* LIGAND DATABASE FILE (OPLS2005)
*
001      86    88    158    238     456
    1     0 S   NP   _N1_     1    28.91592    97.69083   -20.56907
    2     1 S   H    _HN1     2     1.02954    74.92274    27.85172
    3     1 S   H    _H1_     3     1.02831    51.35543   155.07098
    4     1 S   H    _H2_     4     1.02779    81.53611   -83.83422
    5     1 S   CT   _CA1     5     1.50102   161.35367   137.20778
    6     5 S   HC   _HA1     6     1.09567   105.26468    74.09044
    7     5 S   CO3  _C1_     7     1.53836   112.32794   -46.27020
    8     7 S   O2Z  _O11     8     1.26372   114.99195   -44.51734
    9     7 S   O2Z  _O12     9     1.26231   114.93875   134.62269
   10     5 S   CT   _CB1    10     1.53076   107.43542  -167.85728
   11    10 S   HC   HB11    11     1.09823   109.55167   -49.27979
   12    10 S   HC   HB12    12     1.09821   110.35816    67.35553
   13    10 S   CT   _CG1    13     1.52971   112.55558  -170.28372
   14    13 S   HC   HG11    14     1.09570   110.47285   -60.77771
   15    13 S   HC   HG12    15     1.09645   110.01036    58.40768
   16    13 S   C    _CD1    16     1.51779   112.24480   178.83484
   17    16 S   O    _OE1    17     1.22724   123.29306    -3.33965
   18    16 S   N    _N2_    18     1.38599   111.59996   176.62664
   19    18 S   H    _HN2    19     1.01594   118.97691     2.01664
   20    18 S   CT1  _CA2    20     1.46212   123.41133  -178.86616
   21    20 S   HC   _HA2    21     1.09734   109.39897    -9.43240
   22    20 S   C    _C2_    22     1.53390   108.39168  -125.04914
   23    22 S   O    _O2_    23     1.23029   122.40240  -147.67429
   24    20 S   CT   _CB2    32     1.53518   111.34438   112.64563
   25    24 S   HC   HB21    33     1.09291   109.29207    56.64884
   26    24 S   HC   HB22    34     1.09439   109.84594   175.19368
   27    22 S   N    _N3_    24     1.38373   113.45774    39.81044
   28    27 S   H    _HN3    25     1.01645   119.49349    -3.64368
   29    24 S   S    _SG2    35     1.82771   111.16512   -65.81096
   30    27 S   CT   _CA3    26     1.45290   123.10460   176.92470
   31    30 S   HC   HA31    27     1.09553   107.52763   -63.60853
   32    30 S   HC   HA32    28     1.09558   107.93675    52.78807
   33    29 S   CT   _C18    36     1.84783   102.58754   154.87495
   34    33 S   HC   _H3_    37     1.09964   102.45385  -177.46541
   35    30 S   CO3  _C3_    29     1.52930   114.15784   174.76235
   36    35 S   O2Z  _O31    30     1.26364   116.06132    -1.06202
   37    35 S   O2Z  _O32    31     1.26431   114.41222   179.00377
   38    33 S   CT   _C16    38     1.55546   113.97517   -63.22187
   39    38 S   HC   _H36    39     1.09608   109.37503    70.12829
   40    38 S   CO4  _C12    40     1.53779   110.61441  -175.16600
   41    40 S   O    _O22    41     1.23096   122.47720   159.29029
   42    38 S   CT   _C24    79     1.54927   115.29347   -49.63232
   43    42 S   HC   _H51    80     1.09786   109.33243  -177.52156
   44    42 S   HC   _H52    81     1.09596   109.55931    67.97683
   45    40 S   CM   _C10    42     1.48307   119.31482   -23.17351
   46    45 S   HC   _H31    43     1.08374   117.84802   175.22066
   47    42 S   CM   _C14    82     1.50365   114.76177   -56.83756
   48    47 S   HC   _H34    83     1.08700   117.52235   -59.69068
   49    45 S   CM   _C11    44     1.33596   120.21656    -4.58082
   50    47 S   CM   _C13    84     1.33801   123.99864   121.80663
   51    50 S   HC   _H32    85     1.08465   120.52724   179.06393
   52    50 S   HC   _H33    86     1.08445   121.68877    -0.55036
   53    33 S   CT   _C19    45     1.55767   115.36607    67.65051
   54    53 S   CT   _C17    46     1.54313   114.75259    65.87327
   55    54 S   HC   _H37    47     1.09941   109.21813    34.64659
   56    53 S   OS   _O26    74     1.43293   112.00528   -57.89646
