* LIGAND DATABASE FILE (OPLS2005)
*
001      81    84    148    246     445
    1     0 S   NP   _N1_     1    29.36914    99.85063   -22.86941
    2     1 S   H    _HN1     2     1.02954    65.21989   -29.90282
    3     1 S   H    _H1_     3     1.02835    41.95215   146.91837
    4     1 S   H    _H2_     4     1.02777   118.74046  -128.04112
    5     1 S   CT   _CA1     5     1.50149   127.47020    67.58495
    6     5 S   HC   _HA1     6     1.09576   105.20345   103.98040
    7     5 S   CO3  _C1_     7     1.53800   112.13740   -16.16191
    8     7 S   O2Z  _O11     8     1.26369   115.00662   -48.11238
    9     7 S   O2Z  _O12     9     1.26220   114.93701   130.67131
   10     5 S   CT   _CB1    10     1.53079   107.37283  -138.20087
   11    10 S   HC   HB11    11     1.09831   109.38703   -50.11905
   12    10 S   HC   HB12    12     1.09811   110.46067    66.45073
   13    10 S   CT   _CG1    13     1.53004   112.62223  -171.11239
   14    13 S   HC   HG11    14     1.09604   110.54608   -63.84475
   15    13 S   HC   HG12    15     1.09657   109.90693    55.34421
   16    13 S   C    _CD1    16     1.51852   112.18703   175.75605
   17    16 S   O    _OE1    17     1.22776   123.33030     2.50507
   18    16 S   N    _N2_    18     1.38403   111.74948  -177.61986
   19    18 S   H    _HN2    19     1.01778   119.23982     2.41281
   20    18 S   CT1  _CA2    20     1.45829   123.03609   179.74283
   21    20 S   HC   _HA2    21     1.09735   108.74190    29.30548
   22    20 S   C    _C2_    22     1.52974   107.62097   -88.09976
   23    22 S   O    _O2_    23     1.22925   123.05631   -27.28172
   24    20 S   CT   _CB2    32     1.53243   111.71554   152.46119
   25    24 S   HC   HB21    33     1.09173   108.81753    53.23835
   26    24 S   HC   HB22    34     1.09427   110.41009   171.82577
   27    22 S   N    _N3_    24     1.38660   112.22114   155.51386
   28    27 S   H    _HN3    25     1.01518   119.59331     0.66998
   29    24 S   S    _SG2    35     1.82505   110.66942   -67.98806
   30    27 S   CT   _CA3    26     1.45464   123.20781   175.31032
   31    30 S   HC   HA31    27     1.09509   109.36892    22.75554
   32    30 S   HC   HA32    28     1.09486   107.13722   139.96627
   33    29 S   CT   _C20    36     1.87784   102.31693   159.76801
   34    33 S   OM   _O38    37     1.32695   105.12644  -176.46365
   35    30 S   CO3  _C3_    29     1.52965   112.98702  -100.61964
   36    35 S   O2Z  _O31    30     1.26419   115.49609   -40.23886
   37    35 S   O2Z  _O32    31     1.26349   114.96235   140.44368
   38    33 S   CM   _C21    38     1.53573   111.59141   -62.27206
   39    33 S   CT   _C19    70     1.59302   108.95108    65.18623
   40    39 S   HC   _H4_    71     1.09690   109.05462    -9.91423
   41    38 S   CMA  _C23    39     1.36303   125.12815   147.64208
   42    41 S   OM   _O37    40     1.26555   130.76262   176.87162
   43    39 S   NT   _N5_    72     1.48213   114.51830   105.49460
   44    43 S   H    _H16    73     1.01923   108.18903   -41.38502
   45    43 S   H    _H17    74     1.01756   109.68012  -158.28440
   46    38 S   C    _C22    77     1.50443   119.41854   -35.19801
   47    46 S   O    _O36    78     1.22725   122.50921   100.62207
   48    41 S   CT   _C16    41     1.54230   116.36463    -1.60328
   49    46 S   N    _N4_    79     1.37323   113.10241   -79.76747
   50    49 S   H    _H14    80     1.01492   121.27181     1.98031
   51    49 S   H    _H15    81     1.01253   120.86482  -179.71954
   52    48 S   CO4  _C15    42     1.54454   116.24823  -162.46762
   53    52 S   O    _O35    43     1.23144   121.61409   -96.67375
   54    48 S   OH   _O39    75     1.43642   108.16968    81.25972
   55    54 S   HO   _H18    76     0.97299   106.69232    49.69404
