* LIGAND DATABASE FILE (OPLS2005)
*
001     112   115    224    369     687
    1     0 S   NP   _N1_     1    28.60541    95.47188   -19.43856
    2     1 S   H    _HN1     2     1.02963    90.88724    16.19523
    3     1 S   H    _H1_     3     1.02836    38.92001   132.70114
    4     1 S   H    _H2_     4     1.02776    80.35807   -92.28811
    5     1 S   CT   _CA1     5     1.50134   148.71103   150.24858
    6     5 S   HC   _HA1     6     1.09573   105.22552    47.41067
    7     5 S   CO3  _C1_     7     1.53788   112.42926   -72.82104
    8     7 S   O2Z  _O11     8     1.26370   114.94964   -41.35216
    9     7 S   O2Z  _O12     9     1.26234   114.92494   137.80115
   10     5 S   CT   _CB1    10     1.53085   107.43369   165.41555
   11    10 S   HC   HB11    11     1.09825   109.36791   -49.89647
   12    10 S   HC   HB12    12     1.09826   110.38826    66.68469
   13    10 S   CT   _CG1    13     1.52999   112.69207  -170.98424
   14    13 S   HC   HG11    14     1.09616   110.42296   -63.94108
   15    13 S   HC   HG12    15     1.09647   110.02433    55.33493
   16    13 S   C    _CD1    16     1.51807   112.29187   175.73860
   17    16 S   O    _OE1    17     1.22722   123.29386    -1.68168
   18    16 S   N    _N2_    18     1.38596   111.59960   178.16368
   19    18 S   H    _HN2    19     1.01605   119.01751     1.44740
   20    18 S   CT1  _CA2    20     1.46309   123.46223  -177.65356
   21    20 S   HC   _HA2    21     1.09736   109.44750   -11.81640
   22    20 S   C    _C2_    22     1.53414   108.49619  -127.59923
   23    22 S   O    _O2_    23     1.23020   122.20211  -146.73818
   24    20 S   CT   _CB2    32     1.53732   111.08314   110.23290
   25    24 S   HC   HB21    33     1.09213   108.17491    54.52698
   26    24 S   HC   HB22    34     1.09143   110.14681   172.88523
   27    22 S   N    _N3_    24     1.38493   113.39349    40.75465
   28    27 S   H    _HN3    25     1.01524   118.90402    -0.77632
   29    24 S   S    _SG2    35     1.82951   110.64413   -66.22565
   30    27 S   CT   _CA3    26     1.45448   123.47652   174.94433
   31    30 S   HC   HA31    27     1.09521   109.26492    23.89231
   32    30 S   HC   HA32    28     1.09496   107.11836   140.91345
   33    29 S   CT   _C14    36     1.90546   104.99349   177.78097
   34    30 S   CO3  _C3_    29     1.52927   113.08490   -99.59428
   35    34 S   O2Z  _O31    30     1.26407   115.40265   -44.33940
   36    34 S   O2Z  _O32    31     1.26355   114.98630   136.57885
   37    33 S   CT   _C15    37     1.53309   110.24678   -35.23748
   38    37 S   HC   _H20    38     1.08632   112.65516   176.29514
   39    37 S   HC   _H21    39     1.09323   112.91062    57.78169
   40    33 S   CT   _C13    56     1.60361   107.75010  -154.82652
   41    40 S   HC   _H5_    57     1.10055   107.74454   -44.54586
   42    37 S   CO4  _C16    40     1.51153   112.10748   -66.92089
   43    42 S   O    _O33    41     1.22965   121.01755   123.89893
   44    40 S   CT   _C12    58     1.56770   110.92087  -158.39207
   45    44 S   HC   _H18    59     1.09508   109.39790   -77.19070
   46    44 S   HC   _H19    60     1.09612   109.18378   167.03429
   47    42 S   CT   _C17    42     1.52539   115.60271   -60.46596
   48    47 S   HC   _H6_    43     1.09907   104.76607   -60.54702
   49    44 S   CT   _C11    61     1.53632   117.20590    47.94605
   50    49 S   HC   _H16    62     1.09700   108.89067    68.78673
   51    49 S   HC   _H17    63     1.09424   107.78122  -176.99424
