* LIGAND DATABASE FILE (OPLS2005)
*
001      99   106    196    351     602
    1     0 S   NP   _N1_     1    29.22816    96.25463   -18.45538
    2     1 S   H    _HN1     2     1.02955    96.16584    35.30831
    3     1 S   H    _H1_     3     1.02831    50.77902   142.28537
    4     1 S   H    _H2_     4     1.02776    64.69802   -72.11419
    5     1 S   CT   _CA1     5     1.50197   152.16417  -162.23666
    6     5 S   HC   _HA1     6     1.09564   105.18996    16.28715
    7     5 S   CO3  _C1_     7     1.54131   112.24254  -103.79443
    8     7 S   O2Z  _O11     8     1.26412   115.06411   -39.73326
    9     7 S   O2Z  _O12     9     1.26276   115.11709   139.07053
   10     5 S   CT   _CB1    10     1.53184   107.32903   134.30254
   11    10 S   HC   HB11    11     1.09808   109.92101   -46.20559
   12    10 S   HC   HB12    12     1.09789   110.12719    70.42141
   13    10 S   CT   _CG1    13     1.52973   112.45683  -167.14560
   14    13 S   HC   HG11    14     1.09147   110.10484   -51.00401
   15    13 S   HC   HG12    15     1.09608   110.25478    67.29770
   16    13 S   C    _CD1    16     1.51863   111.87953  -172.84623
   17    16 S   O    _OE1    17     1.22814   122.49641   -32.20247
   18    16 S   N    _N2_    18     1.38573   112.39922   149.68924
   19    18 S   H    _HN2    19     1.01666   119.08374    -1.78323
   20    18 S   CT1  _CA2    20     1.46241   123.79302   179.93147
   21    20 S   HC   _HA2    21     1.09742   109.21260     2.39996
   22    20 S   C    _C2_    22     1.53562   108.70501  -113.27681
   23    22 S   O    _O2_    23     1.23061   122.17885  -145.91350
   24    20 S   CT   _CB2    32     1.53881   111.79132   124.18488
   25    24 S   HC   HB21    33     1.09228   109.51296    59.72626
   26    24 S   HC   HB22    34     1.09479   108.97137   178.40210
   27    22 S   N    _N3_    24     1.38501   113.70614    41.50151
   28    27 S   H    _HN3    25     1.01472   118.98425    -0.27554
   29    24 S   S    _SG2    35     1.83204   110.77463   -61.83599
   30    27 S   CT   _CA3    26     1.45434   123.39257   175.80922
   31    30 S   HC   HA31    27     1.09528   109.21449    25.35114
   32    30 S   HC   HA32    28     1.09501   107.12289   142.26143
   33    29 S   CT   _C33    36     1.86802   105.23944  -179.89165
   34    33 S   OM   _O42    37     1.32419   111.70382    19.75531
   35    30 S   CO3  _C3_    29     1.52892   113.13210   -98.16888
   36    35 S   O2Z  _O31    30     1.26405   115.38958   -47.39498
   37    35 S   O2Z  _O32    31     1.26363   115.03591   133.64888
   38    33 S   CA   _C27    38     1.55156   105.08786   136.06770
   39    38 S   CA   _C26    39     1.41144   122.05304   108.97147
   40    39 S   CA   _C31    40     1.42092   120.00848  -176.69761
   41    39 S   CO4  _C25    53     1.49236   121.08076     4.14931
   42    41 S   O    _O39    54     1.23055   118.07229   164.58482
   43    40 S   CA   _C30    41     1.40209   121.96918     0.09279
   44    40 S   OH   _O40    51     1.37568   122.76734   179.25717
   45    44 S   HO   _H18    52     0.97288   109.20588     4.59525
   46    41 S   CT   _C19    55     1.53353   120.24283   -17.34004
   47    43 S   CA   _C29    42     1.38911   118.45468    -0.25944
   48    47 S   HA   _H17    43     1.08741   120.42809  -179.90721
   49    43 S   CT   _C32    47     1.50184   121.49615   179.72164
   50    49 S   HC   _H19    48     1.09481   110.25964   -60.88465
   51    49 S   HC   _H20    49     1.09482   110.27443    60.04345
   52    49 S   HC   _H21    50     1.09520   111.59671   179.56299
   53    46 S   CT   _C20    56     1.57442   108.69608   -90.20830
   54    53 S   HC   _H7_    57     1.09595   111.56775    23.94046
   55    33 S   CT   _C18    86     1.57050   114.95015  -101.55082
   56    55 S   HC   _H14    87     1.10716   103.10392   170.26241
   57    46 S   CT   _C14    90     1.60002   108.10684   157.82877
   58    57 S   HC   _H4_    91     1.09451   114.56555     7.97294
   59    38 S   CA   _C28    44     1.42576   121.44926   -67.73259
   60    53 S   CO4  _C22    58     1.53295   118.62428   151.61748
   61    60 S   O    _O37    59     1.23042   121.06830  -120.26079
   62    82 S   CT   _C13    92     1.57630   111.15034    42.26916
   63    62 S   HC   _H3_    93     1.09469   114.19380   126.89635
   64    59 S   OH   _O41    45     1.37554   122.42732    -3.26830