   56    52 S   CA   _C7_    44     1.49882   118.88022    82.96060
   57    56 S   CA   _C6_    45     1.39533   119.67717    13.00440
   58    57 S   CA   _C5_    46     1.42705   119.35137  -177.65565
   59    57 S   CT   _C18    65     1.51566   120.34268     0.14804
   60    59 S   HC   _H12    66     1.09736   109.05806   139.65576
   61    59 S   HC   _H13    67     1.09152   107.03692  -103.43485
   62    58 S   CA   _C10    47     1.45256   121.78503    -8.20475
   63    58 S   CT   _C4_    61     1.51780   117.36713   170.29745
   64    63 S   HC   _H5_    62     1.09378   110.60392  -136.38529
   65    63 S   HC   _H6_    63     1.09334   113.03934   -21.41024
   66    63 S   HC   _H7_    64     1.09339   110.51240    99.52862
   67    48 S   CT   _C17    68     1.53229   112.44413   -38.90488
   68    67 S   HC   _H3_    69     1.10209   108.41515   176.45050
   69    62 S   CA   _C9_    48     1.42966   117.14242     9.43286
   70    69 S   CA   _C14    49     1.42988   118.72487   175.45136
   71    56 S   CA   _C8_    58     1.40563   120.98347  -166.69967
   72    70 S   CA   _C13    50     1.39035   123.01540     1.76647
   73    72 S   HA   _H9_    51     1.08589   121.45534   179.83214
   74    70 S   OH   _O33    56     1.37613   120.46623  -178.41242
   75    74 S   HO   _H10    57     0.97151   109.68789   179.78971
   76    71 S   OH   _O34    59     1.37875   119.80638     1.99968
   77    76 S   HO   _H11    60     0.97248   109.98935     0.32082
   78    72 S   CA   _C12    52     1.37623   119.00630     1.49567
   79    78 S   HA   _H8_    53     1.08780   118.79660   177.35625
   80    62 S   CA   _C11    54     1.44476   126.80883  -170.53456
   81    80 S   Cl   Cl1_    55     1.73994   124.38363     9.18787
  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
  16   7   2   1   1  14  15   7  13   5   6   2   1   5   3  12
   2   1   1  12   5   5   1  13  15  15   7   3   2  14   5   2
   1   1   1   1  11   9   5   7   4   2   1   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    67    39    40    43    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    48    59    67    68    39    40    43    44    45    46    47    49  
   38    41    67    39    40    43    46  
   36    37  
   37  
    0  
   41    42    48    52    67    39    40    43    54    46    47    49    50    51  
   40    43    44    45    54    46    41    48    52    57    59    60    61    67    68  
   43    44    45    48    59    67    68  
   42    48    52    53    56    59    67    68    54    55    46    47    49  
   48    52    67    54    46  
   44    45    48    59    67    68  
   45    67  
   67  
   47    49    50    51    48  
   49    50    51  
   52    53    56    57    71    59    60    61    67    68    54    55  
   50    51  
   51  
    0  
   53    56    57    58    69    71    76    59    67    68    54    55  
   56    57    71    67    54  
   55    56    59    67    68  
   67  
   57    58    62    69    70    71    76    77    63    59    60    61    67  
   58    62    69    80    71    76    63    64    65    66    59    60    61    67    68  
   62    69    70    78    80    81    71    63    64    65    66    59    60    61    67  
   60    61    67    68    62    63    71  
   61    67    68  
   67    68  
   69    70    72    78    79    80    81    74    71    76    63    64    65    66  
   64    65    66    69    80  
   65    66  
   66  
    0  
   68  
    0  
   70    72    73    78    80    81    74    75    71    76    77  
   72    73    78    79    80    74    75    71    76  
   76    77    72    74    80  
   73    78    79    80    81    74    75  
   78    79    80    74  
   75    78  
    0  