   52    47 S   CT   _C22    44     1.53887   111.46863  -175.32107
   53    52 S   HC   _H26    45     1.09802   110.50013    47.73418
   54    52 S   HC   _H27    46     1.09781   109.61896   162.29837
   55    49 S   CT   _C10    64     1.53248   112.16010   -54.49910
   56    52 S   CT   _C21    47     1.52879   113.70770   -75.26637
   57    56 S   HC   _H7_    48     1.09586   110.33911    69.89253
   58    55 S   CT   _C6_    65     1.57428   115.29826   165.03175
   59    58 S   HC   _H4_    66     1.09783   107.38613   -42.66691
   60    55 S   CT   _C24   103     1.54743   109.41889   -71.77698
   61    60 S   HC   _H32   104     1.09351   112.72956   166.86408
   62    60 S   HC   _H33   105     1.08961   113.30973    43.73176
   63    60 S   HC   _H34   106     1.09386   111.39817   -72.53806
   64    56 S   CT   _C20    49     1.52321   112.13342   -51.89577
   65    64 S   HC   _H24    50     1.09551   110.68070   -71.89932
   66    64 S   HC   _H25    51     1.09739   109.07058   173.59501
   67    58 S   CT   _C7_    67     1.55206   102.13163  -155.88122
   68    67 S   HC   _H12    68     1.09621   111.76219   -97.76025
   69    67 S   HC   _H13    69     1.09595   110.40116   142.65299
   70    58 S   CT   _C5_    76     1.55726   120.89927    79.12680
   71    70 S   HC   _H3_    77     1.09768   108.77099    58.68624
   72    56 S   OH   _O34   111     1.42448   109.28817  -172.29824
   73    72 S   HO   _H28   112     0.97232   107.46292   -61.99931
   74    64 S   CT   _C19    52     1.52961   111.36192    52.83070
   75    74 S   HC   _H22    53     1.08709   104.74702    67.55630
   76    74 S   HC   _H23    54     1.09691   109.25335  -178.44581
   77    67 S   CT   _C8_    70     1.54015   107.48688    21.99369
   78    77 S   HC   _H14    71     1.09468   108.68820   128.55775
   79    77 S   HC   _H15    72     1.09434   109.66515  -113.20357
   80    70 S   CT   _C4_    78     1.53510   112.27832   -58.90743
   81    80 S   HC   _H9_    79     1.09473   111.50335   -49.02726
   82    80 S   HC   _H10    80     1.09249   111.11247    71.85306
   83    80 S   HC   _H11    81     1.09482   111.69270  -169.89181
   84    70 S   CT   _C25    82     1.56011   112.64374   175.28574
   85    84 S   HC   _H8_    83     1.09535   109.62962   -56.34279
   86    47 S   CT   _C18    55     1.55343   110.86106    57.14235
   87    33 S   CT   _C9_    73     1.57646   105.37701    89.18780
   88    84 S   CT   _C26    84     1.53829   114.73540    66.54897
   89    88 S   HC   _H36    85     1.09507   109.37546    64.00799
   90    88 S   HC   _H37    86     1.09273   109.76648   -54.37914
   91    84 S   OH   _O37   101     1.43158   109.04730  -172.00839
   92    91 S   HO   _H47   102     0.97231   107.54572    58.61624
   93    87 S   OH   _O35    74     1.46152   105.68617    52.28131
   94    93 S   HO   _H35    75     0.97354   107.15672   -55.48016
   95    88 S   CT   _C27    87     1.53638   111.78622  -175.70897
   96    95 S   HC   _H38    88     1.09878   109.12786    55.21698
   97    95 S   HC   _H39    89     1.09836   109.59341   -59.13710
   98    86 S   CT   _C23   107     1.56058   108.37753  -167.48310
   99    98 S   HC   _H29   108     1.09507   111.92946    54.36544
  100    98 S   HC   _H30   109     1.09282   113.24343   -64.22187
  101    98 S   HC   _H31   110     1.09597   110.75972   175.80138
  102    95 S   CT   _C28    90     1.54225   115.50473   177.96741
  103   102 S   CT   _C29    91     1.53012   112.22545    62.19362
  104   103 S   HC   _H40    92     1.09585   110.76117    54.42408
