* LIGAND DATABASE FILE (OPLS2005)
*
001      81    82    146    212     417
    1     0 S   NP   _N1_     1    28.84233    95.43440   -21.38245
    2     1 S   H    _HN1     2     1.02921    74.83262   -16.90245
    3     1 S   H    _H1_     3     1.02849    37.11006   132.84326
    4     1 S   H    _H2_     4     1.02843   101.49444  -122.95359
    5     1 S   CT   _CA1     5     1.50002   141.11922    87.47214
    6     5 S   HC   _HA1     6     1.09552   105.28915    86.50060
    7     5 S   CO3  _C1_     7     1.53660   112.68826   -34.26566
    8     7 S   O2Z  _O11     8     1.26445   115.17727   -43.80720
    9     7 S   O2Z  _O12     9     1.26166   115.13102   136.22494
   10     5 S   CT   _CB1    10     1.53079   107.58710  -155.10617
   11    10 S   HC   HB11    11     1.09840   109.72064   -47.31172
   12    10 S   HC   HB12    12     1.09774   110.33821    69.32235
   13    10 S   CT   _CG1    13     1.53071   112.47384  -168.07111
   14    13 S   HC   HG11    14     1.09536   111.06033   -63.87234
   15    13 S   HC   HG12    15     1.09620   109.53804    55.34295
   16    13 S   C    _CD1    16     1.51636   111.40572   176.66041
   17    16 S   O    _OE1    17     1.22769   122.68825    26.57908
   18    16 S   N    _N2_    18     1.38510   112.39805  -154.42789
   19    18 S   H    _HN2    19     1.01565   119.17181     3.29616
   20    18 S   CT1  _CA2    20     1.46278   123.31131   178.43928
   21    20 S   HC   _HA2    21     1.09602   108.94276    11.07091
   22    20 S   C    _C2_    22     1.53677   109.29645  -104.35724
   23    22 S   O    _O2_    23     1.23075   122.08492  -149.98122
   24    20 S   CT   _CB2    32     1.53436   111.52940   133.17818
   25    24 S   HC   HB21    33     1.09646   109.63529    62.17429
   26    24 S   HC   HB22    34     1.09555   111.32982   180.00000
   27    22 S   N    _N3_    24     1.38235   113.92643    37.41699
   28    27 S   H    _HN3    25     1.01497   119.67644    -2.70125
   29    24 S   S    _SG2    35     1.82670   113.34811   -57.01569
   30    27 S   CT   _CA3    26     1.45274   123.52124   177.53971
   31    30 S   HC   HA31    27     1.09538   107.49501   -66.28060
   32    30 S   HC   HA32    28     1.09548   108.08054    50.27003
   33    29 S   CT   _C19    36     1.82516    99.97075   -77.27988
   34    33 S   HC   _H25    37     1.09363   110.33630    34.40805
   35    33 S   HC   _H26    38     1.09498   107.19033   -82.61980
   36    30 S   CO3  _C3_    29     1.53042   113.83486   172.28879
   37    36 S   O2Z  _O31    30     1.26423   116.04273    -0.13417
   38    36 S   O2Z  _O32    31     1.26413   114.44369   179.93147
   39    33 S   CT   _C18    39     1.53248   111.74281   157.74121
   40    39 S   HC   _H23    40     1.09846   108.20506   166.37079
   41    39 S   HC   _H24    41     1.09656   110.76632    51.49175
   42    39 S   C5A  _C6_    42     1.50393   113.05719   -73.29900
   43    42 S   C5B  _C5_    43     1.38176   130.41715    99.26702
   44    43 S   N5P  _N4_    44     1.39989   112.39395  -179.75934
   45    43 S   CT   _C4_    78     1.48468   128.00395    -0.43611
   46    45 S   HC   _H4_    79     1.09264   111.54500   121.16885
   47    45 S   HC   _H5_    80     1.09427   110.80231  -117.07020
   48    45 S   HC   _H6_    81     1.09371   111.69625     2.21505
   49    44 S   CRP  _C7_    45     1.33231   114.44929     3.16180
   50    44 S   CT   _C8_    61     1.47664   122.54237  -179.97202
   51    50 S   HC   _H7_    62     1.09578   107.23469   -46.18392
   52    50 S   HC   _H8_    63     1.09230   110.74853  -161.88387
   53    42 S   SA   _S1_    46     1.71246   119.71474   -80.97462
   54    49 S   CT   _C14    47     1.50930   127.14535   173.79006
