* LIGAND DATABASE FILE (OPLS2005)
*
001      83    87    159    253     462
    1     0 S   NP   _N1_     1    28.11595    95.80504   -25.30580
    2     1 S   H    _HN1     2     1.02957    82.90410    -5.95167
    3     1 S   H    _H1_     3     1.02835    24.57052   163.29309
    4     1 S   H    _H2_     4     1.02776   112.55544  -112.91438
    5     1 S   CT   _CA1     5     1.50137   125.43860   104.05977
    6     5 S   HC   _HA1     6     1.09577   105.19730    81.61389
    7     5 S   CO3  _C1_     7     1.53780   112.38413   -38.53848
    8     7 S   O2Z  _O11     8     1.26366   114.99074   -43.12746
    9     7 S   O2Z  _O12     9     1.26237   114.93279   135.92661
   10     5 S   CT   _CB1    10     1.53095   107.41803  -160.48955
   11    10 S   HC   HB11    11     1.09828   109.29477   -50.45495
   12    10 S   HC   HB12    12     1.09815   110.43924    66.09449
   13    10 S   CT   _CG1    13     1.53022   112.69061  -171.52690
   14    13 S   HC   HG11    14     1.09593   110.49691   -65.19130
   15    13 S   HC   HG12    15     1.09660   109.90013    54.00788
   16    13 S   C    _CD1    16     1.51850   112.31929   174.35246
   17    16 S   O    _OE1    17     1.22754   123.28775     1.23289
   18    16 S   N    _N2_    18     1.38570   111.71672  -178.67677
   19    18 S   H    _HN2    19     1.01553   119.03523     4.13536
   20    18 S   CT1  _CA2    20     1.45839   122.85283   177.76183
   21    20 S   HC   _HA2    21     1.09728   108.88501    25.41112
   22    20 S   C    _C2_    22     1.52945   106.96057   -91.65023
   23    22 S   O    _O2_    23     1.22987   123.03937   -27.41502
   24    20 S   CT   _CB2    32     1.53152   112.25147   148.63297
   25    24 S   HC   HB21    33     1.09609   110.24646    54.18450
   26    24 S   HC   HB22    34     1.09510   110.09781   173.13456
   27    22 S   N    _N3_    24     1.38500   112.59650   155.29471
   28    27 S   H    _HN3    25     1.01661   120.34549    -1.88907
   29    24 S   S    _SG2    35     1.82541   111.23189   -66.65734
   30    27 S   CT   _CA3    26     1.45359   122.45775   178.69464
   31    30 S   HC   HA31    27     1.09567   107.77023   -56.76022
   32    30 S   HC   HA32    28     1.09565   107.63525    59.55661
   33    29 S   CT   _C22    36     1.82047    99.29371   174.11091
   34    33 S   HC   _H3_    37     1.09809   102.50265   -59.81119
   35    30 S   CO3  _C3_    29     1.52886   114.36404  -178.61931
   36    35 S   O2Z  _O31    30     1.26332   116.06797     0.79770
   37    35 S   O2Z  _O32    31     1.26440   114.40841  -179.24385
   38    33 S   CM   _C14    38     1.53494   118.19361  -177.07404
   39    38 S   CT   _C20    39     1.54323   109.17187   165.53969
   40    39 S   HC   _H40    40     1.09919   109.36225   142.46467
   41    38 S   CMA  _C15    77     1.36875   129.99967   -17.79018
   42    41 S   OM   _O24    78     1.26710   126.71749    -1.64996
   43    39 S   CM   _C13    41     1.52346   110.65423    27.07788
   44    39 S   CT   _C17    67     1.54339   111.51570   -97.15393
   45    44 S   HC   _H35    68     1.09990   110.03193    52.62883
   46    44 S   HC   _H36    69     1.09729   109.84972   -63.94509
   47    41 S   OS   _O26    79     1.42317   111.20562  -179.51949
   48    43 S   CM   _C12    42     1.34328   119.51318  -147.28511
   49    48 S   HC   _H32    43     1.08367   122.00071   178.55666
   50    43 S   CT   _C21    70     1.51144   113.87026    30.50494
   51    50 S   HC   _H41    71     1.09792   107.83891    60.09621
   52    47 S   CT   _C24    80     1.42759   114.08878  -140.15013
