* LIGAND DATABASE FILE (OPLS2005)
*
001      81    82    144    213     414
    1     0 S   NP   _N1_     1    28.81349    94.72333   -19.95308
    2     1 S   H    _HN1     2     1.02756    84.22640   -50.38370
    3     1 S   H    _H1_     3     1.02969    97.91847    57.46243
    4     1 S   H    _H2_     4     1.02814    30.41333   167.58424
    5     1 S   CT   _CA1     5     1.50243   139.37497  -168.35685
    6     5 S   HC   _HA1     6     1.09592   105.06222    46.34926
    7     5 S   CO3  _C1_     7     1.53895   112.56694   -73.13979
    8     7 S   O2Z  _O11     8     1.26349   115.02183   -33.95259
    9     7 S   O2Z  _O12     9     1.26285   114.98853   144.74111
   10     5 S   CT   _CB1    10     1.53112   107.22007   163.90504
   11    10 S   HC   HB11    11     1.09798   109.05893   -51.28095
   12    10 S   HC   HB12    12     1.09804   110.36527    65.10381
   13    10 S   CT   _CG1    13     1.52913   112.86735  -172.70795
   14    13 S   HC   HG11    14     1.09454   109.93207   -65.99306
   15    13 S   HC   HG12    15     1.09639   110.28438    52.86744
   16    13 S   C    _CD1    16     1.51866   112.46567   172.61292
   17    16 S   O    _OE1    17     1.22755   123.08234   -21.28398
   18    16 S   N    _N2_    18     1.38552   111.77377   160.83521
   19    18 S   H    _HN2    19     1.01578   118.91417    -1.83067
   20    18 S   CT1  _CA2    20     1.46240   123.70427   179.86012
   21    20 S   HC   _HA2    21     1.09728   109.40212   -16.44542
   22    20 S   C    _C2_    22     1.53480   108.05267  -132.05247
   23    22 S   O    _O2_    23     1.23016   122.38358  -146.01989
   24    20 S   CT   _CB2    32     1.53424   111.20083   106.03508
   25    24 S   HC   HB21    33     1.09389   109.00754    51.53545
   26    24 S   HC   HB22    34     1.09471   110.58149   170.14587
   27    22 S   N    _N3_    24     1.38559   113.29979    41.45817
   28    27 S   H    _HN3    25     1.01539   118.84604    -0.78385
   29    24 S   S    _SG2    35     1.82955   111.45036   -70.81609
   30    27 S   CT   _CA3    26     1.45430   123.44541   175.18684
   31    30 S   HC   HA31    27     1.09526   109.20641    25.01685
   32    30 S   HC   HA32    28     1.09496   107.13267   141.99230
   33    29 S   CT   _C16    36     1.86763   101.40240   155.44075
   34    30 S   CO3  _C3_    29     1.52917   113.12122   -98.45367
   35    34 S   O2Z  _O31    30     1.26402   115.40737   -45.32142
   36    34 S   O2Z  _O32    31     1.26355   114.98978   135.63298
   37    33 S   CM   _C12    37     1.55480   111.97745   -62.03158
   38    33 S   CT   _C18    78     1.54232   107.00146   174.89639
   39    38 S   HC   _H36    79     1.09785   111.54701   -62.60687
   40    38 S   HC   _H37    80     1.09559   111.02781   178.98124
   41    38 S   HC   _H38    81     1.09439   113.36606    58.38332
   42    37 S   CT   _C15    38     1.55512   116.94036   123.90365
   43    42 S   HC   _H32    39     1.10119   105.95993  -135.70494
   44    37 S   CMA  _C14    68     1.37811   123.57254   -55.45803
   45    44 S   OM   _O21    69     1.26884   126.35249    -2.67034
   46    42 S   CA   _C8_    40     1.53231   112.24582   106.34519
   47    42 S   CM   _C10    53     1.51274   114.96509   -21.53680
   48    44 S   OS   _O26    70     1.41935   111.98154   179.46005
   49    46 S   CA   _C5_    41     1.40465   121.64469   -66.23853
   50    49 S   HA   _H29    42     1.08619   120.57674    -0.33279
   51    47 S   CM   _C11    54     1.34317   122.13634    22.63344
   52    47 S   CO4  _C13    61     1.48086   116.75297  -156.93836
   53    52 S   O    _O23    62     1.22085   124.10945   -64.65945
   54    48 S   CT   _C21    71     1.43178   114.14203  -135.63078
   55    54 S   HC   _H45    72     1.09556   110.36959   -69.25425
   56    54 S   HC   _H46    73     1.09599   110.11154    52.27239
   57    49 S   CA   _C4_    43     1.39730   120.91531  -179.88636
