* LIGAND DATABASE FILE (OPLS2005)
*
001      83    87    150    241     433
    1     0 S   NP   _N1_     1    29.25128    94.09692   -27.52069
    2     1 S   H    _HN1     2     1.02777   134.30630   -94.33603
    3     1 S   H    _H1_     3     1.02957    81.19145    12.73681
    4     1 S   H    _H2_     4     1.02836    31.27167  -133.04106
    5     1 S   CT   _CA1     5     1.50131   105.01476   121.61509
    6     5 S   HC   _HA1     6     1.09576   105.20844    91.55995
    7     5 S   CO3  _C1_     7     1.53780   112.34020   -28.61193
    8     7 S   O2Z  _O11     8     1.26365   114.99744   -44.37339
    9     7 S   O2Z  _O12     9     1.26234   114.92638   134.68234
   10     5 S   CT   _CB1    10     1.53093   107.41849  -150.55481
   11    10 S   HC   HB11    11     1.09828   109.31152   -50.56061
   12    10 S   HC   HB12    12     1.09815   110.44162    65.98695
   13    10 S   CT   _CG1    13     1.53027   112.67958  -171.62900
   14    13 S   HC   HG11    14     1.09592   110.49690   -64.69277
   15    13 S   HC   HG12    15     1.09657   109.90854    54.51306
   16    13 S   C    _CD1    16     1.51849   112.28754   174.86012
   17    16 S   O    _OE1    17     1.22751   123.23798     0.79328
   18    16 S   N    _N2_    18     1.38582   111.73628  -179.16420
   19    18 S   H    _HN2    19     1.01561   118.91587     4.86953
   20    18 S   CT1  _CA2    20     1.45697   122.82600   177.55024
   21    20 S   HC   _HA2    21     1.09519   108.31979    23.45680
   22    20 S   C    _C2_    22     1.52808   108.07364   -92.72419
   23    22 S   O    _O2_    23     1.22909   123.13320   -29.00777
   24    20 S   CT   _CB2    32     1.53078   111.99881   146.70594
   25    24 S   HC   HB21    33     1.09574   111.20108    34.16969
   26    24 S   HC   HB22    34     1.09300   110.71108   152.47619
   27    22 S   N    _N3_    24     1.38691   112.13698   153.79595
   28    27 S   H    _HN3    25     1.01706   120.08000    -2.79799
   29    24 S   S    _SG2    35     1.82840   110.36672   -85.49735
   30    27 S   CT   _CA3    26     1.45292   122.68549   178.01811
   31    30 S   HC   HA31    27     1.09571   107.31629   -62.23893
   32    30 S   HC   HA32    28     1.09544   108.08317    53.99396
   33    29 S   CT   _C19    36     1.85829    99.65656  -132.97443
   34    33 S   HC   _H3_    37     1.09676   105.89070   -50.52934
   35    30 S   CO3  _C3_    29     1.52914   114.07970   175.50094
   36    35 S   O2Z  _O31    30     1.26357   115.93695   -23.91325
   37    35 S   O2Z  _O32    31     1.26410   114.60600   156.42117
   38    33 S   C5B  _C20    38     1.51371   110.68921    65.57642
   39    33 S   CM   _C16    69     1.55316   109.71105  -167.26319
   40    38 S   C56B _C23    39     1.43727   126.06307  -123.84136
   41    38 S   C5A  _C21    51     1.38994   127.26703    54.29339
   42    39 S   CMA  _C17    70     1.38318   118.82339    75.57231
   43    42 S   OM   _O35    71     1.27175   125.43091     4.32414
   44    40 S   CA   _C24    40     1.41173   134.18814    -1.59311
   45    44 S   HA   _H17    41     1.08629   120.82633    -1.00191
   46    41 S   CM   _C6_    52     1.42212   133.04306     3.96852
   47    42 S   OS   _O36    72     1.42098   113.67255  -176.54691
   48    44 S   CA   _C25    42     1.39957   119.55466   178.73933
   49    48 S   HA   _H18    43     1.08672   119.54733  -179.77706
   50    46 S   CM   _C7_    53     1.34872   120.50178    57.07340
   51    50 S   HC   _H7_    54     1.08872   118.84159   178.46954
   52    47 S   CT   _C18    73     1.42813   112.58350   123.27310