   65    64 S   HO   _H22    46     0.97498   107.13127    -8.75641
   66    60 S   CT   _C23    60     1.52381   117.22637    69.30646
   67    66 S   HC   _H16    61     1.10277   103.03551    98.42761
   68    53 S   CT   _C21    94     1.53432   104.53613   -96.17264
   69    68 S   HC   _H8_    95     1.09558   114.19215  -162.51776
   70    66 S   CO4  _C24    62     1.50952   117.56992  -147.26837
   71    70 S   O    _O38    63     1.22470   123.73432    -2.55083
   72    68 S   OH   _O36    96     1.41771   112.29588    75.10231
   73    72 S   HO   _H15    97     0.97236   107.58052    61.41873
   74    70 S   CA   _C8_    64     1.48866   115.87225   178.95601
   75    74 S   CA   _C9_    65     1.40716   119.71527   -13.61817
   76    75 S   CA   _C10    66     1.40771   119.39333   178.16506
   77    75 S   CO4  _C11    79     1.49662   119.81774    -3.27357
   78    77 S   O    _O34    80     1.22670   119.61530   165.52790
   79    76 S   CA   _C5_    67     1.40386   120.98706     0.56855
   80    76 S   OH   _O33    77     1.37217   122.47250   179.76761
   81    80 S   HO   _H13    78     0.97358   109.22184     4.70994
   82    66 S   CT   _C12    81     1.53432   112.15213   -18.04498
   83    79 S   CA   _C6_    68     1.39834   118.93762     0.02798
   84    83 S   HA   _H12    69     1.08801   120.10193   179.90721
   85    79 S   CT   _C4_    73     1.50248   121.15635   179.69674
   86    85 S   HC   _H9_    74     1.09476   110.21092   -61.78011
   87    85 S   HC   _H10    75     1.09482   110.26977    59.10556
   88    85 S   HC   _H11    76     1.09512   111.59052   178.59723
   89    82 S   CT   _C16    82     1.57232   115.91493   -76.96064
   90    89 S   HC   _H6_    83     1.09584   112.71713   -98.33421
   91    74 S   CA   _C7_    70     1.40178   120.83301   165.35737
   92    89 S   CO4  _C17    84     1.53554   114.80974    26.77762
   93    92 S   O    _O35    85     1.22811   119.79332  -102.78709
   94    89 S   CT   _C15    88     1.52287   104.05334   142.08336
   95    94 S   HC   _H5_    89     1.09351   114.60921  -164.12920
   96    91 S   OH   _O44    71     1.36924   123.52419     0.93503
   97    96 S   HO   _H24    72     0.97360   108.86101     1.32943
   98    94 S   OH   _O43    98     1.42027   111.65910    73.74411
   99    98 S   HO   _H23    99     0.97242   107.57374    64.79209
  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  15  14  13  16   4  10   3   1  21   8   3
   4   2   1   1  19   9  13   4  17   8   2  13   5  18   8   1
   1  14   6   7   3  10   4   2   1  12  12  13   9   2  10   3
   1   7   8   3   4   2   1   1   7   5   2   4   1   3   2   1
   1   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    55    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    59    46    92    55    56  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    47    59    64    41    46    53    89    92    93    55    56    57  
   38    39    59    46    92    55    56  
   36    37  
   37  
    0  
   39    40    43    47    48    59    64    65    44    41    42    46    92    55    56  
   40    43    47    59    64    49    44    45    41    42    46    53    55    57  
   43    47    48    59    49    50    51    52    44    45    41    42    46  
   42    46    53    54    60    92    55    56    94    57    58    62    68    43    44    59  
   46    53    55    57  
   47    48    59    64    49    50    51    52    44    45  
   45    47    49  
    0  
   53    54    60    61    66    82    89    92    93    55    56    94    95    57    58    62    63    68    69    72    98  
   48    59    64    65    49    50    51    52  
   59    64    49  
   50    51    52    59  
   51    52  
   52  
    0  
   54    60    61    66    67    70    82    92    55    56    94    57    58    62    63    68    69    72    73  
   60    61    66    55    57    62    68    69    72  
   56    94    57    58    62    68    59    60    82    89    90    92    93  
   57    89    92    93  
   58    62    63    68    69    72    98    99    60    66    77    82    89    90    92    94    95  
   62    63    68    98    82    89    94    95  
   64    65  
   61    66    67    70    71    74    77    82    89    62    68    69    72  
   66    67    70    82    68  