  105   103 S   HC   _H41    93     1.09626   110.82291   172.17777
  106   103 S   HC   _H42    94     1.09411   112.14791   -67.09932
  107   102 S   CT   _C30    95     1.53037   112.27462   -63.09154
  108   107 S   HC   _H43    96     1.09586   110.76397   -54.11882
  109   107 S   HC   _H44    97     1.09629   110.80563  -171.85061
  110   107 S   HC   _H45    98     1.09401   112.21505    67.44263
  111   102 S   OH   _O36    99     1.43453   106.20913   179.59074
  112   111 S   HO   _H46   100     0.97246   108.07265  -179.73681
  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  13   5   4   3
  25   2   1   1  15   6   5  24   9  11   4  13   6   5  16   7
  15   5   4  12   6   5  19  10   6  23  10   8   3   2   1   9
   6   5  11   6   5  15   8   2   1   7   3   2   5   3   2   7
   3   2   1  10   6   5   2  11   6   5   2   1   1   1  13   5
   4   3   2   1   1  10   9   4   3   2   5   3   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    87    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42    86    40    41    44    55    77    87    93  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    43    47    74    86    40    41    44    45    46    49    55    58    67    77    78    79    87    93    94    60    98  
   35    36  
   36  
    0  
   38    39    42    43    47    48    52    86    40    41    44    55    77    87    93  
   39    42    43    47    40    87  
   42    43    47    40    87  
   41    44    45    46    49    50    51    55    77    87    93    98    99   100   101    42    47    48    52    64    74    75    76    86  
   44    45    46    49    87    98    47    74    86  
   43    47    48    52    53    54    56    74    86    87    98  
   47    48    52    86  
   45    46    49    50    51    55    58    87    60    98    47    74    86  
   46    49    50    51    55    86  
   49    50    51    55    86  
   48    52    53    54    56    57    64    74    75    76    86    98    99   100   101    72  
   52    53    54    56    74    86    98  
   50    51    55    58    59    67    77    87    93    70    60    61    62    63    86  
   51    55    58    87    60  
   55    58    87    60  
   53    54    56    57    64    65    66    74    86    98    72    73  
   54    56    57    64    86    72  
   56    57    64    86    72  
   58    59    67    68    69    77    78    79    87    93    94    70    71    80    84    60    61    62    63  
   57    64    65    66    74    75    76    86    72    73  
   64    65    66    74    72    73  
   59    67    68    69    77    78    79    87    93    70    71    80    81    82    83    84    85    88    91    60    61    62    63  
   67    68    69    77    87    70    71    80    84    60  
   61    62    63    67    70    77    87    93  
   62    63    87  
   63    87  
   87  
   65    66    74    75    76    86    98    72    73  
   66    74    75    76    86    72  
   74    75    76    86    72  
   68    69    77    78    79    87    93    70    71    80    84  
   69    77    78    79    87    70  
   77    78    79    87    70  
   71    80    81    82    83    84    85    88    89    90    95    91    92    77    87  
   80    81    82    83    84    85    88    91  
   73    74  
    0  
   75    76    86    98    99   100   101  
   76    86    98  
   86    98  
   78    79    87    93    94  
   79    87    93  
   87    93  
   81    82    83    84    85    88    91  
   82    83    84  
   83    84  
   84  
   85    88    89    90    95    96    97   102    91    92  