   53    52 S   HC   _H13    74     1.09398   107.75920  -170.34258
   54    52 S   HC   _H14    75     1.09474   111.04968    71.63036
   55    52 S   HC   _H15    76     1.09552   111.12403   -52.07666
   56    46 S   CO4  _C5_    77     1.49538   122.56406  -123.47823
   57    56 S   O    _O34    78     1.22361   124.25154  -171.51443
   58    48 S   CA   _C26    44     1.39202   120.69497    -0.03426
   59    58 S   HA   _H19    45     1.08697   119.67648  -179.58599
   60    50 S   C5B  _C8_    55     1.43210   126.43215     5.17290
   61    56 S   OS   _O33    79     1.36045   110.27122     8.38680
   62    58 S   CA   _C27    46     1.39670   120.90983     0.18871
   63    62 S   HA   _H20    47     1.08510   120.92530  -179.45500
   64    60 S   C56B _C9_    56     1.43106   124.12393   120.28829
   65    60 S   C5A  _C15    68     1.38779   127.44564   -59.70221
   66    61 S   CT   _C4_    80     1.43108   115.55442  -179.67434
   67    66 S   HC   _H4_    81     1.09304   108.20119  -172.94912
   68    66 S   HC   _H5_    82     1.09386   109.87807    68.39639
   69    66 S   HC   _H6_    83     1.09415   110.69621   -54.14848
   70    40 S   C56A _C22    48     1.39451   107.54651   177.38065
   71    64 S   CA   _C10    57     1.41201   134.64896     2.01868
   72    71 S   HA   _H8_    58     1.08632   120.76736     1.00600
   73    70 S   NA   _N5_    49     1.37408   107.21669     0.57130
   74    73 S   H    _H16    50     1.01102   124.22999  -179.28866
   75    71 S   CA   _C11    59     1.39967   119.43309  -179.11951
   76    75 S   HA   _H9_    60     1.08679   119.55087  -179.74131
   77    75 S   CA   _C12    61     1.39265   120.69019     0.39317
   78    77 S   HA   _H10    62     1.08705   119.61242   179.90513
   79    77 S   CA   _C13    63     1.39734   120.95168     0.14671
   80    79 S   HA   _H11    64     1.08488   120.98713   179.58646
   81    64 S   C56A _C14    65     1.39221   106.94388  -176.42281
   82    81 S   NA   _N4_    66     1.37324   106.94027     0.00000
   83    82 S   H    _H12    67     1.01069   124.27004  -179.12419
  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
  15   6   2   1   1  15  13  12  12   9   3   8   4  12   5   6
   3  11   4   3   2   1   1   8   2   5   3   9   4   4   2  11
   5   3   2   1   1   2   8   4   1   1   6   3   5   3   4   2
   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    41    65    39    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    44    70    73    41    46    60    82    65    39    42    43    47  
   38    40    41    65    39    42  
   36    37  
   37  
    0  
   40    44    45    48    62    70    73    74    41    46    50    65    39    42    56  
   42    43    47    52    40    41    50    60    64    65    81    82    83  
   44    45    48    49    58    62    63    70    73    74    41    46  
   46    50    51    60    56    57    61    44    62    70    73    74  
   43    47    52    53    54    55    60    65    82  
   47    52    65  
   45    48    49    58    59    62    70    73  
   48    49    58    70  
   50    51    60    64    65    56    57    61    66    70    73    74  
   52    53    54    55    65  
   49    58    59    62    63    70  
   58    59    62  
   51    60    64    71    81    82    65    56    57    61    73  
   60    64    65    56  
   53    54    55  
   54    55  
   55  
    0  
   57    61    66    67    68    69    60    73  
   61    66  
   59    62    63    70    73  
   62    63    70  
   64    71    72    75    79    81    82    83    65  