   57    54 S   CT   _C15    48     1.54200   101.36458   150.41357
   58    57 S   HC   _H35    49     1.09894   110.72528    79.33417
   59    54 S   CT   _C20    70     1.52878   117.22465   -88.92101
   60    59 S   HC   _H39    71     1.09487   111.98380   -57.45733
   61    59 S   HC   _H40    72     1.09529   110.53514  -177.10721
   62    59 S   HC   _H41    73     1.09119   111.90470    64.05099
   63    56 S   CT   _C23    75     1.41762   119.43772  -103.75956
   64    63 S   HC   _H48    76     1.09387   107.76444   175.42397
   65    63 S   HC   _H49    77     1.09155   111.95739    57.06116
   66    63 S   HC   _H50    78     1.09375   110.87365   -67.06924
   67    57 S   CA   _C7_    50     1.51213   114.04655  -156.39995
   68    49 S   OS   _O23    69     1.38601   120.74924   175.09679
   69    67 S   CA   _C4_    51     1.39862   119.94033  -110.16871
   70    69 S   HA   _H28    52     1.08765   120.39092    -0.35110
   71    69 S   CA   _C5_    53     1.39662   120.74324   179.50032
   72    71 S   HA   _H29    54     1.08554   117.63284   179.97202
   73    71 S   CA   _C8_    55     1.39817   120.41170    -0.07402
   74    73 S   CA   _C9_    56     1.40724   119.49093    -0.02798
   75    73 S   OS   _O24    64     1.37343   124.58438  -179.98022
   76    67 S   CA   _C6_    57     1.40406   121.29764    69.14593
   77    76 S   HA   _H30    58     1.08630   118.11770     0.51700
   78    74 S   OS   _O25    59     1.37384   115.84618  -179.92087
   79    75 S   CT   _C21    65     1.42220   117.31112    -0.18557
   80    79 S   HC   _H42    66     1.09430   107.73738  -179.88986
   81    79 S   HC   _H43    67     1.09494   111.14101    62.40419
   82    79 S   HC   _H44    68     1.09495   111.14988   -62.17579
   83    78 S   CT   _C22    60     1.42218   117.38211   179.97202
   84    83 S   HC   _H45    61     1.09429   107.73347   179.98022
   85    83 S   HC   _H46    62     1.09496   111.14955    62.29392
   86    83 S   HC   _H47    63     1.09497   111.14767   -62.30961
  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  10   5   4   3
  19   8   2   1   1  15   8  10   4   9   4   3   7   3   4   3
  10   2   1   1  15  13   9   7  13   5   5   2   1   1   3   2
   1   1  10   2   8   4   7   3  10   9   6   3   1   4   3   2
   1   1   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    53    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    49    53    54    56    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    45    49    53    54    55    57    68    59    56    63    42    43    44    47  
   38    39    40    49    53    54    56    42  
   36    37  
   37  
    0  
   39    40    41    45    46    49    53    54    56    42    43    44    47    48    50  
   40    41    45    53    42    43    44    47  
   41    45    46    49    53    68    42    43    44    47  
   45    46    49    42  
   43    44    47    48    50    51    52    45    53  
   44    47    48    50  
   47    48    50  
   46    49    53    54    57    68    56  
   49    53    68  
   48    50    51    52  
   50    51    52  
   53    54    55    57    58    67    68    59    56    63  
   51    52  
   52  
    0  
   54    55    57    58    67    68    59    60    61    62    56    63    64    65    66  
   55    57    58    67    69    76    68    59    60    61    62    56    63  
   57    58    67    68    59    60    61    62    56  
   63    64    65    66    57    59    68  
   58    67    69    70    71    74    76    77    68    59    60    61    62  
   67    69    76    68    59  
   60    61    62    67    68  
   61    62  
   62  
    0  
   64    65    66  
   65    66  
   66  
    0  
   69    70    71    72    73    74    76    77    78    68  
   69    76  
   70    71    72    73    74    76    77    75  
