* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    144    238     430
    1     0 S   NP   _N1_     1    28.81473    96.91285   -22.78442
    2     1 S   H    _HN1     2     1.02960    74.62739    -5.76725
    3     1 S   H    _H1_     3     1.02839    36.19012   147.12196
    4     1 S   H    _H2_     4     1.02776   103.78995  -111.34029
    5     1 S   CT   _CA1     5     1.50126   138.82329    97.80088
    6     5 S   HC   _HA1     6     1.09577   105.21543    87.74422
    7     5 S   CO3  _C1_     7     1.53783   112.38746   -32.42490
    8     7 S   O2Z  _O11     8     1.26361   114.99360   -43.51064
    9     7 S   O2Z  _O12     9     1.26240   114.92867   135.61807
   10     5 S   CT   _CB1    10     1.53108   107.43749  -154.36325
   11    10 S   HC   HB11    11     1.09825   109.30429   -50.83011
   12    10 S   HC   HB12    12     1.09816   110.43154    65.71738
   13    10 S   CT   _CG1    13     1.53018   112.67838  -171.93014
   14    13 S   HC   HG11    14     1.09597   110.46219   -64.55205
   15    13 S   HC   HG12    15     1.09657   109.93865    54.63726
   16    13 S   C    _CD1    16     1.51829   112.36562   174.97601
   17    16 S   O    _OE1    17     1.22752   123.32978    -0.90482
   18    16 S   N    _N2_    18     1.38576   111.68431   179.25244
   19    18 S   H    _HN2    19     1.01557   119.07189     3.79829
   20    18 S   CT1  _CA2    20     1.46036   122.92798   178.27739
   21    20 S   HC   _HA2    21     1.09625   109.96167    21.84011
   22    20 S   C    _C2_    22     1.52890   103.93021   -95.92930
   23    22 S   O    _O2_    23     1.23015   122.24001   -79.64655
   24    20 S   CT   _CB2    32     1.53306   111.78729   145.09406
   25    24 S   HC   HB21    33     1.09376   109.74164    56.35624
   26    24 S   HC   HB22    34     1.09360   109.19007   174.77280
   27    22 S   N    _N3_    24     1.38549   113.03047    94.87990
   28    27 S   H    _HN3    25     1.01538   119.62936     5.91361
   29    24 S   S    _SG2    35     1.83353   111.17745   -64.05472
   30    27 S   CT   _CA3    26     1.45536   123.04874  -175.92917
   31    30 S   HC   HA31    27     1.09535   109.14974    25.06661
   32    30 S   HC   HA32    28     1.09508   107.02911   141.80565
   33    29 S   CT   _C18    36     1.86216   101.56202  -171.74403
   34    33 S   OM   _O38    37     1.32141   108.32447   174.32290
   35    30 S   CO3  _C3_    29     1.52791   113.68894   -98.53280
   36    35 S   O2Z  _O31    30     1.26358   115.55985   -43.48161
   37    35 S   O2Z  _O32    31     1.26492   114.92857   137.49551
   38    33 S   CO4  _C17    38     1.54962   108.67964    64.53107
   39    38 S   O    _O33    39     1.23792   121.59090    25.84559
   40    33 S   CT   _C19    72     1.55077   111.61952   -63.14230
   41    40 S   HC   _H4_    73     1.09689   109.22966    46.63118
   42    38 S   CT   _C16    40     1.54766   118.43031  -159.26090
   43    42 S   HC   _H3_    41     1.10105   105.16345   -75.99419
   44    40 S   C    _C23    74     1.54141   113.88449   -70.85392
   45    44 S   O    _O37    75     1.22901   124.23024   -89.74067
   46    42 S   CT   _C15    42     1.54030   110.32274   168.13894
   47    46 S   HC   _H11    43     1.09703   110.81054   168.47614
   48    46 S   HC   _H12    44     1.09661   107.66803    52.05786
   49    44 S   N    _N4_    76     1.37769   113.71042    90.32260
   50    49 S   H    _H13    77     1.01340   122.48654    -2.46902
   51    49 S   H    _H14    78     1.01348   120.21740  -179.76179