   66    67    68    69  
   63    70    73    74  
   70    73  
   71    72    75    76    77    79    80    81    82    83    65  
   71    79    81    82    83  
   67    68    69  
   68    69  
   69  
    0  
   73    74  
   72    75    76    77    78    79    81    82  
   75    76    77    81  
   74  
    0  
   76    77    78    79    80    81  
   77    78    79  
   78    79    80    81    82  
   79    80    81  
   80    81    82    83  
   81    82  
   82    83  
   83  
    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   0.163400   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   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700   0.085700   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   46   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   60   3.5500   0.0700  -0.119000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   62   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   64   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700   0.085700   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   68   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   69   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   70   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   73   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   74   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   79   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   81   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
   82   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   83   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   295.000  1.494
   33    39   317.000  1.510
   38    40   380.000  1.440
   38    41   520.000  1.370
   40    44   469.000  1.404
   40    70   447.000  1.419
   44    45   367.000  1.080
   44    48   469.000  1.400
   48    49   367.000  1.080
   48    58   469.000  1.400
   58    59   367.000  1.080
   58    62   469.000  1.400
   62    63   367.000  1.080
   62    70   469.000  1.400
   70    73   428.000  1.380
   73    74   434.000  1.010
   73    41   427.000  1.381
   41    46   375.000  1.423
   46    50   549.000  1.340
   46    56   320.000  1.462
   50    51   340.000  1.080
   50    60   320.000  1.460
   60    64   380.000  1.440
   60    65   520.000  1.370
   64    71   469.000  1.404
   64    81   447.000  1.419
   71    72   367.000  1.080
   71    75   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    78   367.000  1.080
   77    79   469.000  1.400
   79    80   367.000  1.080
   79    81   469.000  1.400
   81    82   428.000  1.380
   82    83   434.000  1.010
   82    65   427.000  1.381
   65    39   375.000  1.423
   39    42   465.000  1.376
   42    43   745.000  1.250
   42    47   440.000  1.360
   47    52   320.000  1.410
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   56    57   570.000  1.229
   56    61   214.000  1.327
   61    66   320.000  1.410
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   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    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    40    55.00000  128.73000
   33    38    41    55.00000  127.77900
   33    39    65    65.00000  118.87000
   33    39    42    70.00000  124.00000
   38    33    34    45.00000  111.11700
   38    40    44    50.00000  134.85500
   38    40    70    80.00000  107.43600
   38    41    73    70.00000  106.30000
   38    41    46    55.00000  128.32000
   40    44    45    35.00000  120.00000
   40    44    48    63.00000  120.00000