   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  -0.175000   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   3.5500   0.0760  -0.657900   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660   0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.3000   0.1700  -0.900000   1.8650   1.6500   0.051222218  -2.220205820
   44   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   45   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   48   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5000   0.0660  -0.005000   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   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5000   0.0660  -0.065000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   80   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   81   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
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  1.510
   33    39   268.000  1.529
   38    41   465.000  1.376
   38    46   410.000  1.444
   41    42   745.000  1.250
   41    48   270.000  1.512
   48    52   317.000  1.522
   48    67   268.000  1.529
   48    54   320.000  1.410
   52    53   570.000  1.229
   52    56   310.000  1.470
   56    57   469.000  1.400
   56    71   469.000  1.400
   57    58   469.000  1.400
   57    59   317.000  1.510
   58    62   469.000  1.400
   58    63   317.000  1.510
   62    69   469.000  1.400
   62    80   469.000  1.400
   69    70   469.000  1.400
   69    71   469.000  1.400
   70    72   469.000  1.400
   70    74   450.000  1.364
   72    73   367.000  1.080
   72    78   469.000  1.400
   78    79   367.000  1.080
   78    80   469.000  1.400
   80    81   300.000  1.725
   74    75   553.000  0.945
   71    76   450.000  1.364
   76    77   553.000  0.945
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    67   268.000  1.529
   67    68   340.000  1.090
   67    39   268.000  1.529
   39    40   340.000  1.090
   39    43   382.000  1.448
   43    44   434.000  1.010
   43    45   434.000  1.010
   54    55   553.000  0.945
   46    47   570.000  1.229
   46    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  112.20000
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  124.00000
   33    38    46    70.00000  119.70000
   33    39    67    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    43    56.20000  109.47000
   38    33    34    85.00000  110.90400
   38    41    42    65.00000  137.10300
   38    41    48    65.00000  122.18000
   38    46    47    80.00000  125.30000
   38    46    49    80.00000  111.56200
   41    48    52    70.00000  109.06800
   41    48    67    70.00000  112.02700
   41    48    54    90.00000  110.39200
   48    41    42    85.00000  112.85300
   48    52    53    80.00000  120.40000
   48    52    56    65.00000  115.47100
   48    67    59    58.35000  112.70000
   48    67    68    37.50000  110.70000
   48    67    39    58.35000  112.70000
   48    54    55    55.00000  108.50000
   52    56    57    60.00000  119.52600
   52    56    71    60.00000  119.52600
   56    52    53    75.00000  123.78400
   56    57    58    63.00000  120.00000
   56    57    59    70.00000  120.00000
   56    71    69    63.00000  120.00000
   56    71    76    70.00000  120.00000
   57    58    62    63.00000  120.00000
   57    58    63    70.00000  120.00000
   57    59    60    35.00000  109.50000
   57    59    61    35.00000  109.50000
   57    59    67    70.00000  112.17500
   58    62    69    63.00000  120.00000
   58    62    80    63.00000  120.00000
   58    63    64    35.00000  109.50000
   58    63    65    35.00000  109.50000
   58    63    66    35.00000  109.50000
   62    69    70    63.00000  120.00000
   62    69    71    63.00000  120.00000
   62    80    78    63.00000  120.00000
   62    80    81    75.00000  120.00000
   69    70    72    63.00000  120.00000
   69    70    74    70.00000  120.00000
   69    71    76    70.00000  120.00000
