* LIGAND DATABASE FILE (OPLS2005)
*
001      83    87    150    241     433
    1     0 S   NP   _N1_     1    28.62642    94.53043   -21.11395
    2     1 S   H    _HN1     2     1.02774    90.11413   -65.52878
    3     1 S   H    _H1_     3     1.02971    92.66052    42.81653
    4     1 S   H    _H2_     4     1.02832    28.57407   164.69538
    5     1 S   CT   _CA1     5     1.50128   139.28746   168.82021
    6     5 S   HC   _HA1     6     1.09577   105.24542    57.01888
    7     5 S   CO3  _C1_     7     1.53789   112.35224   -63.14521
    8     7 S   O2Z  _O11     8     1.26343   115.00879   -44.18996
    9     7 S   O2Z  _O12     9     1.26243   114.91103   134.97235
   10     5 S   CT   _CB1    10     1.53082   107.39294   174.85608
   11    10 S   HC   HB11    11     1.09815   109.27175   -51.38522
   12    10 S   HC   HB12    12     1.09829   110.41519    65.12045
   13    10 S   CT   _CG1    13     1.53003   112.72468  -172.61892
   14    13 S   HC   HG11    14     1.09580   110.23271   -62.33142
   15    13 S   HC   HG12    15     1.09627   110.21970    56.83059
   16    13 S   C    _CD1    16     1.51808   112.14912   176.91041
   17    16 S   O    _OE1    17     1.22737   123.14250   -14.01586
   18    16 S   N    _N2_    18     1.38583   111.73557   166.87266
   19    18 S   H    _HN2    19     1.01582   119.04708     0.93503
   20    18 S   CT1  _CA2    20     1.46236   123.42443  -177.59450
   21    20 S   HC   _HA2    21     1.09745   109.36138   -15.29161
   22    20 S   C    _C2_    22     1.53362   108.34230  -130.97195
   23    22 S   O    _O2_    23     1.23006   122.36244  -145.34510
   24    20 S   CT   _CB2    32     1.53400   111.25415   106.77286
   25    24 S   HC   HB21    33     1.09594   109.81279    53.60225
   26    24 S   HC   HB22    34     1.09465   110.34328   172.66543
   27    22 S   N    _N3_    24     1.38546   113.27774    42.15015
   28    27 S   H    _HN3    25     1.01526   118.90483    -0.62307
   29    24 S   S    _SG2    35     1.82743   111.47119   -67.52924
   30    27 S   CT   _CA3    26     1.45432   123.30361   174.80314
   31    30 S   HC   HA31    27     1.09534   109.05319    27.86229
   32    30 S   HC   HA32    28     1.09489   107.16897   144.86026
   33    29 S   CT   _C19    36     1.85240    99.72518   163.83431
   34    33 S   HC   _H3_    37     1.09620   106.10696   -52.61308
   35    30 S   CO3  _C3_    29     1.52949   113.24872   -95.46389
   36    35 S   O2Z  _O31    30     1.26393   115.48077   -42.50882
   37    35 S   O2Z  _O32    31     1.26367   114.93360   138.42926
   38    33 S   C5B  _C20    38     1.51014   111.43151    63.32672
   39    33 S   CM   _C16    69     1.55352   109.18961  -169.52642
   40    38 S   C56B _C23    39     1.43596   126.57781  -126.47582
   41    38 S   C5A  _C21    51     1.38767   126.81822    52.64810
   42    39 S   CMA  _C17    70     1.38429   119.00554    77.55358
   43    42 S   OM   _O35    71     1.27280   126.93562  -178.89837
   44    40 S   CA   _C24    40     1.41152   134.17549    -1.03967
   45    44 S   HA   _H17    41     1.08633   120.82239    -0.34830
   46    41 S   CM   _C6_    52     1.41962   132.60043     2.51692
   47    42 S   OS   _O36    72     1.42418   111.68218     2.25949
   48    44 S   CA   _C25    42     1.39956   119.53313   179.75531
   49    48 S   HA   _H18    43     1.08681   119.53128   179.96044
   50    46 S   CM   _C7_    53     1.34768   120.49815    58.65467
   51    50 S   HC   _H7_    54     1.08877   118.76718   179.51342