   40    70    62    85.00000  122.70000
   40    70    73    70.00000  104.40000
   44    48    49    35.00000  120.00000
   44    48    58    63.00000  120.00000
   48    44    45    35.00000  120.00000
   48    58    59    35.00000  120.00000
   48    58    62    63.00000  120.00000
   58    48    49    35.00000  120.00000
   58    62    63    35.00000  120.00000
   58    62    70    85.00000  120.00000
   62    58    59    35.00000  120.00000
   62    70    73    70.00000  132.80000
   70    40    44    85.00000  116.20000
   70    62    63    35.00000  120.00000
   70    73    74    35.00000  123.10000
   70    73    41    90.00000  107.14200
   73    41    46    70.00000  120.38000
   41    38    40    80.00000  105.82900
   41    73    74    35.00000  120.00000
   41    46    50    55.00000  128.24000
   41    46    56    75.00000  114.44000
   46    50    51    35.00000  120.00000
   46    50    60    60.00000  123.20500
   46    56    57    80.00000  123.72100
   46    56    61    90.00000  111.29400
   50    60    64    60.00000  120.93500
   50    60    65    60.00000  120.93500
   60    50    51    40.00000  117.26300
   60    64    71    50.00000  134.85500
   60    64    81    80.00000  107.43600
   60    65    82    70.00000  106.30000
   60    65    39    55.00000  128.32000
   64    71    72    35.00000  120.00000
   64    71    75    63.00000  120.00000
   64    81    79    85.00000  122.70000
   64    81    82    70.00000  104.40000
   71    75    76    35.00000  120.00000
   71    75    77    63.00000  120.00000
   75    71    72    35.00000  120.00000
   75    77    78    35.00000  120.00000
   75    77    79    63.00000  120.00000
   77    75    76    35.00000  120.00000
   77    79    80    35.00000  120.00000
   77    79    81    85.00000  120.00000
   79    77    78    35.00000  120.00000
   79    81    82    70.00000  132.80000
   81    64    71    85.00000  116.20000
   81    79    80    35.00000  120.00000
   81    82    83    35.00000  123.10000
   81    82    65    90.00000  107.14200
   82    65    39    70.00000  120.38000
   65    60    64    80.00000  105.82900
   65    82    83    35.00000  120.00000
   65    39    42    55.00000  128.24000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.36000
   39    42    43    65.00000  137.10300
   39    42    47    80.00000  120.01400
   42    47    52    90.00000  111.18400
   47    42    43    65.00000  121.00000
   47    52    53    35.00000  109.50000
   47    52    54    35.00000  109.50000
   47    52    55    35.00000  109.50000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   56    46    50    65.00000  118.96000
   56    61    66    83.00000  116.90000
   61    56    57    83.00000  123.40000
   61    66    67    35.00000  109.50000
   61    66    68    35.00000  109.50000
   61    66    69    35.00000  109.50000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   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    40  -0.16000  1.0 1.0
   29    33    38    40  -0.03200 -1.0 2.0
   29    33    38    40   0.04500  1.0 3.0
   29    33    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    39    65   0.09700  1.0 1.0
   29    33    39    65   0.15600 -1.0 2.0
   29    33    39    65  -0.50800  1.0 3.0
   29    33    39    42   0.42700  1.0 1.0
   29    33    39    42  -0.70350 -1.0 2.0
   29    33    39    42  -0.43150  1.0 3.0
   33    38    40    44   3.62500 -1.0 2.0
   33    38    40    70   3.62500 -1.0 2.0
   33    38    41    73   3.62500 -1.0 2.0
   33    38    41    46   3.62500 -1.0 2.0
   33    39    42    43   7.00000 -1.0 2.0
