* LIGAND DATABASE FILE (OPLS2005)
*
001     110   114    226    371     680
    1     0 S   NP   _N1_     1    29.44917   100.89838   -22.39303
    2     1 S   H    _HN1     2     1.02787    93.13754   -81.12801
    3     1 S   H    _H1_     3     1.02950    48.79646    30.67504
    4     1 S   H    _H2_     4     1.02828    68.32445   170.85241
    5     1 S   CT   _CA1     5     1.50117   152.68982    77.36985
    6     5 S   HC   _HA1     6     1.09573   105.19322   141.91722
    7     5 S   CO3  _C1_     7     1.53794   112.46401    21.68374
    8     7 S   O2Z  _O11     8     1.26375   115.00689   -42.39356
    9     7 S   O2Z  _O12     9     1.26242   114.95185   136.72675
   10     5 S   CT   _CB1    10     1.53078   107.41541  -100.09568
   11    10 S   HC   HB11    11     1.09833   109.38295   -49.60798
   12    10 S   HC   HB12    12     1.09813   110.44341    67.00584
   13    10 S   CT   _CG1    13     1.52984   112.60013  -170.57994
   14    13 S   HC   HG11    14     1.09583   110.62962   -65.58218
   15    13 S   HC   HG12    15     1.09670   109.78795    53.64722
   16    13 S   C    _CD1    16     1.51798   112.23039   174.11324
   17    16 S   O    _OE1    17     1.22730   123.29304     6.94184
   18    16 S   N    _N2_    18     1.38633   111.65340  -173.15433
   19    18 S   H    _HN2    19     1.01582   118.96864     1.61083
   20    18 S   CT1  _CA2    20     1.46211   123.45826   177.88984
   21    20 S   HC   _HA2    21     1.09734   109.35686     3.88070
   22    20 S   C    _C2_    22     1.53558   108.77614  -111.69805
   23    22 S   O    _O2_    23     1.23070   122.24706  -148.68642
   24    20 S   CT   _CB2    32     1.53278   111.41039   125.87399
   25    24 S   HC   HB21    33     1.09498   109.95212    56.54625
   26    24 S   HC   HB22    34     1.09528   110.35574   175.51642
   27    22 S   N    _N3_    24     1.38324   113.77443    38.80518
   28    27 S   H    _HN3    25     1.01577   119.59125    -3.30796
   29    24 S   S    _SG2    35     1.82709   111.45984   -64.97299
   30    27 S   CT   _CA3    26     1.45282   123.21128   177.14364
   31    30 S   HC   HA31    27     1.09550   107.51477   -64.58334
   32    30 S   HC   HA32    28     1.09558   107.97854    51.85142
   33    29 S   CT   _C8_    36     1.85605    99.48918   173.45773
   34    33 S   HC   _H4_    37     1.09726   106.61250    18.99543
   35    30 S   CO3  _C3_    29     1.52960   114.09178   173.86442
   36    35 S   O2Z  _O31    30     1.26375   116.08491    -0.06256
   37    35 S   O2Z  _O32    31     1.26430   114.40693   179.97202
   38    33 S   CT   _C7_    38     1.54758   108.63871   135.24161
   39    38 S   HC   _H16    39     1.09230   108.64847   170.25704
   40    38 S   HC   _H17    40     1.09703   110.51621    53.58701
   41    33 S   CT   _C9_   100     1.56301   111.29818   -98.54997
   42    38 S   CT   _C6_    41     1.54144   113.44495   -70.00454
   43    42 S   HC   _H14    42     1.09271   108.61632    51.79344
   44    42 S   HC   _H15    43     1.09765   109.08774   -63.75696
   45    41 S   CT   _C10   101     1.53750   111.21659   173.31041
   46    45 S   HC   _H18   102     1.09593   110.75582   -51.72038
   47    45 S   HC   _H19   103     1.09356   112.55962    70.15553
   48    45 S   HC   _H20   104     1.09667   110.82201  -169.29674
   49    41 S   CT   _C11   105     1.53468   114.07119   -62.65013
   50    49 S   HC   _H21   106     1.09457   111.81848    62.49514
   51    49 S   HC   _H22   107     1.09409   111.98264   -59.89328
   52    49 S   HC   _H23   108     1.09673   110.56396   179.88131
   53    41 S   OH   _O33   109     1.43661   108.13177    57.64539
   54    53 S   HO   _H24   110     0.97254   108.19921  -176.92158
   55    42 S   CT   _C5_    44     1.55497   114.04651   173.56078
   56    55 S   HC   _H3_    45     1.09745   107.49490   -53.07621