   52    47 S   CT   _C18    73     1.42852   114.20767  -137.69329
   53    52 S   HC   _H13    74     1.09393   107.68178   170.52784
   54    52 S   HC   _H14    75     1.09536   111.17518    52.36313
   55    52 S   HC   _H15    76     1.09463   111.02831   -71.57652
   56    46 S   CO4  _C5_    77     1.49303   122.01066  -118.95622
   57    56 S   O    _O34    78     1.22309   124.38386  -166.08653
   58    48 S   CA   _C26    44     1.39226   120.70742    -0.02798
   59    58 S   HA   _H19    45     1.08706   119.60866  -179.98022
   60    50 S   C5B  _C8_    55     1.43286   126.44540     4.69235
   61    56 S   OS   _O33    79     1.36150   109.86475    14.85407
   62    58 S   CA   _C27    46     1.39710   120.94190     0.02798
   63    62 S   HA   _H20    47     1.08495   120.90360   179.97202
   64    60 S   C56B _C9_    56     1.43118   123.97843   121.23140
   65    60 S   C5A  _C15    68     1.39014   127.50941   -59.37170
   66    61 S   CT   _C4_    80     1.43029   115.53362   177.96394
   67    66 S   HC   _H4_    81     1.09329   108.07315  -178.95883
   68    66 S   HC   _H5_    82     1.09411   110.24802    62.32745
   69    66 S   HC   _H6_    83     1.09422   110.30713   -60.30670
   70    40 S   C56A _C22    48     1.39590   107.52777   178.71306
   71    64 S   CA   _C10    57     1.41210   134.63983     1.09967
   72    71 S   HA   _H8_    58     1.08630   120.76094     0.78435
   73    70 S   NA   _N5_    49     1.37480   107.21733     0.18345
   74    73 S   H    _H16    50     1.01085   124.42040   179.54846
   75    71 S   CA   _C11    59     1.39968   119.43722  -179.31016
   76    75 S   HA   _H9_    60     1.08675   119.55240  -179.79537
   77    75 S   CA   _C12    61     1.39263   120.68533     0.27554
   78    77 S   HA   _H10    62     1.08701   119.62288   179.97202
   79    77 S   CA   _C13    63     1.39733   120.94551     0.12195
   80    79 S   HA   _H11    64     1.08488   121.00359   179.77100
   81    64 S   C56A _C14    65     1.39183   106.95949  -177.67898
   82    81 S   NA   _N4_    66     1.37293   106.94520    -0.15066
   83    82 S   H    _H12    67     1.01089   124.33744  -178.03228
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  15   6   2   1   1  15  13  12  12   9   3   8   4  12   5   6
   3  11   4   3   2   1   1   8   2   5   3   9   4   4   2  11
   5   3   2   1   1   2   8   4   1   1   6   3   5   3   4   2
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    41    65    39    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    44    70    73    41    46    60    82    65    39    42    43    47  
   38    40    41    65    39    42  
   36    37  
   37  
    0  
   40    44    45    48    62    70    73    74    41    46    50    65    39    42    56  
   42    43    47    52    40    41    50    60    64    65    81    82    83  
   44    45    48    49    58    62    63    70    73    74    41    46  
   46    50    51    60    56    57    61    44    62    70    73    74  
   43    47    52    53    54    55    60    65    82  
   47    52    65  
   45    48    49    58    59    62    70    73  
   48    49    58    70  
   50    51    60    64    65    56    57    61    66    70    73    74  
   52    53    54    55    65  
   49    58    59    62    63    70  
   58    59    62  
   51    60    64    71    81    82    65    56    57    61    73  
   60    64    65    56  
   53    54    55  
   54    55  
   55  
    0  
   57    61    66    67    68    69    60    73  
   61    66  
