* LIGAND DATABASE FILE (OPLS2005)
*
001     102   107    203    333     605
    1     0 S   NP   _N1_     1    28.78577    92.61517   -20.21778
    2     1 S   H    _HN1     2     1.02782    90.59502   -57.87973
    3     1 S   H    _H1_     3     1.03029   103.77425    50.77288
    4     1 S   H    _H2_     4     1.02810    20.47490   152.91430
    5     1 S   CT   _CA1     5     1.50275   129.27767  -177.75886
    6     5 S   HC   _HA1     6     1.09573   105.29130    49.71943
    7     5 S   CO3  _C1_     7     1.53739   112.57728   -70.40143
    8     7 S   O2Z  _O11     8     1.26330   115.09042   -40.32048
    9     7 S   O2Z  _O12     9     1.26265   114.88673   138.86071
   10     5 S   CT   _CB1    10     1.52921   106.98657   167.40786
   11    10 S   HC   HB11    11     1.09795   108.82445   -53.35163
   12    10 S   HC   HB12    12     1.09726   110.00921    62.83192
   13    10 S   CT   _CG1    13     1.52976   113.66789  -174.97192
   14    13 S   HC   HG11    14     1.09571   110.19036   -64.18742
   15    13 S   HC   HG12    15     1.09601   110.37510    55.18575
   16    13 S   C    _CD1    16     1.51903   111.65519   174.96335
   17    16 S   O    _OE1    17     1.22821   122.95544   -18.54841
   18    16 S   N    _N2_    18     1.38587   112.20043   162.44317
   19    18 S   H    _HN2    19     1.01587   119.21801    -0.14671
   20    18 S   CT1  _CA2    20     1.46286   123.07709  -179.12218
   21    20 S   HC   _HA2    21     1.09769   109.02445   -18.34901
   22    20 S   C    _C2_    22     1.53407   108.42456  -133.76604
   23    22 S   O    _O2_    23     1.23001   122.30858  -146.98275
   24    20 S   CT   _CB2    32     1.53653   112.07392   103.49856
   25    24 S   HC   HB21    33     1.09491   109.84524    56.89243
   26    24 S   HC   HB22    34     1.09490   109.79941   175.99151
   27    22 S   N    _N3_    24     1.38533   113.27019    40.56516
   28    27 S   H    _HN3    25     1.01531   118.86443    -0.73061
   29    24 S   S    _SG2    35     1.82580   111.52575   -63.77766
   30    27 S   CT   _CA3    26     1.45455   123.49527   174.65375
   31    30 S   HC   HA31    27     1.09522   109.21008    24.08121
   32    30 S   HC   HA32    28     1.09490   107.09656   141.14914
   33    29 S   CT   _C8_    36     1.86656   101.09438  -163.99794
   34    33 S   HC   _H5_    37     1.09561   103.85335    45.84965
   35    30 S   CO3  _C3_    29     1.52968   113.29318   -99.32583
   36    35 S   O2Z  _O31    30     1.26399   115.55166   -38.95226
   37    35 S   O2Z  _O32    31     1.26378   114.87295   141.99302
   38    33 S   CT   _C9_    38     1.54801   106.57397   -69.96895
   39    38 S   HC   _H6_    39     1.09840   109.91978   -29.77459
   40    38 S   CT   _C10    40     1.51679   115.90152  -153.10048
   41    40 S   HC   _H7_    41     1.10126   108.57795    87.86451
   42    38 S   OS   _O38    91     1.43781   111.57916    88.44370
   43    40 S   CT   _C15    42     1.55515   113.82455   -30.82934
   44    43 S   CM   _C16    43     1.54947   108.38296    58.40747
   45    43 S   C3T  _C14    82     1.53120   103.73199   179.67076
   46    45 S   HC   _H10    83     1.08221   115.66673   -98.81449
   47    43 S   CT   _C19    99     1.55159   115.44937   -59.09544
   48    47 S   HC   _H20   100     1.08908   113.41726   -53.17122
   49    47 S   HC   _H21   101     1.09777   110.63125  -172.40883
   50    47 S   HC   _H22   102     1.09249   113.26613    68.20498
   51    44 S   CM   _C17    44     1.34910   119.76766   154.26031
   52    51 S   HC   _H19    45     1.08431   122.10613    -2.93858
   53    45 S   C3T  _C13    84     1.51215   117.84771    44.36693
   54    53 S   HC   _H9_    85     1.08107   118.85755  -146.46567