   88    89    90    95    91    92  
   87    98    99   100   101  
   93    94  
   89    90    95    96    97   102   103   107   111    91    92  
   90    95    96    97   102    91  
   95    96    97   102    91  
   92    95  
    0  
   94  
    0  
   96    97   102   103   104   105   106   107   108   109   110   111   112  
   97   102   103   107   111  
  102   103   107   111  
   99   100   101  
  100   101  
  101  
    0  
  103   104   105   106   107   108   109   110   111   112  
  104   105   106   107   108   109   110   111   112  
  105   106   107   111  
  106   107   111  
  107   111  
  108   109   110   111   112  
  109   110   111  
  110   111  
  111  
  112  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.4250   1.2500   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   56   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   87   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   88   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   94   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   95   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
  103   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  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
  111   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  112   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    40   268.000  1.529
   33    87   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    42   317.000  1.522
   42    43   570.000  1.229
   42    47   317.000  1.522
   47    48   340.000  1.090
   47    52   268.000  1.529
   47    86   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    56   268.000  1.529
   56    57   340.000  1.090
   56    64   268.000  1.529
   56    72   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    86   268.000  1.529
   86    40   268.000  1.529
   86    98   268.000  1.529
   40    41   340.000  1.090
   40    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    55   268.000  1.529
   55    58   268.000  1.529
   55    87   268.000  1.529
   55    60   268.000  1.529
   58    59   340.000  1.090
   58    67   268.000  1.529
   58    70   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    87   268.000  1.529
   87    93   320.000  1.410
   93    94   553.000  0.945
   70    71   340.000  1.090
   70    80   268.000  1.529
   70    84   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   84    85   340.000  1.090
   84    88   268.000  1.529
   84    91   320.000  1.410
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    95   268.000  1.529
   95    96   340.000  1.090
   95    97   340.000  1.090
   95   102   268.000  1.529
  102   103   268.000  1.529
  102   107   268.000  1.529
  102   111   320.000  1.410
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   106   340.000  1.090
  107   108   340.000  1.090
  107   109   340.000  1.090
  107   110   340.000  1.090
  111   112   553.000  0.945
   91    92   553.000  0.945
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   340.000  1.090
   72    73   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    40    75.00000  111.63000
   29    33    87    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    42    63.00000  111.10000
   33    40    86    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    58.35000  112.70000
   33    87    55    58.35000  112.70000
   33    87    77    58.35000  112.70000
   33    87    93    50.00000  109.50000
   37    42    43    80.00000  120.40000
