* LIGAND DATABASE FILE (OPLS2005)
*
001      83    87    159    258     467
    1     0 S   NP   _N1_     1    28.73940    95.03661   -19.94214
    2     1 S   H    _HN1     2     1.02962    92.24617    34.03361
    3     1 S   H    _H1_     3     1.02836    35.76162   150.56569
    4     1 S   H    _H2_     4     1.02778    82.61262   -74.16483
    5     1 S   CT   _CA1     5     1.50122   145.72499   166.62391
    6     5 S   HC   _HA1     6     1.09573   105.23392    49.16949
    7     5 S   CO3  _C1_     7     1.53781   112.43863   -71.02175
    8     7 S   O2Z  _O11     8     1.26356   115.02925   -42.12213
    9     7 S   O2Z  _O12     9     1.26237   114.96374   137.23115
   10     5 S   CT   _CB1    10     1.53116   107.42095   167.09770
   11    10 S   HC   HB11    11     1.09816   109.31002   -50.54107
   12    10 S   HC   HB12    12     1.09824   110.40688    66.01242
   13    10 S   CT   _CG1    13     1.52990   112.70614  -171.71082
   14    13 S   HC   HG11    14     1.09544   110.35390   -62.91622
   15    13 S   HC   HG12    15     1.09643   110.09326    56.19461
   16    13 S   C    _CD1    16     1.51823   112.34419   176.32544
   17    16 S   O    _OE1    17     1.22713   123.24310    -9.98367
   18    16 S   N    _N2_    18     1.38588   111.61835   170.85591
   19    18 S   H    _HN2    19     1.01596   118.92637     0.42521
   20    18 S   CT1  _CA2    20     1.46238   123.53726  -179.91377
   21    20 S   HC   _HA2    21     1.09731   109.42921   -14.58651
   22    20 S   C    _C2_    22     1.53433   107.99549  -130.21313
   23    22 S   O    _O2_    23     1.23005   122.31887  -144.19471
   24    20 S   CT   _CB2    32     1.53405   111.33910   107.77849
   25    24 S   HC   HB21    33     1.09456   109.55418    52.83052
   26    24 S   HC   HB22    34     1.09507   110.60968   171.61306
   27    22 S   N    _N3_    24     1.38529   113.28329    43.02475
   28    27 S   H    _HN3    25     1.01530   118.91702    -0.49218
   29    24 S   S    _SG2    35     1.82715   111.78368   -69.01325
   30    27 S   CT   _CA3    26     1.45450   123.43306   175.11272
   31    30 S   HC   HA31    27     1.09524   109.21157    24.76571
   32    30 S   HC   HA32    28     1.09494   107.12483   141.77885
   33    29 S   CT   _C22    36     1.83618    99.73570   167.34880
   34    33 S   HC   _H7_    37     1.09567   105.64304    44.03652
   35    30 S   CO3  _C3_    29     1.52932   113.14863   -98.68564
   36    35 S   O2Z  _O31    30     1.26400   115.42926   -43.53514
   37    35 S   O2Z  _O32    31     1.26358   114.96256   137.39395
   38    33 S   CT   _C21    38     1.54411   113.01861   -76.46924
   39    38 S   HC   _H6_    39     1.09827   108.43325    66.87728
   40    38 S   CT   _C20    40     1.54833   111.90526  -174.01463
   41    40 S   HC   _H5_    41     1.09995   108.97666   164.43223
   42    38 S   CO4  _C23    77     1.52712   112.23861   -50.93759
   43    42 S   O    _O34    78     1.22368   124.88406   -53.46885
   44    40 S   CT   _C19    42     1.53764   110.42774   -78.07562
   45    44 S   HC   _H20    43     1.09650   110.32109    34.54242
   46    44 S   HC   _H21    44     1.09776   108.29813   -81.01151
   47    40 S   CT   _C6_    56     1.53542   111.27565    45.86286
   48    47 S   HC   _H4_    57     1.09838   107.43090    66.30990
   49    42 S   OS   _O35    79     1.36559   109.59578   127.05595
   50    44 S   CA   _C18    45     1.50341   116.54770   156.02136
   51    47 S   CT   _C5_    58     1.53910   110.90303   -50.12677
   52    51 S   HC   _H3_    59     1.09658   111.71217   -61.70232
   53    49 S   CT   _C24    80     1.43096   115.16842  -179.32391
   54    53 S   HC   _H22    81     1.09309   108.08148   177.17208
   55    53 S   HC   _H23    82     1.09415   110.32028    58.42194
   56    53 S   HC   _H24    83     1.09403   110.16926   -64.13426