   59    62    63    70    73  
   62    63    70  
   64    71    72    75    79    81    82    83    65  
   66    67    68    69  
   63    70    73    74  
   70    73  
   71    72    75    76    77    79    80    81    82    83    65  
   71    79    81    82    83  
   67    68    69  
   68    69  
   69  
    0  
   73    74  
   72    75    76    77    78    79    81    82  
   75    76    77    81  
   74  
    0  
   76    77    78    79    80    81  
   77    78    79  
   78    79    80    81    82  
   79    80    81  
   80    81    82    83  
   81    82  
   82    83  
   83  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.163400   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700   0.085700   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   46   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   60   3.5500   0.0700  -0.119000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   62   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   64   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700   0.085700   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   68   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   69   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   70   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   73   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   74   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   79   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   81   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
   82   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   83   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   295.000  1.494
   33    39   317.000  1.510
   38    40   380.000  1.440
   38    41   520.000  1.370
   40    44   469.000  1.404
   40    70   447.000  1.419
   44    45   367.000  1.080
   44    48   469.000  1.400
   48    49   367.000  1.080
   48    58   469.000  1.400
   58    59   367.000  1.080
   58    62   469.000  1.400
   62    63   367.000  1.080
   62    70   469.000  1.400
   70    73   428.000  1.380
   73    74   434.000  1.010
   73    41   427.000  1.381
   41    46   375.000  1.423
   46    50   549.000  1.340
   46    56   320.000  1.462
   50    51   340.000  1.080
   50    60   320.000  1.460
   60    64   380.000  1.440
   60    65   520.000  1.370
   64    71   469.000  1.404
   64    81   447.000  1.419
   71    72   367.000  1.080
   71    75   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    78   367.000  1.080
   77    79   469.000  1.400
   79    80   367.000  1.080
   79    81   469.000  1.400
   81    82   428.000  1.380
   82    83   434.000  1.010
   82    65   427.000  1.381
   65    39   375.000  1.423
   39    42   465.000  1.376
   42    43   745.000  1.250
   42    47   440.000  1.360
   47    52   320.000  1.410
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   56    57   570.000  1.229
   56    61   214.000  1.327
   61    66   320.000  1.410
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    40    55.00000  128.73000
   33    38    41    55.00000  127.77900
   33    39    65    65.00000  118.87000
   33    39    42    70.00000  124.00000
   38    33    34    45.00000  111.11700
   38    40    44    50.00000  134.85500
   38    40    70    80.00000  107.43600
   38    41    73    70.00000  106.30000
   38    41    46    55.00000  128.32000
   40    44    45    35.00000  120.00000
   40    44    48    63.00000  120.00000
   40    70    62    85.00000  122.70000
   40    70    73    70.00000  104.40000