   55    51 S   CO4  _C18    46     1.46817   122.34064   179.31872
   56    55 S   O    _O33    47     1.22568   121.02842   163.89958
   57    53 S   CT   _C12    86     1.50295   120.00076     2.60128
   58    57 S   HC   _H8_    87     1.09693   106.64149  -157.36244
   59    45 S   O3T  _O35    98     1.42868   117.38693   111.03567
   60    55 S   OS   _O34    48     1.35041   116.15574   -16.27271
   61    40 S   CT   _C11    88     1.54759   102.92744  -157.42876
   62    57 S   OH   _O36    96     1.42542   109.61898    89.88642
   63    62 S   HO   _H23    97     0.97334   107.75415   174.07444
   64    60 S   CT   _C6_    49     1.46048   120.32913   -12.53112
   65    64 S   HC   _H4_    50     1.10210   105.61212   -65.84984
   66    61 S   CO4  _C20    89     1.51908   100.76614    29.94726
   67    66 S   O    _O37    90     1.22215   125.82000   165.93598
   68    61 S   CT   _C21    92     1.54585   110.00977   -82.60929
   69    68 S   HC   _H24    93     1.09565   110.98629   -64.78793
   70    68 S   HC   _H25    94     1.09665   110.79845   175.24375
   71    68 S   HC   _H26    95     1.09506   112.60439    56.27744
   72    33 S   CT   _C7_    51     1.58172   115.39185   163.29100
   73    72 S   OM   _O39    52     1.32421   110.20454    56.93336
   74    64 S   CT   _C5_    53     1.55610   105.90582  -177.01692
   75    74 S   HC   _H3_    54     1.09249   108.74887   170.38137
   76    74 S   CT   _C4_    55     1.53567   110.38378    53.24084
   77    76 S   HC   _H16    56     1.09508   111.50928   -75.24954
   78    76 S   HC   _H17    57     1.09456   110.70192   165.85726
   79    76 S   HC   _H18    58     1.09468   111.36160    46.89172
   80    74 S   OS1  _O40    59     1.43172   110.03343   -68.74805
   81    80 S   CO1  _C22    60     1.43273   114.93039  -165.64936
   82    81 S   HC   _H11    61     1.09772   109.10861    38.00348
   83    81 S   CT   _C23    62     1.53644   107.76394   157.48938
   84    83 S   HC   _H12    63     1.09672   110.02109    54.78168
   85    83 S   CT   _C24    64     1.53120   110.79264   176.38730
   86    85 S   HC   _H13    65     1.09494   110.18166    72.18377
   87    83 S   OH5  _O45    80     1.42711   111.00939   -62.58015
   88    87 S   HO   _H32    81     0.97312   108.38663   -39.62500
   89    85 S   CT   _C25    66     1.53101   111.34571   -50.10962
   90    89 S   HC   _H14    67     1.09698   109.05333   -71.81541
   91    85 S   OH5  _O44    78     1.43070   110.03550  -171.80581
   92    91 S   HO   _H31    79     0.97271   107.84301    57.02854
   93    89 S   CT   _C26    68     1.53252   110.70467    49.57192
   94    93 S   HC   _H15    69     1.09839   110.93963    65.00558
   95    89 S   OH5  _O43    76     1.42664   109.55012   171.36760
   96    95 S   HO   _H30    77     0.97272   108.04303   -60.04061
   97    81 S   OS1  _O41    70     1.42940   110.97509   -83.32555
   98    93 S   CT   _C27    71     1.52972   111.48475  -174.24793
   99    98 S   HC   _H27    72     1.09502   110.99771    69.88516
  100    98 S   HC   _H28    73     1.09397   111.55459   -52.51371
  101    98 S   OH5  _O42    74     1.42507   109.07284  -171.44269
  102   101 S   HO   _H29    75     0.97233   107.01458  -177.79868
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  17   8   2   1   1  16   7  24   9   7  20  19  14   5   8   2
   1   1   7   4   9   5   6   2  11   6   2   8   8   3   1  11
   6   5   1   3   2   1   1   5   1  10   6   5   3   2   1   8
  13   6  12   7  13   7   4   1  12   7   3   1   9   6   3   1
   4   4   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    72    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    64    72    73    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    44    51    60    64    65    72    73    74    61    66    42  