   57    50 S   C56A _C17    46     1.40272   121.84581   176.41406
   58    33 S   OS   _O33    60     1.43101   109.82607   158.91466
   59    51 S   CT   _C4_    61     1.52497   113.05294   176.17050
   60    59 S   HC   _H8_    62     1.09552   111.02121   -54.37110
   61    59 S   HC   _H9_    63     1.09581   110.27742  -172.26962
   62    59 S   HC   _H10    64     1.09327   111.89172    67.49094
   63    57 S   C56B _C10    47     1.39014   123.25432   176.67681
   64    57 S   NA   _N5_    75     1.37880   130.04416    -2.79281
   65    64 S   H    _H19    76     1.01056   124.66638    -0.26614
   66    63 S   CA   _C9_    48     1.39779   118.10210    -0.07913
   67    66 S   HA   _H14    49     1.08517   121.65867   179.72305
   68    63 S   C56B _C11    65     1.43023   107.87440  -179.96574
   69    66 S   CA   _C8_    50     1.38674   117.72311     0.07402
   70    69 S   HA   _H13    51     1.08549   120.57814   178.95845
   71    68 S   CA   _C12    66     1.41061   134.16780  -179.87489
   72    71 S   HA   _H15    67     1.08631   120.79403     0.08847
   73    50 S   NAP  _N4_    52     1.35553   121.80958    -7.53187
   74    71 S   CA   _C13    68     1.39952   119.33126  -179.92338
   75    74 S   HA   _H16    69     1.08691   119.55576  -180.00000
   76    73 S   CT   _C7_    53     1.48068   120.95041     7.40669
   77    76 S   HC   _H11    54     1.09421   109.01013  -156.36555
   78    76 S   HC   _H12    55     1.09777   105.18372    88.44202
   79    74 S   CA   _C14    70     1.39288   120.71199     0.03956
   80    79 S   HA   _H17    71     1.08718   119.57857   179.98022
   81    79 S   CA   _C15    72     1.39754   120.99288     0.02798
   82    81 S   HA   _H18    73     1.08500   120.90437   179.96044
   83    68 S   C56A _C16    74     1.39337   107.24639     0.24708
  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
  14   6   2   1   1  16   8  19   9   9   2  12   5   4  14   8
   4  13  10   6   3   2   1   1  12   5   4   2   1   1  13   9
   3   8   4   9   5   2   7   4   3   6   3   2   1   1   4   3
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    58    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    51    58    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    47    51    52    58    59    42    43    49  
   38    39    40    51    58    42  
   36    37  
   37  
    0  
   39    40    41    44    45    46    50    76    47    48    51    58    42    43    49    53  
   40    41    44    47    58    42    43    49  
   41    44    45    46    50    57    73    76    77    78    47    48    51    52    58    59    42    43    49  
   44    45    46    50    76    47    48    51    42  
   43    49    53    54    55    56    44    47    58  
   49    53  
   45    46    50    57    63    69    73    76    47    48    51    64  
   46    50    57    73    47  
   50    57    73    47  
   48    51    52    58    59    60    61    62    50    69    73    76    77    78  
   51    52    58    59    73    76    77    78  
   53    54    55    56  
   57    63    66    69    70    73    76    77    78    68    83    64    65  
   52    58    59    60    61    62    73    76    77    78  
   58    59    60    61    62    76  
   54    55    56  
   55    56  
   56  
    0  
   63    66    67    69    73    76    68    71    81    83    64    65  
   59    60    61    62    76  
   60    61    62    76  
   61    62  
   62  
    0  
   66    67    69    70    73    68    71    72    74    81    83    64    65  
   65    66    68    71    73    79    81    82    83  
   68    81    83  
   67    69    70    73    76    68    71    83  
   69    70    73    68  
   71    72    74    75    79    81    82    83    69  
   70    73    76    77    78  
   73    76  
   72    74    75    79    80    81    83  
   74    75    79    83  
