* LIGAND DATABASE FILE (OPLS2005)
*
001      81    81    140    209     407
    1     0 S   NP   _N1_     1    28.56014    91.99282   -21.72179
    2     1 S   H    _HN1     2     1.02956   101.15562     6.70335
    3     1 S   H    _H1_     3     1.02839    21.69647   114.67409
    4     1 S   H    _H2_     4     1.02786    90.69757  -102.16980
    5     1 S   CT   _CA1     5     1.50172   131.16226   136.83813
    6     5 S   HC   _HA1     6     1.09556   105.21172    50.81243
    7     5 S   CO3  _C1_     7     1.53822   112.59407   -69.42994
    8     7 S   O2Z  _O11     8     1.26382   115.01392   -35.17365
    9     7 S   O2Z  _O12     9     1.26235   115.12300   144.40556
   10     5 S   CT   _CB1    10     1.53129   107.40523   169.04927
   11    10 S   HC   HB11    11     1.09819   109.49706   -46.74783
   12    10 S   HC   HB12    12     1.09842   110.30279    69.88399
   13    10 S   CT   _CG1    13     1.53031   112.74750  -167.75634
   14    13 S   HC   HG11    14     1.09417   110.53861   -61.72186
   15    13 S   HC   HG12    15     1.09643   110.00744    57.37027
   16    13 S   C    _CD1    16     1.51785   112.29166   177.50574
   17    16 S   O    _OE1    17     1.22731   123.10416    -7.93472
   18    16 S   N    _N2_    18     1.38571   111.75407   172.73758
   19    18 S   H    _HN2    19     1.01530   119.11067     4.50185
   20    18 S   CT1  _CA2    20     1.45880   122.88940   176.73020
   21    20 S   HC   _HA2    21     1.09579   109.02712    17.16317
   22    20 S   C    _C2_    22     1.52912   106.58905   -99.32339
   23    22 S   O    _O2_    23     1.23036   122.90395   -26.36496
   24    20 S   CT   _CB2    32     1.53261   112.42408   141.03901
   25    24 S   HC   HB21    33     1.09675   109.72425    59.00632
   26    24 S   HC   HB22    34     1.09567   110.98896   175.98439
   27    22 S   N    _N3_    24     1.38505   112.82303   156.32847
   28    27 S   H    _HN3    25     1.01723   120.33262    -1.76170
   29    24 S   S    _SG2    35     1.82744   113.81664   -60.26399
   30    27 S   CT   _CA3    26     1.45368   122.17920   178.74883
   31    30 S   HC   HA31    27     1.09578   107.67798   -57.54068
   32    30 S   HC   HA32    28     1.09576   107.63313    58.64586
   33    29 S   CMA  _C23    36     1.80640   101.04316   -63.68825
   34    33 S   OM   _O39    37     1.26535   120.94803   -54.80146
   35    30 S   CO3  _C3_    29     1.52826   114.70166  -179.46222
   36    35 S   O2Z  _O31    30     1.26275   116.19438    -0.32686
   37    35 S   O2Z  _O32    31     1.26482   114.33945   179.66196
   38    33 S   CM   _C22    38     1.35599   110.30540   126.78683
   39    38 S   HC   _H20    39     1.08722   122.24194     1.83781
   40    38 S   CO4  _C21    40     1.49566   123.76615   179.79252
   41    40 S   O    _O40    41     1.22875   122.49066    37.99603
   42    40 S   CT   _C20    42     1.50979   116.26733  -144.17667
   43    42 S   HC   _H18    43     1.09486   109.81264    29.64745
   44    42 S   HC   _H19    44     1.09592   107.38433   145.99074
   45    42 S   CO4  _C19    45     1.51282   114.28818   -92.97050
   46    45 S   O    _O38    46     1.23068   121.80985    14.15978
   47    45 S   CT   _C18    47     1.51932   115.61300  -166.50145
   48    47 S   HC   _H16    48     1.09482   108.96588   -50.46774
   49    47 S   HC   _H17    49     1.09683   107.62458    64.60709
   50    47 S   CA   _C13    50     1.51022   113.50769  -173.62911
   51    50 S   CA   _C14    51     1.40439   118.95352   -98.28265
   52    51 S   HA   _H12    52     1.08787   120.29424    -1.58782
   53    51 S   CA   _C15    53     1.39704   120.95135   178.04335
   54    53 S   HA   _H13    54     1.08661   119.80554   179.88131
