* LIGAND DATABASE FILE (OPLS2005)
*
001     102   106    203    335     614
    1     0 S   NP   _N1_     1    29.18825    97.07362   -19.28725
    2     1 S   H    _HN1     2     1.02785    72.85239   -52.94726
    3     1 S   H    _H1_     3     1.02956    94.10784    54.91834
    4     1 S   H    _H2_     4     1.02843    43.86521   165.45359
    5     1 S   CT   _CA1     5     1.50092   150.54166  -157.83530
    6     5 S   HC   _HA1     6     1.09588   105.23279    32.93816
    7     5 S   CO3  _C1_     7     1.53739   112.23390   -87.10894
    8     7 S   O2Z  _O11     8     1.26333   115.08340   -49.93703
    9     7 S   O2Z  _O12     9     1.26228   114.85443   129.29206
   10     5 S   CT   _CB1    10     1.53103   107.42050   150.55116
   11    10 S   HC   HB11    11     1.09808   109.12362   -52.74906
   12    10 S   HC   HB12    12     1.09823   110.55581    63.71098
   13    10 S   CT   _CG1    13     1.53005   112.66597  -174.05489
   14    13 S   HC   HG11    14     1.09522   110.22128   -62.98196
   15    13 S   HC   HG12    15     1.09633   110.22399    55.94433
   16    13 S   C    _CD1    16     1.51842   112.08748   175.64490
   17    16 S   O    _OE1    17     1.22752   122.97736   -19.77232
   18    16 S   N    _N2_    18     1.38504   111.90020   161.89550
   19    18 S   H    _HN2    19     1.01592   119.08266    -1.37984
   20    18 S   CT1  _CA2    20     1.46311   123.58160   179.00024
   21    20 S   HC   _HA2    21     1.09736   109.31286   -16.88092
   22    20 S   C    _C2_    22     1.53507   108.07748  -132.30778
   23    22 S   O    _O2_    23     1.22999   122.39709  -146.97875
   24    20 S   CT   _CB2    32     1.53416   111.33493   105.53804
   25    24 S   HC   HB21    33     1.09465   109.28924    51.49047
   26    24 S   HC   HB22    34     1.09490   110.59748   170.02157
   27    22 S   N    _N3_    24     1.38571   113.32207    40.57698
   28    27 S   H    _HN3    25     1.01524   118.87349    -0.58717
   29    24 S   S    _SG2    35     1.83363   111.48979   -71.08304
   30    27 S   CT   _CA3    26     1.45435   123.43255   175.10111
   31    30 S   HC   HA31    27     1.09524   109.22152    24.80280
   32    30 S   HC   HA32    28     1.09495   107.12535   141.80565
   33    29 S   CT   _C24    36     1.87951   101.03001   151.84830
   34    30 S   CO3  _C3_    29     1.52920   113.12856   -98.66352
   35    34 S   O2Z  _O31    30     1.26403   115.41529   -44.10917
   36    34 S   O2Z  _O32    31     1.26356   114.97898   136.84920
   37    33 S   CM   _C19    37     1.53884   109.47297   -68.03119
   38    33 S   CM   _C23    49     1.52473   107.98784    56.12511
   39    33 S   CT   _C25    99     1.54014   107.30765   173.59299
   40    39 S   HC   _H21   100     1.09700   112.15922   -60.15260
   41    39 S   HC   _H22   101     1.09757   110.89357  -179.68348
   42    39 S   HC   _H23   102     1.09690   112.16851    60.75664
   43    37 S   CM   _C18    38     1.34874   123.22498   -45.07655
   44    43 S   HC   _H19    39     1.08558   121.75484    -1.51336
   45    38 S   OH   _O33    50     1.39137   115.59266    52.13174
   46    45 S   HO   _H24    51     0.97508   105.96419  -179.58883
   47    43 S   CM   _C17    40     1.43993   122.06452   169.84019
   48    47 S   HC   _H18    41     1.08439   115.09352  -154.39252
   49    47 S   CM   _C16    42     1.34926   122.34712    18.11004
   50    49 S   CT   _C15    43     1.55216   118.07567     5.53973
   51    37 S   CM   _C20    44     1.47520   117.88685   135.46133
   52    50 S   CT   _C14    52     1.54689   110.55647  -156.17972
   53    52 S   HC   _H16    53     1.09934   110.12386  -164.71109
   54    52 S   HC   _H17    54     1.09884   109.12932    81.38436
   55    50 S   CT   _C26    95     1.55756   111.91184    83.51737
   56    55 S   HC   _H25    96     1.09238   112.66535    87.01953
   57    55 S   HC   _H26    97     1.09608   112.27740   -35.23561
   58    55 S   HC   _H27    98     1.09801   111.67709  -155.43958
   59    51 S   CM   _C21    45     1.35014   120.05497   -12.82214
   60    59 S   HC   _H20    46     1.08855   119.00895   176.90769
   61    52 S   CT   _C13    55     1.54033   118.08185   -41.27977
   62    61 S   HC   _H14    56     1.09545   104.05460   138.13478
   63    61 S   HC   _H15    57     1.09754   109.00273  -110.09914
   64    59 S   CMA  _C22    47     1.45988   124.51755     1.49043
   65    64 S   OM   _O34    48     1.26100   111.29955  -175.24774
   66    61 S   CT   _C12    58     1.55649   118.31563    16.44909
   67    66 S   CT   _C7_    59     1.61186   112.04804   161.82108