   70    72    73    35.00000  120.00000
   70    72    78    63.00000  120.00000
   70    74    75    35.00000  113.00000
   72    78    79    35.00000  120.00000
   72    78    80    63.00000  120.00000
   78    72    73    35.00000  120.00000
   78    80    81    75.00000  120.00000
   80    62    69    63.00000  120.00000
   80    78    79    35.00000  120.00000
   74    70    72    70.00000  120.00000
   71    56    57    63.00000  120.00000
   71    69    70    63.00000  120.00000
   71    76    77    35.00000  113.00000
   63    58    62    70.00000  120.00000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   59    57    58    70.00000  120.00000
   59    67    68    37.50000  110.70000
   59    67    39    58.35000  112.70000
   61    59    60    33.00000  107.80000
   67    48    52    63.00000  111.10000
   67    59    60    37.50000  110.70000
   67    59    61    37.50000  110.70000
   67    39    40    37.50000  110.70000
   67    39    43    56.20000  109.47000
   39    33    34    50.00000  109.50000
   39    33    38    70.00000  112.02700
   39    67    68    37.50000  110.70000
   39    43    44    35.00000  109.50000
   39    43    45    35.00000  109.50000
   43    39    40    35.00000  109.50000
   45    43    44    43.60000  106.40000
   54    48    52    90.00000  109.61100
   54    48    67    50.00000  109.50000
   46    38    41    60.00000  120.04000
   46    49    50    35.00000  119.80000
   46    49    51    35.00000  119.80000
   49    46    47    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  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    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    38    46   0.09700  1.0 1.0
   29    33    38    46   0.15600 -1.0 2.0
   29    33    38    46  -0.50800  1.0 3.0
   29    33    39    67   0.44750  1.0 1.0
   29    33    39    67  -0.17800 -1.0 2.0
   29    33    39    67   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    48   7.00000 -1.0 2.0
   33    38    46    47  -0.64400  1.0 1.0
   33    38    46    47   0.26850 -1.0 2.0
   33    38    46    49   1.59650  1.0 1.0
   33    38    46    49   0.42750 -1.0 2.0
   33    38    46    49  -0.48350  1.0 3.0
   33    39    43    44  -0.05950  1.0 1.0
   33    39    43    44   0.08850 -1.0 2.0
   33    39    43    44   0.11750  1.0 3.0
   33    39    43    45  -0.05950  1.0 1.0
   33    39    43    45   0.08850 -1.0 2.0
   33    39    43    45   0.11750  1.0 3.0
   34    33    38    41   0.39000  1.0 1.0
   34    33    38    41  -0.05800 -1.0 2.0
   34    33    38    41  -0.55150  1.0 3.0
   34    33    38    46   0.09700  1.0 1.0
   34    33    38    46   0.15600 -1.0 2.0
   34    33    38    46  -0.50800  1.0 3.0
   34    33    39    67   0.62750  1.0 1.0
   34    33    39    67  -0.30950 -1.0 2.0
   34    33    39    67   0.27300  1.0 3.0
   34    33    39    40   0.23400  1.0 3.0
   34    33    39    43   1.74050  1.0 1.0
   38    33    39    67   0.34400  1.0 1.0
   38    33    39    67   0.09450 -1.0 2.0
   38    33    39    67   0.11100  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    43   0.59950  1.0 1.0
   38    33    39    43  -0.21400 -1.0 2.0
   38    33    39    43   0.56200  1.0 3.0
   38    41    48    52  -0.51250  1.0 1.0
   38    41    48    52  -0.88800 -1.0 2.0
   38    41    48    52   0.08850  1.0 3.0
   38    41   -48    67   0.09850  1.0 1.0
   38    41   -48    67   0.15250 -1.0 2.0
   38    41   -48    67  -0.50650  1.0 3.0
   38    41    48    54   0.67800  1.0 1.0
   38    41    48    54   0.47050 -1.0 2.0
   38    41    48    54  -0.62500  1.0 3.0
   38    46    49    50   2.56700 -1.0 2.0
   38    46    49    51   2.56700 -1.0 2.0
   41    38    46    47   1.00000 -1.0 2.0
   41    38    46    49   0.49500  1.0 1.0
   41    38    46    49   1.31600 -1.0 2.0
   41    38    46    49  -0.02300  1.0 3.0