   71    72    73    76  
   72    73    74    76    78    75    79  
   73    74    75  
   74    76    77    78    83    75    79    80    81    82  
   76    77    78    83    84    85    86    75    79  
   79    80    81    82    76    78  
   77    78    83  
   78  
   83    84    85    86  
   80    81    82  
   81    82  
   82  
    0  
   84    85    86  
   85    86  
   86  
    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   0.107500   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760   0.016000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.269000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   57   3.5000   0.0660   0.211800   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   68   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   69   3.5500   0.0700  -0.115000   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   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   74   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   75   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
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    53   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.522
   38    42   268.000  1.529
   40    41   570.000  1.229
   40    45   320.000  1.462
   45    46   340.000  1.080
   45    49   549.000  1.340
   49    53   317.000  1.510
   49    68   440.000  1.360
   53    54   268.000  1.529
   53    56   320.000  1.410
   54    55   340.000  1.090
   54    57   268.000  1.529
   54    59   268.000  1.529
   57    58   340.000  1.090
   57    67   317.000  1.510
   57    68   320.000  1.410
   67    69   469.000  1.400
   67    76   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   469.000  1.400
   73    75   450.000  1.364
   74    76   469.000  1.400
   74    78   450.000  1.364
   76    77   367.000  1.080
   78    83   320.000  1.410
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   75    79   320.000  1.410
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   56    63   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    47   317.000  1.510
   47    48   340.000  1.080
   47    50   549.000  1.340
   50    51   340.000  1.080
   50    52   340.000  1.080
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    53    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    63.00000  111.10000
   33    38    42    58.35000  112.70000
   33    53    49    70.00000  112.02700
   33    53    54    58.35000  112.70000
   33    53    56    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    80.00000  120.40000
   38    40    45    65.00000  118.62400
   38    42    43    37.50000  110.70000
   38    42    44    37.50000  110.70000
   38    42    47    70.00000  112.02700
   40    38    39    35.00000  109.50000
   40    45    46    40.00000  117.72500
   40    45    49    65.00000  118.96000
   45    40    41    80.00000  123.72100
   45    49    53    70.00000  124.00000
   45    49    68    80.00000  120.01400
   49    45    46    35.00000  120.00000
   49    53    54    70.00000  112.02700
   49    53    56    85.00000  110.90400
   49    68    57    90.00000  111.18400
   53    33    34    37.50000  110.70000
   53    33    38    58.35000  112.70000
   53    54    55    37.50000  110.70000
   53    54    57    58.35000  112.70000
   53    54    59    58.35000  112.70000
   53    56    63    60.00000  109.50000
   54    57    58    37.50000  110.70000
   54    57    67    70.00000  112.17500
   54    57    68    50.00000  109.50000
   54    59    60    37.50000  110.70000
   54    59    61    37.50000  110.70000
   54    59    62    37.50000  110.70000
   57    54    55    37.50000  110.70000
   57    67    69    70.00000  120.00000
   57    67    76    70.00000  120.00000
   67    57    58    35.00000  109.50000
   67    69    70    35.00000  120.00000