   63    68    69    72    73    98    66    67    70    75    77    78    82    89    90    92    94    95  
   68    69    72    66    77    82    89    94  
   65  
    0  
   67    70    71    74    75    91    77    78    82    89    90    92    94    68  
   70    71    74    77    82    89  
   69    72    73    77    82    89    94  
   72    73    82  
   71    74    75    76    83    91    96    77    82    89  
   74    75    91    82  
   73    82  
    0  
   75    76    79    83    84    91    96    97    80    77    78    82  
   76    79    83    91    96    85    80    81    77    78    82    89  
   79    83    84    91    85    86    87    88    80    81    77    78    82  
   78    82    89    90    92    94    79    80    91  
   82    89  
   83    84    91    96    85    86    87    88    80    81  
   81    83    85  
    0  
   89    90    92    93    94    95    98  
   84    91    96    97    85    86    87    88  
   91    96    85  
   86    87    88    91  
   87    88  
   88  
    0  
   90    92    93    94    95    98    99  
   92    93    94    95    98  
   96    97  
   93    94    95    98  
   94  
   95    98    99  
   98    99  
   97  
    0  
   99  
    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   0.102500   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   41   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   60   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   75   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   76   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   77   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   79   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   80   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   82   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   83   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   84   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   85   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   92   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   93   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   94   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   97   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   98   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   99   0.5000   0.0300   0.418000   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  1.510
   33    55   268.000  1.529
   38    39   469.000  1.400
   38    59   469.000  1.400
   39    40   469.000  1.400
   39    41   310.000  1.470
   40    43   469.000  1.400
   40    44   450.000  1.364
   43    47   469.000  1.400
   43    49   317.000  1.510
   47    48   367.000  1.080
   47    59   469.000  1.400
   59    64   450.000  1.364
   64    65   553.000  0.945
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   44    45   553.000  0.945
   41    42   570.000  1.229
   41    46   317.000  1.522
   46    53   268.000  1.529
   46    55   268.000  1.529
   46    57   268.000  1.529
   53    54   340.000  1.090
   53    60   317.000  1.522
   53    68   268.000  1.529
   60    61   570.000  1.229
   60    66   317.000  1.522
   66    67   340.000  1.090
   66    70   317.000  1.522
   66    82   268.000  1.529
   70    71   570.000  1.229
   70    74   310.000  1.470
   74    75   469.000  1.400
   74    91   469.000  1.400
   75    76   469.000  1.400
   75    77   310.000  1.470
   76    79   469.000  1.400
   76    80   450.000  1.364
   79    83   469.000  1.400
   79    85   317.000  1.510
   83    84   367.000  1.080
   83    91   469.000  1.400
   91    96   450.000  1.364
   96    97   553.000  0.945
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   80    81   553.000  0.945
   77    78   570.000  1.229
   77    82   317.000  1.522
   82    89   268.000  1.529
   82    62   268.000  1.529
   89    90   340.000  1.090
   89    92   317.000  1.522
   89    94   268.000  1.529
   92    93   570.000  1.229
   92    55   317.000  1.522
   55    56   340.000  1.090
   94    95   340.000  1.090
   94    57   268.000  1.529
   94    98   320.000  1.410
   57    58   340.000  1.090
   57    62   268.000  1.529
   62    63   340.000  1.090
   62    68   268.000  1.529
   68    69   340.000  1.090
   68    72   320.000  1.410
   72    73   553.000  0.945
   98    99   553.000  0.945
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    80.00000  109.48900
   29    33    55    75.00000  111.63000