   52    46 S   CA   _C14    45     1.51666   112.70451   -69.64302
   53    52 S   CA   _C13    46     1.40545   120.34323   -24.32329
   54    53 S   CA   _C12    47     1.40885   119.31995   173.68863
   55    53 S   CO4  _C22    66     1.50783   119.97678    -5.56581
   56    55 S   O    _O35    67     1.23212   119.36762  -174.56736
   57    54 S   CA   _C11    48     1.42355   122.28627     0.02798
   58    54 S   OH   _O39    64     1.37645   120.66709  -178.90086
   59    58 S   HO   _H15    65     0.97213   109.84639    -1.50246
   60    42 S   CT   _C21    68     1.52806   111.70364    44.24014
   61    60 S   OM   _O36    69     1.32176   110.98161  -173.97504
   62    57 S   CA   _C6_    49     1.41997   117.99179     3.46859
   63    60 S   CO4  _C20    70     1.53906   108.55529   -54.77064
   64    63 S   O    _O34    71     1.23357   123.43716  -123.18284
   65    62 S   CA   _C7_    50     1.41861   118.14594  -179.91607
   66    65 S   HA   _H8_    51     1.08755   121.07355   178.63398
   67    52 S   CA   _C5_    59     1.41967   120.09447   155.31534
   68    65 S   CA   _C8_    52     1.39310   122.67830    -0.06256
   69    68 S   HA   _H9_    53     1.08576   120.18563   179.59266
   70    67 S   CT   _C4_    60     1.51687   119.65257     6.31354
   71    70 S   HC   _H5_    61     1.09418   110.09586   -97.20534
   72    70 S   HC   _H6_    62     1.09366   112.47881    24.45834
   73    70 S   HC   _H7_    63     1.09466   111.21447   140.92807
   74    68 S   CA   _C9_    54     1.38033   119.50528     0.45757
   75    74 S   HA   _H10    55     1.08618   119.64979   179.15698
   76    57 S   CA   _C10    56     1.42584   124.35756  -175.78341
   77    76 S   OH   _O40    57     1.37444   120.34771     1.29905
   78    77 S   HO   _H16    58     0.97558   108.43437   155.38247
  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   9   5   4   3
  14   7   2   1   1  14   5  12   6  13   8   7   4  12   5   4
   3   1   1  14  13  12   8   3  13   3   1   3   2  12   1   1
   8   4   6   5   3   3   2   1   1   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    63    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    46    60    63    64    40    41    44    45    49  
   38    39    42    63    40    41    44  
   36    37  
   37  
    0  
   39    42    43    46    47    48    52    55    60    61    63    40    41    44  
   42    43    46    60    40  
   41    44    45    49    50    51    42    55    60    61    63    64  
   44    45    49    60    63    64  
   43    46    47    48    52    53    67    55    56    60    61    63    64  
   46    47    48    52    55    60    61    63  
   45    49    50    51    60    63    64  
   49    50    51    63  
   47    48    52    53    54    62    67    70    55    60    61    63  
   48    52    53    67    60  
   52    53    67    60  
   50    51    63  
   51  
    0  
   53    54    57    62    65    67    70    71    72    73    58    55    56    60  
   54    57    62    76    67    70    58    59    55    56    60    61    63  
   57    62    65    74    76    77    67    58    59    55    56    60  
   56    60    61    63    64    57    58    67  
   60    61    63  
   62    65    66    68    74    75    76    77    78    67    70    58    59  
   59    62    76  
    0  
   61    63    64  
   63    64  
   65    66    68    69    74    76    77    67    70    71    72    73  
   64  
    0  
   66    68    69    74    75    76    67    70  