   33    39    42    47   7.00000 -1.0 2.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    39    65   0.77000  1.0 3.0
   34    33    39    42   0.00000  1.0 1.0
   38    33    39    65   0.09700  1.0 1.0
   38    33    39    65   0.15600 -1.0 2.0
   38    33    39    65  -0.50800  1.0 3.0
   38    33    39    42   1.44450  1.0 1.0
   38    33    39    42   0.06600 -1.0 2.0
   38    33    39    42   0.29250  1.0 3.0
   38    40    44    45   3.62500 -1.0 2.0
   38    40    44    48   3.62500 -1.0 2.0
   38    40    70    62   3.00000 -1.0 2.0
   38    40   -70    73   3.00000 -1.0 2.0
   38    41    46    50   0.15800  1.0 1.0
   38    41    46    50   1.85350 -1.0 2.0
   38    41    46    50  -0.48700  1.0 3.0
   38    41    46    56  -0.01750  1.0 1.0
   38    41    46    56  -0.32000 -1.0 2.0
   38    41    46    56   0.00600  1.0 3.0
   40    38   -41    73   3.62500 -1.0 2.0
   40    38    41    46   3.62500 -1.0 2.0
   40    44    48    49   3.62500 -1.0 2.0
   40    44    48    58   3.62500 -1.0 2.0
   40    70    73    74   1.52500 -1.0 2.0
   40    70   -73    41   3.62500 -1.0 2.0
   44    40    70    62   3.00000 -1.0 2.0
   44    40    70    73   3.00000 -1.0 2.0
   44    48    58    59   3.62500 -1.0 2.0
   44    48   -58    62   3.62500 -1.0 2.0
   45    44    48    49   3.62500 -1.0 2.0
   45    44    48    58   3.62500 -1.0 2.0
   48    58    62    63   3.62500 -1.0 2.0
   48    58    62    70   3.62500 -1.0 2.0
   49    48    58    59   3.62500 -1.0 2.0
   49    48    58    62   3.62500 -1.0 2.0
   58    62   -70    40   3.62500 -1.0 2.0
   58    62    70    73   3.62500 -1.0 2.0
   59    58    62    63   3.62500 -1.0 2.0
   59    58    62    70   3.62500 -1.0 2.0
   62    70    73    74   1.52500 -1.0 2.0
   62    70    73    41   3.62500 -1.0 2.0
   63    62    70    40   3.62500 -1.0 2.0
   63    62    70    73   3.62500 -1.0 2.0
   70    40    44    45   3.50000 -1.0 2.0
   70    40   -44    48   3.50000 -1.0 2.0
   70    73   -41    38   3.62500 -1.0 2.0
   70    73    41    46   3.62500 -1.0 2.0
   73    41    46    50   0.11450  1.0 1.0
   73    41    46    50   1.85100 -1.0 2.0
   73    41    46    50  -0.49050  1.0 3.0
   73    41    46    56  -0.01750  1.0 1.0
   73    41    46    56  -0.32000 -1.0 2.0
   73    41    46    56   0.00600  1.0 3.0
   74    73    41    38   1.40000 -1.0 2.0
   74    73    41    46   2.00000 -1.0 2.0
   41    38    40    44   3.62500 -1.0 2.0
   41    38   -40    70   3.50000 -1.0 2.0
   41    46    50    51   7.00000 -1.0 2.0
   41    46    50    60   7.00000 -1.0 2.0
   41    46    56    57  -0.52200  1.0 1.0
   41    46    56    57   0.82950 -1.0 2.0
   41    46    56    61   1.50000 -1.0 2.0
   46    50    60    64   0.15800  1.0 1.0
   46    50    60    64   1.85350 -1.0 2.0
   46    50    60    64  -0.48700  1.0 3.0
   46    50    60    65   0.15800  1.0 1.0
   46    50    60    65   1.85350 -1.0 2.0
   46    50    60    65  -0.48700  1.0 3.0
   46    56    61    66   2.00000 -1.0 2.0
   50    46    56    57   1.00000 -1.0 2.0
   50    46    56    61  -0.56150  1.0 1.0
   50    46    56    61   2.19150 -1.0 2.0
   50    60    64    71   3.62500 -1.0 2.0
   50    60    64    81   3.62500 -1.0 2.0
   50    60    65    82   3.62500 -1.0 2.0
   50    60    65    39   3.62500 -1.0 2.0
   51    50    60    64   0.56550  1.0 3.0
   51    50    60    65   0.56550  1.0 3.0
   60    64    71    72   3.62500 -1.0 2.0
   60    64    71    75   3.62500 -1.0 2.0
   60    64    81    79   3.00000 -1.0 2.0
   60    64   -81    82   3.00000 -1.0 2.0