   55    53 S   CA   _C16    55     1.39317   120.27039    -0.31652
   56    55 S   HA   _H14    56     1.08618   119.39107   179.96044
   57    55 S   CA   _C17    57     1.39317   119.57889    -0.07133
   58    50 S   CA   _C12    58     1.40659   122.83320    79.01481
   59    57 S   OH   _O37    80     1.36785   119.98318   179.76097
   60    59 S   HO   _H15    81     0.97243   108.91528    -0.25793
   61    58 S   CO4  _C11    59     1.47616   120.31034     2.03355
   62    61 S   O    _O36    60     1.22621   119.08999    71.77244
   63    61 S   CT   _C10    61     1.51042   116.97173  -109.05304
   64    63 S   HC   _H10    62     1.09508   107.41165  -105.35971
   65    63 S   HC   _H11    63     1.09542   109.78164    12.74590
   66    63 S   CO4  _C9_    64     1.51564   114.82030   133.55870
   67    66 S   O    _O35    65     1.22936   121.95501    -9.33340
   68    66 S   CT   _C8_    66     1.51376   115.43065   174.48978
   69    68 S   HC   _H8_    67     1.09490   108.56193   -44.86014
   70    68 S   HC   _H9_    68     1.09429   106.49245    72.83874
   71    68 S   CO4  _C7_    69     1.51466   117.14577  -165.98732
   72    71 S   O    _O34    70     1.22884   122.47776    17.12060
   73    71 S   CT   _C6_    71     1.51572   115.23088  -163.17794
   74    73 S   HC   _H6_    72     1.09422   106.98532    71.81356
   75    73 S   HC   _H7_    73     1.09501   108.85581   -45.61050
   76    73 S   CO4  _C5_    74     1.51212   116.29364  -166.60367
   77    76 S   O    _O33    75     1.23011   122.73488    31.42220
   78    76 S   CT   _C4_    76     1.50689   116.33012  -151.90868
   79    78 S   HC   _H3_    77     1.09255   109.72030    59.94429
   80    78 S   HC   _H4_    78     1.09353   109.72507   179.24931
   81    78 S   HC   _H5_    79     1.09272   109.51582   -61.12503
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   5   5   4   3
   6   3   2   1   1   7   3   7   4   8   4   3   7   4   9   4
   3  11   8   4   6   3   6   3   6   8   2   1   7   4   8   4
   3   7   4   8   4   3   7   4   8   4   3   5   4   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    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42  
   38    39    40  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45  
   40    41    42  
   41    42    43    44    45    46    47  
   42    43    44    45  
   43    44    45    46    47    48    49    50  
   44    45    46    47  
   45    46    47  
   46    47    48    49    50    51    58  
   47    48    49    50  
   48    49    50    51    52    53    57    58    61  
   49    50    51    58  
   50    51    58  
   51    52    53    54    55    57    58    61    62    63    59  
   52    53    54    55    56    57    58    61  
   53    54    55    58  
   54    55    56    57    58    59  
   55    56    57  
   56    57    58    61    59    60  
   57    58    59  
   58    61    62    63    59    60  
   61    62    63    64    65    66    59    60  
   60    61  
    0  
   62    63    64    65    66    67    68  
   63    64    65    66  
   64    65    66    67    68    69    70    71  
   65    66    67    68  
   66    67    68  
   67    68    69    70    71    72    73  
   68    69    70    71  
   69    70    71    72    73    74    75    76  
   70    71    72    73  
   71    72    73  
   72    73    74    75    76    77    78  
   73    74    75    76  
   74    75    76    77    78    79    80    81  
   75    76    77    78  
   76    77    78  
   77    78    79    80    81  
   78    79    80    81  
   79    80    81  
   80    81  
   81  
    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  -0.575000   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   3.5500   0.0760   0.382600   2.0020   1.7750   0.023028004  -0.852763146