   33    38    39    70.00000  120.00000
   33    38    59    70.00000  120.00000
   33    55    46    58.35000  112.70000
   33    55    92    63.00000  111.10000
   33    55    56    37.50000  110.70000
   38    33    34    85.00000  111.85700
   38    39    40    63.00000  120.00000
   38    39    41    60.00000  119.52600
   38    59    47    63.00000  120.00000
   38    59    64    70.00000  120.00000
   39    40    43    63.00000  120.00000
   39    40    44    70.00000  120.00000
   39    41    42    75.00000  123.78400
   39    41    46    65.00000  115.47100
   40    43    47    63.00000  120.00000
   40    43    49    70.00000  120.00000
   40    44    45    35.00000  113.00000
   43    47    48    35.00000  120.00000
   43    47    59    63.00000  120.00000
   43    49    50    35.00000  109.50000
   43    49    51    35.00000  109.50000
   43    49    52    35.00000  109.50000
   47    59    64    70.00000  120.00000
   59    38    39    63.00000  120.00000
   59    47    48    35.00000  120.00000
   59    64    65    35.00000  113.00000
   49    43    47    70.00000  120.00000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   44    40    43    70.00000  120.00000
   41    39    40    60.00000  119.52600
   41    46    53    63.00000  111.10000
   41    46    55    63.00000  111.10000
   41    46    57    63.00000  111.10000
   46    41    42    80.00000  120.40000
   46    53    54    37.50000  110.70000
   46    53    60    63.00000  111.10000
   46    53    68    58.35000  112.70000
   46    55    92    63.00000  111.10000
   46    55    56    37.50000  110.70000
   46    57    94    58.35000  112.70000
   46    57    58    37.50000  110.70000
   46    57    62    58.35000  112.70000
   53    60    61    80.00000  120.40000
   53    60    66    70.00000  116.00000
   53    68    62    58.35000  112.70000
   53    68    69    37.50000  110.70000
   53    68    72    50.00000  109.50000
   60    53    54    35.00000  109.50000
   60    66    67    35.00000  109.50000
   60    66    70    75.00000  107.99600
   60    66    82    63.00000  111.10000
   66    60    61    80.00000  120.40000
   66    70    71    80.00000  120.40000
   66    70    74    65.00000  115.47100
   66    82    77    63.00000  111.10000
   66    82    89    58.35000  112.70000
   66    82    62    58.35000  112.70000
   70    66    67    35.00000  109.50000
   70    74    75    60.00000  119.52600
   70    74    91    60.00000  119.52600
   74    70    71    75.00000  123.78400
   74    75    76    63.00000  120.00000
   74    75    77    60.00000  119.52600
   74    91    83    63.00000  120.00000
   74    91    96    70.00000  120.00000
   75    76    79    63.00000  120.00000
   75    76    80    70.00000  120.00000
   75    77    78    75.00000  123.78400
   75    77    82    65.00000  115.47100
   76    79    83    63.00000  120.00000
   76    79    85    70.00000  120.00000
   76    80    81    35.00000  113.00000
   79    83    84    35.00000  120.00000
   79    83    91    63.00000  120.00000
   79    85    86    35.00000  109.50000
   79    85    87    35.00000  109.50000
   79    85    88    35.00000  109.50000
   83    91    96    70.00000  120.00000
   91    74    75    63.00000  120.00000
   91    83    84    35.00000  120.00000
   91    96    97    35.00000  113.00000
   85    79    83    70.00000  120.00000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   80    76    79    70.00000  120.00000
   77    75    76    60.00000  119.52600
   77    82    89    63.00000  111.10000
   77    82    62    63.00000  111.10000
   82    66    67    37.50000  110.70000
   82    66    70    63.00000  111.10000
   82    77    78    80.00000  120.40000
   82    89    90    37.50000  110.70000
   82    89    92    63.00000  111.10000
   82    89    94    58.35000  112.70000
   82    62    57    58.35000  112.70000
   82    62    63    37.50000  110.70000
   82    62    68    58.35000  112.70000
   89    92    93    80.00000  120.40000
   89    92    55    70.00000  116.00000
   89    94    95    37.50000  110.70000
   89    94    57    58.35000  112.70000
   89    94    98    50.00000  109.50000
   92    89    90    35.00000  109.50000
   92    55    56    35.00000  109.50000
   55    33    34    50.00000  109.50000
   55    33    38    70.00000  112.17500
   55    46    53    58.35000  112.70000
