* LIGAND DATABASE FILE (OPLS2005)
*
001      78    80    141    230     421
    1     0 S   NP   _N1_     1    29.37078    95.46551   -17.52959
    2     1 S   H    _HN1     2     1.03060   107.70518    48.02399
    3     1 S   H    _H1_     3     1.02804    39.00478   143.67450
    4     1 S   H    _H2_     4     1.02779    71.01362   -55.47997
    5     1 S   CT   _CA1     5     1.50223   138.03329  -157.81063
    6     5 S   HC   _HA1     6     1.09598   105.27276    24.84676
    7     5 S   CO3  _C1_     7     1.53633   112.35115   -94.84821
    8     7 S   O2Z  _O11     8     1.26308   115.30939   -46.98981
    9     7 S   O2Z  _O12     9     1.26239   114.90321   132.18528
   10     5 S   CT   _CB1    10     1.52955   106.98322   142.04232
   11    10 S   HC   HB11    11     1.09823   108.72415   -58.19278
   12    10 S   HC   HB12    12     1.09656   110.09762    57.44384
   13    10 S   CT   _CG1    13     1.53035   113.60025   180.00000
   14    13 S   HC   HG11    14     1.09541   110.09072   -64.04466
   15    13 S   HC   HG12    15     1.09597   110.41270    55.16325
   16    13 S   C    _CD1    16     1.51904   111.67939   174.87983
   17    16 S   O    _OE1    17     1.22809   122.77701   -22.59443
   18    16 S   N    _N2_    18     1.38493   112.30775   158.86847
   19    18 S   H    _HN2    19     1.01861   119.18745     1.20998
   20    18 S   CT1  _CA2    20     1.46204   123.27580  -179.85735
   21    20 S   HC   _HA2    21     1.09753   108.97919   -17.05388
   22    20 S   C    _C2_    22     1.53585   109.03118  -132.33016
   23    22 S   O    _O2_    23     1.23066   122.10499  -152.64470
   24    20 S   CT   _CB2    32     1.53532   111.88608   104.87048
   25    24 S   HC   HB21    33     1.09366   110.23273    55.45425
   26    24 S   HC   HB22    34     1.09531   110.32739   173.09328
   27    22 S   N    _N3_    24     1.38484   113.59500    35.40534
   28    27 S   H    _HN3    25     1.01509   118.85601    -2.17331
   29    24 S   S    _SG2    35     1.83014   112.28674   -68.68461
   30    27 S   CT   _CA3    26     1.45414   123.46550   175.09216
   31    30 S   HC   HA31    27     1.09528   109.14974    25.43633
   32    30 S   HC   HA32    28     1.09495   107.11750   142.38197
   33    29 S   CT   _C16    36     1.84997   100.56552   130.01229
   34    33 S   HC   _H5_    37     1.09690   106.71686    42.20775
   35    30 S   CO3  _C3_    29     1.52949   113.26687   -98.01588
   36    35 S   O2Z  _O31    30     1.26409   115.52837   -42.84841
   37    35 S   O2Z  _O32    31     1.26390   114.96913   138.15322
   38    33 S   CM   _C12    38     1.52616   109.34774   -78.10347
   39    38 S   CT   _C13    39     1.51531   113.46569   -73.65625
   40    39 S   HC   _H13    40     1.09609   108.20757    69.40298
   41    39 S   HC   _H14    41     1.09223   112.96738  -174.28475
   42    38 S   CM   _C11    54     1.34560   120.09137   107.78275
   43    42 S   HC   _H12    55     1.08624   119.05224    -1.69165
   44    39 S   CT1  _C14    42     1.53181   110.97242   -51.96196
   45    44 S   HC   _H3_    43     1.09878   109.37191   -65.85460
   46    42 S   CG   _C10    56     1.48044   124.16141   178.72497
   47    46 S   HC   _H11    57     1.09652   116.91039   -17.32141
   48    44 S   NT   _N5_    44     1.47471   111.68725    55.25201
   49    48 S   H    _H15    45     1.02178   109.53489    61.21307
   50    44 S   CO3  _C18    51     1.54530   112.86626   174.54677
   51    50 S   O2Z  _O38    52     1.26427   116.40523   -27.02242
   52    50 S   O2Z  _O37    53     1.26617   114.70147   152.12990
   53    46 S   NIP  _N4_    58     1.29193   123.85870   162.90978
   54    33 S   CT1  _C15    46     1.54537   112.74987   160.49669
   55    54 S   HC   _H4_    47     1.10030   108.63306  -172.41843
   56    53 S   CA   _C6_    59     1.40260   122.45375   177.90370
   57    53 S   CT1  _C19    70     1.50928   128.58956    -3.02705
   58    57 S   HC   _H6_    71     1.09656   107.67059    59.15775
   59    54 S   CO3  _C17    48     1.54703   111.97830   -56.56774