   34   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   58   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.4200   0.0150   0.060000   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   240.000  1.763
   33    34   745.000  1.250
   33    38   465.000  1.376
   38    39   340.000  1.080
   38    40   320.000  1.462
   40    41   570.000  1.229
   40    42   317.000  1.522
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   317.000  1.522
   45    46   570.000  1.229
   45    47   317.000  1.522
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   317.000  1.510
   50    51   469.000  1.400
   50    58   469.000  1.400
   51    52   367.000  1.080
   51    53   469.000  1.400
   53    54   367.000  1.080
   53    55   469.000  1.400
   55    56   367.000  1.080
   55    57   469.000  1.400
   57    58   469.000  1.400
   57    59   450.000  1.364
   58    61   310.000  1.470
   61    62   570.000  1.229
   61    63   317.000  1.522
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   317.000  1.522
   66    67   570.000  1.229
   66    68   317.000  1.522
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   317.000  1.522
   71    72   570.000  1.229
   71    73   317.000  1.522
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   317.000  1.522
   76    77   570.000  1.229
   76    78   317.000  1.522
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   59    60   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    85.00000  102.41200
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    95.00000  113.88000
   29    33    38    65.00000  122.11800
   33    38    39    40.00000  120.50800
   33    38    40    60.00000  125.92000
   38    33    34    65.00000  137.10300
   38    40    41    80.00000  123.72100
   38    40    42    65.00000  118.62400
   40    38    39    40.00000  117.72500
   40    42    43    35.00000  109.50000
   40    42    44    35.00000  109.50000
   40    42    45    75.00000  107.99600
   42    40    41    80.00000  120.40000
   42    45    46    80.00000  120.40000
   42    45    47    70.00000  116.00000
   44    42    43    33.00000  107.80000
   45    42    43    35.00000  109.50000
   45    42    44    35.00000  109.50000
   45    47    48    35.00000  109.50000
   45    47    49    35.00000  109.50000
   45    47    50    70.00000  110.93000
   47    45    46    80.00000  120.40000
   47    50    51    70.00000  120.00000
   47    50    58    70.00000  120.00000
   49    47    48    33.00000  107.80000
   50    47    48    35.00000  109.50000
   50    47    49    35.00000  109.50000
   50    51    52    35.00000  120.00000
   50    51    53    63.00000  120.00000
   50    58    57    63.00000  120.00000
   50    58    61    60.00000  119.52600
   51    53    54    35.00000  120.00000
   51    53    55    63.00000  120.00000
   53    51    52    35.00000  120.00000
   53    55    56    35.00000  120.00000
   53    55    57    63.00000  120.00000
   55    53    54    35.00000  120.00000
   55    57    58    63.00000  120.00000
   55    57    59    70.00000  120.00000
   57    55    56    35.00000  120.00000
   57    58    61    60.00000  119.52600
   57    59    60    35.00000  113.00000
   58    50    51    63.00000  120.00000
   58    61    62    75.00000  123.78400
   58    61    63    65.00000  115.47100
   61    63    64    35.00000  109.50000
   61    63    65    35.00000  109.50000
   61    63    66    75.00000  107.99600
   63    61    62    80.00000  120.40000
   63    66    67    80.00000  120.40000
   63    66    68    70.00000  116.00000
   65    63    64    33.00000  107.80000
   66    63    64    35.00000  109.50000
   66    63    65    35.00000  109.50000