   55    54 S   HC   _H3_    48     1.09542   108.12003   -41.74316
   56    50 S   CA   _C9_    64     1.50900   113.38807    76.49070
   57    54 S   CT   _C15    49     1.54453   113.87796    80.61550
   58    57 S   HC   _H15    50     1.09471   109.00561   -53.50154
   59    54 S   OH   _O33    59     1.42877   108.47872  -155.62450
   60    59 S   HO   _H22    60     0.97188   107.98543   165.91461
   61    56 S   CA   _C10    65     1.38845   123.25161    21.05428
   62    61 S   HA   _H9_    66     1.08526   121.95355    -0.50007
   63    57 S   CT   _C16    51     1.53396   110.73906  -170.56283
   64    63 S   HC   _H16    52     1.09478   111.84228   -66.24701
   65    63 S   HC   _H17    53     1.09510   110.81069    54.64351
   66    63 S   HC   _H18    54     1.09552   110.55541   173.80818
   67    57 S   CT   _C17    55     1.53214   113.42591    66.51546
   68    67 S   HC   _H19    56     1.09490   111.71546    58.56994
   69    67 S   HC   _H20    57     1.09566   110.55709   178.48612
   70    67 S   HC   _H21    58     1.09390   111.31585   -62.68614
   71    61 S   NB   _N5_    67     1.34722   124.66210   179.61539
   72    71 S   CQ   _C11    68     1.34328   115.59262     0.15323
   73    72 S   NB   _N6_    69     1.34789   125.06797    -1.51840
   74    72 S   CT   _C13    74     1.49510   117.50775  -179.20697
   75    74 S   HC   _H12    75     1.09383   109.69196    89.23112
   76    74 S   HC   _H13    76     1.09431   110.63431  -150.72203
   77    74 S   HC   _H14    77     1.09431   110.65580   -30.82555
   78    56 S   CA   _C12    70     1.39608   121.66820  -161.53254
   79    78 S   NE   _N7_    71     1.39050   121.03457     2.50811
   80    79 S   H    _H10    72     1.01501   119.69936   -34.53174
   81    79 S   H    _H11    73     1.01286   116.17098   177.61025
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   7   5   4   3
   8   5   4   2   1   1   8   4   3  10  12  16   6   2   1   1
  13  11   4   3   4  13   6   9  11   9   3   1   7   3   7   3
   2   1   3   2   1   1   7   7   8   4   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    53  
   35    39    40    41    42  
   39    40    41    42  
   37    38  
   38  
    0  
   40    41    42    43    44    49    53    45  
   41    42    43    53  
   42    43    53  
   43    44    49    53    54    50    45    46    47    48  
   44    49    53    54    50    51    52    56    45    46    47    48  
   49    53    54    55    57    59    50    51    52    56    61    78    45    46    47    48  
   46    47    48    49    50    53  
   47    48  
   48  
    0  
   53    54    55    57    58    63    67    59    60    50    51    52    56  
   51    52    56    61    62    71    73    78    79    53    54  
   52    56    61    78  
   56    61    78  
   54    55    57    59  
   55    57    58    63    64    65    66    67    68    69    70    59    60  
   57    58    63    67    59    60  
   61    62    71    72    73    78    79    80    81  
   58    63    64    65    66    67    68    69    70    59    60  
   63    64    65    66    67    68    69    70    59  
   60    63    67  
    0  
   62    71    72    73    78    79    74  
   71    72    78  
   64    65    66    67    68    69    70  
   65    66    67  
   66    67  
   67  
   68    69    70  
   69    70  
   70  
    0  
   72    73    78    74    75    76    77  
   73    78    79    74    75    76    77  
   78    79    80    81    74    75    76    77  
   75    76    77    78  
   76    77  
   77  
    0  
   79    80    81  