   37    42    47    70.00000  116.00000
   39    37    38    33.00000  107.80000
   42    37    38    35.00000  109.50000
   42    37    39    35.00000  109.50000
   42    47    48    35.00000  109.50000
   42    47    52    63.00000  111.10000
   42    47    86    63.00000  111.10000
   47    42    43    80.00000  120.40000
   47    52    53    37.50000  110.70000
   47    52    54    37.50000  110.70000
   47    52    56    58.35000  112.70000
   47    86    74    58.35000  112.70000
   47    86    40    58.35000  112.70000
   47    86    98    58.35000  112.70000
   52    47    48    37.50000  110.70000
   52    56    57    37.50000  110.70000
   52    56    64    58.35000  112.70000
   52    56    72    50.00000  109.50000
   54    52    53    33.00000  107.80000
   56    52    53    37.50000  110.70000
   56    52    54    37.50000  110.70000
   56    64    65    37.50000  110.70000
   56    64    66    37.50000  110.70000
   56    64    74    58.35000  112.70000
   56    72    73    55.00000  108.50000
   64    56    57    37.50000  110.70000
   64    74    75    37.50000  110.70000
   64    74    76    37.50000  110.70000
   64    74    86    58.35000  112.70000
   66    64    65    33.00000  107.80000
   74    64    65    37.50000  110.70000
   74    64    66    37.50000  110.70000
   74    86    40    58.35000  112.70000
   74    86    98    58.35000  112.70000
   76    74    75    33.00000  107.80000
   86    47    48    37.50000  110.70000
   86    47    52    58.35000  112.70000
   86    74    75    37.50000  110.70000
   86    74    76    37.50000  110.70000
   86    40    41    37.50000  110.70000
   86    40    44    58.35000  112.70000
   86    98    99    37.50000  110.70000
   86    98   100    37.50000  110.70000
   86    98   101    37.50000  110.70000
   40    33    37    58.35000  112.70000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    49    58.35000  112.70000
   44    40    41    37.50000  110.70000
   44    49    50    37.50000  110.70000
   44    49    51    37.50000  110.70000
   44    49    55    58.35000  112.70000
   46    44    45    33.00000  107.80000
   49    44    45    37.50000  110.70000
   49    44    46    37.50000  110.70000
   49    55    58    58.35000  112.70000
   49    55    87    58.35000  112.70000
   49    55    60    58.35000  112.70000
   51    49    50    33.00000  107.80000
   55    49    50    37.50000  110.70000
   55    49    51    37.50000  110.70000
   55    58    59    37.50000  110.70000
   55    58    67    58.35000  112.70000
   55    58    70    58.35000  112.70000
   55    87    77    58.35000  112.70000
   55    87    93    50.00000  109.50000
   55    60    61    37.50000  110.70000
   55    60    62    37.50000  110.70000
   55    60    63    37.50000  110.70000
   58    67    68    37.50000  110.70000
   58    67    69    37.50000  110.70000
   58    67    77    58.35000  112.70000
   58    70    71    37.50000  110.70000
   58    70    80    58.35000  112.70000
   58    70    84    58.35000  112.70000
   67    58    59    37.50000  110.70000
   67    77    78    37.50000  110.70000
   67    77    79    37.50000  110.70000
   67    77    87    58.35000  112.70000
   69    67    68    33.00000  107.80000
   77    67    68    37.50000  110.70000
   77    67    69    37.50000  110.70000
   77    87    93    50.00000  109.50000
   79    77    78    33.00000  107.80000
   87    33    37    58.35000  112.70000
   87    33    40    58.35000  112.70000
   87    55    58    58.35000  112.70000
   87    77    78    37.50000  110.70000