   53    52 S   HC   _H46    81     1.09403   107.72993   170.75405
   54    52 S   HC   _H47    82     1.09543   111.10518    52.61668
   55    52 S   HC   _H48    83     1.09477   111.03970   -71.31548
   56    48 S   NE   _N23    44     1.38394   124.73534    -0.35388
   57    33 S   OS   _O25    72     1.43697   110.80832    54.32062
   58    50 S   CT   _C23    73     1.52622   116.37184  -179.57525
   59    58 S   HC   _H43    74     1.09599   111.15736    63.44559
   60    58 S   HC   _H44    75     1.09449   111.74971   -58.57291
   61    58 S   HC   _H45    76     1.09597   110.21350  -178.93394
   62    56 S   CT   _C18    45     1.47672   122.47060  -177.90856
   63    62 S   HC   _H37    46     1.09756   108.46082   107.36276
   64    62 S   HC   _H38    47     1.09660   111.18531    -9.98048
   65    62 S   CT   _C16    48     1.54270   111.33380  -131.40311
   66    65 S   HC   _H33    49     1.09538   109.52245  -172.04865
   67    65 S   HC   _H34    50     1.09683   109.55800    69.93413
   68    65 S   C5B  _C9_    51     1.48932   110.46787   -49.83158
   69    68 S   C56B _C8_    52     1.42086   131.38569  -156.10210
   70    68 S   C5A  _C11    64     1.37826   121.02521    24.24516
   71    69 S   CA   _C6_    53     1.40925   134.47110    -0.22117
   72    71 S   HA   _H30    54     1.08617   120.73331    -0.12820
   73    56 S   CT   _C19    65     1.49055   120.28102    -5.32403
   74    73 S   HC   _H39    66     1.09843   107.70626   -85.33817
   75    71 S   CA   _C4_    55     1.39953   119.29205   179.90109
   76    75 S   HA   _H28    56     1.08689   119.52021   180.00000
   77    75 S   CA   _C5_    57     1.39323   120.76786    -0.03426
   78    77 S   HA   _H29    58     1.08717   119.55351  -179.97202
   79    77 S   CA   _C7_    59     1.39781   121.04792    -0.02798
   80    79 S   HA   _H31    60     1.08493   120.91010  -179.96574
   81    69 S   C56A _C10    61     1.39978   106.82512   179.64064
   82    81 S   NA   _N22    62     1.37951   107.49812    -0.02798
   83    82 S   H    _H49    63     1.01089   124.84082  -179.78330
  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   7   5   4   3
  13   5   2   1   1  14  18   8   9   2  15  11   5   4   4  13
   4   7   5   3   2   1   1  11   4   3   2   1   1  10   6   5
   9   4   3  11  12   7   8   4   4   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    57    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    50    57    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    50    51    57    58    41    42    47  
   38    39    50    57    41  
   36    37  
   37  
    0  
   39    40    43    48    73    44    45    46    50    57    41    42    47    52  
   40    43    48    49    56    70    73    74    44    45    46    50    51    57    58    41    42    47  
   43    48    73    44    45    46    50    41  
   42    47    52    53    54    55    43    44    57  
   47    52  
   48    49    56    62    73    44    45    46    50    51    57    58    59    60    61  
   45    46    50    48    56    62    68    70    73    74    82  
   46    56    70    73    74  
   56    70    73    74  
   52    53    54    55  
   49    56    62    63    64    65    70    73    74    50    51    57    58  
   56    62    73    50  
   51    57    58    59    60    61    56  
   57    58    59    60    61  
   53    54    55  
   54    55  
   55  
    0  
   62    63    64    65    66    67    68    82    70    73    74  
   58    59    60    61  
   59    60    61  
   60    61  
   61  
    0  