   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0700  -0.017400   2.0020   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700  -0.028100   2.0020   1.7750   0.001000000  -0.843144165
   44   3.2500   0.1700   0.193300   1.9750   1.7500   0.001000000  -0.511443539
   45   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0700   0.068800   2.0020   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660   0.117500   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5600   0.3950   0.315900   2.0080   1.7800   0.025682759  -1.666211680
   54   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700  -0.607000   2.0020   1.7750   0.001000000  -0.843144165
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5500   0.0700   0.653000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.011000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.2500   0.1700  -0.839000   1.8000   1.6000   0.001000000  -0.511443539
   72   3.5500   0.0700   0.727000   2.0020   1.7750   0.001000000  -0.843144165
   73   3.2500   0.1700  -0.839000   1.8000   1.6000   0.001000000  -0.511443539
   74   3.5000   0.0660  -0.065000   2.4950   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   3.5500   0.0700   0.864000   2.0020   1.7750   0.001000000  -0.843144165
   79   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   80   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   81   0.5000   0.0300   0.360000   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   295.000  1.489
   42    43   520.000  1.370
   42    53   265.000  1.745
   43    44   420.000  1.386
   43    45   295.000  1.494
   44    49   520.000  1.338
   44    50   300.000  1.456
   49    53   260.000  1.741
   49    54   290.000  1.488
   54    55   340.000  1.090
   54    57   268.000  1.529
   54    59   320.000  1.410
   57    58   340.000  1.090
   57    63   268.000  1.529
   57    67   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   59    60   553.000  0.945
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    56   317.000  1.510
   56    61   469.000  1.400
   56    78   469.000  1.400
   61    62   367.000  1.080
   61    71   483.000  1.339
   71    72   502.000  1.324
   72    73   502.000  1.324
   72    74   317.000  1.510
   73    78   483.000  1.339
   78    79   481.000  1.340
   79    80   434.000  1.010
   79    81   434.000  1.010
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    70.00000  113.44400
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    42    43    55.00000  130.44200
   39    42    53    65.00000  123.52500
   41    39    40    33.00000  107.80000
   42    39    40    45.00000  110.47400
   42    39    41    45.00000  110.47400
   42    43    44    85.00000  109.61400
   42    43    45    55.00000  127.77900
   42    53    49   110.00000   90.05000
   43    44    49    80.00000  112.70000
   43    44    50    65.00000  125.09000
   43    45    46    45.00000  111.11700
   43    45    47    45.00000  111.11700
   43    45    48    45.00000  111.11700
   44    49    53    85.00000  110.81000
   44    49    54    60.00000  125.91000
   44    50    51    50.00000  107.70000
   44    50    52    50.00000  107.70000
   44    50    56    75.00000  110.34000
   49    54    55    45.00000  106.72000
   49    54    57    70.00000  112.17500
   49    54    59   105.00000   99.42000
   53    42    43    80.00000  111.29200
   54    49    53    60.00000  130.00000
   54    57    58    37.50000  110.70000
   54    57    63    58.35000  112.70000
   54    57    67    58.35000  112.70000
   54    59    60    55.00000  108.50000
   57    54    55    37.50000  110.70000
   57    63    64    37.50000  110.70000
   57    63    65    37.50000  110.70000
   57    63    66    37.50000  110.70000
   57    67    68    37.50000  110.70000