   66    68    69    35.00000  109.50000
   66    68    70    35.00000  109.50000
   66    68    71    75.00000  107.99600
   68    66    67    80.00000  120.40000
   68    71    72    80.00000  120.40000
   68    71    73    70.00000  116.00000
   70    68    69    33.00000  107.80000
   71    68    69    35.00000  109.50000
   71    68    70    35.00000  109.50000
   71    73    74    35.00000  109.50000
   71    73    75    35.00000  109.50000
   71    73    76    75.00000  107.99600
   73    71    72    80.00000  120.40000
   73    76    77    80.00000  120.40000
   73    76    78    70.00000  116.00000
   75    73    74    33.00000  107.80000
   76    73    74    35.00000  109.50000
   76    73    75    35.00000  109.50000
   76    78    79    35.00000  109.50000
   76    78    80    35.00000  109.50000
   76    78    81    35.00000  109.50000
   78    76    77    80.00000  120.40000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   59    57    58    70.00000  120.00000
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   0.00000  1.0 1.0
   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   1.00000 -1.0 2.0
   24    29    33    38   1.00000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    38    39   7.00000 -1.0 2.0
   29    33    38    40   7.00000 -1.0 2.0
   33    38    40    41   1.00000 -1.0 2.0
   33    38    40    42  -0.33500  1.0 1.0
   33    38    40    42   1.06600 -1.0 2.0
   33    38    40    42  -0.14000  1.0 3.0
   34    33    38    39   7.00000 -1.0 2.0
   34    33    38    40   7.00000 -1.0 2.0
   38    40    42    43   0.00000  1.0 1.0
   38    40    42    44   0.00000  1.0 1.0
   38    40    42    45   0.65300  1.0 1.0
   38    40    42    45  -0.03850 -1.0 2.0
   38    40    42    45   0.33900  1.0 3.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    42   0.04550  1.0 1.0
   39    38    40    42   0.83000 -1.0 2.0
   39    38    40    42  -0.04000  1.0 3.0
   40    42    45    46   0.30150 -1.0 2.0
   40    42    45    47   0.65300  1.0 1.0
   40    42    45    47  -0.03850 -1.0 2.0
   40    42    45    47   0.33900  1.0 3.0
   41    40    42    43   0.00000  1.0 1.0
   41    40    42    44   0.00000  1.0 1.0
   41    40    42    45   0.30150 -1.0 2.0
   42    45    47    48   0.00000  1.0 1.0
   42    45    47    49   0.00000  1.0 1.0
   42    45    47    50   0.65300  1.0 1.0
   42    45    47    50  -0.03850 -1.0 2.0
   42    45    47    50   0.33900  1.0 3.0
   43    42    45    46   0.00000  1.0 1.0
   43    42    45    47   0.00000  1.0 1.0
   44    42    45    46   0.00000  1.0 1.0
   44    42    45    47   0.00000  1.0 1.0
   45    47    50    51   0.04300 -1.0 2.0
   45    47    50    58   0.04300 -1.0 2.0
   46    45    47    48   0.00000  1.0 1.0
   46    45    47    49   0.00000  1.0 1.0
   46    45    47    50   0.30150 -1.0 2.0
   47    50    51    52   3.62500 -1.0 2.0
   47    50    51    53   3.62500 -1.0 2.0
   47    50    58    57   3.62500 -1.0 2.0
   47    50    58    61   3.62500 -1.0 2.0
   48    47    50    51   0.00000  1.0 1.0
   48    47    50    58   0.00000  1.0 1.0
   49    47    50    51   0.00000  1.0 1.0
   49    47    50    58   0.00000  1.0 1.0
   50    51    53    54   3.62500 -1.0 2.0
   50    51    53    55   3.62500 -1.0 2.0
   50    58    61    62   1.05000 -1.0 2.0
   50    58    61    63   2.26350  1.0 1.0
   50    58    61    63   0.76750 -1.0 2.0
   50    58    61    63   0.22500  1.0 3.0
   51    50    58    57   3.62500 -1.0 2.0
   51    50    58    61   3.62500 -1.0 2.0
   51    53    55    56   3.62500 -1.0 2.0
   51    53   -55    57   3.62500 -1.0 2.0
   52    51    53    54   3.62500 -1.0 2.0
   52    51    53    55   3.62500 -1.0 2.0
   53    55    57    58   3.62500 -1.0 2.0