   57    55 S   CT   _C12    46     1.55961   110.13682  -171.29013
   58    57 S   HC   _H5_    47     1.10090   107.03800   -57.52709
   59    55 S   CT   _C4_    96     1.53191   110.33915    64.32232
   60    59 S   HC   _H11    97     1.09484   111.24007    68.59901
   61    59 S   HC   _H12    98     1.09130   111.38006  -170.00735
   62    59 S   HC   _H13    99     1.09302   112.09057   -52.41485
   63    57 S   CT   _C13    48     1.55886   111.87124    59.39203
   64    63 S   HC   _H25    49     1.09605   112.02583    29.13088
   65    63 S   HC   _H26    50     1.09602   110.17396   -90.53266
   66    63 S   CT   _C14    51     1.53259   107.39101   149.29277
   67    66 S   HC   _H27    52     1.09478   111.24501   130.55941
   68    66 S   HC   _H28    53     1.09580   110.48753  -110.10973
   69    66 S   CT   _C15    54     1.52086   103.87596     9.63578
   70    69 S   HC   _H6_    55     1.10340   106.06543    77.99830
   71    69 S   CT   _C20    56     1.53643   117.66942  -163.11040
   72    71 S   HC   _H8_    57     1.09450   108.70188    60.96666
   73    71 S   CT   _C21    58     1.53992   110.13380   -56.11137
   74    73 S   HC   _H33    59     1.09767   110.33785   -38.33578
   75    73 S   HC   _H34    60     1.09701   108.83436    77.62343
   76    71 S   CT   _C19    76     1.56095   109.43240  -179.72375
   77    76 S   HC   _H7_    77     1.10129   106.28746    66.79609
   78    73 S   C3T  _C22    61     1.49289   114.48658  -160.50005
   79    78 S   HC   _H9_    62     1.08144   113.37046  -148.03379
   80    76 S   CT   _C18    78     1.55059   112.48650   -47.65492
   81    80 S   HC   _H31    79     1.09330   110.81469   -75.45460
   82    80 S   HC   _H32    80     1.09612   109.50487   167.85730
   83    78 S   C3T  _C23    63     1.51102   123.42903    11.98181
   84    80 S   CT   _C17    81     1.53747   114.21103    47.19609
   85    84 S   HC   _H29    82     1.09773   108.72374    68.40761
   86    84 S   HC   _H30    83     1.09279   107.93630  -176.75508
   87    83 S   CT   _C28    64     1.50493   120.42761  -166.13534
   88    87 S   HC   _H39    65     1.09624   110.62276    92.38171
   89    87 S   HC   _H40    66     1.09801   111.19799   -23.74724
   90    57 S   CT   _C16    84     1.56234   119.79958   179.75292
   91    78 S   O3T  _O35    95     1.43952   111.66285    77.31317
   92    87 S   CT   _C27    67     1.52816   110.32807  -144.85700
   93    92 S   HC   _H10    68     1.09684   109.41924    68.75488
   94    90 S   CT   _C30    85     1.54736   110.92983   -44.86782
   95    94 S   HC   _H45    86     1.09461   112.34141   -47.09813
   96    94 S   HC   _H46    87     1.09314   112.76349  -167.78211
   97    94 S   HC   _H47    88     1.09451   111.03949    72.72866
   98    92 S   CT   _C26    69     1.52936   111.78839   -52.61274
   99    98 S   HC   _H37    70     1.09670   109.97229   -70.34856
  100    98 S   HC   _H38    71     1.09727   109.31782   174.86874
  101    92 S   OH   _O34    93     1.42350   108.70572  -173.71288
  102   101 S   HO   _H41    94     0.97247   107.51669  -179.27019
  103    98 S   CT   _C25    72     1.53322   112.28993    53.23669
  104   103 S   HC   _H35    73     1.09813   107.99894    68.08615
  105   103 S   HC   _H36    74     1.09603   108.22402  -176.67928
  106    83 S   CT   _C24    75     1.52951   119.52070    -6.63123
  107   106 S   CT   _C29    89     1.55124   108.70691   -94.93929
  108   107 S   HC   _H42    90     1.09391   111.90518    60.76807
  109   107 S   HC   _H43    91     1.09424   112.30778   -57.95442
  110   107 S   HC   _H44    92     1.09342   112.05212  -177.33120
  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
  19   8   2   1   1  13   6   5  11  12   5   4   9   4   3   2
   5   3   2   1   1   1  15   8  23   9   5   2   1   1  11   6