   44    48    49    35.00000  120.00000
   44    48    58    63.00000  120.00000
   48    44    45    35.00000  120.00000
   48    58    59    35.00000  120.00000
   48    58    62    63.00000  120.00000
   58    48    49    35.00000  120.00000
   58    62    63    35.00000  120.00000
   58    62    70    85.00000  120.00000
   62    58    59    35.00000  120.00000
   62    70    73    70.00000  132.80000
   70    40    44    85.00000  116.20000
   70    62    63    35.00000  120.00000
   70    73    74    35.00000  123.10000
   70    73    41    90.00000  107.14200
   73    41    46    70.00000  120.38000
   41    38    40    80.00000  105.82900
   41    73    74    35.00000  120.00000
   41    46    50    55.00000  128.24000
   41    46    56    75.00000  114.44000
   46    50    51    35.00000  120.00000
   46    50    60    60.00000  123.20500
   46    56    57    80.00000  123.72100
   46    56    61    90.00000  111.29400
   50    60    64    60.00000  120.93500
   50    60    65    60.00000  120.93500
   60    50    51    40.00000  117.26300
   60    64    71    50.00000  134.85500
   60    64    81    80.00000  107.43600
   60    65    82    70.00000  106.30000
   60    65    39    55.00000  128.32000
   64    71    72    35.00000  120.00000
   64    71    75    63.00000  120.00000
   64    81    79    85.00000  122.70000
   64    81    82    70.00000  104.40000
   71    75    76    35.00000  120.00000
   71    75    77    63.00000  120.00000
   75    71    72    35.00000  120.00000
   75    77    78    35.00000  120.00000
   75    77    79    63.00000  120.00000
   77    75    76    35.00000  120.00000
   77    79    80    35.00000  120.00000
   77    79    81    85.00000  120.00000
   79    77    78    35.00000  120.00000
   79    81    82    70.00000  132.80000
   81    64    71    85.00000  116.20000
   81    79    80    35.00000  120.00000
   81    82    83    35.00000  123.10000
   81    82    65    90.00000  107.14200
   82    65    39    70.00000  120.38000
   65    60    64    80.00000  105.82900
   65    82    83    35.00000  120.00000
   65    39    42    55.00000  128.24000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.36000
   39    42    43    65.00000  137.10300
   39    42    47    80.00000  120.01400
   42    47    52    90.00000  111.18400
   47    42    43    65.00000  121.00000
   47    52    53    35.00000  109.50000
   47    52    54    35.00000  109.50000
   47    52    55    35.00000  109.50000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   56    46    50    65.00000  118.96000
   56    61    66    83.00000  116.90000
   61    56    57    83.00000  123.40000
   61    66    67    35.00000  109.50000
   61    66    68    35.00000  109.50000
   61    66    69    35.00000  109.50000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    40  -0.16000  1.0 1.0
   29    33    38    40  -0.03200 -1.0 2.0
   29    33    38    40   0.04500  1.0 3.0
   29    33    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    39    65   0.09700  1.0 1.0
   29    33    39    65   0.15600 -1.0 2.0
   29    33    39    65  -0.50800  1.0 3.0
   29    33    39    42   0.42700  1.0 1.0
   29    33    39    42  -0.70350 -1.0 2.0
   29    33    39    42  -0.43150  1.0 3.0
   33    38    40    44   3.62500 -1.0 2.0
   33    38    40    70   3.62500 -1.0 2.0
   33    38    41    73   3.62500 -1.0 2.0
   33    38    41    46   3.62500 -1.0 2.0
   33    39    42    43   7.00000 -1.0 2.0
   33    39    42    47   7.00000 -1.0 2.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    39    65   0.77000  1.0 3.0