   57    67    69    37.50000  110.70000
   57    67    70    37.50000  110.70000
   63    57    58    37.50000  110.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   67    57    58    37.50000  110.70000
   67    57    63    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   59    54    55    35.00000  109.50000
   59    54    57    50.00000  109.50000
   50    44    49    65.00000  121.70000
   50    56    61    70.00000  120.00000
   50    56    78    70.00000  120.00000
   52    50    51    33.00000  107.80000
   56    50    51    35.00000  109.50000
   56    50    52    35.00000  109.50000
   56    61    62    35.00000  120.00000
   56    61    71    70.00000  124.00000
   56    78    73    70.00000  124.00000
   56    78    79    70.00000  120.10000
   61    71    72    70.00000  118.60000
   71    61    62    35.00000  116.00000
   71    72    73    70.00000  129.10000
   71    72    74    75.00000  115.74700
   72    73    78    70.00000  118.60000
   72    74    75    35.00000  109.50000
   72    74    76    35.00000  109.50000
   72    74    77    35.00000  109.50000
   73    78    79    80.00000  117.25000
   78    56    61    63.00000  120.00000
   78    79    80    35.00000  113.50000
   78    79    81    35.00000  113.50000
   81    79    80    35.00000  109.00000
   74    72    73    75.00000  115.74700
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   45    43    44    60.00000  130.00000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    39    42    43   0.04150 -1.0 2.0
   33    39    42    53  -1.00500  1.0 1.0
   33    39    42    53  -0.91300 -1.0 2.0
   33    39    42    53   0.11400  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.43200  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    42   0.43200  1.0 3.0
   39    42    43    44   3.62500 -1.0 2.0
   39    42    43    45   3.62500 -1.0 2.0
   39    42    53    49   3.62500 -1.0 2.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    53   0.00000  1.0 1.0
   41    39    42    43   0.00000  1.0 1.0
   41    39    42    53   0.00000  1.0 1.0
   42    43   -44    49   3.62500 -1.0 2.0
   42    43    44    50   3.62500 -1.0 2.0
   42    43    45    46   0.00000  1.0 1.0
   42    43    45    47   0.00000  1.0 1.0
   42    43    45    48   0.00000  1.0 1.0
   43    42   -53    49   3.62500 -1.0 2.0
   43    44   -49    53   3.62500 -1.0 2.0
   43    44    49    54   3.62500 -1.0 2.0
   43    44    50    51   0.00000  1.0 1.0
   43    44    50    52   0.00000  1.0 1.0
   43    44    50    56   0.68100  1.0 1.0
   43    44    50    56   0.03350 -1.0 2.0
   43    44    50    56   0.36200  1.0 3.0
   44    43    45    46   0.00000  1.0 1.0
   44    43    45    47   0.00000  1.0 1.0
   44    43    45    48   0.00000  1.0 1.0
   44    49   -53    42   3.62500 -1.0 2.0
   44    49    54    55   0.00000  1.0 1.0
   44    49    54    57   0.39850  1.0 1.0
   44    49    54    57   0.06450 -1.0 2.0
   44    49    54    57   0.32400  1.0 3.0
   44    49    54    59   0.04300 -1.0 2.0
   44    50    56    61   0.04300 -1.0 2.0
   44    50    56    78   0.04300 -1.0 2.0
   49    44    50    51   0.00000  1.0 1.0
   49    44    50    52   0.00000  1.0 1.0
   49    44    50    56   0.68100  1.0 1.0
   49    44    50    56   0.03350 -1.0 2.0
   49    44    50    56   0.36200  1.0 3.0
   49    54    57    58   0.43200  1.0 3.0
   49    54    57    63  -0.03700  1.0 1.0
   49    54    57    63   0.37200 -1.0 2.0
   49    54    57    63  -0.47300  1.0 3.0
   49    54    57    67  -0.03700  1.0 1.0
   49    54    57    67   0.37200 -1.0 2.0
   49    54    57    67  -0.47300  1.0 3.0
   49    54    59    60   0.31900  1.0 1.0
   49    54    59    60  -0.11800 -1.0 2.0