   53    55    57    59   3.62500 -1.0 2.0
   54    53    55    56   3.62500 -1.0 2.0
   54    53    55    57   3.62500 -1.0 2.0
   55    57   -58    50   3.62500 -1.0 2.0
   55    57    58    61   3.62500 -1.0 2.0
   55    57    59    60   0.84100 -1.0 2.0
   56    55    57    58   3.62500 -1.0 2.0
   56    55    57    59   3.62500 -1.0 2.0
   57    58    61    62   1.05000 -1.0 2.0
   57    58    61    63   2.26350  1.0 1.0
   57    58    61    63   0.76750 -1.0 2.0
   57    58    61    63   0.22500  1.0 3.0
   58    50    51    52   3.62500 -1.0 2.0
   58    50   -51    53   3.62500 -1.0 2.0
   58    57    59    60   0.84100 -1.0 2.0
   58    61    63    64   0.00000  1.0 1.0
   58    61    63    65   0.00000  1.0 1.0
   58    61    63    66   0.65300  1.0 1.0
   58    61    63    66  -0.03850 -1.0 2.0
   58    61    63    66   0.33900  1.0 3.0
   61    63    66    67   0.30150 -1.0 2.0
   61    63    66    68   0.65300  1.0 1.0
   61    63    66    68  -0.03850 -1.0 2.0
   61    63    66    68   0.33900  1.0 3.0
   62    61    63    64   0.00000  1.0 1.0
   62    61    63    65   0.00000  1.0 1.0
   62    61    63    66   0.30150 -1.0 2.0
   63    66    68    69   0.00000  1.0 1.0
   63    66    68    70   0.00000  1.0 1.0
   63    66    68    71   0.65300  1.0 1.0
   63    66    68    71  -0.03850 -1.0 2.0
   63    66    68    71   0.33900  1.0 3.0
   64    63    66    67   0.00000  1.0 1.0
   64    63    66    68   0.00000  1.0 1.0
   65    63    66    67   0.00000  1.0 1.0
   65    63    66    68   0.00000  1.0 1.0
   66    68    71    72   0.30150 -1.0 2.0
   66    68    71    73   0.65300  1.0 1.0
   66    68    71    73  -0.03850 -1.0 2.0
   66    68    71    73   0.33900  1.0 3.0
   67    66    68    69   0.00000  1.0 1.0
   67    66    68    70   0.00000  1.0 1.0
   67    66    68    71   0.30150 -1.0 2.0
   68    71    73    74   0.00000  1.0 1.0
   68    71    73    75   0.00000  1.0 1.0
   68    71    73    76   0.65300  1.0 1.0
   68    71    73    76  -0.03850 -1.0 2.0
   68    71    73    76   0.33900  1.0 3.0
   69    68    71    72   0.00000  1.0 1.0
   69    68    71    73   0.00000  1.0 1.0
   70    68    71    72   0.00000  1.0 1.0
   70    68    71    73   0.00000  1.0 1.0
   71    73    76    77   0.30150 -1.0 2.0
   71    73    76    78   0.65300  1.0 1.0
   71    73    76    78  -0.03850 -1.0 2.0
   71    73    76    78   0.33900  1.0 3.0
   72    71    73    74   0.00000  1.0 1.0
   72    71    73    75   0.00000  1.0 1.0
   72    71    73    76   0.30150 -1.0 2.0
   73    76    78    79   0.00000  1.0 1.0
   73    76    78    80   0.00000  1.0 1.0
   73    76    78    81   0.00000  1.0 1.0
   74    73    76    77   0.00000  1.0 1.0
   74    73    76    78   0.00000  1.0 1.0
   75    73    76    77   0.00000  1.0 1.0
   75    73    76    78   0.00000  1.0 1.0
   77    76    78    79   0.00000  1.0 1.0
   77    76    78    80   0.00000  1.0 1.0
   77    76    78    81   0.00000  1.0 1.0
   59    57    58    50   3.62500 -1.0 2.0
   59    57    58    61   3.62500 -1.0 2.0
IPHI
    8     5     7     9  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    35    37  10.50000 -1.0 2.0
   29    34    33    38  15.00000 -1.0 2.0
   40    39    38    33  15.00000 -1.0 2.0
   38    42    40    41  10.50000 -1.0 2.0
   42    47    45    46  10.50000 -1.0 2.0
   51    58    50    47   4.00000 -1.0 2.0
   53    52    51    50   1.10000 -1.0 2.0
   55    54    53    51   1.10000 -1.0 2.0
   57    56    55    53   1.10000 -1.0 2.0
   58    59    57    55   4.00000 -1.0 2.0
   57    61    58    50   4.00000 -1.0 2.0
   58    63    61    62  10.50000 -1.0 2.0
   63    68    66    67  10.50000 -1.0 2.0
   68    73    71    72  10.50000 -1.0 2.0
   73    78    76    77  10.50000 -1.0 2.0
END