   34    33    39    42   0.00000  1.0 1.0
   38    33    39    65   0.09700  1.0 1.0
   38    33    39    65   0.15600 -1.0 2.0
   38    33    39    65  -0.50800  1.0 3.0
   38    33    39    42   1.44450  1.0 1.0
   38    33    39    42   0.06600 -1.0 2.0
   38    33    39    42   0.29250  1.0 3.0
   38    40    44    45   3.62500 -1.0 2.0
   38    40    44    48   3.62500 -1.0 2.0
   38    40    70    62   3.00000 -1.0 2.0
   38    40   -70    73   3.00000 -1.0 2.0
   38    41    46    50   0.15800  1.0 1.0
   38    41    46    50   1.85350 -1.0 2.0
   38    41    46    50  -0.48700  1.0 3.0
   38    41    46    56  -0.01750  1.0 1.0
   38    41    46    56  -0.32000 -1.0 2.0
   38    41    46    56   0.00600  1.0 3.0
   40    38   -41    73   3.62500 -1.0 2.0
   40    38    41    46   3.62500 -1.0 2.0
   40    44    48    49   3.62500 -1.0 2.0
   40    44    48    58   3.62500 -1.0 2.0
   40    70    73    74   1.52500 -1.0 2.0
   40    70   -73    41   3.62500 -1.0 2.0
   44    40    70    62   3.00000 -1.0 2.0
   44    40    70    73   3.00000 -1.0 2.0
   44    48    58    59   3.62500 -1.0 2.0
   44    48   -58    62   3.62500 -1.0 2.0
   45    44    48    49   3.62500 -1.0 2.0
   45    44    48    58   3.62500 -1.0 2.0
   48    58    62    63   3.62500 -1.0 2.0
   48    58    62    70   3.62500 -1.0 2.0
   49    48    58    59   3.62500 -1.0 2.0
   49    48    58    62   3.62500 -1.0 2.0
   58    62   -70    40   3.62500 -1.0 2.0
   58    62    70    73   3.62500 -1.0 2.0
   59    58    62    63   3.62500 -1.0 2.0
   59    58    62    70   3.62500 -1.0 2.0
   62    70    73    74   1.52500 -1.0 2.0
   62    70    73    41   3.62500 -1.0 2.0
   63    62    70    40   3.62500 -1.0 2.0
   63    62    70    73   3.62500 -1.0 2.0
   70    40    44    45   3.50000 -1.0 2.0
   70    40   -44    48   3.50000 -1.0 2.0
   70    73   -41    38   3.62500 -1.0 2.0
   70    73    41    46   3.62500 -1.0 2.0
   73    41    46    50   0.11450  1.0 1.0
   73    41    46    50   1.85100 -1.0 2.0
   73    41    46    50  -0.49050  1.0 3.0
   73    41    46    56  -0.01750  1.0 1.0
   73    41    46    56  -0.32000 -1.0 2.0
   73    41    46    56   0.00600  1.0 3.0
   74    73    41    38   1.40000 -1.0 2.0
   74    73    41    46   2.00000 -1.0 2.0
   41    38    40    44   3.62500 -1.0 2.0
   41    38   -40    70   3.50000 -1.0 2.0
   41    46    50    51   7.00000 -1.0 2.0
   41    46    50    60   7.00000 -1.0 2.0
   41    46    56    57  -0.52200  1.0 1.0
   41    46    56    57   0.82950 -1.0 2.0
   41    46    56    61   1.50000 -1.0 2.0
   46    50    60    64   0.15800  1.0 1.0
   46    50    60    64   1.85350 -1.0 2.0
   46    50    60    64  -0.48700  1.0 3.0
   46    50    60    65   0.15800  1.0 1.0
   46    50    60    65   1.85350 -1.0 2.0
   46    50    60    65  -0.48700  1.0 3.0
   46    56    61    66   2.00000 -1.0 2.0
   50    46    56    57   1.00000 -1.0 2.0
   50    46    56    61  -0.56150  1.0 1.0
   50    46    56    61   2.19150 -1.0 2.0
   50    60    64    71   3.62500 -1.0 2.0
   50    60    64    81   3.62500 -1.0 2.0
   50    60    65    82   3.62500 -1.0 2.0
   50    60    65    39   3.62500 -1.0 2.0
   51    50    60    64   0.56550  1.0 3.0
   51    50    60    65   0.56550  1.0 3.0
   60    64    71    72   3.62500 -1.0 2.0
   60    64    71    75   3.62500 -1.0 2.0
   60    64    81    79   3.00000 -1.0 2.0
   60    64   -81    82   3.00000 -1.0 2.0
   60    65    39    33  -0.02500  1.0 1.0
