.76750 -1.0 2.0
   33    38    40    41   0.22500  1.0 3.0
   33    38    40    52   2.26350  1.0 1.0
   33    38    40    52   0.76750 -1.0 2.0
   33    38    40    52   0.22500  1.0 3.0
   33    48    51    55   2.00000 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    48    43   0.00000  1.0 1.0
   34    33    48    51   0.00000  1.0 1.0
   38    33    48    43  -0.51250  1.0 1.0
   38    33    48    43  -0.88800 -1.0 2.0
   38    33    48    43   0.08850  1.0 3.0
   38    33    48    51   0.09700  1.0 1.0
   38    33    48    51   0.15600 -1.0 2.0
   38    33    48    51  -0.50800  1.0 3.0
   38    40    41    42   3.62500 -1.0 2.0
   38    40   -41    43   3.62500 -1.0 2.0
   38    40    52    49   3.62500 -1.0 2.0
   38    40    52    59   3.62500 -1.0 2.0
   39    38    40    41   1.05000 -1.0 2.0
   39    38    40    52   1.05000 -1.0 2.0
   40    41    42    45   3.62500 -1.0 2.0
   40    41    42    46   3.62500 -1.0 2.0
   40    41    43    44  -0.01750  1.0 1.0
   40    41    43    44  -0.32000 -1.0 2.0
   40    41    43    44   0.00600  1.0 3.0
   40    41    43    48   0.15800  1.0 1.0
   40    41    43    48   1.85350 -1.0 2.0
   40    41    43    48  -0.48700  1.0 3.0
   40    52    59    60   0.84100 -1.0 2.0
   41    40    52    49   3.62500 -1.0 2.0
   41    40    52    59   3.62500 -1.0 2.0
   41    42   -45    49   3.62500 -1.0 2.0
   41    42    45    50   3.62500 -1.0 2.0
   41    42    46    47   0.84100 -1.0 2.0
   41    43   -48    33   7.00000 -1.0 2.0
   41    43    48    51   7.00000 -1.0 2.0
   42    41    43    44  -0.01750  1.0 1.0
   42    41    43    44  -0.32000 -1.0 2.0
   42    41    43    44   0.00600  1.0 3.0
   42    41    43    48   0.15800  1.0 1.0
   42    41    43    48   1.85350 -1.0 2.0
   42    41    43    48  -0.48700  1.0 3.0
   42    45    49    52   3.62500 -1.0 2.0
   42    45    49    53   3.62500 -1.0 2.0
   42    45    50    73   0.47150 -1.0 2.0
   45    42    46    47   0.84100 -1.0 2.0
   45    49   -52    40   3.62500 -1.0 2.0
   45    49    52    59   3.62500 -1.0 2.0
   45    49    53    54   1.05000 -1.0 2.0
   45    49    53    61   0.56600 -1.0 2.0
   49    45    50    73   0.47150 -1.0 2.0
   49    52    59    60   0.84100 -1.0 2.0
   49    53    61    62   0.56600 -1.0 2.0
   49    53   -61    73   0.56600 -1.0 2.0
   52    40   -41    42   3.62500 -1.0 2.0
   52    40    41    43   3.62500 -1.0 2.0
   52    49    53    54   1.05000 -1.0 2.0
   52    49    53    61   0.56600 -1.0 2.0
   53    49    52    40   3.62500 -1.0 2.0
   53    49    52    59   3.62500 -1.0 2.0
   53    61    62    63   3.62500 -1.0 2.0
   53    61    62    65   3.62500 -1.0 2.0
   53    61    73    70   3.62500 -1.0 2.0
   53    61    73    50   3.62500 -1.0 2.0
   54    53    61    62   1.05000 -1.0 2.0
   54    53    61    73   1.05000 -1.0 2.0
   61    62    63    64   3.62500 -1.0 2.0
   61    62    63    69   3.62500 -1.0 2.0
   61    62    65    66   0.00000  1.0 1.0
   61    62    65    67   0.00000  1.0 1.0
   61    62    65    68   0.00000  1.0 1.0
   61    73   -50    45   0.47150 -1.0 2.0
   62    61    73    70   3.62500 -1.0 2.0
   62    61    73    50   3.62500 -1.0 2.0
   62    63   -69    70   3.62500 -1.0 2.0
   62    63    69    72   3.62500 -1.0 2.0
   63    62    65    66   0.00000  1.0 1.0
   63    62    65    67   0.00000  1.0 1.0
   63    62    65    68   0.00000  1.0 1.0
   63    69    70    71   3.62500 -1.0 2.0
   63    69    70    73   3.62500 -1.0 2.0
   63    69    72    74   1.63200 -1.0 2.0
   64    63    69    70   3.62500 -1.0 2.0
   64    63    69    72   3.62500 -1.0 2.0
   69    70   -73    61   3.62500 -1.0 2.0
   69    70    73    50   3.62500 -1.0 2.0
   69    72    74    75   0.08050  1.0 3.0
   69    72    74    76   0.08050  1.0 3.0
   69    72    74    77   0.08050  1.0 3.0
   70    69    72    74   1.63200 -1.0 2.0
   70    73    50    45   0.47150 -1.0 2.0
   71    70    73    61   3.62500 -1.0 2.0
   71    70    73    50   3.62500 -1.0 2.0
   73    61   -62    63   3.62500 -1.0 2.0
   73    61    62    65   3.62500 -1.0 2.0
   50    45    49    52   3.62500 -1.0 2.0
   50    45   -49    53   3.62500 -1.0 2.0
   72    69    70    71   3.62500 -1.0 2.0
   72    69    70    73   3.62500 -1.0 2.0
   65    62    63    64   3.62500 -1.0 2.0
   65    62    63    69   3.62500 -1.0 2.0
   46    42    45    49   3.62500 -1.0 2.0
   46    42    45    50   3.62500 -1.0 2.0
   43    41    42    45   3.62500 -1.0 2.0
   43    41    42    46   3.62500 -1.0 2.0
   43    48    51    55  -2.26850  1.0 1.0
   43    48    51    55   3.39050 -1.0 2.0
   44    43    48    33   7.00000 -1.0 2.0
   44    43    48    51   7.00000 -1.0 2.0
   48    33    38    39   0.30150 -1.0 2.0
   48    33   -38    40   0.65300  1.0 1.0
   48    33   -38    40  -0.03850 -1.0 2.0
   48    33   -38    40   0.33900  1.0 3.0
   48    51    55    56   0.08050  1.0 3.0
   48    51    55    57   0.08050  1.0 3.0
   48    51    55    58   0.08050  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
   33    40    38    39  10.50000 -1.0 2.0
   41    52    40    38   4.00000 -1.0 2.0
   42    43    41    40   4.00000 -1.0 2.0
   45    46    42    41   4.00000 -1.0 2.0
   49    50    45    42   4.00000 -1.0 2.0
   52    53    49    45   4.00000 -1.0 2.0
   49    59    52    40   4.00000 -1.0 2.0
   49    61    53    54  10.50000 -1.0 2.0
   62    73    61    53   4.00000 -1.0 2.0
   63    65    62    61   4.00000 -1.0 2.0
   69    64    63    62   1.10000 -1.0 2.0
   70    72    69    63   4.00000 -1.0 2.0
   73    71    70    69   1.10000 -1.0 2.0
   70    50    73    61   4.00000 -1.0 2.0
   41    44    43    48   1.10000 -1.0 2.0
   33    51    48    43   1.10000 -1.0 2.0
END