   87    77    79    37.50000  110.70000
   87    93    94    55.00000  108.50000
   70    58    59    37.50000  110.70000
   70    58    67    58.35000  112.70000
   70    80    81    37.50000  110.70000
   70    80    82    37.50000  110.70000
   70    80    83    37.50000  110.70000
   70    84    85    37.50000  110.70000
   70    84    88    58.35000  112.70000
   70    84    91    50.00000  109.50000
   80    70    71    37.50000  110.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   84    70    71    37.50000  110.70000
   84    70    80    58.35000  112.70000
   84    88    89    37.50000  110.70000
   84    88    90    37.50000  110.70000
   84    88    95    58.35000  112.70000
   84    91    92    55.00000  108.50000
   88    84    85    37.50000  110.70000
   88    95    96    37.50000  110.70000
   88    95    97    37.50000  110.70000
   88    95   102    58.35000  112.70000
   90    88    89    33.00000  107.80000
   95    88    89    37.50000  110.70000
   95    88    90    37.50000  110.70000
   95   102   103    58.35000  112.70000
   95   102   107    58.35000  112.70000
   95   102   111    50.00000  109.50000
   97    95    96    33.00000  107.80000
  102    95    96    37.50000  110.70000
  102    95    97    37.50000  110.70000
  102   103   104    37.50000  110.70000
  102   103   105    37.50000  110.70000
  102   103   106    37.50000  110.70000
  102   107   108    37.50000  110.70000
  102   107   109    37.50000  110.70000
  102   107   110    37.50000  110.70000
  102   111   112    55.00000  108.50000
  105   103   104    33.00000  107.80000
  106   103   104    33.00000  107.80000
  106   103   105    33.00000  107.80000
  107   102   103    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
  111   102   103    50.00000  109.50000
  111   102   107    50.00000  109.50000
   91    84    85    35.00000  109.50000
   91    84    88    50.00000  109.50000
   60    55    58    58.35000  112.70000
   60    55    87    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   98    86    40    58.35000  112.70000
  100    98    99    33.00000  107.80000
  101    98    99    33.00000  107.80000
  101    98   100    33.00000  107.80000
   72    56    57    35.00000  109.50000
   72    56    64    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
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   58    70    80    81   0.15000  1.0 3.0
   58    70    80    82   0.15000  1.0 3.0
   58    70    80    83   0.15000  1.0 3.0
   58    70    84    85   0.15000  1.0 3.0
   58    70    84    88   0.56750  1.0 1.0
   58    70    84    88  -0.07550 -1.0 2.0
   58    70    84    88   0.20000  1.0 3.0
   58    70    84    91   0.86500  1.0 1.0
   58    70    84    91  -0.17500 -1.0 2.0
   58    70    84    91   0.20800  1.0 3.0
   59    58    67    68   0.15000  1.0 3.0
   59    58    67    69   0.15000  1.0 3.0
   59    58    67    77   0.15000  1.0 3.0
   59    58    70    71   0.15000  1.0 3.0
   59    58    70    80   0.15000  1.0 3.0
   59    58    70    84   0.15000  1.0 3.0
   67    58    70    71   0.15000  1.0 3.0
   67    58    70    80   0.56750  1.0 1.0
   67    58    70    80  -0.07550 -1.0 2.0
   67    58    70    80   0.20000  1.0 3.0
   67    58    70    84   0.56750  1.0 1.0
   67    58    70    84  -0.07550 -1.0 2.0
   67    58    70    84   0.20000  1.0 3.0
   67    77    87    33   0.56750  1.0 1.0
   67    77    87    33  -0.07550 -1.0 2.0
   67    77    87    33   0.20000  1.0 3.0
   67    77   -87    55   0.56750  1.0 1.0
   67    77   -87    55  -0.07550 -1.0 2.0