   60    59 S   O2Z  _O36    49     1.26299   117.46160   112.34671
   61    59 S   O2Z  _O35    50     1.26795   113.85194   -67.53477
   62    56 S   CA   _C7_    60     1.38830   128.96881     0.24945
   63    62 S   HA   _H8_    61     1.08346   122.52887     0.00000
   64    57 S   CO3  _C21    72     1.53489   109.95771   -62.74508
   65    64 S   O2Z  _O40    73     1.26298   116.62015   -45.42282
   66    64 S   O2Z  _O39    74     1.26404   114.13264   134.08661
   67    62 S   CA   _C8_    62     1.39794   117.93363   179.62361
   68    67 S   CA   _C9_    63     1.40067   120.95188     0.84441
   69    67 S   OH   _O34    77     1.36914   120.02564  -179.00122
   70    69 S   HO   _H10    78     0.97280   108.61619     6.82955
   71    68 S   CA   _C4_    64     1.39501   120.62071    -0.35773
   72    71 S   HA   _H7_    65     1.08512   121.36058   179.85329
   73    68 S   OH   _O33    75     1.36800   119.09158   179.69162
   74    73 S   HO   _H9_    76     0.97202   108.76859   179.03005
   75    56 S   CA   _C5_    66     1.39347   109.90729  -179.36913
   76    75 S   CT   _C20    67     1.49200   111.99183     0.74599
   77    76 S   HC   _H16    68     1.09579   109.98798   115.26733
   78    76 S   HC   _H17    69     1.09514   111.28553  -124.05150
  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   9   5   4   3
  16   7   2   1   1  15  13   6   5   8   3   9   6   9   3   9
   4   3   1   1  14   4   3  14  10   7   2   1   1   9   4   6
   2   1   8   8   3   1   7   3   2   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    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    48    54    55    59    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    48    49    54    55    59    60    61    42    43    46  
   38    39    48    54    55    59    42  
   36    37  
   37  
    0  
   39    40    41    44    45    48    54    55    59    50    42    43    46    47    53  
   40    41    44    45    48    49    54    50    51    52    42    43    46  
   41    44    45    48    50    42  
   44    45    48    50    42  
   43    46    47    53    56    57    44    54  
   46    47    53  
   45    48    49    54    55    59    50    51    52  
   48    49    54    50    51    52  
   47    53    56    62    75    76    57    58    64  
   53    56    57  
   49    54    55    59    60    61    50    51    52  
   54    55    59    50  
   51    52    54  
   52  
    0  
   56    62    63    67    71    75    76    77    78    57    58    64    65    66  
   55    59    60    61  
   59    60    61  
   62    63    67    68    71    72    75    76    77    78    57    58    64    69  
   58    64    65    66    62    71    75    76    77    78  
   64    65    66    75    76    77    78  
   60    61  
   61  
    0  
   63    67    68    71    75    76    73    69    70  
   67    68    75    69  
   65    66    75    76    77    78  
   66    76  
   76  
   68    71    72    75    73    74    69    70  
   71    72    75    76    73    74    69    70  
   70    71    73  
    0  
   72    75    76    77    78    73    74  
   75    76    73  
   74    75  
    0  
   76    77    78  
   77    78  
   78  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.7500   0.1050   0.263400   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.273100   1.4250   1.2500   0.008598240   0.268726247
   48   3.3000   0.1700  -0.625000   1.8650   1.6500   0.051222218  -2.220205820
   49   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   53   3.2500   0.1700   0.218500   2.2900   2.0360   0.003973653   1.685851020
   54   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5500   0.0700   0.122500   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   67   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   69   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   76   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   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   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    54   268.000  1.529