   68    69    74    67  
   70    71    72    73    68    76  
   69    74    75    76    77  
   74    75    76  
   71    72    73  
   72    73  
   73  
    0  
   75    76    77    78  
   76    77  
   77    78  
   78  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   46   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   50   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   51   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   55   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   60   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   62   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   77   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.435000   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   570.000  1.307
   33    38   317.000  1.522
   33    40   268.000  1.529
   38    39   570.000  1.229
   38    42   317.000  1.522
   42    43   340.000  1.090
   42    46   268.000  1.529
   42    60   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    52   317.000  1.510
   52    53   469.000  1.400
   52    67   469.000  1.400
   53    54   469.000  1.400
   53    55   310.000  1.470
   54    57   469.000  1.400
   54    58   450.000  1.364
   57    62   469.000  1.400
   57    76   469.000  1.400
   62    65   469.000  1.400
   62    67   469.000  1.400
   65    66   367.000  1.080
   65    68   469.000  1.400
   68    69   367.000  1.080
   68    74   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   450.000  1.364
   77    78   553.000  0.945
   67    70   317.000  1.510
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   58    59   553.000  0.945
   55    56   570.000  1.229
   55    60   317.000  1.522
   60    61   570.000  1.307
   60    63   317.000  1.522
   63    64   570.000  1.229
   63    40   317.000  1.522
   40    41   340.000  1.090
   40    44   317.000  1.522
   44    45   570.000  1.229
   44    49   490.000  1.335
   49    50   434.000  1.010
   49    51   434.000  1.010
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    85.00000  114.68000
   29    33    38    75.00000  110.18000
   29    33    40    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    42    70.00000  116.00000
   33    40    63    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    44    63.00000  111.10000
   38    33    34    90.00000  108.74100
   38    42    43    35.00000  109.50000
   38    42    46    63.00000  111.10000
   38    42    60    63.00000  111.10000
   42    38    39    80.00000  120.40000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    52    70.00000  112.17500
   42    60    55    63.00000  111.10000
   42    60    61    50.00000  109.50000
   42    60    63    63.00000  111.10000
   46    42    43    37.50000  110.70000
   46    52    53    70.00000  120.00000
   46    52    67    70.00000  120.00000
   48    46    47    33.00000  107.80000
   52    46    47    35.00000  109.50000
   52    46    48    35.00000  109.50000
   52    53    54    63.00000  120.00000
   52    53    55    60.00000  119.52600
   52    67    62    63.00000  120.00000
   52    67    70    70.00000  120.00000
   53    54    57    63.00000  120.00000
   53    54    58    70.00000  120.00000
   53    55    56    75.00000  123.78400
   53    55    60    65.00000  115.47100
   54    57    62    63.00000  120.00000
   54    57    76    63.00000  120.00000
   54    58    59    35.00000  113.00000
   57    62    65    63.00000  120.00000
   57    62    67    63.00000  120.00000