   60    65    39    33  -0.02500  1.0 1.0
   60    65    39    33  -0.32150 -1.0 2.0
   60    65    39    33  -0.01500  1.0 3.0
   60    65    39    42   0.15800  1.0 1.0
   60    65    39    42   1.85350 -1.0 2.0
   60    65    39    42  -0.48700  1.0 3.0
   64    60   -65    82   3.62500 -1.0 2.0
   64    60    65    39   3.62500 -1.0 2.0
   64    71    75    76   3.62500 -1.0 2.0
   64    71    75    77   3.62500 -1.0 2.0
   64    81    82    83   1.52500 -1.0 2.0
   64    81   -82    65   3.62500 -1.0 2.0
   71    64    81    79   3.00000 -1.0 2.0
   71    64    81    82   3.00000 -1.0 2.0
   71    75    77    78   3.62500 -1.0 2.0
   71    75   -77    79   3.62500 -1.0 2.0
   72    71    75    76   3.62500 -1.0 2.0
   72    71    75    77   3.62500 -1.0 2.0
   75    77    79    80   3.62500 -1.0 2.0
   75    77    79    81   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   76    75    77    79   3.62500 -1.0 2.0
   77    79   -81    64   3.62500 -1.0 2.0
   77    79    81    82   3.62500 -1.0 2.0
   78    77    79    80   3.62500 -1.0 2.0
   78    77    79    81   3.62500 -1.0 2.0
   79    81    82    83   1.52500 -1.0 2.0
   79    81    82    65   3.62500 -1.0 2.0
   80    79    81    64   3.62500 -1.0 2.0
   80    79    81    82   3.62500 -1.0 2.0
   81    64    71    72   3.50000 -1.0 2.0
   81    64   -71    75   3.50000 -1.0 2.0
   81    82   -65    60   3.62500 -1.0 2.0
   81    82    65    39   3.62500 -1.0 2.0
   82    65    39    33  -0.01750  1.0 1.0
   82    65    39    33  -0.32000 -1.0 2.0
   82    65    39    33   0.00600  1.0 3.0
   82    65    39    42   0.11450  1.0 1.0
   82    65    39    42   1.85100 -1.0 2.0
   82    65    39    42  -0.49050  1.0 3.0
   83    82    65    60   1.40000 -1.0 2.0
   83    82    65    39   2.00000 -1.0 2.0
   65    60    64    71   3.62500 -1.0 2.0
   65    60   -64    81   3.50000 -1.0 2.0
   65    39    42    43   7.00000 -1.0 2.0
   65    39    42    47   7.00000 -1.0 2.0
   39    33    38    40   0.18050 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    42    47    52  -2.26850  1.0 1.0
   39    42    47    52   3.39050 -1.0 2.0
   42    47    52    53   0.08050  1.0 3.0
   42    47    52    54   0.08050  1.0 3.0
   42    47    52    55   0.08050  1.0 3.0
   43    42    47    52   2.00000 -1.0 2.0
   56    46    50    51   7.00000 -1.0 2.0
   56    46    50    60   7.00000 -1.0 2.0
   56    61    66    67   0.08050  1.0 3.0
   56    61    66    68   0.08050  1.0 3.0
   56    61    66    69   0.08050  1.0 3.0
   57    56    61    66   3.00000 -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
   40    41    38    33   4.00000 -1.0 2.0
   44    70    40    38   4.00000 -1.0 2.0
   48    45    44    40   1.10000 -1.0 2.0
   58    49    48    44   1.10000 -1.0 2.0
   62    59    58    48   1.10000 -1.0 2.0
   70    63    62    58   1.10000 -1.0 2.0
   62    73    70    40   4.00000 -1.0 2.0
   74    70    73    41   1.00000 -1.0 2.0
   73    46    41    38   4.00000 -1.0 2.0
   41    56    46    50   1.10000 -1.0 2.0
   60    51    50    46   1.10000 -1.0 2.0
   64    65    60    50   4.00000 -1.0 2.0
   71    81    64    60   4.00000 -1.0 2.0
   75    72    71    64   1.10000 -1.0 2.0
   77    76    75    71   1.10000 -1.0 2.0
   79    78    77    75   1.10000 -1.0 2.0
   81    80    79    77   1.10000 -1.0 2.0
   79    82    81    64   4.00000 -1.0 2.0
   83    81    82    65   1.00000 -1.0 2.0
   82    39    65    60   4.00000 -1.0 2.0
   33    65    39    42   1.10000 -1.0 2.0
   43    47    42    39   1.10000 -1.0 2.0
   46    61    56    57  10.50000 -1.0 2.0
END