   38    39   317.000  1.510
   38    42   549.000  1.340
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   268.000  1.529
   44    45   340.000  1.090
   44    48   305.000  1.457
   44    50   317.000  1.522
   48    49   434.000  1.010
   48    54   305.000  1.457
   54    55   340.000  1.090
   54    59   317.000  1.522
   59    60   656.000  1.250
   59    61   656.000  1.250
   50    51   656.000  1.250
   50    52   656.000  1.250
   42    43   340.000  1.080
   42    46   400.000  1.403
   46    47   385.000  1.083
   46    53   635.000  1.286
   53    56   340.000  1.432
   53    57   280.000  1.462
   56    62   469.000  1.400
   56    75   469.000  1.400
   62    63   367.000  1.080
   62    67   469.000  1.400
   67    68   469.000  1.400
   67    69   450.000  1.364
   68    71   469.000  1.400
   68    73   450.000  1.364
   71    72   367.000  1.080
   71    75   469.000  1.400
   75    76   317.000  1.510
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    57   268.000  1.529
   57    58   340.000  1.090
   57    64   317.000  1.522
   64    65   656.000  1.250
   64    66   656.000  1.250
   73    74   553.000  0.945
   69    70   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    54    75.00000  108.68000
   33    38    39    65.00000  117.92700
   33    38    42    70.00000  124.00000
   33    54    48    80.00000  111.22000
   33    54    55    37.50000  110.70000
   33    54    59    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  109.50000
   38    39    41    35.00000  109.50000
   38    39    44    70.00000  112.02700
   38    42    43    35.00000  120.00000
   38    42    46    65.00000  121.68800
   39    44    45    37.50000  110.70000
   39    44    48    80.00000  111.22000
   39    44    50    63.00000  111.10000
   41    39    40    33.00000  107.80000
   44    39    40    37.50000  110.70000
   44    39    41    37.50000  110.70000
   44    48    49    50.00000  111.55300
   44    48    54    51.80000  107.20000
   44    50    51    70.00000  117.00000
   44    50    52    70.00000  117.00000
   48    44    45    50.00000  109.55000
   48    54    55    50.00000  109.55000
   48    54    59    75.00000  111.54000
   54    33    34    37.50000  110.70000
   54    33    38    70.00000  112.02700
   54    48    49    50.00000  111.55300
   54    59    60    70.00000  117.00000
   54    59    61    70.00000  117.00000
   59    54    55    35.00000  109.50000
   61    59    60    80.00000  126.00000
   50    44    45    35.00000  109.50000
   50    44    48    75.00000  111.54000
   52    50    51    80.00000  126.00000
   42    38    39    70.00000  124.00000
   42    46    47    40.00000  123.36000
   42    46    53    65.00000  126.03000
   46    42    43    40.00000  116.17200
   46    53    56    65.00000  127.86000
   46    53    57    70.00000  122.59000
   53    46    47    45.00000  118.03900
   53    56    62    70.00000  116.83300
   53    56    75    70.00000  116.83300
   53    57    76    75.00000  111.57000
   53    57    58    50.00000  106.46400
   53    57    64    75.00000  110.00000
   56    62    63    35.00000  120.00000
   56    62    67    63.00000  120.00000
   56    75    71    63.00000  120.00000
   56    75    76    70.00000  120.00000
   62    67    68    63.00000  120.00000
   62    67    69    70.00000  120.00000
   67    62    63    35.00000  120.00000
   67    68    71    63.00000  120.00000
   67    68    73    70.00000  120.00000
   67    69    70    35.00000  113.00000
   68    71    72    35.00000  120.00000
   68    71    75    63.00000  120.00000
   68    73    74    35.00000  113.00000
   71    75    76    70.00000  120.00000
   75    56    62    63.00000  120.00000
   75    71    72    35.00000  120.00000
   75    76    77    35.00000  109.50000
   75    76    78    35.00000  109.50000
   75    76    57    63.00000  114.00000
   76    57    58    37.50000  110.70000
   76    57    64    63.00000  111.10000
   78    76    77    33.00000  107.80000
   57    53    56    70.00000  121.00000
   57    76    77    37.50000  110.70000