   67    69    71    63.00000  120.00000
   67    76    74    63.00000  120.00000
   67    76    77    35.00000  120.00000
   69    71    72    35.00000  120.00000
   69    71    73    63.00000  120.00000
   71    69    70    35.00000  120.00000
   71    73    74    63.00000  120.00000
   71    73    75    70.00000  120.00000
   73    71    72    35.00000  120.00000
   73    74    76    63.00000  120.00000
   73    74    78    70.00000  120.00000
   73    75    79    75.00000  111.00000
   74    76    77    35.00000  120.00000
   74    78    83    75.00000  111.00000
   76    67    69    63.00000  120.00000
   78    74    76    70.00000  120.00000
   78    83    84    35.00000  109.50000
   78    83    85    35.00000  109.50000
   78    83    86    35.00000  109.50000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   75    73    74    70.00000  120.00000
   75    79    80    35.00000  109.50000
   75    79    81    35.00000  109.50000
   75    79    82    35.00000  109.50000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   68    49    53    85.00000  112.85300
   68    57    58    35.00000  109.50000
   68    57    67    85.00000  111.85700
   59    54    55    37.50000  110.70000
   59    54    57    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   56    53    54    50.00000  109.50000
   56    63    64    35.00000  109.50000
   56    63    65    35.00000  109.50000
   56    63    66    35.00000  109.50000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   42    38    39    37.50000  110.70000
   42    38    40    63.00000  111.10000
   42    47    48    35.00000  117.00000
   42    47    50    70.00000  124.00000
   44    42    43    33.00000  107.80000
   47    42    43    35.00000  109.50000
   47    42    44    35.00000  109.50000
   47    50    51    35.00000  120.00000
   47    50    52    35.00000  120.00000
   50    47    48    35.00000  120.00000
   52    50    51    35.00000  117.00000
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    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   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    38    39   0.15000  1.0 3.0
   29    33    38    40   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    53    49   0.56750  1.0 1.0
   29    33    53    49  -0.07550 -1.0 2.0
   29    33    53    49   0.20000  1.0 3.0
   29    33    53    54   0.44750  1.0 1.0
   29    33    53    54  -0.17800 -1.0 2.0
   29    33    53    54   0.20200  1.0 3.0
   29    33    53    56   0.56750  1.0 1.0
   29    33    53    56  -0.07550 -1.0 2.0
   29    33    53    56   0.20000  1.0 3.0
   33    38    40    41   0.30150 -1.0 2.0
   33    38    40    45   0.65300  1.0 1.0
   33    38    40    45  -0.03850 -1.0 2.0
   33    38    40    45   0.33900  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    44   0.15000  1.0 3.0
   33    38    42    47   0.34400  1.0 1.0
   33    38    42    47   0.09450 -1.0 2.0
   33    38    42    47   0.11100  1.0 3.0
   33    53    54    55   0.15000  1.0 3.0
   33    53    54    57   0.56750  1.0 1.0
   33    53    54    57  -0.07550 -1.0 2.0
   33    53    54    57   0.20000  1.0 3.0
   33    53    54    59   0.56750  1.0 1.0
   33    53    54    59  -0.07550 -1.0 2.0
   33    53    54    59   0.20000  1.0 3.0
   33    53    56    63   0.06250  1.0 1.0
   33    53    56    63  -0.01100 -1.0 2.0
   33    53    56    63   0.28050  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40  -0.11250  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    53    49   0.15000  1.0 3.0
   34    33    53    54   0.15000  1.0 3.0
   34    33    53    56   0.23400  1.0 3.0
   38    33    53    49   0.34400  1.0 1.0
   38    33    53    49   0.09450 -1.0 2.0
   38    33    53    49   0.11100  1.0 3.0
   38    33    53    54   0.56750  1.0 1.0
   38    33    53    54  -0.07550 -1.0 2.0