   57    76    74    63.00000  120.00000
   57    76    77    70.00000  120.00000
   62    65    66    35.00000  120.00000
   62    65    68    63.00000  120.00000
   62    67    70    70.00000  120.00000
   65    68    69    35.00000  120.00000
   65    68    74    63.00000  120.00000
   68    65    66    35.00000  120.00000
   68    74    75    35.00000  120.00000
   68    74    76    63.00000  120.00000
   74    68    69    35.00000  120.00000
   74    76    77    70.00000  120.00000
   76    57    62    63.00000  120.00000
   76    74    75    35.00000  120.00000
   76    77    78    35.00000  113.00000
   67    52    53    63.00000  120.00000
   67    62    65    63.00000  120.00000
   67    70    71    35.00000  109.50000
   67    70    72    35.00000  109.50000
   67    70    73    35.00000  109.50000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   58    54    57    70.00000  120.00000
   55    53    54    60.00000  119.52600
   55    60    61    90.00000  108.74100
   55    60    63    75.00000  107.99600
   60    42    43    37.50000  110.70000
   60    42    46    58.35000  112.70000
   60    55    56    80.00000  120.40000
   60    63    64    80.00000  120.40000
   60    63    40    70.00000  116.00000
   63    60    61    90.00000  108.74100
   63    40    41    35.00000  109.50000
   63    40    44    70.00000  107.85200
   40    33    34    50.00000  109.50000
   40    33    38    63.00000  111.10000
   40    63    64    80.00000  120.40000
   40    44    45    80.00000  120.40000
   40    44    49    70.00000  116.60000
   44    40    41    35.00000  109.50000
   44    49    50    35.00000  119.80000
   44    49    51    35.00000  119.80000
   49    44    45    80.00000  122.90000
   51    49    50    35.00000  120.00000
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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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   0.30150 -1.0 2.0
   29    33    38    42   0.65300  1.0 1.0
   29    33    38    42  -0.03850 -1.0 2.0
   29    33    38    42   0.33900  1.0 3.0
   29    33    40    63   0.56750  1.0 1.0
   29    33    40    63  -0.07550 -1.0 2.0
   29    33    40    63   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    38    42    43   0.00000  1.0 1.0
   33    38    42    46   0.60050  1.0 1.0
   33    38    42    46   0.05600 -1.0 2.0
   33    38    42    46   0.26150  1.0 3.0
   33    38    42    60   0.60050  1.0 1.0
   33    38    42    60   0.05600 -1.0 2.0
   33    38    42    60   0.26150  1.0 3.0
   33    40    44    45   0.30150 -1.0 2.0
   33    40    44    49   1.39750  1.0 1.0
   33    40    44    49  -0.07950 -1.0 2.0
   33    40    44    49  -0.18750  1.0 3.0
   34    33    38    39   0.30150 -1.0 2.0
   34    33    38    42   0.55300  1.0 1.0
   34    33    38    42   1.25850 -1.0 2.0
   34    33    38    42  -0.23600  1.0 3.0
   34    33    40    63  -0.09450  1.0 1.0
   34    33    40    63  -1.12950 -1.0 2.0
   34    33    40    63   0.54000  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    44  -0.09450  1.0 1.0
   34    33    40    44  -1.12950 -1.0 2.0
   34    33    40    44   0.54000  1.0 3.0
   38    33    40    63   0.11950  1.0 1.0
   38    33    40    63   0.20300 -1.0 2.0
   38    33    40    63  -0.70800  1.0 3.0
   38    33    40    41  -0.11250  1.0 3.0
   38    33    40    44   0.11950  1.0 1.0
   38    33    40    44   0.20300 -1.0 2.0
   38    33    40    44  -0.70800  1.0 3.0
   38    42    46    47  -0.11250  1.0 3.0