   57    76    78    37.50000  110.70000
   57    64    65    70.00000  117.00000
   57    64    66    70.00000  117.00000
   64    57    58    35.00000  109.50000
   66    64    65    80.00000  126.00000
   73    68    71    70.00000  120.00000
   69    67    68    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   0.01700  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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.30250  1.0 1.0
   29    33    38    39  -0.14950 -1.0 2.0
   29    33    38    39   0.36900  1.0 3.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    54    48   0.56750  1.0 1.0
   29    33    54    48  -0.07550 -1.0 2.0
   29    33    54    48   0.20000  1.0 3.0
   29    33    54    55   0.15000  1.0 3.0
   29    33    54    59  -2.17200  1.0 1.0
   29    33    54    59  -0.85700 -1.0 2.0
   33    38    39    40   0.34800  1.0 3.0
   33    38    39    41   0.34800  1.0 3.0
   33    38    39    44   0.46850  1.0 1.0
   33    38    39    44   0.08550 -1.0 2.0
   33    38    39    44   0.09800  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    46   7.00000 -1.0 2.0
   33    54    59    60   0.00000  1.0 1.0
   33    54    59    61   0.00000  1.0 1.0
   34    33    38    39   0.34800  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    54    48   0.15000  1.0 3.0
   34    33    54    55   0.15000  1.0 3.0
   34    33    54    59  -0.03800  1.0 3.0
   38    33    54    48   0.59950  1.0 1.0
   38    33    54    48  -0.21400 -1.0 2.0
   38    33    54    48   0.56200  1.0 3.0
   38    33    54    55   0.15000  1.0 3.0
   38    33    54    59  -0.98800  1.0 1.0
   38    33    54    59   0.48800 -1.0 2.0
   38    33    54    59   0.76800  1.0 3.0
   38    39    44    45   0.15000  1.0 3.0
   38    39   -44    48   0.59950  1.0 1.0
   38    39   -44    48  -0.21400 -1.0 2.0
   38    39   -44    48   0.56200  1.0 3.0
   38    39    44    50  -0.98800  1.0 1.0
   38    39    44    50   0.48800 -1.0 2.0
   38    39    44    50   0.76800  1.0 3.0
   38    42    46    47   1.36050 -1.0 2.0
   38    42    46    53   1.09700  1.0 1.0
   38    42    46    53   0.56350 -1.0 2.0
   38    42    46    53   0.49350  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    46   7.00000 -1.0 2.0
   39    44    48    49  -0.15950  1.0 1.0
   39    44    48    49   0.34650 -1.0 2.0
   39    44    48    49   0.05750  1.0 3.0
   39    44    48    54   0.23450  1.0 1.0
   39    44    48    54   0.02050 -1.0 2.0
   39    44    48    54   0.25250  1.0 3.0
   39    44    50    51   0.00000  1.0 1.0
   39    44    50    52   0.00000  1.0 1.0
   40    39    44    45   0.15000  1.0 3.0
   40    39    44    48   0.15000  1.0 3.0
   40    39    44    50  -0.03800  1.0 3.0
   41    39    44    45   0.15000  1.0 3.0
   41    39    44    48   0.15000  1.0 3.0
   41    39    44    50  -0.03800  1.0 3.0
   44    48   -54    33   0.23450  1.0 1.0
   44    48   -54    33   0.02050 -1.0 2.0
   44    48   -54    33   0.25250  1.0 3.0
   44    48    54    55   0.28000  1.0 3.0
   44    48    54    59  -1.76800  1.0 1.0
   44    48    54    59   1.02600 -1.0 2.0
   44    48    54    59   0.19700  1.0 3.0
   45    44    48    49   0.20000  1.0 3.0
   45    44    48    54   0.28000  1.0 3.0
   45    44    50    51   0.00000  1.0 1.0
   45    44    50    52   0.00000  1.0 1.0
   48    44    50    51   0.30150 -1.0 2.0
   48    44    50    52   0.30150 -1.0 2.0
   48    54    59    60   0.30150 -1.0 2.0
   48    54    59    61   0.30150 -1.0 2.0
   49    48    54    33  -0.15950  1.0 1.0
   49    48    54    33   0.34650 -1.0 2.0
   49    48    54    33   0.05750  1.0 3.0
   49    48    54    55   0.20000  1.0 3.0
   49    48    54    59   0.21900  1.0 1.0
   49    48    54    59  -0.24900 -1.0 2.0
   49    48    54    59   0.15200  1.0 3.0
   54    33   -38    39   0.46850  1.0 1.0
   54    33   -38    39   0.08550 -1.0 2.0
   54    33   -38    39   0.09800  1.0 3.0
   54    33    38    42   0.09850  1.0 1.0
   54    33    38    42   0.15250 -1.0 2.0
   54    33    38    42  -0.50650  1.0 3.0
   55    54    59    60   0.00000  1.0 1.0