   38    33    53    54   0.20000  1.0 3.0
   38    33    53    56   0.62750  1.0 1.0
   38    33    53    56  -0.30950 -1.0 2.0
   38    33    53    56   0.27300  1.0 3.0
   38    40    45    46   0.04550  1.0 1.0
   38    40    45    46   0.83000 -1.0 2.0
   38    40    45    46  -0.04000  1.0 3.0
   38    40   -45    49  -0.33500  1.0 1.0
   38    40   -45    49   1.06600 -1.0 2.0
   38    40   -45    49  -0.14000  1.0 3.0
   38    42    47    48   0.00000  1.0 1.0
   38    42    47    50   0.09850  1.0 1.0
   38    42    47    50   0.15250 -1.0 2.0
   38    42    47    50  -0.50650  1.0 3.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    45   0.00000  1.0 1.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    44   0.15000  1.0 3.0
   39    38    42    47   0.15000  1.0 3.0
   40    38    42    43  -0.11250  1.0 3.0
   40    38    42    44  -0.11250  1.0 3.0
   40    38    42    47  -0.98800  1.0 1.0
   40    38    42    47   0.48800 -1.0 2.0
   40    38    42    47   0.76800  1.0 3.0
   40    45    49    53   7.00000 -1.0 2.0
   40    45    49    68   7.00000 -1.0 2.0
   41    40    45    46   0.00000  1.0 1.0
   41    40    45    49   1.00000 -1.0 2.0
   45    49   -53    33   0.09850  1.0 1.0
   45    49   -53    33   0.15250 -1.0 2.0
   45    49   -53    33  -0.50650  1.0 3.0
   45    49    53    54   0.09850  1.0 1.0
   45    49    53    54   0.15250 -1.0 2.0
   45    49    53    54  -0.50650  1.0 3.0
   45    49    53    56   0.39000  1.0 1.0
   45    49    53    56  -0.05800 -1.0 2.0
   45    49    53    56  -0.55150  1.0 3.0
   45    49    68    57  -2.26850  1.0 1.0
   45    49    68    57   3.39050 -1.0 2.0
   46    45    49    53   7.00000 -1.0 2.0
   46    45    49    68   7.00000 -1.0 2.0
   49    53    54    55   0.15000  1.0 3.0
   49    53   -54    57   0.34400  1.0 1.0
   49    53   -54    57   0.09450 -1.0 2.0
   49    53   -54    57   0.11100  1.0 3.0
   49    53    54    59   0.34400  1.0 1.0
   49    53    54    59   0.09450 -1.0 2.0
   49    53    54    59   0.11100  1.0 3.0
   49    53    56    63  -0.77900  1.0 1.0
   49    53    56    63  -0.36900 -1.0 2.0
   49    53    56    63   0.40400  1.0 3.0
   53    33    38    39   0.15000  1.0 3.0
   53    33   -38    40  -0.95700  1.0 1.0
   53    33   -38    40  -0.18200 -1.0 2.0
   53    33   -38    40   0.29450  1.0 3.0
   53    33    38    42   0.56750  1.0 1.0
   53    33    38    42  -0.07550 -1.0 2.0
   53    33    38    42   0.20000  1.0 3.0
   53    49   -68    57   2.00000 -1.0 2.0
   53    54    57    58   0.15000  1.0 3.0
   53    54    57    67  -0.03700  1.0 1.0
   53    54    57    67   0.37200 -1.0 2.0
   53    54    57    67  -0.47300  1.0 3.0
   53    54   -57    68   0.62750  1.0 1.0
   53    54   -57    68  -0.30950 -1.0 2.0
   53    54   -57    68   0.27300  1.0 3.0
   53    54    59    60   0.15000  1.0 3.0
   53    54    59    61   0.15000  1.0 3.0
   53    54    59    62   0.15000  1.0 3.0
   53    56    63    64   0.37050  1.0 3.0
   53    56    63    65   0.37050  1.0 3.0
   53    56    63    66   0.37050  1.0 3.0
   54    53    56    63   0.06250  1.0 1.0
   54    53    56    63  -0.01100 -1.0 2.0
   54    53    56    63   0.28050  1.0 3.0
   54    57    67    69   0.04150 -1.0 2.0
   54    57    67    76   0.04150 -1.0 2.0
   54    57   -68    49  -0.46850  1.0 1.0
   54    57   -68    49   0.09300 -1.0 2.0
   54    57   -68    49  -0.12850  1.0 3.0
   55    54    57    58   0.15000  1.0 3.0
   55    54    57    67   0.43200  1.0 3.0
   55    54    57    68   0.23400  1.0 3.0
   55    54    59    60   0.15000  1.0 3.0
   55    54    59    61   0.15000  1.0 3.0
   55    54    59    62   0.15000  1.0 3.0
   57    54    59    60   0.15000  1.0 3.0
   57    54    59    61   0.15000  1.0 3.0
   57    54    59    62   0.15000  1.0 3.0
   57    67    69    70   3.62500 -1.0 2.0
   57    67    69    71   3.62500 -1.0 2.0