   38    39    40    44    64    72    73    42  
   36    37  
   37  
    0  
   39    40    41    43    44    64    72    73    45    57    61    66    67    42    68    47  
   40    41    43    72    61    66    42  
   41    43    44    51    72    45    46    53    57    58    61    66    67    42    68    69    70    71    62    59    47    48    49    50  
   43    44    45    57    61    66    42    68    47  
   68    43    57    61    66    67    72  
   44    51    52    55    64    72    73    45    46    53    54    57    61    66    68    59    47    48    49    50  
   51    52    55    56    60    64    65    72    73    74    45    46    53    61    59    47    48    49    50  
   46    53    54    57    58    61    62    59    47    48    49    50    51    72  
   53    54    57    59    47  
   48    49    50    51    53    59    61    72  
   49    50  
   50  
    0  
   52    55    56    60    64    72    73  
   55    56    60    72  
   54    57    58    61    66    68    62    63    59  
   57    58    61    62    59  
   56    60    64    65    72    74  
   60    64  
   58    61    66    67    68    69    70    71    62    63    59  
   61    66    68    62    63    59  
   61    62  
   64    65    72    73    74    75    76    80  
   66    67    68    69    70    71    62    63  
   63    66    68  
    0  
   65    72    73    74    75    76    77    78    79    80    81  
   72    73    74    75    76    80  
   67    68    69    70    71  
   68  
   69    70    71  
   70    71  
   71  
    0  
   73    74    75    76    80  
   74  
   75    76    77    78    79    80    81    82    83    97  
   76    77    78    79    80    81  
   77    78    79    80    81  
   78    79    80  
   79    80  
   80  
   81    82    83    84    85    93    97    87  
   82    83    84    85    86    89    93    94    97    98    91    87    88  
   83    84    85    93    97    87  
   84    85    86    89    90    93    97    95    91    92    87    88  
   85    86    89    97    91    87    88  
   86    89    90    93    94    97    98    95    96    91    92    87    88  
   89    90    93    95    91    92    87  
   88    89    91    97  
    0  
   90    93    94    97    98    99   100   101    95    96    91    92  
   93    94    97    98    95    96    91  
   92    93    95  
    0  
   94    97    98    99   100   101   102    95    96  
   97    98    99   100   101    95  
   96    97    98  
    0  
   98    99   100   101  
   99   100   101   102  
  100   101   102  
  101   102  
  102  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   45   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   60   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   66   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   73   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   74   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   81   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   89   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   92   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   93   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   95   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   96   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   97   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   98   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  102   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   340.000  1.090
   33    38   268.000  1.529
   33    72   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    43   268.000  1.529