   76    77    78  
   75    79    80    81    82    83  
   79    80    81  
   77    78  
   78  
    0  
   80    81    82    83  
   81    82    83  
   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   0.318900   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.005000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5500   0.0700   0.007500   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5500   0.0700  -0.023500   2.5000   1.7750   0.001000000  -0.843144165
   58   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.015500   2.5000   1.7750   0.001000000  -0.843144165
   64   3.2500   0.1700  -0.239000   1.8650   1.6500   0.001000000  -0.511443539
   65   0.5000   0.0300   0.317000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0700  -0.205100   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.205100   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0700  -0.015500   2.5000   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700   0.007500   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   3.2500   0.1700   0.632500   1.9750   1.7500   0.001000000  -0.511443539
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5000   0.0660   0.002500   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
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   81   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   83   3.5500   0.0700  -0.023500   2.5000   1.7750   0.001000000  -0.843144165
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   268.000  1.529
   33    58   320.000  1.410
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   317.000  1.522
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    47   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    50   317.000  1.510
   50    57   469.000  1.400
   50    73   485.000  1.342
   57    63   447.000  1.419
   57    64   428.000  1.380
   63    66   469.000  1.404
   63    68   365.000  1.456
   66    67   367.000  1.080
   66    69   469.000  1.400
   69    70   367.000  1.080
   69    73   485.000  1.342
   73    76   280.000  1.457
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    47   268.000  1.529
   47    48   340.000  1.090
   47    51   268.000  1.529
   51    52   340.000  1.090
   51    58   320.000  1.410
   51    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   68    71   469.000  1.404
   68    83   447.000  1.419
   71    72   367.000  1.080
   71    74   469.000  1.400
   74    75   367.000  1.080
   74    79   469.000  1.400
   79    80   367.000  1.080
   79    81   469.000  1.400
   81    82   367.000  1.080
   81    83   469.000  1.400
   83    64   428.000  1.380
   64    65   434.000  1.010
   42    43   570.000  1.229
   42    49   214.000  1.327
   49    53   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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  111.63000
   29    33    58    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    63.00000  111.10000
   33    58    51    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    40    47    58.35000  112.70000
   38    42    43    80.00000  120.40000
   38    42    49    81.00000  111.40000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    50    70.00000  112.17500
   40    47    76    58.35000  112.70000
   40    47    48    37.50000  110.70000
   40    47    51    58.35000  112.70000
   44    40    41    37.50000  110.70000
   44    50    57    70.00000  120.00000
   44    50    73    70.00000  116.21300
   46    44    45    33.00000  107.80000
   50    44    45    35.00000  109.50000
   50    44    46    35.00000  109.50000
   50    57    63    85.00000  122.70000
   50    57    64    70.00000  132.80000
   50    73    69    70.00000  123.81700
   50    73    76    70.00000  119.18700
   57    63    66    85.00000  116.20000
   57    63    68    80.00000  105.47000