   38    42    46    48  -0.11250  1.0 3.0
   38    42    46    52   0.56750  1.0 1.0
   38    42    46    52  -0.07550 -1.0 2.0
   38    42    46    52   0.20000  1.0 3.0
   38    42    60    55   0.11950  1.0 1.0
   38    42    60    55   0.20300 -1.0 2.0
   38    42    60    55  -0.70800  1.0 3.0
   38    42    60    61  -0.09450  1.0 1.0
   38    42    60    61  -1.12950 -1.0 2.0
   38    42    60    61   0.54000  1.0 3.0
   38    42   -60    63   0.11950  1.0 1.0
   38    42   -60    63   0.20300 -1.0 2.0
   38    42   -60    63  -0.70800  1.0 3.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    46   0.30150 -1.0 2.0
   39    38    42    60   0.30150 -1.0 2.0
   42    46    52    53   0.04150 -1.0 2.0
   42    46    52    67   0.04150 -1.0 2.0
   42    60    63    64   0.30150 -1.0 2.0
   42    60    63    40   0.60050  1.0 1.0
   42    60    63    40   0.05600 -1.0 2.0
   42    60    63    40   0.26150  1.0 3.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    52   0.43200  1.0 3.0
   43    42    60    55  -0.11250  1.0 3.0
   43    42    60    61   0.23400  1.0 3.0
   43    42    60    63  -0.11250  1.0 3.0
   46    42    60    55  -0.95700  1.0 1.0
   46    42    60    55  -0.18200 -1.0 2.0
   46    42    60    55   0.29450  1.0 3.0
   46    42    60    61   0.62750  1.0 1.0
   46    42    60    61  -0.30950 -1.0 2.0
   46    42    60    61   0.27300  1.0 3.0
   46    42    60    63  -0.95700  1.0 1.0
   46    42    60    63  -0.18200 -1.0 2.0
   46    42    60    63   0.29450  1.0 3.0
   46    52    53    54   3.62500 -1.0 2.0
   46    52   -53    55   3.62500 -1.0 2.0
   46    52    67    62   3.62500 -1.0 2.0
   46    52    67    70   3.62500 -1.0 2.0
   47    46    52    53   0.00000  1.0 1.0
   47    46    52    67   0.00000  1.0 1.0
   48    46    52    53   0.00000  1.0 1.0
   48    46    52    67   0.00000  1.0 1.0
   52    53    54    57   3.62500 -1.0 2.0
   52    53    54    58   3.62500 -1.0 2.0
   52    53    55    56   1.05000 -1.0 2.0
   52    53    55    60   2.26350  1.0 1.0
   52    53    55    60   0.76750 -1.0 2.0
   52    53    55    60   0.22500  1.0 3.0
   52    67    70    71   0.00000  1.0 1.0
   52    67    70    72   0.00000  1.0 1.0
   52    67    70    73   0.00000  1.0 1.0
   53    52    67    62   3.62500 -1.0 2.0
   53    52    67    70   3.62500 -1.0 2.0
   53    54   -57    62   3.62500 -1.0 2.0
   53    54    57    76   3.62500 -1.0 2.0
   53    54    58    59   0.84100 -1.0 2.0
   53    55   -60    42   0.05850 -1.0 2.0
   53    55   -60    42   0.17250  1.0 3.0
   53    55    60    61   0.65300  1.0 1.0
   53    55    60    61  -0.03850 -1.0 2.0
   53    55    60    61   0.33900  1.0 3.0
   53    55    60    63   0.65300  1.0 1.0
   53    55    60    63  -0.03850 -1.0 2.0
   53    55    60    63   0.33900  1.0 3.0
   54    53    55    56   1.05000 -1.0 2.0
   54    53    55    60   2.26350  1.0 1.0
   54    53    55    60   0.76750 -1.0 2.0
   54    53    55    60   0.22500  1.0 3.0
   54    57    62    65   3.62500 -1.0 2.0
   54    57    62    67   3.62500 -1.0 2.0
   54    57    76    74   3.62500 -1.0 2.0
   54    57    76    77   3.62500 -1.0 2.0
   57    54    58    59   0.84100 -1.0 2.0
   57    62    65    66   3.62500 -1.0 2.0
   57    62    65    68   3.62500 -1.0 2.0
   57    62   -67    52   3.62500 -1.0 2.0
   57    62    67    70   3.62500 -1.0 2.0
   57    76    77    78   0.84100 -1.0 2.0
   62    57    76    74   3.62500 -1.0 2.0
   62    57    76    77   3.62500 -1.0 2.0