   5  11   5   4  19   7  19   9  12   6   5  21   8  10   4  11
   6   5  16   8   3   2  13   7   6   4   4  10   6   3   2   1
   1   9   6   5   2   1   7   3   2   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    41    45    49    53  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    43    44    55    41    45    46    47    48    49    50    51    52    53    54  
   38    39    40    42    41    45    49    53  
   36    37  
   37  
    0  
   39    40    42    43    44    55    56    57    59    41    45    49    53  
   40    42    43    44    55    41  
   42    43    44    55    41  
   45    46    47    48    49    50    51    52    53    54    42  
   43    44    55    56    57    58    63    90    59    60    61    62  
   44    55    56    57    59  
   55    56    57    59  
   46    47    48    49    50    51    52    53    54  
   47    48    49    53  
   48    49    53  
   49    53  
   50    51    52    53    54  
   51    52    53  
   52    53  
   53  
   54  
    0  
   56    57    58    63    64    65    66    69    84    90    94    59    60    61    62  
   57    58    63    90    59    60    61    62  
   58    63    64    65    66    67    68    69    70    71    80    84    85    86    90    94    95    96    97    59    60    61    62  
   63    64    65    66    69    84    90    94    59  
   60    61    62    63    90  
   61    62  
   62  
    0  
   64    65    66    67    68    69    70    71    84    90    94  
   65    66    67    68    69    90  
   66    67    68    69    90  
   67    68    69    70    71    72    73    76    84    90    94  
   68    69    70    71    90  
   69    70    71    90  
   70    71    72    73    74    75    78   106    76    77    80    84    85    86    90    94    95    96    97  
   71    72    73    76    84    90    94  
   72    73    74    75    78    79    83   103   106    76    77    80    81    82    84    90    94   107    91  
   73    74    75    78   106    76    77    80    90  
   74    75    78    79    83    87   106    76    77    80    90    91  
   75    78    79    83    76    91  
   78    79    83    76    91  
   77    80    81    82    84    85    86    90   107   108   109   110    91    78    83    87    98   103   104   105   106  
   80    81    82    84   107    83   103   106  
   79    83    87    88    89    92   103   106   107    91  
   83    87   106    91  
   81    82    84    85    86    90    94   107    83   103   106  
   82    84    85    86    90   106  
   84    85    86    90   106  
   87    88    89    92    93    98   103   104   105   106   107   108   109   110   101    91  
   85    86    90    94    95    96    97   106  
   86    90    94  
   90    94  
   88    89    92    93    98    99   100   103   106   107   101   102    91  
   89    92    93    98   106   101    91  
   92    93    98   106   101    91  
   94    95    96    97  
   92   103   106   107  
   93    98    99   100   103   104   105   106   101   102  
   98    99   100   103   101   102  
   95    96    97  
   96    97  
   97  
    0  
   99   100   103   104   105   106   107   101   102  
  100   103   104   105   106   101  
  103   104   105   106   101  
  102   103  
    0  
  104   105   106   107   108   109   110  
  105   106   107  
  106   107  
  107   108   109   110  
  108   109   110  
  109   110  
  110  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.180000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   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   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   84   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   92   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   3.5000   0.0660  -0.120000   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
  103   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