   49    54    59    60   0.38750  1.0 3.0
   53    42   -43    44   3.62500 -1.0 2.0
   53    42    43    45   3.62500 -1.0 2.0
   53    49    54    55   0.00000  1.0 1.0
   53    49    54    57  -1.00500  1.0 1.0
   53    49    54    57  -0.91300 -1.0 2.0
   53    49    54    57   0.11400  1.0 3.0
   53    49    54    59   0.04300 -1.0 2.0
   54    49    53    42   3.62500 -1.0 2.0
   54    57    63    64   0.15000  1.0 3.0
   54    57    63    65   0.15000  1.0 3.0
   54    57    63    66   0.15000  1.0 3.0
   54    57    67    68   0.15000  1.0 3.0
   54    57    67    69   0.15000  1.0 3.0
   54    57    67    70   0.15000  1.0 3.0
   55    54    57    58   0.15000  1.0 3.0
   55    54    57    63   0.15000  1.0 3.0
   55    54    57    67   0.15000  1.0 3.0
   55    54    59    60   0.19450  1.0 3.0
   57    54    59    60  -0.11600  1.0 1.0
   57    54    59    60  -0.09450 -1.0 2.0
   57    54    59    60   0.21250  1.0 3.0
   58    57    63    64   0.15000  1.0 3.0
   58    57    63    65   0.15000  1.0 3.0
   58    57    63    66   0.15000  1.0 3.0
   58    57    67    68   0.15000  1.0 3.0
   58    57    67    69   0.15000  1.0 3.0
   58    57    67    70   0.15000  1.0 3.0
   63    57    67    68   0.15000  1.0 3.0
   63    57    67    69   0.15000  1.0 3.0
   63    57    67    70   0.15000  1.0 3.0
   67    57    63    64   0.15000  1.0 3.0
   67    57    63    65   0.15000  1.0 3.0
   67    57    63    66   0.15000  1.0 3.0
   59    54    57    58   0.23400  1.0 3.0
   59    54    57    63   0.86500  1.0 1.0
   59    54    57    63  -0.17500 -1.0 2.0
   59    54    57    63   0.20800  1.0 3.0
   59    54    57    67   0.86500  1.0 1.0
   59    54    57    67  -0.17500 -1.0 2.0
   59    54    57    67   0.20800  1.0 3.0
   50    44    49    53   3.62500 -1.0 2.0
   50    44    49    54   3.62500 -1.0 2.0
   50    56    61    62   3.62500 -1.0 2.0
   50    56    61    71   3.62500 -1.0 2.0
   50    56    78    73   3.62500 -1.0 2.0
   50    56    78    79   3.62500 -1.0 2.0
   51    50    56    61   0.00000  1.0 1.0
   51    50    56    78   0.00000  1.0 1.0
   52    50    56    61   0.00000  1.0 1.0
   52    50    56    78   0.00000  1.0 1.0
   56    61    71    72   3.62500 -1.0 2.0
   56    78    79    80   1.00000 -1.0 2.0
   56    78    79    81   1.00000 -1.0 2.0
   61    56    78    73   3.62500 -1.0 2.0
   61    56    78    79   3.62500 -1.0 2.0
   61    71   -72    73   3.62500 -1.0 2.0
   61    71    72    74   3.62500 -1.0 2.0
   62    61    71    72   3.62500 -1.0 2.0
   71    72    73    78   3.62500 -1.0 2.0
   71    72    74    75   0.00000  1.0 1.0
   71    72    74    76   0.00000  1.0 1.0
   71    72    74    77   0.00000  1.0 1.0
   72    73   -78    56   3.62500 -1.0 2.0
   72    73    78    79   3.62500 -1.0 2.0
   73    72    74    75   0.00000  1.0 1.0
   73    72    74    76   0.00000  1.0 1.0
   73    72    74    77   0.00000  1.0 1.0
   73    78    79    80   1.75000 -1.0 2.0
   73    78    79    81   1.75000 -1.0 2.0
   78    56    61    62   3.62500 -1.0 2.0
   78    56   -61    71   3.62500 -1.0 2.0
   74    72    73    78   3.62500 -1.0 2.0
   45    43    44    49   3.62500 -1.0 2.0
   45    43    44    50   3.62500 -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
   37    30    36    38  10.50000 -1.0 2.0
   43    53    42    39   4.00000 -1.0 2.0
   45    44    43    42   4.00000 -1.0 2.0
   49    50    44    43   4.00000 -1.0 2.0
   54    53    49    44   4.00000 -1.0 2.0
   61    78    56    50   4.00000 -1.0 2.0
   71    62    61    56   1.10000 -1.0 2.0
   74    73    72    71   4.00000 -1.0 2.0
   73    79    78    56   4.00000 -1.0 2.0
   81    78    79    80   1.00000 -1.0 2.0
END