   57    64    83    90.00000   99.14000
   57    64    65    35.00000  123.10000
   63    66    67    35.00000  120.00000
   63    66    69    63.00000  120.00000
   63    68    71    50.00000  134.41300
   63    68    83    80.00000  105.47000
   66    69    70    35.00000  120.00000
   66    69    73    70.00000  119.29800
   69    66    67    35.00000  120.00000
   69    73    76    70.00000  119.18700
   73    50    57    70.00000  122.14000
   73    69    70    45.00000  112.84900
   73    76    77    50.00000  106.41000
   73    76    78    50.00000  106.41000
   73    76    47    75.00000  109.47200
   76    47    48    37.50000  110.70000
   76    47    51    58.35000  112.70000
   78    76    77    33.00000  107.80000
   47    40    41    37.50000  110.70000
   47    40    44    58.35000  112.70000
   47    76    77    37.50000  110.70000
   47    76    78    37.50000  110.70000
   47    51    52    37.50000  110.70000
   47    51    58    50.00000  109.50000
   47    51    59    58.35000  112.70000
   51    47    48    37.50000  110.70000
   51    59    60    37.50000  110.70000
   51    59    61    37.50000  110.70000
   51    59    62    37.50000  110.70000
   58    33    34    35.00000  109.50000
   58    33    38    50.00000  109.50000
   58    51    52    35.00000  109.50000
   59    51    52    37.50000  110.70000
   59    51    58    50.00000  109.50000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   68    63    66    50.00000  134.41300
   68    71    72    35.00000  120.00000
   68    71    74    63.00000  120.00000
   68    83    81    85.00000  122.70000
   68    83    64    70.00000  104.40000
   71    74    75    35.00000  120.00000
   71    74    79    63.00000  120.00000
   74    71    72    35.00000  120.00000
   74    79    80    35.00000  120.00000
   74    79    81    63.00000  120.00000
   79    74    75    35.00000  120.00000
   79    81    82    35.00000  120.00000
   79    81    83    85.00000  120.00000
   81    79    80    35.00000  120.00000
   81    83    64    70.00000  132.80000
   83    68    71    85.00000  116.20000
   83    81    82    35.00000  120.00000
   83    64    65    35.00000  123.10000
   64    57    63    70.00000  104.40000
   42    38    39    35.00000  109.50000
   42    38    40    63.00000  111.10000
   42    49    53    83.00000  116.90000
   49    42    43    83.00000  123.40000
   49    53    54    35.00000  109.50000
   49    53    55    35.00000  109.50000
   49    53    56    35.00000  109.50000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    58   0.13850  1.0 1.0
   24    29    33    58  -1.34450 -1.0 2.0
   24    29    33    58   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   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    58    51   0.14700  1.0 1.0
   29    33    58    51  -1.16150 -1.0 2.0
   29    33    58    51   0.48700  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44   0.56750  1.0 1.0
   33    38    40    44  -0.07550 -1.0 2.0
   33    38    40    44   0.20000  1.0 3.0
   33    38    40    47   0.56750  1.0 1.0
   33    38    40    47  -0.07550 -1.0 2.0
   33    38    40    47   0.20000  1.0 3.0
   33    38    42    43   0.30150 -1.0 2.0
   33    38    42    49   0.36750  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42  -0.11250  1.0 3.0
   34    33    58    51   0.37050  1.0 3.0
   38    33    58    51   0.06250  1.0 1.0
   38    33    58    51  -0.01100 -1.0 2.0
   38    33    58    51   0.28050  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40    44    46   0.15000  1.0 3.0
   38    40    44    50  -0.03700  1.0 1.0
   38    40    44    50   0.37200 -1.0 2.0
   38    40    44    50  -0.47300  1.0 3.0
   38    40    47    76   0.56750  1.0 1.0
   38    40    47    76  -0.07550 -1.0 2.0
   38    40    47    76   0.20000  1.0 3.0
   38    40    47    48   0.15000  1.0 3.0