   63    64    65    66    67    68    69    70    73    74  
   64    65    66    67    68    73  
   65    66    67    68    73  
   66    67    68    69    71    81    82    70    73  
   67    68    69    70  
   68    69    70  
   69    71    72    75    79    81    82    83    70    73    74  
   71    72    75    76    77    79    80    81    82    83    70    73  
   73    74    71    79    81    82    83  
   72    75    76    77    78    79    81    82  
   75    76    77    81  
   74    81    82    83  
   82  
   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  -0.316400   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   0.387900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5500   0.0760  -0.097000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   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   3.2500   0.1700  -0.488600   1.9050   1.6860   0.051222218  -2.220205820
   57   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.115300   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.064100   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0700  -0.029300   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   3.5000   0.0660   0.290300   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   317.000  1.510
   33    57   320.000  1.410
   38    39   317.000  1.510
   38    41   465.000  1.376
   39    40   340.000  1.090
   39    43   317.000  1.510
   39    44   268.000  1.529
   43    48   549.000  1.340
   43    50   317.000  1.510
   48    49   340.000  1.080
   48    56   425.000  1.378
   56    62   382.000  1.448
   56    73   382.000  1.448
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   295.000  1.494
   68    69   380.000  1.440
   68    70   520.000  1.370
   69    71   469.000  1.404
   69    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    70   427.000  1.381
   70    73   295.000  1.489
   73    74   340.000  1.090
   73    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   50    51   340.000  1.090
   50    57   320.000  1.410
   50    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   41    42   745.000  1.250
   41    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
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    57    85.00000  114.68000
   33    38    39    65.00000  117.92700
   33    38    41    70.00000  124.00000
   33    57    50    60.00000  109.50000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  109.50000
   38    39    43    70.00000  110.12100
   38    39    44    70.00000  112.02700
   38    41    42    65.00000  137.10300
   38    41    47    80.00000  120.01400
   39    43    48    70.00000  124.00000
   39    43    50    65.00000  117.92700
   39    44    73    58.35000  112.70000
   39    44    45    37.50000  110.70000
   39    44    46    37.50000  110.70000
   43    39    40    35.00000  109.50000
   43    48    49    35.00000  120.00000
   43    48    56    70.00000  124.03900
   43    50    51    35.00000  109.50000
   43    50    57    85.00000  110.90400
   43    50    58    70.00000  112.02700
   48    56    62    50.00000  121.00000
   48    56    73    50.00000  121.00000
   56    48    49    50.00000  112.30800
   56    62    63    35.00000  109.50000
   56    62    64    35.00000  109.50000
   56    62    65    80.00000  111.61500
   56    73    70    75.00000  112.06000
   56    73    74    35.00000  109.50000
   56    73    44    80.00000  111.61500
   62    65    66    37.50000  110.70000
   62    65    67    37.50000  110.70000
   62    65    68    70.00000  112.62400
   64    62    63    33.00000  107.80000