   55    54    59    61   0.00000  1.0 1.0
   50    44    48    49   0.21900  1.0 1.0
   50    44    48    49  -0.24900 -1.0 2.0
   50    44    48    49   0.15200  1.0 3.0
   50    44    48    54  -1.76800  1.0 1.0
   50    44    48    54   1.02600 -1.0 2.0
   50    44    48    54   0.19700  1.0 3.0
   42    38    39    40   0.00000  1.0 1.0
   42    38    39    41   0.00000  1.0 1.0
   42    38    39    44   0.09850  1.0 1.0
   42    38    39    44   0.15250 -1.0 2.0
   42    38    39    44  -0.50650  1.0 3.0
   42    46    53    56   2.00000 -1.0 2.0
   42    46    53    57   2.00000 -1.0 2.0
   43    42    46    47   0.00000  1.0 1.0
   43    42    46    53   0.97550 -1.0 2.0
   46    53    56    62   1.00000 -1.0 2.0
   46    53    56    75   1.00000 -1.0 2.0
   46    53    57    76   0.00000  1.0 1.0
   46    53    57    58  -0.22200  1.0 3.0
   46    53    57    64   0.00000  1.0 1.0
   47    46    53    56   2.00000 -1.0 2.0
   47    46    53    57   2.00000 -1.0 2.0
   53    56    62    63   3.62500 -1.0 2.0
   53    56    62    67   3.62500 -1.0 2.0
   53    56    75    71   3.62500 -1.0 2.0
   53    56   -75    76   3.62500 -1.0 2.0
   53    57    64    65   0.30150 -1.0 2.0
   53    57    64    66   0.30150 -1.0 2.0
   56    53   -57    76   0.00000  1.0 1.0
   56    53    57    58   0.00000  1.0 1.0
   56    53    57    64   0.00000  1.0 1.0
   56    62    67    68   3.62500 -1.0 2.0
   56    62    67    69   3.62500 -1.0 2.0
   56    75    76    77   0.00000  1.0 1.0
   56    75    76    78   0.00000  1.0 1.0
   56    75   -76    57   0.00000  1.0 1.0
   62    56    75    71   3.62500 -1.0 2.0
   62    56    75    76   3.62500 -1.0 2.0
   62    67   -68    71   3.62500 -1.0 2.0
   62    67    68    73   3.62500 -1.0 2.0
   62    67    69    70   0.84100 -1.0 2.0
   63    62    67    68   3.62500 -1.0 2.0
   63    62    67    69   3.62500 -1.0 2.0
   67    68    71    72   3.62500 -1.0 2.0
   67    68    71    75   3.62500 -1.0 2.0
   67    68    73    74   0.84100 -1.0 2.0
   68    67    69    70   0.84100 -1.0 2.0
   68    71   -75    56   3.62500 -1.0 2.0
   68    71    75    76   3.62500 -1.0 2.0
   71    68    73    74   0.84100 -1.0 2.0
   71    75    76    77   0.00000  1.0 1.0
   71    75    76    78   0.00000  1.0 1.0
   71    75    76    57   0.00000  1.0 1.0
   72    71    75    56   3.62500 -1.0 2.0
   72    71    75    76   3.62500 -1.0 2.0
   75    56    62    63   3.62500 -1.0 2.0
   75    56   -62    67   3.62500 -1.0 2.0
   75    76   -57    53   0.56750  1.0 1.0
   75    76   -57    53  -0.07550 -1.0 2.0
   75    76   -57    53   0.20000  1.0 3.0
   75    76    57    58   0.23100  1.0 3.0
   75    76    57    64  -0.84850  1.0 1.0
   75    76    57    64  -0.22800 -1.0 2.0
   75    76    57    64   0.29250  1.0 3.0
   76    57    64    65   0.00000  1.0 1.0
   76    57    64    66   0.00000  1.0 1.0
   77    76    57    53   0.15000  1.0 3.0
   77    76    57    58   0.15000  1.0 3.0
   77    76    57    64  -0.03800  1.0 3.0
   78    76    57    53   0.15000  1.0 3.0
   78    76    57    58   0.15000  1.0 3.0
   78    76    57    64  -0.03800  1.0 3.0
   57    53    56    62   1.00000 -1.0 2.0
   57    53   -56    75   1.00000 -1.0 2.0
   58    57    64    65   0.00000  1.0 1.0
   58    57    64    66   0.00000  1.0 1.0
   73    68    71    72   3.62500 -1.0 2.0
   73    68    71    75   3.62500 -1.0 2.0
   69    67    68    71   3.62500 -1.0 2.0
   69    67    68    73   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
   33    39    38    42   1.10000 -1.0 2.0
   60    54    59    61  10.50000 -1.0 2.0
   51    44    50    52  10.50000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   42    47    46    53  10.50000 -1.0 2.0
   56    57    53    46   1.00000 -1.0 2.0
   62    75    56    53   4.00000 -1.0 2.0
   67    63    62    56   1.10000 -1.0 2.0
   68    69    67    62   4.00000 -1.0 2.0
   71    73    68    67   4.00000 -1.0 2.0
   75    72    71    68   1.10000 -1.0 2.0
   71    76    75    56   4.00000 -1.0 2.0
   65    57    64    66  10.50000 -1.0 2.0
END