   41    48    52    53   0.30150 -1.0 2.0
   41    48    52    56   0.65300  1.0 1.0
   41    48    52    56  -0.03850 -1.0 2.0
   41    48    52    56   0.33900  1.0 3.0
   41    48    67    59   0.34400  1.0 1.0
   41    48    67    59   0.09450 -1.0 2.0
   41    48    67    59   0.11100  1.0 3.0
   41    48    67    68   0.15000  1.0 3.0
   41    48    67    39   0.34400  1.0 1.0
   41    48    67    39   0.09450 -1.0 2.0
   41    48    67    39   0.11100  1.0 3.0
   41    48    54    55  -0.07800  1.0 1.0
   41    48    54    55  -0.21500 -1.0 2.0
   41    48    54    55  -0.03150  1.0 3.0
   42    41    48    52   0.09700  1.0 1.0
   42    41    48    52   0.15600 -1.0 2.0
   42    41    48    52  -0.50800  1.0 3.0
   42    41    48    67   0.09700  1.0 1.0
   42    41    48    67   0.15600 -1.0 2.0
   42    41    48    67  -0.50800  1.0 3.0
   42    41    48    54   0.09700  1.0 1.0
   42    41    48    54   0.15600 -1.0 2.0
   42    41    48    54  -0.50800  1.0 3.0
   48    52    56    57   2.26350  1.0 1.0
   48    52    56    57   0.76750 -1.0 2.0
   48    52    56    57   0.22500  1.0 3.0
   48    52    56    71   2.26350  1.0 1.0
   48    52    56    71   0.76750 -1.0 2.0
   48    52    56    71   0.22500  1.0 3.0
   48    67   -39    33   0.56750  1.0 1.0
   48    67   -39    33  -0.07550 -1.0 2.0
   48    67   -39    33   0.20000  1.0 3.0
   48    67    39    40   0.15000  1.0 3.0
   48    67    39    43   1.85550  1.0 1.0
   48    67    39    43  -0.84100 -1.0 2.0
   52    48    67    59  -0.95700  1.0 1.0
   52    48    67    59  -0.18200 -1.0 2.0
   52    48    67    59   0.29450  1.0 3.0
   52    48    67    68  -0.11250  1.0 3.0
   52    48    67    39  -0.95700  1.0 1.0
   52    48    67    39  -0.18200 -1.0 2.0
   52    48    67    39   0.29450  1.0 3.0
   52    48    54    55   0.91850  1.0 1.0
   52    48    54    55   0.57950  1.0 3.0
   52    56    57    58   3.62500 -1.0 2.0
   52    56   -57    59   3.62500 -1.0 2.0
   52    56    71    69   3.62500 -1.0 2.0
   52    56    71    76   3.62500 -1.0 2.0
   53    52    56    57   1.05000 -1.0 2.0
   53    52    56    71   1.05000 -1.0 2.0
   56    57    58    62   3.62500 -1.0 2.0
   56    57    58    63   3.62500 -1.0 2.0
   56    57    59    60   0.00000  1.0 1.0
   56    57    59    61   0.00000  1.0 1.0
   56    57    59    67   0.04150 -1.0 2.0
   56    71    76    77   0.84100 -1.0 2.0
   57    56    71    69   3.62500 -1.0 2.0
   57    56    71    76   3.62500 -1.0 2.0
   57    58   -62    69   3.62500 -1.0 2.0
   57    58    62    80   3.62500 -1.0 2.0
   57    58    63    64   0.00000  1.0 1.0
   57    58    63    65   0.00000  1.0 1.0
   57    58    63    66   0.00000  1.0 1.0
   57    59   -67    48  -0.03700  1.0 1.0
   57    59   -67    48   0.37200 -1.0 2.0
   57    59   -67    48  -0.47300  1.0 3.0
   57    59    67    68   0.43200  1.0 3.0
   57    59    67    39  -0.03700  1.0 1.0
   57    59    67    39   0.37200 -1.0 2.0
   57    59    67    39  -0.47300  1.0 3.0
   58    57    59    60   0.00000  1.0 1.0
   58    57    59    61   0.00000  1.0 1.0
   58    57    59    67   0.04150 -1.0 2.0
   58    62    69    70   3.62500 -1.0 2.0
   58    62    69    71   3.62500 -1.0 2.0
   58    62    80    78   3.62500 -1.0 2.0
   58    62    80    81   3.62500 -1.0 2.0
   62    58    63    64   0.00000  1.0 1.0
   62    58    63    65   0.00000  1.0 1.0
   62    58    63    66   0.00000  1.0 1.0
   62    69    70    72   3.62500 -1.0 2.0
   62    69    70    74   3.62500 -1.0 2.0
   62    69   -71    56   3.62500 -1.0 2.0
   62    69    71    76   3.62500 -1.0 2.0
   69    62    80    78   3.62500 -1.0 2.0
   69    62    80    81   3.62500 -1.0 2.0
   69    70    72    73   3.62500 -1.0 2.0
   69    70   -72    78   3.62500 -1.0 2.0
   69    70    74    75   0.84100 -1.0 2.0