   65    62    63    37.50000  110.70000
   65    62    64    37.50000  110.70000
   65    68    69    55.00000  128.73000
   65    68    70    55.00000  127.77900
   67    65    66    33.00000  107.80000
   68    65    66    45.00000  111.11700
   68    65    67    45.00000  111.11700
   68    69    71    50.00000  134.85500
   68    69    81    80.00000  107.43600
   68    70    82    70.00000  106.30000
   68    70    73    55.00000  130.44200
   69    71    72    35.00000  120.00000
   69    71    75    63.00000  120.00000
   69    81    79    85.00000  122.70000
   69    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    69    71    85.00000  116.20000
   81    79    80    35.00000  120.00000
   81    82    83    35.00000  123.10000
   81    82    70    90.00000  107.14200
   82    70    73    65.00000  122.56900
   70    68    69    80.00000  105.82900
   70    82    83    35.00000  120.00000
   70    73    74    45.00000  110.47400
   70    73    44    70.00000  113.44400
   73    56    62    50.00000  115.00000
   73    44    45    37.50000  110.70000
   73    44    46    37.50000  110.70000
   44    39    40    37.50000  110.70000
   44    39    43    70.00000  112.02700
   44    73    74    37.50000  110.70000
   46    44    45    33.00000  107.80000
   50    43    48    70.00000  124.00000
   50    58    59    37.50000  110.70000
   50    58    60    37.50000  110.70000
   50    58    61    37.50000  110.70000
   57    33    34    35.00000  109.50000
   57    33    38    85.00000  110.90400
   57    50    51    35.00000  109.50000
   58    50    51    37.50000  110.70000
   58    50    57    50.00000  109.50000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   41    38    39    70.00000  124.00000
   41    47    52    90.00000  111.18400
   47    41    42    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
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    57   0.13850  1.0 1.0
   24    29    33    57  -1.34450 -1.0 2.0
   24    29    33    57   0.57400  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    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    57    50   0.14700  1.0 1.0
   29    33    57    50  -1.16150 -1.0 2.0
   29    33    57    50   0.48700  1.0 3.0
   33    38    39    40   0.34800  1.0 3.0
   33    38    39    43   0.09700  1.0 1.0
   33    38    39    43   0.15600 -1.0 2.0
   33    38    39    43  -0.50800  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    41    42   7.00000 -1.0 2.0
   33    38    41    47   7.00000 -1.0 2.0
   34    33    38    39   0.34800  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    57    50   0.37050  1.0 3.0
   38    33    57    50  -0.77900  1.0 1.0
   38    33    57    50  -0.36900 -1.0 2.0
   38    33    57    50   0.40400  1.0 3.0
   38    39    43    48  -0.28300  1.0 1.0
   38    39    43    48   0.26700 -1.0 2.0
   38    39    43    48  -0.63300  1.0 3.0
   38    39   -43    50   0.09700  1.0 1.0
   38    39   -43    50   0.15600 -1.0 2.0
   38    39   -43    50  -0.50800  1.0 3.0
   38    39    44    73   0.34400  1.0 1.0
   38    39    44    73   0.09450 -1.0 2.0
   38    39    44    73   0.11100  1.0 3.0
   38    39    44    45   0.15000  1.0 3.0
   38    39    44    46   0.15000  1.0 3.0
   38    41    47    52  -2.26850  1.0 1.0
   38    41    47    52   3.39050 -1.0 2.0
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    47   7.00000 -1.0 2.0
   39    43    48    49   7.00000 -1.0 2.0
   39    43    48    56   7.00000 -1.0 2.0
   39    43    50    51   0.34800  1.0 3.0
   39    43    50    57   0.09700  1.0 1.0