   57    67    76    74   3.62500 -1.0 2.0
   57    67    76    77   3.62500 -1.0 2.0
   58    57    67    69   0.00000  1.0 1.0
   58    57    67    76   0.00000  1.0 1.0
   58    57    68    49   0.08050  1.0 3.0
   67    57    68    49  -0.48150  1.0 1.0
   67    57    68    49   0.09250 -1.0 2.0
   67    57    68    49  -0.12850  1.0 3.0
   67    69    71    72   3.62500 -1.0 2.0
   67    69    71    73   3.62500 -1.0 2.0
   69    67    76    74   3.62500 -1.0 2.0
   69    67    76    77   3.62500 -1.0 2.0
   69    71   -73    74   3.62500 -1.0 2.0
   69    71    73    75   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    73   3.62500 -1.0 2.0
   71    73    74    76   3.62500 -1.0 2.0
   71    73    74    78   3.62500 -1.0 2.0
   71    73    75    79   1.63200 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    74   -76    67   3.62500 -1.0 2.0
   73    74    76    77   3.62500 -1.0 2.0
   73    74    78    83   1.63200 -1.0 2.0
   73    75    79    80   0.08050  1.0 3.0
   73    75    79    81   0.08050  1.0 3.0
   73    75    79    82   0.08050  1.0 3.0
   74    73    75    79   1.63200 -1.0 2.0
   74    78    83    84   0.08050  1.0 3.0
   74    78    83    85   0.08050  1.0 3.0
   74    78    83    86   0.08050  1.0 3.0
   76    67    69    70   3.62500 -1.0 2.0
   76    67   -69    71   3.62500 -1.0 2.0
   76    74    78    83   1.63200 -1.0 2.0
   78    74    76    67   3.62500 -1.0 2.0
   78    74    76    77   3.62500 -1.0 2.0
   75    73    74    76   3.62500 -1.0 2.0
   75    73    74    78   3.62500 -1.0 2.0
   68    49    53    33   0.09700  1.0 1.0
   68    49    53    33   0.15600 -1.0 2.0
   68    49    53    33  -0.50800  1.0 3.0
   68    49   -53    54   0.09700  1.0 1.0
   68    49   -53    54   0.15600 -1.0 2.0
   68    49   -53    54  -0.50800  1.0 3.0
   68    49    53    56   0.09700  1.0 1.0
   68    49    53    56   0.15600 -1.0 2.0
   68    49    53    56  -0.50800  1.0 3.0
   68    57    67    69   0.64500  1.0 1.0
   68    57    67    69   0.14800 -1.0 2.0
   68    57    67    69   0.20650  1.0 3.0
   68    57    67    76   0.64500  1.0 1.0
   68    57    67    76   0.14800 -1.0 2.0
   68    57    67    76   0.20650  1.0 3.0
   59    54    57    58   0.15000  1.0 3.0
   59    54    57    67  -0.03700  1.0 1.0
   59    54    57    67   0.37200 -1.0 2.0
   59    54    57    67  -0.47300  1.0 3.0
   59    54    57    68   0.62750  1.0 1.0
   59    54    57    68  -0.30950 -1.0 2.0
   59    54    57    68   0.27300  1.0 3.0
   56    53    54    55   0.23400  1.0 3.0
   56    53    54    57   0.62750  1.0 1.0
   56    53    54    57  -0.30950 -1.0 2.0
   56    53    54    57   0.27300  1.0 3.0
   56    53    54    59   0.62750  1.0 1.0
   56    53    54    59  -0.30950 -1.0 2.0
   56    53    54    59   0.27300  1.0 3.0
   42    38    40    41   0.30150 -1.0 2.0
   42    38    40    45   0.65300  1.0 1.0
   42    38    40    45  -0.03850 -1.0 2.0
   42    38    40    45   0.33900  1.0 3.0
   42    47    50    51   7.00000 -1.0 2.0
   42    47    50    52   7.00000 -1.0 2.0
   43    42    47    48   0.33100  1.0 3.0
   43    42    47    50   0.00000  1.0 1.0
   44    42    47    48   0.33100  1.0 3.0
   44    42    47    50   0.00000  1.0 1.0
   48    47    50    51   7.00000 -1.0 2.0
   48    47    50    52   7.00000 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   38    45    40    41  10.50000 -1.0 2.0
   40    46    45    49   1.10000 -1.0 2.0
   53    68    49    45   1.10000 -1.0 2.0
   69    76    67    57   4.00000 -1.0 2.0
   71    70    69    67   1.10000 -1.0 2.0
   73    72    71    69   1.10000 -1.0 2.0
   74    75    73    71   4.00000 -1.0 2.0
   76    78    74    73   4.00000 -1.0 2.0
   74    77    76    67   1.10000 -1.0 2.0
   42    48    47    50  15.00000 -1.0 2.0
   51    52    50    47  15.00000 -1.0 2.0
END