   55    92    93    80.00000  120.40000
   94    89    90    37.50000  110.70000
   94    89    92    63.00000  111.10000
   94    57    58    37.50000  110.70000
   94    57    62    58.35000  112.70000
   94    98    99    55.00000  108.50000
   57    46    53    58.35000  112.70000
   57    46    55    58.35000  112.70000
   57    94    95    37.50000  110.70000
   57    62    63    37.50000  110.70000
   57    62    68    58.35000  112.70000
   62    82    89    58.35000  112.70000
   62    57    58    37.50000  110.70000
   62    68    69    37.50000  110.70000
   62    68    72    50.00000  109.50000
   68    53    54    37.50000  110.70000
   68    53    60    63.00000  111.10000
   68    62    63    37.50000  110.70000
   68    72    73    55.00000  108.50000
   72    68    69    35.00000  109.50000
   98    94    95    35.00000  109.50000
   98    94    57    50.00000  109.50000
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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   0.21350  1.0 3.0
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   94    57    62    68   0.56750  1.0 1.0
   94    57    62    68  -0.07550 -1.0 2.0
   94    57    62    68   0.20000  1.0 3.0
   95    94    57    46   0.15000  1.0 3.0
   95    94    57    58   0.15000  1.0 3.0
   95    94    57    62   0.15000  1.0 3.0
   95    94    98    99   0.19450  1.0 3.0
   57    46    53    54   0.15000  1.0 3.0
   57    46    53    60  -0.95700  1.0 1.0
   57    46    53    60  -0.18200 -1.0 2.0
   57    46    53    60   0.29450  1.0 3.0
   57    46   -53    68   0.56750  1.0 1.0
   57    46   -53    68  -0.07550 -1.0 2.0
   57    46   -53    68   0.20000  1.0 3.0
   57    46    55    33   0.56750  1.0 1.0
   57    46    55    33  -0.07550 -1.0 2.0
   57    46    55    33   0.20000  1.0 3.0
   57    46   -55    92  -0.95700  1.0 1.0
   57    46   -55    92  -0.18200 -1.0 2.0
   57    46   -55    92   0.29450  1.0 3.0
   57    46    55    56   0.15000  1.0 3.0
   57    94    98    99  -0.11600  1.0 1.0
   57    94    98    99  -0.09450 -1.0 2.0
   57    94    98    99   0.21250  1.0 3.0
   57    62   -68    53   0.56750  1.0 1.0
   57    62   -68    53  -0.07550 -1.0 2.0
   57    62   -68    53   0.20000  1.0 3.0
   57    62    68    69   0.15000  1.0 3.0
   57    62    68    72   0.86500  1.0 1.0
   57    62    68    72  -0.17500 -1.0 2.0
   57    62    68    72   0.20800  1.0 3.0
   58    57    62    82   0.15000  1.0 3.0
   58    57    62    63   0.15000  1.0 3.0
   58    57    62    68   0.15000  1.0 3.0
   62    82    89    90   0.15000  1.0 3.0
   62    82    89    92  -0.95700  1.0 1.0
   62    82    89    92  -0.18200 -1.0 2.0
   62    82    89    92   0.29450  1.0 3.0
   62    82   -89    94   0.56750  1.0 1.0
   62    82   -89    94  -0.07550 -1.0 2.0
   62    82   -89    94   0.20000  1.0 3.0
   62    68    72    73  -0.11600  1.0 1.0
   62    68    72    73  -0.09450 -1.0 2.0
   62    68    72    73   0.21250  1.0 3.0
   63    62    68    53   0.15000  1.0 3.0
   63    62    68    69   0.15000  1.0 3.0
   63    62    68    72   0.23400  1.0 3.0
   68    53    60    61   0.30150 -1.0 2.0
   68    53   -60    66   0.60050  1.0 1.0
   68    53   -60    66   0.05600 -1.0 2.0
   68    53   -60    66   0.26150  1.0 3.0
   69    68    72    73   0.19450  1.0 3.0
   98    94    57    46   0.86500  1.0 1.0
   98    94    57    46  -0.17500 -1.0 2.0
   98    94    57    46   0.20800  1.0 3.0
   98    94    57    58   0.23400  1.0 3.0
   98    94    57    62   0.86500  1.0 1.0
   98    94    57    62  -0.17500 -1.0 2.0
   98    94    57    62   0.20800  1.0 3.0
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
   39    59    38    33   4.00000 -1.0 2.0
   40    41    39    38   4.00000 -1.0 2.0
   43    44    40    39   4.00000 -1.0 2.0
   47    49    43    40   4.00000 -1.0 2.0
   59    48    47    43   1.10000 -1.0 2.0
   47    64    59    38   4.00000 -1.0 2.0
   39    46    41    42  10.50000 -1.0 2.0
   53    66    60    61  10.50000 -1.0 2.0
   66    74    70    71  10.50000 -1.0 2.0
   75    91    74    70   4.00000 -1.0 2.0
   76    77    75    74   4.00000 -1.0 2.0
   79    80    76    75   4.00000 -1.0 2.0
   83    85    79    76   4.00000 -1.0 2.0
   91    84    83    79   1.10000 -1.0 2.0
   83    96    91    74   4.00000 -1.0 2.0
   75    82    77    78  10.50000 -1.0 2.0
   89    55    92    93  10.50000 -1.0 2.0
END