   39    43    50    57   0.15600 -1.0 2.0
   39    43    50    57  -0.50800  1.0 3.0
   39    43    50    58   0.46850  1.0 1.0
   39    43    50    58   0.08550 -1.0 2.0
   39    43    50    58   0.09800  1.0 3.0
   40    39    43    48   0.00000  1.0 1.0
   40    39    43    50   0.34800  1.0 3.0
   40    39    44    73   0.15000  1.0 3.0
   40    39    44    45   0.15000  1.0 3.0
   40    39    44    46   0.15000  1.0 3.0
   43    39    44    73   0.34400  1.0 1.0
   43    39    44    73   0.09450 -1.0 2.0
   43    39    44    73   0.11100  1.0 3.0
   43    39    44    45   0.15000  1.0 3.0
   43    39    44    46   0.15000  1.0 3.0
   43    48    56    62  -0.54700  1.0 1.0
   43    48    56    62   1.23000 -1.0 2.0
   43    48   -56    73  -0.54700  1.0 1.0
   43    48   -56    73   1.23000 -1.0 2.0
   43    50   -57    33  -0.77900  1.0 1.0
   43    50   -57    33  -0.36900 -1.0 2.0
   43    50   -57    33   0.40400  1.0 3.0
   43    50    58    59   0.15000  1.0 3.0
   43    50    58    60   0.15000  1.0 3.0
   43    50    58    61   0.15000  1.0 3.0
   48    43    50    51   0.00000  1.0 1.0
   48    43    50    57   0.39000  1.0 1.0
   48    43    50    57  -0.05800 -1.0 2.0
   48    43    50    57  -0.55150  1.0 3.0
   48    43    50    58   0.09850  1.0 1.0
   48    43    50    58   0.15250 -1.0 2.0
   48    43    50    58  -0.50650  1.0 3.0
   48    56    62    63   0.00000  1.0 1.0
   48    56    62    64   0.00000  1.0 1.0
   48    56    62    65   0.25450  1.0 1.0
   48    56    62    65  -0.61700 -1.0 2.0
   48    56    62    65  -0.23550  1.0 3.0
   48    56    73    70  -0.12500  1.0 1.0
   48    56    73    70  -0.12500 -1.0 2.0
   48    56    73    70   0.25000  1.0 3.0
   48    56    73    74   0.00000  1.0 1.0
   48    56    73    44   0.25450  1.0 1.0
   48    56    73    44  -0.61700 -1.0 2.0
   48    56    73    44  -0.23550  1.0 3.0
   49    48    56    62   0.00000  1.0 1.0
   49    48    56    73   0.00000  1.0 1.0
   56    62    65    66   0.22950  1.0 3.0
   56    62    65    67   0.22950  1.0 3.0
   56    62    65    68   0.08550  1.0 1.0
   56    62    65    68   1.07500 -1.0 2.0
   56    62    65    68  -0.10950  1.0 3.0
   56    73   -44    39   1.26750  1.0 1.0
   56    73   -44    39  -0.00950 -1.0 2.0
   56    73   -44    39   0.30600  1.0 3.0
   56    73    44    45   0.22950  1.0 3.0
   56    73    44    46   0.22950  1.0 3.0
   62    56    73    70   0.00000  1.0 1.0
   62    56    73    74   0.00000  1.0 1.0
   62    56    73    44   0.00000  1.0 1.0
   62    65    68    69   0.04150 -1.0 2.0
   62    65   -68    70   0.04150 -1.0 2.0
   63    62    65    66   0.15000  1.0 3.0
   63    62    65    67   0.15000  1.0 3.0
   63    62    65    68   0.43200  1.0 3.0
   64    62    65    66   0.15000  1.0 3.0
   64    62    65    67   0.15000  1.0 3.0
   64    62    65    68   0.43200  1.0 3.0
   65    68    69    71   3.62500 -1.0 2.0
   65    68    69    81   3.62500 -1.0 2.0
   65    68    70    82   3.62500 -1.0 2.0
   65    68    70    73   3.62500 -1.0 2.0
   66    65    68    69   0.00000  1.0 1.0
   66    65    68    70   0.00000  1.0 1.0
   67    65    68    69   0.00000  1.0 1.0
   67    65    68    70   0.00000  1.0 1.0
   68    69    71    72   3.62500 -1.0 2.0
   68    69    71    75   3.62500 -1.0 2.0
   68    69    81    79   3.00000 -1.0 2.0
   68    69   -81    82   3.00000 -1.0 2.0
   68    70   -73    56  -0.06000  1.0 1.0
   68    70   -73    56   0.30500 -1.0 2.0
   68    70   -73    56   0.09200  1.0 3.0
   68    70    73    74   0.00000  1.0 1.0
   68    70    73    44   0.04150 -1.0 2.0