   58    57 S   HA   _H28    44     1.08660   119.73312  -179.83098
   59    33 S   NE   _N19    55     1.46022   106.01949    61.90794
   60    59 S   H    _H47    56     1.01603   115.65037    56.97945
   61    51 S   CT   _C17    57     1.50578   124.75501   175.36883
   62    61 S   HC   _H33    58     1.09508   110.05055   110.82399
   63    61 S   HC   _H34    59     1.09349   113.39389   -10.39852
   64    61 S   HC   _H35    60     1.09586   110.19370  -129.87915
   65    52 S   OS   _O25    63     1.35962   108.61155   112.85361
   66    54 S   CT   _C19    74     1.51724   107.87148   171.43200
   67    66 S   HC   _H39    75     1.09508   110.57981   -59.42547
   68    66 S   HC   _H40    76     1.09506   110.62600    58.81163
   69    66 S   HC   _H41    77     1.09355   110.87910   179.74131
   70    57 S   CA   _C6_    45     1.39313   120.35011     0.19483
   71    70 S   HA   _H30    46     1.08631   118.88578  -179.62154
   72    65 S   CT   _C20    64     1.42995   115.09490  -178.51036
   73    72 S   HC   _H42    65     1.09326   108.11011  -179.45106
   74    72 S   HC   _H43    66     1.09422   110.27012    61.84575
   75    72 S   HC   _H44    67     1.09426   110.30338   -60.74351
   76    70 S   CA   _C9_    47     1.39646   119.06334     0.21306
   77    46 S   CA   _C7_    48     1.40553   119.75155   114.57617
   78    77 S   HA   _H31    49     1.08747   119.17786     0.14537
   79    76 S   NO2  _N20    50     1.45910   119.46947   179.82983
   80    79 S   ON   _O22    51     1.23872   117.79118   160.75818
   81    79 S   ON   _O24    52     1.23887   117.69070   -19.25531
  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  11   5   4   3
  16   2   1   1  18   8   3   2   1  18   7   9   2  12  13   7
   8   4   9   8   2   6   5   4   6   3   5   1   3   2   1   1
   4   3   2   1   1   7   3   3   2   1   1   5   4   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    59    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    51    59    60    44    38    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    46    47    51    59    60    61    44    45    48    38    39    40    41  
   35    36  
   36  
    0  
   42    43    46    49    77    47    51    59    60    52    44    45    48    54    38    39    40    41  
   39    40    41    42    44    51    59    60  
   40    41    59  
   41    59  
   59  
   43    46    49    50    57    76    77    78    47    51    59    61    52    53    65    44    45    48  
   46    49    77    47    51    52    44  
   45    48    54    55    56    66    46    47    59  
   48    54  
   49    50    57    58    70    76    77    78    79    47    51    52  
   51    59    60    61    62    63    64    52    53    65    72    49    77  
   54    55    56    66    67    68    69  
   50    57    58    70    71    76    77    78  
   57    58    70    77  
   59    60    61    62    63    64    52    53    65  
   53    65    72    73    74    75    59    61  
   65    72  
   55    56    66    67    68    69  
   56    66    67    68    69  
   66    67    68    69  
   58    70    71    76    77    79  
   70    71    76  
   60    61    62    63    64  
   61  
   62    63    64  
   63    64  
   64  
    0  
   72    73    74    75  
   67    68    69  
   68    69  
   69  
    0  
   71    76    77    78    79    80    81  
   76    77    79  
   73    74    75  
   74    75  
   75  
    0  
   77    78    79    80    81  
   78    79    80    81  
   79  
   80    81  
   81  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   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   0.402800   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   45   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.2500   0.1700  -0.607000   1.8650   1.6500   0.051222218  -2.220205820