   38    40   -47    51   0.56750  1.0 1.0
   38    40   -47    51  -0.07550 -1.0 2.0
   38    40   -47    51   0.20000  1.0 3.0
   38    42    49    53   1.63150  1.0 1.0
   38    42    49    53   2.92000 -1.0 2.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    47   0.15000  1.0 3.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    49   0.00000  1.0 1.0
   40    38    42    43   0.30150 -1.0 2.0
   40    38    42    49   0.36750  1.0 3.0
   40    44    50    57   0.04150 -1.0 2.0
   40    44    50    73   0.29300  1.0 1.0
   40    44    50    73  -1.19700 -1.0 2.0
   40    44    50    73   0.60900  1.0 3.0
   40    47    51    52   0.15000  1.0 3.0
   40    47    51    58   0.62750  1.0 1.0
   40    47    51    58  -0.30950 -1.0 2.0
   40    47    51    58   0.27300  1.0 3.0
   40    47    51    59   0.56750  1.0 1.0
   40    47    51    59  -0.07550 -1.0 2.0
   40    47    51    59   0.20000  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40    44    50   0.43200  1.0 3.0
   41    40    47    76   0.15000  1.0 3.0
   41    40    47    48   0.15000  1.0 3.0
   41    40    47    51   0.15000  1.0 3.0
   44    40    47    76   0.56750  1.0 1.0
   44    40    47    76  -0.07550 -1.0 2.0
   44    40    47    76   0.20000  1.0 3.0
   44    40    47    48   0.15000  1.0 3.0
   44    40    47    51   0.56750  1.0 1.0
   44    40    47    51  -0.07550 -1.0 2.0
   44    40    47    51   0.20000  1.0 3.0
   44    50    57    63   3.62500 -1.0 2.0
   44    50    57    64   3.62500 -1.0 2.0
   44    50    73    69   3.62500 -1.0 2.0
   44    50   -73    76   3.62500 -1.0 2.0
   45    44    50    57   0.00000  1.0 1.0
   45    44    50    73   0.00000  1.0 1.0
   46    44    50    57   0.00000  1.0 1.0
   46    44    50    73   0.00000  1.0 1.0
   50    57    63    66   3.00000 -1.0 2.0
   50    57    63    68   3.00000 -1.0 2.0
   50    57    64    83   3.62500 -1.0 2.0
   50    57    64    65   1.52500 -1.0 2.0
   50    73    76    77   0.00000  1.0 1.0
   50    73    76    78   0.00000  1.0 1.0
   50    73    76    47   0.00000  1.0 1.0
   57    50    73    69   3.62500 -1.0 2.0
   57    50    73    76   3.62500 -1.0 2.0
   57    63    66    67   3.50000 -1.0 2.0
   57    63   -66    69   3.50000 -1.0 2.0
   57    63    68    71   3.50000 -1.0 2.0
   57    63   -68    83   3.50000 -1.0 2.0
   63    57   -64    83   3.62500 -1.0 2.0
   63    57    64    65   1.52500 -1.0 2.0
   63    66    69    70   3.62500 -1.0 2.0
   63    66    69    73   3.62500 -1.0 2.0
   63    68    71    72   3.62500 -1.0 2.0
   63    68    71    74   3.62500 -1.0 2.0
   63    68    83    81   3.00000 -1.0 2.0
   63    68   -83    64   3.00000 -1.0 2.0
   66    63    68    71   3.62500 -1.0 2.0
   66    63    68    83   3.50000 -1.0 2.0
   66    69   -73    50   3.62500 -1.0 2.0
   66    69    73    76   3.62500 -1.0 2.0
   67    66    69    70   3.62500 -1.0 2.0
   67    66    69    73   3.62500 -1.0 2.0
   69    73    76    77   0.00000  1.0 1.0
   69    73    76    78   0.00000  1.0 1.0
   69    73    76    47   0.00000  1.0 1.0
   70    69    73    50   3.62500 -1.0 2.0
   70    69    73    76   3.62500 -1.0 2.0
   73    50   -57    63   3.62500 -1.0 2.0
   73    50    57    64   3.62500 -1.0 2.0
   73    76   -47    40   0.56750  1.0 1.0
   73    76   -47    40  -0.07550 -1.0 2.0
   73    76   -47    40   0.20000  1.0 3.0
   73    76    47    48   0.15000  1.0 3.0
   73    76    47    51   0.56750  1.0 1.0
   73    76    47    51  -0.07550 -1.0 2.0
   73    76    47    51   0.20000  1.0 3.0
   76    47    51    52   0.15000  1.0 3.0
   76    47    51    58   0.62750  1.0 1.0
   76    47    51    58  -0.30950 -1.0 2.0
   76    47    51    58   0.27300  1.0 3.0
   76    47    51    59   0.56750  1.0 1.0
   76    47    51    59  -0.07550 -1.0 2.0
   76    47    51    59   0.20000  1.0 3.0
   77    76    47    40   0.15000  1.0 3.0