   67    77   -87    55   0.20000  1.0 3.0
   67    77    87    93   0.86500  1.0 1.0
   67    77    87    93  -0.17500 -1.0 2.0
   67    77    87    93   0.20800  1.0 3.0
   68    67    77    78   0.15000  1.0 3.0
   68    67    77    79   0.15000  1.0 3.0
   68    67    77    87   0.15000  1.0 3.0
   69    67    77    78   0.15000  1.0 3.0
   69    67    77    79   0.15000  1.0 3.0
   69    67    77    87   0.15000  1.0 3.0
   77    87    93    94  -0.11600  1.0 1.0
   77    87    93    94  -0.09450 -1.0 2.0
   77    87    93    94   0.21250  1.0 3.0
   78    77    87    33   0.15000  1.0 3.0
   78    77    87    55   0.15000  1.0 3.0
   78    77    87    93   0.23400  1.0 3.0
   79    77    87    33   0.15000  1.0 3.0
   79    77    87    55   0.15000  1.0 3.0
   79    77    87    93   0.23400  1.0 3.0
   87    33    37    38   0.15000  1.0 3.0
   87    33    37    39   0.15000  1.0 3.0
   87    33    37    42  -0.95700  1.0 1.0
   87    33    37    42  -0.18200 -1.0 2.0
   87    33    37    42   0.29450  1.0 3.0
   87    33    40    86   0.56750  1.0 1.0
   87    33    40    86  -0.07550 -1.0 2.0
   87    33    40    86   0.20000  1.0 3.0
   87    33    40    41   0.15000  1.0 3.0
   87    33   -40    44   0.56750  1.0 1.0
   87    33   -40    44  -0.07550 -1.0 2.0
   87    33   -40    44   0.20000  1.0 3.0
   87    55    58    59   0.15000  1.0 3.0
   87    55   -58    67   0.56750  1.0 1.0
   87    55   -58    67  -0.07550 -1.0 2.0
   87    55   -58    67   0.20000  1.0 3.0
   87    55    58    70   0.56750  1.0 1.0
   87    55    58    70  -0.07550 -1.0 2.0
   87    55    58    70   0.20000  1.0 3.0
   87    55    60    61   0.15000  1.0 3.0
   87    55    60    62   0.15000  1.0 3.0
   87    55    60    63   0.15000  1.0 3.0
   70    58    67    68   0.15000  1.0 3.0
   70    58    67    69   0.15000  1.0 3.0
   70    58    67    77   0.56750  1.0 1.0
   70    58    67    77  -0.07550 -1.0 2.0
   70    58    67    77   0.20000  1.0 3.0
   70    84    88    89   0.15000  1.0 3.0
   70    84    88    90   0.15000  1.0 3.0
   70    84    88    95   0.56750  1.0 1.0
   70    84    88    95  -0.07550 -1.0 2.0
   70    84    88    95   0.20000  1.0 3.0
   70    84    91    92  -0.11600  1.0 1.0
   70    84    91    92  -0.09450 -1.0 2.0
   70    84    91    92   0.21250  1.0 3.0
   71    70    80    81   0.15000  1.0 3.0
   71    70    80    82   0.15000  1.0 3.0
   71    70    80    83   0.15000  1.0 3.0
   71    70    84    85   0.15000  1.0 3.0
   71    70    84    88   0.15000  1.0 3.0
   71    70    84    91   0.23400  1.0 3.0
   80    70    84    85   0.15000  1.0 3.0
   80    70    84    88   0.56750  1.0 1.0
   80    70    84    88  -0.07550 -1.0 2.0
   80    70    84    88   0.20000  1.0 3.0
   80    70    84    91   0.86500  1.0 1.0
   80    70    84    91  -0.17500 -1.0 2.0
   80    70    84    91   0.20800  1.0 3.0
   84    70    80    81   0.15000  1.0 3.0
   84    70    80    82   0.15000  1.0 3.0
   84    70    80    83   0.15000  1.0 3.0
   84    88    95    96   0.15000  1.0 3.0
   84    88    95    97   0.15000  1.0 3.0
   84    88    95   102   0.56750  1.0 1.0
   84    88    95   102  -0.07550 -1.0 2.0
   84    88    95   102   0.20000  1.0 3.0
   85    84    88    89   0.15000  1.0 3.0
   85    84    88    90   0.15000  1.0 3.0
   85    84    88    95   0.15000  1.0 3.0
   85    84    91    92   0.19450  1.0 3.0
   88    84    91    92  -0.11600  1.0 1.0
   88    84    91    92  -0.09450 -1.0 2.0
   88    84    91    92   0.21250  1.0 3.0
   88    95   102   103   0.56750  1.0 1.0