   69    71    76    77   0.84100 -1.0 2.0
   70    69    71    56   3.62500 -1.0 2.0
   70    69    71    76   3.62500 -1.0 2.0
   70    72    78    79   3.62500 -1.0 2.0
   70    72    78    80   3.62500 -1.0 2.0
   72    70    74    75   0.84100 -1.0 2.0
   72    78   -80    62   3.62500 -1.0 2.0
   72    78    80    81   3.62500 -1.0 2.0
   73    72    78    79   3.62500 -1.0 2.0
   73    72    78    80   3.62500 -1.0 2.0
   79    78    80    62   3.62500 -1.0 2.0
   79    78    80    81   3.62500 -1.0 2.0
   80    62   -69    70   3.62500 -1.0 2.0
   80    62    69    71   3.62500 -1.0 2.0
   74    70    72    73   3.62500 -1.0 2.0
   74    70    72    78   3.62500 -1.0 2.0
   71    56   -57    58   3.62500 -1.0 2.0
   71    56    57    59   3.62500 -1.0 2.0
   71    69    70    72   3.62500 -1.0 2.0
   71    69    70    74   3.62500 -1.0 2.0
   63    58    62    69   3.62500 -1.0 2.0
   63    58    62    80   3.62500 -1.0 2.0
   59    57    58    62   3.62500 -1.0 2.0
   59    57    58    63   3.62500 -1.0 2.0
   59    67    39    33   0.56750  1.0 1.0
   59    67    39    33  -0.07550 -1.0 2.0
   59    67    39    33   0.20000  1.0 3.0
   59    67    39    40   0.15000  1.0 3.0
   59    67    39    43   1.85550  1.0 1.0
   59    67    39    43  -0.84100 -1.0 2.0
   60    59    67    48   0.15000  1.0 3.0
   60    59    67    68   0.15000  1.0 3.0
   60    59    67    39   0.15000  1.0 3.0
   61    59    67    48   0.15000  1.0 3.0
   61    59    67    68   0.15000  1.0 3.0
   61    59    67    39   0.15000  1.0 3.0
   67    48    52    53   0.30150 -1.0 2.0
   67    48   -52    56   0.05850 -1.0 2.0
   67    48   -52    56   0.17250  1.0 3.0
   67    48    54    55  -0.11600  1.0 1.0
   67    48    54    55  -0.09450 -1.0 2.0
   67    48    54    55   0.21250  1.0 3.0
   67    39    43    44  -0.05950  1.0 1.0
   67    39    43    44   0.08850 -1.0 2.0
   67    39    43    44   0.11750  1.0 3.0
   67    39    43    45  -0.05950  1.0 1.0
   67    39    43    45   0.08850 -1.0 2.0
   67    39    43    45   0.11750  1.0 3.0
   68    67    39    33   0.15000  1.0 3.0
   68    67    39    40   0.15000  1.0 3.0
   68    67    39    43   0.15000  1.0 3.0
   39    33   -38    41   0.09850  1.0 1.0
   39    33   -38    41   0.15250 -1.0 2.0
   39    33   -38    41  -0.50650  1.0 3.0
   39    33    38    46   0.09700  1.0 1.0
   39    33    38    46   0.15600 -1.0 2.0
   39    33    38    46  -0.50800  1.0 3.0
   40    39    43    44   0.20000  1.0 3.0
   40    39    43    45   0.20000  1.0 3.0
   54    48    52    53   0.30150 -1.0 2.0
   54    48    52    56   0.65300  1.0 1.0
   54    48    52    56  -0.03850 -1.0 2.0
   54    48    52    56   0.33900  1.0 3.0
   54    48    67    59   0.86500  1.0 1.0
   54    48    67    59  -0.17500 -1.0 2.0
   54    48    67    59   0.20800  1.0 3.0
   54    48    67    68   0.23400  1.0 3.0
   54    48    67    39   0.86500  1.0 1.0
   54    48    67    39  -0.17500 -1.0 2.0
   54    48    67    39   0.20800  1.0 3.0
   46    38    41    42   7.00000 -1.0 2.0
   46    38    41    48   7.00000 -1.0 2.0
   47    46    49    50   2.45000 -1.0 2.0
   47    46    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    46    38    41   1.10000 -1.0 2.0
   48    42    41    38   1.10000 -1.0 2.0
   48    56    52    53  10.50000 -1.0 2.0
   57    71    56    52   4.00000 -1.0 2.0
   58    59    57    56   4.00000 -1.0 2.0
   62    63    58    57   4.00000 -1.0 2.0
   69    80    62    58   4.00000 -1.0 2.0
   70    71    69    62   4.00000 -1.0 2.0
   72    74    70    69   4.00000 -1.0 2.0
   78    73    72    70   1.10000 -1.0 2.0
   80    79    78    72   1.10000 -1.0 2.0
   78    81    80    62   4.00000 -1.0 2.0
   69    76    71    56   4.00000 -1.0 2.0
   38    49    46    47  10.50000 -1.0 2.0
   51    46    49    50   1.00000 -1.0 2.0
END