   77    76    47    48   0.15000  1.0 3.0
   77    76    47    51   0.15000  1.0 3.0
   78    76    47    40   0.15000  1.0 3.0
   78    76    47    48   0.15000  1.0 3.0
   78    76    47    51   0.15000  1.0 3.0
   47    40    44    45   0.15000  1.0 3.0
   47    40    44    46   0.15000  1.0 3.0
   47    40   -44    50  -0.03700  1.0 1.0
   47    40   -44    50   0.37200 -1.0 2.0
   47    40   -44    50  -0.47300  1.0 3.0
   47    51   -58    33   0.06250  1.0 1.0
   47    51   -58    33  -0.01100 -1.0 2.0
   47    51   -58    33   0.28050  1.0 3.0
   47    51    59    60   0.15000  1.0 3.0
   47    51    59    61   0.15000  1.0 3.0
   47    51    59    62   0.15000  1.0 3.0
   48    47    51    52   0.15000  1.0 3.0
   48    47    51    58   0.23400  1.0 3.0
   48    47    51    59   0.15000  1.0 3.0
   52    51    58    33   0.37050  1.0 3.0
   52    51    59    60   0.15000  1.0 3.0
   52    51    59    61   0.15000  1.0 3.0
   52    51    59    62   0.15000  1.0 3.0
   58    33    38    39   0.23400  1.0 3.0
   58    33   -38    40   0.62750  1.0 1.0
   58    33   -38    40  -0.30950 -1.0 2.0
   58    33   -38    40   0.27300  1.0 3.0
   58    33    38    42  -0.09450  1.0 1.0
   58    33    38    42  -1.12950 -1.0 2.0
   58    33    38    42   0.54000  1.0 3.0
   58    51    59    60   0.23400  1.0 3.0
   58    51    59    61   0.23400  1.0 3.0
   58    51    59    62   0.23400  1.0 3.0
   59    51    58    33   0.06250  1.0 1.0
   59    51    58    33  -0.01100 -1.0 2.0
   59    51    58    33   0.28050  1.0 3.0
   68    63    66    67   3.62500 -1.0 2.0
   68    63    66    69   3.62500 -1.0 2.0
   68    71    74    75   3.62500 -1.0 2.0
   68    71    74    79   3.62500 -1.0 2.0
   68    83   -64    57   3.62500 -1.0 2.0
   68    83    64    65   1.52500 -1.0 2.0
   71    68    83    81   3.00000 -1.0 2.0
   71    68    83    64   3.00000 -1.0 2.0
   71    74    79    80   3.62500 -1.0 2.0
   71    74   -79    81   3.62500 -1.0 2.0
   72    71    74    75   3.62500 -1.0 2.0
   72    71    74    79   3.62500 -1.0 2.0
   74    79    81    82   3.62500 -1.0 2.0
   74    79    81    83   3.62500 -1.0 2.0
   75    74    79    80   3.62500 -1.0 2.0
   75    74    79    81   3.62500 -1.0 2.0
   79    81   -83    68   3.62500 -1.0 2.0
   79    81    83    64   3.62500 -1.0 2.0
   80    79    81    82   3.62500 -1.0 2.0
   80    79    81    83   3.62500 -1.0 2.0
   81    83    64    57   3.62500 -1.0 2.0
   81    83    64    65   1.52500 -1.0 2.0
   82    81    83    68   3.62500 -1.0 2.0
   82    81    83    64   3.62500 -1.0 2.0
   83    68    71    72   3.50000 -1.0 2.0
   83    68   -71    74   3.50000 -1.0 2.0
   64    57    63    66   3.00000 -1.0 2.0
   64    57   -63    68   3.00000 -1.0 2.0
   42    38    40    41  -0.11250  1.0 3.0
   42    38    40    44  -0.95700  1.0 1.0
   42    38    40    44  -0.18200 -1.0 2.0
   42    38    40    44   0.29450  1.0 3.0
   42    38    40    47  -0.95700  1.0 1.0
   42    38    40    47  -0.18200 -1.0 2.0
   42    38    40    47   0.29450  1.0 3.0
   42    49    53    54   0.08050  1.0 3.0
   42    49    53    55   0.08050  1.0 3.0
   42    49    53    56   0.08050  1.0 3.0
   43    42    49    53   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
   57    73    50    44   4.00000 -1.0 2.0
   63    64    57    50   4.00000 -1.0 2.0
   66    68    63    57   4.00000 -1.0 2.0
   69    67    66    63   1.10000 -1.0 2.0
   73    70    69    66   1.10000 -1.0 2.0
   69    76    73    50   4.00000 -1.0 2.0
   71    83    68    63   4.00000 -1.0 2.0
   74    72    71    68   1.10000 -1.0 2.0
   79    75    74    71   1.10000 -1.0 2.0
   81    80    79    74   1.10000 -1.0 2.0
   83    82    81    79   1.10000 -1.0 2.0
   81    64    83    68   4.00000 -1.0 2.0
   65    57    64    83   1.00000 -1.0 2.0
   38    49    42    43  10.50000 -1.0 2.0
END