   60   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   74   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   75   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   76   3.5500   0.0700   0.090000   2.5000   1.7750   0.001000000  -0.843144165
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   79   3.2500   0.1700   0.650000   1.8650   1.6500   0.020864068  -0.347800883
   80   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   81   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    59   382.000  1.448
   33    38   268.000  1.529
   37    42   317.000  1.510
   37    44   465.000  1.376
   42    43   340.000  1.090
   42    46   317.000  1.510
   42    47   317.000  1.510
   46    49   469.000  1.400
   46    77   469.000  1.400
   49    50   367.000  1.080
   49    57   469.000  1.400
   57    58   367.000  1.080
   57    70   469.000  1.400
   70    71   367.000  1.080
   70    76   469.000  1.400
   76    77   469.000  1.400
   76    79   400.000  1.460
   77    78   367.000  1.080
   79    80   550.000  1.225
   79    81   550.000  1.225
   47    51   549.000  1.340
   47    52   320.000  1.462
   51    59   425.000  1.378
   51    61   317.000  1.510
   59    60   434.000  1.010
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   52    53   570.000  1.229
   52    65   214.000  1.327
   65    72   320.000  1.410
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   44    45   745.000  1.250
   44    48   440.000  1.360
   48    54   320.000  1.410
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    59    80.00000  108.62000
   29    33    38    75.00000  111.63000
   33    37    42    65.00000  117.92700
   33    37    44    70.00000  124.00000
   33    59    51    50.00000  121.00000
   33    59    60    35.00000  112.50000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   37    42    43    35.00000  109.50000
   37    42    46    70.00000  112.99600
   37    42    47    70.00000  110.12100
   37    44    45    65.00000  137.10300
   37    44    48    80.00000  120.01400
   42    46    49    70.00000  120.00000
   42    46    77    70.00000  120.00000
   42    47    51    70.00000  124.00000
   42    47    52    65.00000  116.34900
   46    42    43    35.00000  109.50000
   46    49    50    35.00000  120.00000
   46    49    57    63.00000  120.00000
   46    77    76    63.00000  120.00000
   46    77    78    35.00000  120.00000
   49    57    58    35.00000  120.00000
   49    57    70    63.00000  120.00000
   57    49    50    35.00000  120.00000
   57    70    71    35.00000  120.00000
   57    70    76    63.00000  120.00000
   70    57    58    35.00000  120.00000
   70    76    77    63.00000  120.00000
   70    76    79    85.00000  120.00000
   76    70    71    35.00000  120.00000
   76    77    78    35.00000  120.00000
   76    79    80    80.00000  117.50000
   76    79    81    80.00000  117.50000
   77    46    49    63.00000  120.00000
   79    76    77    85.00000  120.00000
   81    79    80    80.00000  125.30000
   47    42    43    35.00000  109.50000
   47    42    46    70.00000  112.99600
   47    51    59    70.00000  124.03900
   47    51    61    70.00000  124.00000
   47    52    53    80.00000  123.72100
   47    52    65    90.00000  111.29400
   51    59    60    35.00000  114.50000
   51    61    62    35.00000  109.50000
   51    61    63    35.00000  109.50000
   51    61    64    35.00000  109.50000
   59    33    37    80.00000  112.42400
   61    51    59    75.00000  116.24600
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   52    47    51    65.00000  118.96000
   52    65    72    83.00000  116.90000
   65    52    53    83.00000  123.40000
   65    72    73    35.00000  109.50000
   65    72    74    35.00000  109.50000
   65    72    75    35.00000  109.50000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   44    37    42    70.00000  124.00000
   44    48    54    90.00000  111.18400