   60    65    39    33  -0.32150 -1.0 2.0
   60    65    39    33  -0.01500  1.0 3.0
   60    65    39    42   0.15800  1.0 1.0
   60    65    39    42   1.85350 -1.0 2.0
   60    65    39    42  -0.48700  1.0 3.0
   64    60   -65    82   3.62500 -1.0 2.0
   64    60    65    39   3.62500 -1.0 2.0
   64    71    75    76   3.62500 -1.0 2.0
   64    71    75    77   3.62500 -1.0 2.0
   64    81    82    83   1.52500 -1.0 2.0
   64    81   -82    65   3.62500 -1.0 2.0
   71    64    81    79   3.00000 -1.0 2.0
   71    64    81    82   3.00000 -1.0 2.0
   71    75    77    78   3.62500 -1.0 2.0
   71    75   -77    79   3.62500 -1.0 2.0
   72    71    75    76   3.62500 -1.0 2.0
   72    71    75    77   3.62500 -1.0 2.0
   75    77    79    80   3.62500 -1.0 2.0
   75    77    79    81   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   76    75    77    79   3.62500 -1.0 2.0
   77    79   -81    64   3.62500 -1.0 2.0
   77    79    81    82   3.62500 -1.0 2.0
   78    77    79    80   3.62500 -1.0 2.0
   78    77    79    81   3.62500 -1.0 2.0
   79    81    82    83   1.52500 -1.0 2.0
   79    81    82    65   3.62500 -1.0 2.0
   80    79    81    64   3.62500 -1.0 2.0
   80    79    81    82   3.62500 -1.0 2.0
   81    64    71    72   3.50000 -1.0 2.0
   81    64   -71    75   3.50000 -1.0 2.0
   81    82   -65    60   3.62500 -1.0 2.0
   81    82    65    39   3.62500 -1.0 2.0
   82    65    39    33  -0.01750  1.0 1.0
   82    65    39    33  -0.32000 -1.0 2.0
   82    65    39    33   0.00600  1.0 3.0
   82    65    39    42   0.11450  1.0 1.0
   82    65    39    42   1.85100 -1.0 2.0
   82    65    39    42  -0.49050  1.0 3.0
   83    82    65    60   1.40000 -1.0 2.0
   83    82    65    39   2.00000 -1.0 2.0
   65    60    64    71   3.62500 -1.0 2.0
   65    60   -64    81   3.50000 -1.0 2.0
   65    39    42    43   7.00000 -1.0 2.0
   65    39    42    47   7.00000 -1.0 2.0
   39    33    38    40   0.18050 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    42    47    52  -2.26850  1.0 1.0
   39    42    47    52   3.39050 -1.0 2.0
   42    47    52    53   0.08050  1.0 3.0
   42    47    52    54   0.08050  1.0 3.0
   42    47    52    55   0.08050  1.0 3.0
   43    42    47    52   2.00000 -1.0 2.0
   56    46    50    51   7.00000 -1.0 2.0
   56    46    50    60   7.00000 -1.0 2.0
   56    61    66    67   0.08050  1.0 3.0
   56    61    66    68   0.08050  1.0 3.0
   56    61    66    69   0.08050  1.0 3.0
   57    56    61    66   3.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   40    41    38    33   4.00000 -1.0 2.0
   44    70    40    38   4.00000 -1.0 2.0
   48    45    44    40   1.10000 -1.0 2.0
   58    49    48    44   1.10000 -1.0 2.0
   62    59    58    48   1.10000 -1.0 2.0
   70    63    62    58   1.10000 -1.0 2.0
   62    73    70    40   4.00000 -1.0 2.0
   74    70    73    41   1.00000 -1.0 2.0
   73    46    41    38   4.00000 -1.0 2.0
   41    56    46    50   1.10000 -1.0 2.0
   60    51    50    46   1.10000 -1.0 2.0
   64    65    60    50   4.00000 -1.0 2.0
   71    81    64    60   4.00000 -1.0 2.0
   75    72    71    64   1.10000 -1.0 2.0
   77    76    75    71   1.10000 -1.0 2.0
   79    78    77    75   1.10000 -1.0 2.0
   81    80    79    77   1.10000 -1.0 2.0
   79    82    81    64   4.00000 -1.0 2.0
   83    81    82    65   1.00000 -1.0 2.0
   82    39    65    60   4.00000 -1.0 2.0
   33    65    39    42   1.10000 -1.0 2.0
   43    47    42    39   1.10000 -1.0 2.0
   46    61    56    57  10.50000 -1.0 2.0
END