   40    61   268.000  1.529
   43    44   317.000  1.510
   43    45   275.000  1.510
   43    47   268.000  1.529
   44    51   549.000  1.340
   44    72   317.000  1.510
   51    52   340.000  1.080
   51    55   320.000  1.462
   55    56   570.000  1.229
   55    60   214.000  1.327
   60    64   320.000  1.410
   64    65   340.000  1.090
   64    72   268.000  1.529
   64    74   268.000  1.529
   72    73   570.000  1.307
   74    75   340.000  1.090
   74    76   268.000  1.529
   74    80   335.000  1.422
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   80    81   370.000  1.399
   81    82   360.000  1.097
   81    83   255.000  1.525
   81    97   370.000  1.399
   83    84   340.000  1.090
   83    85   268.000  1.529
   83    87   355.000  1.421
   85    86   340.000  1.090
   85    89   268.000  1.529
   85    91   355.000  1.421
   89    90   340.000  1.090
   89    93   268.000  1.529
   89    95   355.000  1.421
   93    94   340.000  1.090
   93    97   335.000  1.422
   93    98   268.000  1.529
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   355.000  1.421
  101   102   580.000  0.967
   95    96   580.000  0.967
   91    92   580.000  0.967
   87    88   580.000  0.967
   45    46   340.000  1.088
   45    53   260.000  1.509
   45    59   335.000  1.432
   53    54   340.000  1.088
   53    57   275.000  1.510
   53    59   335.000  1.432
   57    58   340.000  1.090
   57    61   268.000  1.529
   57    62   320.000  1.410
   61    66   317.000  1.522
   61    68   268.000  1.529
   66    67   570.000  1.229
   66    42   214.000  1.327
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   62    63   553.000  0.945
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    72    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    72    44    70.00000  112.02700
   33    72    64    58.35000  112.70000
   33    72    73    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    43    58.35000  112.70000
   38    40    61    58.35000  112.70000
   38    42    66    83.00000  116.90000
   40    38    39    37.50000  110.70000
   40    43    44    70.00000  112.02700
   40    43    45    70.00000  112.37300
   40    43    47    58.35000  112.70000
   40    61    57    58.35000  112.70000
   40    61    66    63.00000  111.10000
   40    61    68    58.35000  112.70000
   43    40    41    37.50000  110.70000
   43    44    51    70.00000  124.00000
   43    44    72    65.00000  117.92700
   43    45    46    40.00000  115.04500
   43    45    53    60.00000  120.94000
   43    45    59    80.00000  116.47100
   43    47    48    37.50000  110.70000
   43    47    49    37.50000  110.70000
   43    47    50    37.50000  110.70000
   44    51    52    35.00000  120.00000
   44    51    55    65.00000  118.96000
   44    72    64    70.00000  112.02700
   44    72    73    85.00000  110.90400
   51    55    56    80.00000  123.72100
   51    55    60    90.00000  111.29400
   55    51    52    40.00000  117.72500
   55    60    64    83.00000  116.90000
   60    55    56    83.00000  123.40000
   60    64    65    35.00000  109.50000
   60    64    72    50.00000  109.50000
   60    64    74    50.00000  109.50000
   64    72    73    50.00000  109.50000
   64    74    75    37.50000  110.70000
   64    74    76    58.35000  112.70000
   64    74    80    95.00000  107.88500
   72    33    34    37.50000  110.70000
   72    33    38    58.35000  112.70000
   72    44    51    70.00000  124.00000
   72    64    65    37.50000  110.70000
   74    64    65    37.50000  110.70000
   74    64    72    58.35000  112.70000
   74    76    77    37.50000  110.70000
   74    76    78    37.50000  110.70000
   74    76    79    37.50000  110.70000