   62    65    68    69   3.62500 -1.0 2.0
   62    65   -68    74   3.62500 -1.0 2.0
   62    67    70    71   0.00000  1.0 1.0
   62    67    70    72   0.00000  1.0 1.0
   62    67    70    73   0.00000  1.0 1.0
   65    62    67    52   3.62500 -1.0 2.0
   65    62    67    70   3.62500 -1.0 2.0
   65    68    74    75   3.62500 -1.0 2.0
   65    68    74    76   3.62500 -1.0 2.0
   66    65    68    69   3.62500 -1.0 2.0
   66    65    68    74   3.62500 -1.0 2.0
   68    74   -76    57   3.62500 -1.0 2.0
   68    74    76    77   3.62500 -1.0 2.0
   69    68    74    75   3.62500 -1.0 2.0
   69    68    74    76   3.62500 -1.0 2.0
   74    76    77    78   0.84100 -1.0 2.0
   75    74    76    57   3.62500 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   76    57   -62    65   3.62500 -1.0 2.0
   76    57    62    67   3.62500 -1.0 2.0
   67    52   -53    54   3.62500 -1.0 2.0
   67    52    53    55   3.62500 -1.0 2.0
   67    62    65    66   3.62500 -1.0 2.0
   67    62    65    68   3.62500 -1.0 2.0
   58    54    57    62   3.62500 -1.0 2.0
   58    54    57    76   3.62500 -1.0 2.0
   55    53    54    57   3.62500 -1.0 2.0
   55    53    54    58   3.62500 -1.0 2.0
   55    60    63    64   0.30150 -1.0 2.0
   55    60    63    40   0.65300  1.0 1.0
   55    60    63    40  -0.03850 -1.0 2.0
   55    60    63    40   0.33900  1.0 3.0
   56    55    60    42   0.30150 -1.0 2.0
   56    55    60    61   0.30150 -1.0 2.0
   56    55    60    63   0.30150 -1.0 2.0
   60    42    46    47   0.15000  1.0 3.0
   60    42    46    48   0.15000  1.0 3.0
   60    42   -46    52  -0.03700  1.0 1.0
   60    42   -46    52   0.37200 -1.0 2.0
   60    42   -46    52  -0.47300  1.0 3.0
   60    63   -40    33   0.60050  1.0 1.0
   60    63   -40    33   0.05600 -1.0 2.0
   60    63   -40    33   0.26150  1.0 3.0
   60    63    40    41   0.00000  1.0 1.0
   60    63    40    44   0.65300  1.0 1.0
   60    63    40    44  -0.03850 -1.0 2.0
   60    63    40    44   0.33900  1.0 3.0
   61    60    63    64   0.30150 -1.0 2.0
   61    60    63    40   0.55300  1.0 1.0
   61    60    63    40   1.25850 -1.0 2.0
   61    60    63    40  -0.23600  1.0 3.0
   63    40    44    45   0.30150 -1.0 2.0
   63    40    44    49   0.00000  1.0 1.0
   64    63    40    33   0.30150 -1.0 2.0
   64    63    40    41   0.00000  1.0 1.0
   64    63    40    44   0.30150 -1.0 2.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33   -38    42   0.60050  1.0 1.0
   40    33   -38    42   0.05600 -1.0 2.0
   40    33   -38    42   0.26150  1.0 3.0
   40    44    49    50   2.45000 -1.0 2.0
   40    44    49    51   2.45000 -1.0 2.0
   41    40    44    45   0.00000  1.0 1.0
   41    40    44    49   0.00000  1.0 1.0
   45    44    49    50   2.45000 -1.0 2.0
   45    44    49    51   2.45000 -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
   33    42    38    39  10.50000 -1.0 2.0
   53    67    52    46   4.00000 -1.0 2.0
   54    55    53    52   4.00000 -1.0 2.0
   57    58    54    53   4.00000 -1.0 2.0
   62    76    57    54   4.00000 -1.0 2.0
   65    67    62    57   4.00000 -1.0 2.0
   68    66    65    62   1.10000 -1.0 2.0
   74    69    68    65   1.10000 -1.0 2.0
   76    75    74    68   1.10000 -1.0 2.0
   74    77    76    57   4.00000 -1.0 2.0
   62    70    67    52   4.00000 -1.0 2.0
   53    60    55    56  10.50000 -1.0 2.0
   60    40    63    64  10.50000 -1.0 2.0
   40    49    44    45  10.50000 -1.0 2.0
   51    44    49    50   1.00000 -1.0 2.0
END