  107   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  110   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    42   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    55   268.000  1.529
   55    56   340.000  1.090
   55    57   268.000  1.529
   55    59   268.000  1.529
   57    58   340.000  1.090
   57    63   268.000  1.529
   57    90   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   268.000  1.529
   69    70   340.000  1.090
   69    71   268.000  1.529
   69    90   268.000  1.529
   71    72   340.000  1.090
   71    73   268.000  1.529
   71    76   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    78   275.000  1.510
   78    79   340.000  1.088
   78    83   260.000  1.509
   78    91   335.000  1.432
   83    87   275.000  1.510
   83   106   275.000  1.510
   83    91   335.000  1.432
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    92   268.000  1.529
   92    93   340.000  1.090
   92    98   268.000  1.529
   92   101   320.000  1.410
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   103   268.000  1.529
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   106   268.000  1.529
  106    76   268.000  1.529
  106   107   268.000  1.529
   76    77   340.000  1.090
   76    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    84   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    90   268.000  1.529
   90    94   268.000  1.529
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   340.000  1.090
  107   108   340.000  1.090
  107   109   340.000  1.090
  107   110   340.000  1.090
  101   102   553.000  0.945
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   41    45   268.000  1.529
   41    49   268.000  1.529
   41    53   320.000  1.410
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   53    54   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    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    42    58.35000  112.70000
   33    41    45    58.35000  112.70000
   33    41    49    58.35000  112.70000
   33    41    53    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    42    43    37.50000  110.70000
   38    42    44    37.50000  110.70000
   38    42    55    58.35000  112.70000
   40    38    39    33.00000  107.80000
   42    38    39    37.50000  110.70000
   42    38    40    37.50000  110.70000
   42    55    56    37.50000  110.70000
   42    55    57    58.35000  112.70000
   42    55    59    58.35000  112.70000
   44    42    43    33.00000  107.80000
   55    42    43    37.50000  110.70000
   55    42    44    37.50000  110.70000
   55    57    58    37.50000  110.70000
   55    57    63    58.35000  112.70000
   55    57    90    58.35000  112.70000
   55    59    60    37.50000  110.70000
   55    59    61    37.50000  110.70000
   55    59    62    37.50000  110.70000
   57    55    56    37.50000  110.70000
   57    63    64    37.50000  110.70000
   57    63    65    37.50000  110.70000
   57    63    66    58.35000  112.70000
   57    90    69    58.35000  112.70000
   57    90    84    58.35000  112.70000
   57    90    94    58.35000  112.70000
   63    57    58    37.50000  110.70000
   63    66    67    37.50000  110.70000
   63    66    68    37.50000  110.70000
   63    66    69    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    37.50000  110.70000
   66    63    65    37.50000  110.70000
   66    69    70    37.50000  110.70000
   66    69    71    58.35000  112.70000
   66    69    90    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    37.50000  110.70000
   69    66    68    37.50000  110.70000
   69    71    72    37.50000  110.70000
   69    71    73    58.35000  112.70000
   69    71    76    58.35000  112.70000
   69    90    84    58.35000  112.70000
   69    90    94    58.35000  112.70000
   71    69    70    37.50000  110.70000
   71    73    74    37.50000  110.70000