   74    80    81    90.00000  112.10700
   76    74    75    37.50000  110.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   80    74    75    55.00000  108.98800
   80    74    76    95.00000  107.88500
   80    81    82    60.00000  105.75400
   80    81    83    90.00000  109.70700
   80    81    97   110.00000  113.16000
   81    83    84    45.00000  109.54000
   81    83    85    70.00000  111.10000
   81    83    87    90.00000  109.42000
   81    97    93    90.00000  112.10700
   83    81    82    45.00000  111.65000
   83    85    86    37.50000  110.70000
   83    85    89    58.35000  112.70000
   83    85    91    90.00000  111.45300
   83    87    88    65.00000  108.53500
   85    83    84    37.50000  110.70000
   85    89    90    37.50000  110.70000
   85    89    93    58.35000  112.70000
   85    89    95    90.00000  111.45300
   85    91    92    65.00000  108.53500
   89    85    86    37.50000  110.70000
   89    93    94    37.50000  110.70000
   89    93    97    95.00000  107.88500
   89    93    98    58.35000  112.70000
   89    95    96    65.00000  108.53500
   93    89    90    37.50000  110.70000
   93    98    99    37.50000  110.70000
   93    98   100    37.50000  110.70000
   93    98   101    90.00000  111.45300
   97    81    82    60.00000  105.75400
   97    81    83    90.00000  109.70700
   97    93    94    55.00000  108.98800
   98    93    94    37.50000  110.70000
   98    93    97    95.00000  107.88500
   98   101   102    65.00000  108.53500
  100    98    99    33.00000  107.80000
  101    98    99    60.00000  109.39000
  101    98   100    60.00000  109.39000
   95    89    90    60.00000  109.39000
   95    89    93    90.00000  111.45300
   91    85    86    60.00000  109.39000
   91    85    89    90.00000  111.45300
   87    83    84    60.00000  109.39000
   87    83    85    90.00000  111.45300
   45    43    44    70.00000  112.02700
   45    53    54    37.50000  117.20000
   45    53    57    60.00000  120.94000
   45    53    59    15.00000   60.43100
   45    59    53    15.00000   59.14900
   53    45    46    37.50000  117.20000
   53    57    58    45.00000  109.38400
   53    57    61    70.00000  112.37300
   53    57    62    50.00000  109.50000
   57    53    54    40.00000  115.04500
   57    61    66    63.00000  111.10000
   57    61    68    58.35000  112.70000
   57    62    63    55.00000  108.50000
   61    40    41    37.50000  110.70000
   61    40    43    58.35000  112.70000
   61    57    58    37.50000  110.70000
   61    66    67    80.00000  120.40000
   61    66    42    81.00000  111.40000
   61    68    69    37.50000  110.70000
   61    68    70    37.50000  110.70000
   61    68    71    37.50000  110.70000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
   42    66    67    83.00000  123.40000
   68    61    66    63.00000  111.10000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   62    57    58    35.00000  109.50000
   62    57    61    50.00000  109.50000
   59    45    46    50.00000  114.27700
   59    45    53    15.00000   60.43100
   59    53    54    50.00000  114.27700
   59    53    57    80.00000  116.47100
   47    43    44    70.00000  112.02700
   47    43    45    70.00000  112.37300
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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
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   46    45   -53    59   0.23400  1.0 3.0
   46    45   -59    53   0.36800  1.0 3.0
   53    57   -61    40   0.47050  1.0 1.0
   53    57   -61    40   0.03900 -1.0 2.0
   53    57   -61    40   0.20100  1.0 3.0
   53    57    61    66  -0.95700  1.0 1.0
   53    57    61    66  -0.18200 -1.0 2.0