   68    67 S   HC   _H4_    60     1.10230   102.04253    93.36692
   69    49 S   CT   _C11    78     1.56655   120.94308  -166.77413
   70    66 S   CT   _C27    91     1.57819   108.15513   -84.61712
   71    70 S   HC   _H28    92     1.09401   112.90239  -151.10803
   72    70 S   HC   _H29    93     1.08982   113.69958    90.46139
   73    70 S   HC   _H30    94     1.09572   111.29220   -32.59078
   74    67 S   CT   _C6_    61     1.54825   119.88732   -14.42556
   75    74 S   HC   _H8_    62     1.10067   107.18593   150.92407
   76    74 S   HC   _H9_    63     1.09457   111.46281    38.28911
   77    69 S   CT   _C28    79     1.55445   102.02434    83.39555
   78    77 S   HC   _H31    80     1.07951   113.09078   175.07797
   79    77 S   HC   _H32    81     1.09240   113.67237    54.26652
   80    77 S   HC   _H33    82     1.09802   111.27245   -65.25255
   81    74 S   CT   _C5_    64     1.52134   115.26369   -89.52315
   82    81 S   HC   _H3_    65     1.09146   110.87482    63.39520
   83    81 S   CO4  _C30    66     1.51976   108.53976   -55.87043
   84    83 S   O    _O35    67     1.23183   122.31425  -132.46723
   85    81 S   CT   _C4_    87     1.52906   110.31785  -177.95512
   86    85 S   HC   _H5_    88     1.09574   111.48935    61.55174
   87    85 S   HC   _H6_    89     1.09506   110.84325   -59.03842
   88    85 S   HC   _H7_    90     1.09553   110.81513  -178.68240
   89    83 S   CT   _C29    68     1.51440   117.23117    52.51129
   90    89 S   HC   _H34    69     1.09107   107.97376    81.72532
   91    89 S   HC   _H35    70     1.09885   107.15232  -166.38739
   92    67 S   CT   _C8_    71     1.57102   115.88076  -153.47403
   93    92 S   CT   _C9_    72     1.54071   111.29842   -22.30951
   94    93 S   HC   _H10    73     1.09735   109.29436   -72.47785
   95    93 S   HC   _H11    74     1.09929   109.85412   174.25584
   96    92 S   CT   _C31    83     1.55837   108.27075  -139.36148
   97    96 S   HC   _H36    84     1.09615   111.36356    56.82283
   98    96 S   HC   _H37    85     1.09492   111.79037   -63.78041
   99    96 S   HC   _H38    86     1.09652   111.22421   176.09906
  100    93 S   CT   _C10    75     1.53344   117.07420    50.45772
  101   100 S   HC   _H12    76     1.09768   107.76222    98.72214
  102   100 S   HC   _H13    77     1.09859   105.44525  -149.43661
  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  11   5   4   3
  16   2   1   1  18  12   7   2   1   1   8   4   4   1  10   3
  23  18  13  14   6   5   6   2   1   1   3   2  14   5   4   1
   1  22  26  10  16   7   2   1   1  14   6   5   7   3   2   1
  11   7  11   5   4   2   1   1  11   4   3  10   9   5   4   4
   2   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    43    51    64    38    45    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    43    44    47    50    51    59    64    65    38    45    46    39    40    41    42  
   35    36  
   36  
    0  
   43    44    47    48    49    50    51    59    60    64    38    45    52    55    39    40    41    42  
   45    46    39    40    41    42    43    51    59    60    64    65  
   40    41    42    43    45    51    64  
   41    42  
   42  
    0  
   44    47    48    49    50    51    59    69  
   47    48    49    51  
   46    59    64    65  
   64  
   48    49    50    51    52    66   100    69    77    55  
   49    50    69  
   50    51    59    52    53    54    61    66    67    93   100   101   102    69    77    78    79    80    70    55    56    57    58  
   51    59    60    64    52    53    54    61    62    63    66   100    69    77    55    56    57    58  
   59    60    64    65    52    53    54    61    69    55    56    57    58  
   53    54    61    62    63    66    67    69    70    55    56    57    58    59  
   54    61    62    63    66    55  
   61    62    63    66    55  
   56    57    58    59    61    69  
   57    58  
   58  
    0  
   60    64    65  
   64    65  
   62    63    66    67    68    74    92   100    69    77    70    71    72    73  
   63    66    67    69    70  
   66    67    69    70  
   65  
    0  
   67    68    74    75    76    81    89    92    93   100   101   102    69    77    78    79    80    96    70    71    72    73  
   68    74    75    76    81    82    83    89    90    91    92    93    94    95   100    69    77    96    97    98    99    85    70    71    72    73  
   74    75    76    81    89    92    93    69    96    70  
   77    78    79    80    70    71    72    73    74    92    93    94    95   100   101   102  