   88    95   102   103  -0.07550 -1.0 2.0
   88    95   102   103   0.20000  1.0 3.0
   88    95   102   107   0.56750  1.0 1.0
   88    95   102   107  -0.07550 -1.0 2.0
   88    95   102   107   0.20000  1.0 3.0
   88    95   102   111   0.86500  1.0 1.0
   88    95   102   111  -0.17500 -1.0 2.0
   88    95   102   111   0.20800  1.0 3.0
   89    88    95    96   0.15000  1.0 3.0
   89    88    95    97   0.15000  1.0 3.0
   89    88    95   102   0.15000  1.0 3.0
   90    88    95    96   0.15000  1.0 3.0
   90    88    95    97   0.15000  1.0 3.0
   90    88    95   102   0.15000  1.0 3.0
   95   102   103   104   0.15000  1.0 3.0
   95   102   103   105   0.15000  1.0 3.0
   95   102   103   106   0.15000  1.0 3.0
   95   102   107   108   0.15000  1.0 3.0
   95   102   107   109   0.15000  1.0 3.0
   95   102   107   110   0.15000  1.0 3.0
   95   102   111   112  -0.11600  1.0 1.0
   95   102   111   112  -0.09450 -1.0 2.0
   95   102   111   112   0.21250  1.0 3.0
   96    95   102   103   0.15000  1.0 3.0
   96    95   102   107   0.15000  1.0 3.0
   96    95   102   111   0.23400  1.0 3.0
   97    95   102   103   0.15000  1.0 3.0
   97    95   102   107   0.15000  1.0 3.0
   97    95   102   111   0.23400  1.0 3.0
  103   102   107   108   0.15000  1.0 3.0
  103   102   107   109   0.15000  1.0 3.0
  103   102   107   110   0.15000  1.0 3.0
  103   102   111   112  -0.11600  1.0 1.0
  103   102   111   112  -0.09450 -1.0 2.0
  103   102   111   112   0.21250  1.0 3.0
  107   102   103   104   0.15000  1.0 3.0
  107   102   103   105   0.15000  1.0 3.0
  107   102   103   106   0.15000  1.0 3.0
  107   102   111   112  -0.11600  1.0 1.0
  107   102   111   112  -0.09450 -1.0 2.0
  107   102   111   112   0.21250  1.0 3.0
  111   102   103   104   0.23400  1.0 3.0
  111   102   103   105   0.23400  1.0 3.0
  111   102   103   106   0.23400  1.0 3.0
  111   102   107   108   0.23400  1.0 3.0
  111   102   107   109   0.23400  1.0 3.0
  111   102   107   110   0.23400  1.0 3.0
   91    84    88    89   0.23400  1.0 3.0
   91    84    88    90   0.23400  1.0 3.0
   91    84    88    95   0.86500  1.0 1.0
   91    84    88    95  -0.17500 -1.0 2.0
   91    84    88    95   0.20800  1.0 3.0
   60    55    58    59   0.15000  1.0 3.0
   60    55    58    67   0.56750  1.0 1.0
   60    55    58    67  -0.07550 -1.0 2.0
   60    55    58    67   0.20000  1.0 3.0
   60    55    58    70   0.56750  1.0 1.0
   60    55    58    70  -0.07550 -1.0 2.0
   60    55    58    70   0.20000  1.0 3.0
   60    55    87    33   0.56750  1.0 1.0
   60    55    87    33  -0.07550 -1.0 2.0
   60    55    87    33   0.20000  1.0 3.0
   60    55    87    77   0.56750  1.0 1.0
   60    55    87    77  -0.07550 -1.0 2.0
   60    55    87    77   0.20000  1.0 3.0
   60    55    87    93   0.86500  1.0 1.0
   60    55    87    93  -0.17500 -1.0 2.0
   60    55    87    93   0.20800  1.0 3.0
   98    86    40    33   0.56750  1.0 1.0
   98    86    40    33  -0.07550 -1.0 2.0
   98    86    40    33   0.20000  1.0 3.0
   98    86    40    41   0.15000  1.0 3.0
   98    86    40    44   0.56750  1.0 1.0
   98    86    40    44  -0.07550 -1.0 2.0
   98    86    40    44   0.20000  1.0 3.0
   72    56    64    65   0.23400  1.0 3.0
   72    56    64    66   0.23400  1.0 3.0
   72    56    64    74   0.86500  1.0 1.0
   72    56    64    74  -0.17500 -1.0 2.0
   72    56    64    74   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
   35    30    34    36  10.50000 -1.0 2.0
   37    47    42    43  10.50000 -1.0 2.0
END