   48    44    45    65.00000  121.00000
   48    54    55    35.00000  109.50000
   48    54    56    35.00000  109.50000
   48    54    66    50.00000  109.50000
   54    66    67    37.50000  110.70000
   54    66    68    37.50000  110.70000
   54    66    69    37.50000  110.70000
   56    54    55    33.00000  107.80000
   66    54    55    37.50000  110.70000
   66    54    56    37.50000  110.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   38    33    37    70.00000  112.02700
   38    33    59    80.00000  111.61500
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    59   0.01700  1.0 1.0
   24    29    33    59  -0.23550 -1.0 2.0
   24    29    33    59   0.21350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    42   0.30250  1.0 1.0
   29    33    37    42  -0.14950 -1.0 2.0
   29    33    37    42   0.36900  1.0 3.0
   29    33    37    44   0.42700  1.0 1.0
   29    33    37    44  -0.70350 -1.0 2.0
   29    33    37    44  -0.43150  1.0 3.0
   29    33    59    51  -0.12500  1.0 1.0
   29    33    59    51  -0.12500 -1.0 2.0
   29    33    59    51   0.25000  1.0 3.0
   29    33    59    60  -0.12500  1.0 1.0
   29    33    59    60  -0.12500 -1.0 2.0
   29    33    59    60   0.25000  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   33    37    42    43   0.34800  1.0 3.0
   33    37    42    46   0.09700  1.0 1.0
   33    37    42    46   0.15600 -1.0 2.0
   33    37    42    46  -0.50800  1.0 3.0
   33    37    42    47   0.09700  1.0 1.0
   33    37    42    47   0.15600 -1.0 2.0
   33    37    42    47  -0.50800  1.0 3.0
   33    37    44    45   7.00000 -1.0 2.0
   33    37    44    48   7.00000 -1.0 2.0
   37    33    59    51  -0.12500  1.0 1.0
   37    33    59    51  -0.12500 -1.0 2.0
   37    33    59    51   0.25000  1.0 3.0
   37    33    59    60  -0.12500  1.0 1.0
   37    33    59    60  -0.12500 -1.0 2.0
   37    33    59    60   0.25000  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    41   0.15000  1.0 3.0
   37    42    46    49   0.18050 -1.0 2.0
   37    42    46    77   0.18050 -1.0 2.0
   37    42   -47    51  -0.28300  1.0 1.0
   37    42   -47    51   0.26700 -1.0 2.0
   37    42   -47    51  -0.63300  1.0 3.0
   37    42    47    52   0.09700  1.0 1.0
   37    42    47    52   0.15600 -1.0 2.0
   37    42    47    52  -0.50800  1.0 3.0
   37    44    48    54  -2.26850  1.0 1.0
   37    44    48    54   3.39050 -1.0 2.0
   42    37    44    45   7.00000 -1.0 2.0
   42    37    44    48   7.00000 -1.0 2.0
   42    46    49    50   3.62500 -1.0 2.0
   42    46    49    57   3.62500 -1.0 2.0
   42    46    77    76   3.62500 -1.0 2.0
   42    46    77    78   3.62500 -1.0 2.0
   42    47    51    59   7.00000 -1.0 2.0
   42    47    51    61   7.00000 -1.0 2.0
   42    47    52    53  -0.64400  1.0 1.0
   42    47    52    53   0.26850 -1.0 2.0
   42    47    52    65  -0.15000  1.0 1.0
   42    47    52    65   0.89550 -1.0 2.0
   42    47    52    65  -0.06900  1.0 3.0
   43    42    46    49   0.00000  1.0 1.0
   43    42    46    77   0.00000  1.0 1.0
   43    42    47    51   0.00000  1.0 1.0
   43    42    47    52   0.15000  1.0 3.0
   46    42    47    51   1.44450  1.0 1.0
   46    42    47    51   0.06600 -1.0 2.0
   46    42    47    51   0.29250  1.0 3.0
   46    42    47    52   0.09700  1.0 1.0
   46    42    47    52   0.15600 -1.0 2.0
   46    42    47    52  -0.50800  1.0 3.0
   46    49    57    58   3.62500 -1.0 2.0
   46    49    57    70   3.62500 -1.0 2.0
   49    46    77    76   3.62500 -1.0 2.0
   49    46    77    78   3.62500 -1.0 2.0
   49    57    70    71   3.62500 -1.0 2.0
   49    57   -70    76   3.62500 -1.0 2.0
   50    49    57    58   3.62500 -1.0 2.0
   50    49    57    70   3.62500 -1.0 2.0
   57    70    76    77   3.62500 -1.0 2.0
   57    70    76    79   3.62500 -1.0 2.0
   58    57    70    71   3.62500 -1.0 2.0
   58    57    70    76   3.62500 -1.0 2.0