   71    73    75    37.50000  110.70000
   71    73    78    70.00000  112.37300
   71    76   106    58.35000  112.70000
   71    76    77    37.50000  110.70000
   71    76    80    58.35000  112.70000
   73    71    72    37.50000  110.70000
   73    78    79    40.00000  115.04500
   73    78    83    60.00000  120.94000
   73    78    91    80.00000  116.47100
   75    73    74    33.00000  107.80000
   78    73    74    45.00000  109.38400
   78    73    75    45.00000  109.38400
   78    83    87    60.00000  120.94000
   78    83   106    60.00000  120.94000
   78    83    91    15.00000   60.43100
   78    91    83    15.00000   59.14900
   83    78    79    37.50000  117.20000
   83    87    88    45.00000  109.38400
   83    87    89    45.00000  109.38400
   83    87    92    70.00000  112.37300
   83   106   103    70.00000  112.37300
   83   106    76    70.00000  112.37300
   83   106   107    70.00000  112.37300
   87    92    93    37.50000  110.70000
   87    92    98    58.35000  112.70000
   87    92   101    50.00000  109.50000
   89    87    88    33.00000  107.80000
   92    87    88    37.50000  110.70000
   92    87    89    37.50000  110.70000
   92    98    99    37.50000  110.70000
   92    98   100    37.50000  110.70000
   92    98   103    58.35000  112.70000
   92   101   102    55.00000  108.50000
   98    92    93    37.50000  110.70000
   98   103   104    37.50000  110.70000
   98   103   105    37.50000  110.70000
   98   103   106    58.35000  112.70000
  100    98    99    33.00000  107.80000
  103    98    99    37.50000  110.70000
  103    98   100    37.50000  110.70000
  103   106    76    58.35000  112.70000
  103   106   107    58.35000  112.70000
  105   103   104    33.00000  107.80000
  106    83    87    58.35000  112.70000
  106   103   104    37.50000  110.70000
  106   103   105    37.50000  110.70000
  106    76    77    37.50000  110.70000
  106    76    80    58.35000  112.70000
  106   107   108    37.50000  110.70000
  106   107   109    37.50000  110.70000
  106   107   110    37.50000  110.70000
   76    71    72    37.50000  110.70000
   76    71    73    58.35000  112.70000
   76    80    81    37.50000  110.70000
   76    80    82    37.50000  110.70000
   76    80    84    58.35000  112.70000
   80    76    77    37.50000  110.70000
   80    84    85    37.50000  110.70000
   80    84    86    37.50000  110.70000
   80    84    90    58.35000  112.70000
   82    80    81    33.00000  107.80000
   84    80    81    37.50000  110.70000
   84    80    82    37.50000  110.70000
   84    90    94    58.35000  112.70000
   86    84    85    33.00000  107.80000
   90    57    58    37.50000  110.70000
   90    57    63    58.35000  112.70000
   90    69    70    37.50000  110.70000
   90    69    71    58.35000  112.70000
   90    84    85    37.50000  110.70000
   90    84    86    37.50000  110.70000
   90    94    95    37.50000  110.70000
   90    94    96    37.50000  110.70000
   90    94    97    37.50000  110.70000
   96    94    95    33.00000  107.80000
   97    94    95    33.00000  107.80000
   97    94    96    33.00000  107.80000
  107   106    76    58.35000  112.70000
  109   107   108    33.00000  107.80000
  110   107   108    33.00000  107.80000
  110   107   109    33.00000  107.80000
  101    92    93    35.00000  109.50000
  101    92    98    50.00000  109.50000
   91    78    79    50.00000  114.27700
   91    78    83    15.00000   60.43100
   91    83    87    80.00000  116.47100
   91    83   106    80.00000  116.47100
   59    55    56    37.50000  110.70000
   59    55    57    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    48    37.50000  110.70000
   41    49    50    37.50000  110.70000
   41    49    51    37.50000  110.70000
   41    49    52    37.50000  110.70000