   53    57    61    66   0.29450  1.0 3.0
   53    57    61    68   0.47050  1.0 1.0
   53    57    61    68   0.03900 -1.0 2.0
   53    57    61    68   0.20100  1.0 3.0
   53    57    62    63  -0.11600  1.0 1.0
   53    57    62    63  -0.09450 -1.0 2.0
   53    57    62    63   0.21250  1.0 3.0
   54    53    57    58   0.15000  1.0 3.0
   54    53    57    61   0.15000  1.0 3.0
   54    53    57    62   0.23400  1.0 3.0
   54    53   -59    45   0.36800  1.0 3.0
   57    53   -59    45   0.06250  1.0 1.0
   57    53   -59    45  -0.01100 -1.0 2.0
   57    53   -59    45   0.28050  1.0 3.0
   57    61    66    67   0.30150 -1.0 2.0
   57    61    66    42   0.36750  1.0 3.0
   57    61    68    69   0.15000  1.0 3.0
   57    61    68    70   0.15000  1.0 3.0
   57    61    68    71   0.15000  1.0 3.0
   58    57    61    40   0.15000  1.0 3.0
   58    57    61    66  -0.11250  1.0 3.0
   58    57    61    68   0.15000  1.0 3.0
   58    57    62    63   0.19450  1.0 3.0
   61    40    43    44   0.34400  1.0 1.0
   61    40    43    44   0.09450 -1.0 2.0
   61    40    43    44   0.11100  1.0 3.0
   61    40   -43    45   0.47050  1.0 1.0
   61    40   -43    45   0.03900 -1.0 2.0
   61    40   -43    45   0.20100  1.0 3.0
   61    40    43    47   0.56750  1.0 1.0
   61    40    43    47  -0.07550 -1.0 2.0
   61    40    43    47   0.20000  1.0 3.0
   61    57    62    63  -0.11600  1.0 1.0
   61    57    62    63  -0.09450 -1.0 2.0
   61    57    62    63   0.21250  1.0 3.0
   61    66   -42    38   1.63150  1.0 1.0
   61    66   -42    38   2.92000 -1.0 2.0
   66    61    68    69  -0.11250  1.0 3.0
   66    61    68    70  -0.11250  1.0 3.0
   66    61    68    71  -0.11250  1.0 3.0
   67    66    42    38   3.00000 -1.0 2.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    43   0.62750  1.0 1.0
   42    38    40    43  -0.30950 -1.0 2.0
   42    38    40    43   0.27300  1.0 3.0
   42    38   -40    61   0.62750  1.0 1.0
   42    38   -40    61  -0.30950 -1.0 2.0
   42    38   -40    61   0.27300  1.0 3.0
   68    61    66    67   0.30150 -1.0 2.0
   68    61    66    42   0.36750  1.0 3.0
   62    57    61    40   0.86500  1.0 1.0
   62    57    61    40  -0.17500 -1.0 2.0
   62    57    61    40   0.20800  1.0 3.0
   62    57    61    66  -0.09450  1.0 1.0
   62    57    61    66  -1.12950 -1.0 2.0
   62    57    61    66   0.54000  1.0 3.0
   62    57    61    68   0.86500  1.0 1.0
   62    57    61    68  -0.17500 -1.0 2.0
   62    57    61    68   0.20800  1.0 3.0
   59    45   -53    54   0.23400  1.0 3.0
   59    45   -53    57   0.02550  1.0 1.0
   59    45   -53    57  -0.02600 -1.0 2.0
   59    45   -53    57   1.20400  1.0 3.0
   59    53    57    58   0.23400  1.0 3.0
   59    53    57    61   0.02550  1.0 1.0
   59    53    57    61  -0.02600 -1.0 2.0
   59    53    57    61   1.20400  1.0 3.0
   59    53    57    62   3.69350  1.0 1.0
   59    53    57    62  -1.82950 -1.0 2.0
   47    43    44    51   0.09850  1.0 1.0
   47    43    44    51   0.15250 -1.0 2.0
   47    43    44    51  -0.50650  1.0 3.0
   47    43    44    72   0.46850  1.0 1.0
   47    43    44    72   0.08550 -1.0 2.0
   47    43    44    72   0.09800  1.0 3.0
   47    43    45    46   0.15000  1.0 3.0
   47    43    45    53   0.07850  1.0 1.0
   47    43    45    53  -0.03950 -1.0 2.0
   47    43    45    53   0.67350  1.0 3.0
   47    43    45    59   0.02550  1.0 1.0
   47    43    45    59  -0.02600 -1.0 2.0
   47    43    45    59   1.20400  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
   43    72    44    51   1.10000 -1.0 2.0
   55    52    51    44   1.10000 -1.0 2.0
   51    60    55    56  10.50000 -1.0 2.0
   61    42    66    67  10.50000 -1.0 2.0
END