   70    76   -77    46   3.62500 -1.0 2.0
   70    76    77    78   3.62500 -1.0 2.0
   70    76    79    80   0.69950 -1.0 2.0
   70    76    79    81   0.69950 -1.0 2.0
   71    70    76    77   3.62500 -1.0 2.0
   71    70    76    79   3.62500 -1.0 2.0
   77    46    49    50   3.62500 -1.0 2.0
   77    46   -49    57   3.62500 -1.0 2.0
   77    76    79    80   0.69950 -1.0 2.0
   77    76    79    81   0.69950 -1.0 2.0
   79    76    77    46   3.62500 -1.0 2.0
   79    76    77    78   3.62500 -1.0 2.0
   47    42    46    49   0.18050 -1.0 2.0
   47    42    46    77   0.18050 -1.0 2.0
   47    51   -59    33  -0.54700  1.0 1.0
   47    51   -59    33   1.23000 -1.0 2.0
   47    51    59    60   1.00000 -1.0 2.0
   47    51    61    62   0.00000  1.0 1.0
   47    51    61    63   0.00000  1.0 1.0
   47    51    61    64   0.00000  1.0 1.0
   47    52    65    72   2.00000 -1.0 2.0
   51    47    52    53   1.00000 -1.0 2.0
   51    47    52    65  -0.56150  1.0 1.0
   51    47    52    65   2.19150 -1.0 2.0
   59    33   -37    42   0.09700  1.0 1.0
   59    33   -37    42   0.15600 -1.0 2.0
   59    33   -37    42  -0.50800  1.0 3.0
   59    33    37    44   0.62150  1.0 1.0
   59    33    37    44   0.42850 -1.0 2.0
   59    33    37    44  -0.68200  1.0 3.0
   59    33    38    39   0.22950  1.0 3.0
   59    33    38    40   0.22950  1.0 3.0
   59    33    38    41   0.22950  1.0 3.0
   59    51    61    62  -0.18050  1.0 3.0
   59    51    61    63  -0.18050  1.0 3.0
   59    51    61    64  -0.18050  1.0 3.0
   61    51    59    33   1.00000 -1.0 2.0
   61    51    59    60   2.40850 -1.0 2.0
   52    47    51    59   7.00000 -1.0 2.0
   52    47    51    61   7.00000 -1.0 2.0
   52    65    72    73   0.08050  1.0 3.0
   52    65    72    74   0.08050  1.0 3.0
   52    65    72    75   0.08050  1.0 3.0
   53    52    65    72   3.00000 -1.0 2.0
   44    37    42    43   0.00000  1.0 1.0
   44    37    42    46   1.44450  1.0 1.0
   44    37    42    46   0.06600 -1.0 2.0
   44    37    42    46   0.29250  1.0 3.0
   44    37    42    47  -0.28300  1.0 1.0
   44    37    42    47   0.26700 -1.0 2.0
   44    37    42    47  -0.63300  1.0 3.0
   44    48    54    55   0.08050  1.0 3.0
   44    48    54    56   0.08050  1.0 3.0
   44    48    54    66  -0.46850  1.0 1.0
   44    48    54    66   0.09300 -1.0 2.0
   44    48    54    66  -0.12850  1.0 3.0
   45    44    48    54   2.00000 -1.0 2.0
   48    54    66    67   0.23400  1.0 3.0
   48    54    66    68   0.23400  1.0 3.0
   48    54    66    69   0.23400  1.0 3.0
   55    54    66    67   0.15000  1.0 3.0
   55    54    66    68   0.15000  1.0 3.0
   55    54    66    69   0.15000  1.0 3.0
   56    54    66    67   0.15000  1.0 3.0
   56    54    66    68   0.15000  1.0 3.0
   56    54    66    69   0.15000  1.0 3.0
   38    33    37    42   0.46850  1.0 1.0
   38    33    37    42   0.08550 -1.0 2.0
   38    33    37    42   0.09800  1.0 3.0
   38    33    37    44   0.09850  1.0 1.0
   38    33    37    44   0.15250 -1.0 2.0
   38    33    37    44  -0.50650  1.0 3.0
   38    33    59    51   0.25450  1.0 1.0
   38    33    59    51  -0.61700 -1.0 2.0
   38    33    59    51  -0.23550  1.0 3.0
   38    33    59    60   0.00000  1.0 1.0
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
   36    30    34    35  10.50000 -1.0 2.0
   33    42    37    44   1.10000 -1.0 2.0
   49    77    46    42   4.00000 -1.0 2.0
   57    50    49    46   1.10000 -1.0 2.0
   70    58    57    49   1.10000 -1.0 2.0
   76    71    70    57   1.10000 -1.0 2.0
   77    79    76    70   4.00000 -1.0 2.0
   76    78    77    46   1.10000 -1.0 2.0
   81    76    79    80  10.50000 -1.0 2.0
   42    52    47    51   1.10000 -1.0 2.0
   61    59    51    47   1.10000 -1.0 2.0
   60    51    59    33   1.00000 -1.0 2.0
   47    65    52    53  10.50000 -1.0 2.0
   45    48    44    37   1.10000 -1.0 2.0
END