   41    53    54    55.00000  108.50000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   49    41    45    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   53    41    45    50.00000  109.50000
   53    41    49    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
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   88    87    92   101   0.23400  1.0 3.0
   89    87    92    93   0.15000  1.0 3.0
   89    87    92    98   0.15000  1.0 3.0
   89    87    92   101   0.23400  1.0 3.0
   92    98   103   104   0.15000  1.0 3.0
   92    98   103   105   0.15000  1.0 3.0
   92    98   103   106   0.56750  1.0 1.0
   92    98   103   106  -0.07550 -1.0 2.0
   92    98   103   106   0.20000  1.0 3.0
   93    92    98    99   0.15000  1.0 3.0
   93    92    98   100   0.15000  1.0 3.0
   93    92    98   103   0.15000  1.0 3.0
   93    92   101   102   0.19450  1.0 3.0
   98    92   101   102  -0.11600  1.0 1.0
   98    92   101   102  -0.09450 -1.0 2.0
   98    92   101   102   0.21250  1.0 3.0
   98   103  -106    83   0.47050  1.0 1.0
   98   103  -106    83   0.03900 -1.0 2.0
   98   103  -106    83   0.20100  1.0 3.0
   98   103   106    76   0.56750  1.0 1.0
   98   103   106    76  -0.07550 -1.0 2.0
   98   103   106    76   0.20000  1.0 3.0
   98   103   106   107   0.56750  1.0 1.0
   98   103   106   107  -0.07550 -1.0 2.0
   98   103   106   107   0.20000  1.0 3.0
   99    98   103   104   0.15000  1.0 3.0
   99    98   103   105   0.15000  1.0 3.0
   99    98   103   106   0.15000  1.0 3.0
  100    98   103   104   0.15000  1.0 3.0
  100    98   103   105   0.15000  1.0 3.0
  100    98   103   106   0.15000  1.0 3.0
  103   106    76    71   0.56750  1.0 1.0
  103   106    76    71  -0.07550 -1.0 2.0
  103   106    76    71   0.20000  1.0 3.0
  103   106    76    77   0.15000  1.0 3.0
  103   106    76    80   0.56750  1.0 1.0
  103   106    76    80  -0.07550 -1.0 2.0
  103   106    76    80   0.20000  1.0 3.0
  103   106   107   108   0.15000  1.0 3.0
  103   106   107   109   0.15000  1.0 3.0
  103   106   107   110   0.15000  1.0 3.0
  104   103   106    83   0.15000  1.0 3.0
  104   103   106    76   0.15000  1.0 3.0
  104   103   106   107   0.15000  1.0 3.0
  105   103   106    83   0.15000  1.0 3.0
  105   103   106    76   0.15000  1.0 3.0
  105   103   106   107   0.15000  1.0 3.0
  106    83    87    88   0.15000  1.0 3.0
  106    83    87    89   0.15000  1.0 3.0
  106    83   -87    92   0.56750  1.0 1.0
  106    83   -87    92  -0.07550 -1.0 2.0
  106    83   -87    92   0.20000  1.0 3.0
  106    83   -91    78   0.06250  1.0 1.0
  106    83   -91    78  -0.01100 -1.0 2.0
  106    83   -91    78   0.28050  1.0 3.0
  106    76    80    81   0.15000  1.0 3.0
  106    76    80    82   0.15000  1.0 3.0
  106    76    80    84   0.56750  1.0 1.0
  106    76    80    84  -0.07550 -1.0 2.0
  106    76    80    84   0.20000  1.0 3.0
   76    71    73    74   0.15000  1.0 3.0
   76    71    73    75   0.15000  1.0 3.0
   76    71   -73    78   0.47050  1.0 1.0
   76    71   -73    78   0.03900 -1.0 2.0
   76    71   -73    78   0.20100  1.0 3.0
   76   106   107   108   0.15000  1.0 3.0
   76   106   107   109   0.15000  1.0 3.0
   76   106   107   110   0.15000  1.0 3.0
   76    80    84    85   0.15000  1.0 3.0
   76    80    84    86   0.15000  1.0 3.0
   76    80    84    90   0.56750  1.0 1.0
   76    80    84    90  -0.07550 -1.0 2.0
   76    80    84    90   0.20000  1.0 3.0
   77    76    80    81   0.15000  1.0 3.0
   77    76    80    82   0.15000  1.0 3.0
   77    76    80    84   0.15000  1.0 3.0
   80    84    90    57   0.56750  1.0 1.0
   80    84    90    57  -0.07550 -1.0 2.0
   80    84    90    57   0.20000  1.0 3.0
   80    84   -90    69   0.56750  1.0 1.0
   80    84   -90    69  -0.07550 -1.0 2.0
   80    84   -90    69   0.20000  1.0 3.0
   80    84    90    94   0.56750  1.0 1.0