   69    68   -70    82   3.62500 -1.0 2.0
   69    68    70    73   3.62500 -1.0 2.0
   69    71    75    76   3.62500 -1.0 2.0
   69    71    75    77   3.62500 -1.0 2.0
   69    81    82    83   1.52500 -1.0 2.0
   69    81   -82    70   3.62500 -1.0 2.0
   71    69    81    79   3.00000 -1.0 2.0
   71    69    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    69   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    70   3.62500 -1.0 2.0
   80    79    81    69   3.62500 -1.0 2.0
   80    79    81    82   3.62500 -1.0 2.0
   81    69    71    72   3.50000 -1.0 2.0
   81    69   -71    75   3.50000 -1.0 2.0
   81    82   -70    68   3.62500 -1.0 2.0
   81    82    70    73   3.62500 -1.0 2.0
   82    70    73    56   0.04300 -1.0 2.0
   82    70    73    74   0.00000  1.0 1.0
   82    70    73    44   0.39850  1.0 1.0
   82    70    73    44   0.06450 -1.0 2.0
   82    70    73    44   0.32400  1.0 3.0
   83    82    70    68   1.40000 -1.0 2.0
   83    82    70    73   2.00000 -1.0 2.0
   70    68    69    71   3.62500 -1.0 2.0
   70    68   -69    81   3.50000 -1.0 2.0
   70    73    44    39  -0.03700  1.0 1.0
   70    73    44    39   0.37200 -1.0 2.0
   70    73    44    39  -0.47300  1.0 3.0
   70    73    44    45   0.43200  1.0 3.0
   70    73    44    46   0.43200  1.0 3.0
   73    56    62    63   0.00000  1.0 1.0
   73    56    62    64   0.00000  1.0 1.0
   73    56   -62    65   0.00000  1.0 1.0
   74    73    44    39   0.15000  1.0 3.0
   74    73    44    45   0.15000  1.0 3.0
   74    73    44    46   0.15000  1.0 3.0
   44    39   -43    48   0.09850  1.0 1.0
   44    39   -43    48   0.15250 -1.0 2.0
   44    39   -43    48  -0.50650  1.0 3.0
   44    39    43    50   0.46850  1.0 1.0
   44    39    43    50   0.08550 -1.0 2.0
   44    39    43    50   0.09800  1.0 3.0
   50    43    48    49   7.00000 -1.0 2.0
   50    43    48    56   7.00000 -1.0 2.0
   51    50    57    33   0.37050  1.0 3.0
   51    50    58    59   0.15000  1.0 3.0
   51    50    58    60   0.15000  1.0 3.0
   51    50    58    61   0.15000  1.0 3.0
   57    33   -38    39   0.09700  1.0 1.0
   57    33   -38    39   0.15600 -1.0 2.0
   57    33   -38    39  -0.50800  1.0 3.0
   57    33    38    41   0.39000  1.0 1.0
   57    33    38    41  -0.05800 -1.0 2.0
   57    33    38    41  -0.55150  1.0 3.0
   57    50    58    59   0.23400  1.0 3.0
   57    50    58    60   0.23400  1.0 3.0
   57    50    58    61   0.23400  1.0 3.0
   58    50    57    33   0.06250  1.0 1.0
   58    50    57    33  -0.01100 -1.0 2.0
   58    50    57    33   0.28050  1.0 3.0
   41    38    39    40   0.00000  1.0 1.0
   41    38    39    43  -0.28300  1.0 1.0
   41    38    39    43   0.26700 -1.0 2.0
   41    38    39    43  -0.63300  1.0 3.0
   41    38    39    44   0.09850  1.0 1.0
   41    38    39    44   0.15250 -1.0 2.0
   41    38    39    44  -0.50650  1.0 3.0
   41    47    52    53   0.08050  1.0 3.0
   41    47    52    54   0.08050  1.0 3.0
   41    47    52    55   0.08050  1.0 3.0
   42    41    47    52   2.00000 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    41   1.10000 -1.0 2.0
   39    50    43    48   1.10000 -1.0 2.0
   56    49    48    43   1.10000 -1.0 2.0
   73    48    56    62   1.00000 -1.0 2.0
   69    70    68    65   4.00000 -1.0 2.0
   71    81    69    68   4.00000 -1.0 2.0
   75    72    71    69   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    69   4.00000 -1.0 2.0
   83    81    82    70   1.00000 -1.0 2.0
   82    73    70    68   4.00000 -1.0 2.0
   42    47    41    38   1.10000 -1.0 2.0
END