   80    84    90    94  -0.07550 -1.0 2.0
   80    84    90    94   0.20000  1.0 3.0
   81    80    84    85   0.15000  1.0 3.0
   81    80    84    86   0.15000  1.0 3.0
   81    80    84    90   0.15000  1.0 3.0
   82    80    84    85   0.15000  1.0 3.0
   82    80    84    86   0.15000  1.0 3.0
   82    80    84    90   0.15000  1.0 3.0
   84    90    94    95   0.15000  1.0 3.0
   84    90    94    96   0.15000  1.0 3.0
   84    90    94    97   0.15000  1.0 3.0
   85    84    90    57   0.15000  1.0 3.0
   85    84    90    69   0.15000  1.0 3.0
   85    84    90    94   0.15000  1.0 3.0
   86    84    90    57   0.15000  1.0 3.0
   86    84    90    69   0.15000  1.0 3.0
   86    84    90    94   0.15000  1.0 3.0
   90    57    63    64   0.15000  1.0 3.0
   90    57    63    65   0.15000  1.0 3.0
   90    57   -63    66   0.56750  1.0 1.0
   90    57   -63    66  -0.07550 -1.0 2.0
   90    57   -63    66   0.20000  1.0 3.0
   90    69    71    72   0.15000  1.0 3.0
   90    69    71    73   0.56750  1.0 1.0
   90    69    71    73  -0.07550 -1.0 2.0
   90    69    71    73   0.20000  1.0 3.0
   90    69   -71    76   0.56750  1.0 1.0
   90    69   -71    76  -0.07550 -1.0 2.0
   90    69   -71    76   0.20000  1.0 3.0
  107   106    76    71   0.56750  1.0 1.0
  107   106    76    71  -0.07550 -1.0 2.0
  107   106    76    71   0.20000  1.0 3.0
  107   106    76    77   0.15000  1.0 3.0
  107   106    76    80   0.56750  1.0 1.0
  107   106    76    80  -0.07550 -1.0 2.0
  107   106    76    80   0.20000  1.0 3.0
  101    92    98    99   0.23400  1.0 3.0
  101    92    98   100   0.23400  1.0 3.0
  101    92    98   103   0.86500  1.0 1.0
  101    92    98   103  -0.17500 -1.0 2.0
  101    92    98   103   0.20800  1.0 3.0
   91    78   -83    87   0.02550  1.0 1.0
   91    78   -83    87  -0.02600 -1.0 2.0
   91    78   -83    87   1.20400  1.0 3.0
   91    78   -83   106   0.02550  1.0 1.0
   91    78   -83   106  -0.02600 -1.0 2.0
   91    78   -83   106   1.20400  1.0 3.0
   91    83    87    88   0.23400  1.0 3.0
   91    83    87    89   0.23400  1.0 3.0
   91    83    87    92   0.02550  1.0 1.0
   91    83    87    92  -0.02600 -1.0 2.0
   91    83    87    92   1.20400  1.0 3.0
   91    83   106   103   0.02550  1.0 1.0
   91    83   106   103  -0.02600 -1.0 2.0
   91    83   106   103   1.20400  1.0 3.0
   91    83   106    76   0.02550  1.0 1.0
   91    83   106    76  -0.02600 -1.0 2.0
   91    83   106    76   1.20400  1.0 3.0
   91    83   106   107   0.02550  1.0 1.0
   91    83   106   107  -0.02600 -1.0 2.0
   91    83   106   107   1.20400  1.0 3.0
   59    55    57    58   0.15000  1.0 3.0
   59    55    57    63   0.56750  1.0 1.0
   59    55    57    63  -0.07550 -1.0 2.0
   59    55    57    63   0.20000  1.0 3.0
   59    55    57    90   0.56750  1.0 1.0
   59    55    57    90  -0.07550 -1.0 2.0
   59    55    57    90   0.20000  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    42   0.56750  1.0 1.0
   41    33    38    42  -0.07550 -1.0 2.0
   41    33    38    42   0.20000  1.0 3.0
   45    41    49    50   0.15000  1.0 3.0
   45    41    49    51   0.15000  1.0 3.0
   45    41    49    52   0.15000  1.0 3.0
   45    41    53    54  -0.11600  1.0 1.0
   45    41    53    54  -0.09450 -1.0 2.0
   45    41    53    54   0.21250  1.0 3.0
   49    41    45    46   0.15000  1.0 3.0
   49    41    45    47   0.15000  1.0 3.0
   49    41    45    48   0.15000  1.0 3.0
   49    41    53    54  -0.11600  1.0 1.0
   49    41    53    54  -0.09450 -1.0 2.0
   49    41    53    54   0.21250  1.0 3.0
   53    41    45    46   0.23400  1.0 3.0
   53    41    45    47   0.23400  1.0 3.0
   53    41    45    48   0.23400  1.0 3.0
   53    41    49    50   0.23400  1.0 3.0
   53    41    49    51   0.23400  1.0 3.0
   53    41    49    52   0.23400  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
END