   71    72    73    74    77    92   100  
   72    73  
   73  
    0  
   75    76    81    82    83    84    89    92    93    96    85    86    87    88  
   76    81    82    83    92    85  
   81    82    83    92    85  
   78    79    80    93   100   101   102  
   79    80   100  
   80   100  
  100  
   82    83    84    89    90    91    92    85    86    87    88  
   83    84    89    85    86    87    88  
   84    89    90    91    92    93    96    85    86    87    88  
   89    90    91    92    85  
   86    87    88    89  
   87    88  
   88  
    0  
   90    91    92    93    94    95   100    96    97    98    99  
   91    92    93    96  
   92    93    96  
   93    94    95   100   101   102    96    97    98    99  
   94    95   100   101   102    96    97    98    99  
   95   100   101   102    96  
  100   101   102    96  
   97    98    99   100  
   98    99  
   99  
    0  
  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   0.167500   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5500   0.0760  -0.552400   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   65   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   66   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   93   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   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    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   317.000  1.510
   33    38   317.000  1.510
   33    39   268.000  1.529
   37    43   549.000  1.340
   37    51   380.000  1.444
   43    44   340.000  1.080
   43    47   380.000  1.444
   47    48   340.000  1.080
   47    49   549.000  1.340
   49    50   317.000  1.510
   49    69   317.000  1.510
   50    51   317.000  1.510
   50    52   268.000  1.529
   50    55   268.000  1.529
   51    59   549.000  1.340
   59    60   340.000  1.080
   59    64   465.000  1.376
   64    65   745.000  1.250
   64    38   465.000  1.376
   38    45   510.000  1.338
   45    46   553.000  0.945
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    66   268.000  1.529
   66    67   268.000  1.529
   66    69   268.000  1.529
   66    70   268.000  1.529
   67    68   340.000  1.090
   67    74   268.000  1.529
   67    92   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    81   268.000  1.529
   81    82   340.000  1.090
   81    83   317.000  1.522
   81    85   268.000  1.529
   83    84   570.000  1.229
   83    89   317.000  1.522
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   268.000  1.529
   92    93   268.000  1.529
   92    96   268.000  1.529
   93    94   340.000  1.090
   93    95   340.000  1.090
   93   100   268.000  1.529
  100   101   340.000  1.090
  100   102   340.000  1.090
  100    69   268.000  1.529
   69    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   340.000  1.090
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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    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  112.20000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    37    43    70.00000  124.00000
   33    37    51    70.00000  124.00000
   33    38    64    70.00000  124.00000
   33    38    45    90.00000  109.34000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    35.00000  120.00000
   37    43    47    70.00000  123.01800
   37    51    50    70.00000  124.00000
   37    51    59    70.00000  123.01800
   43    47    48    35.00000  120.00000
   43    47    49    70.00000  123.01800
   47    43    44    35.00000  120.00000
   47    49    50    70.00000  124.00000
   47    49    69    70.00000  124.00000
   49    47    48    35.00000  120.00000
   49    50    51    70.00000  110.12100
   49    50    52    70.00000  112.02700
   49    50    55    70.00000  112.02700
   49    69    66    70.00000  112.02700
   49    69   100    70.00000  112.02700
   49    69    77    70.00000  112.02700
   50    51    59    70.00000  124.00000
   50    52    53    37.50000  110.70000
   50    52    54    37.50000  110.70000
   50    52    61    58.35000  112.70000
   50    55    56    37.50000  110.70000
   50    55    57    37.50000  110.70000
   50    55    58    37.50000  110.70000
   51    37    43    70.00000  123.01800
   51    59    60    35.00000  120.00000
   51    59    64    70.00000  117.34000
   59    64    65    65.00000  137.10300
   59    64    38    70.00000  123.01800
   64    59    60    40.00000  120.50800
   64    38    45    80.00000  121.38400
   38    33    37    70.00000  110.12100
   38    64    65    65.00000  137.10300
   38    45    46    70.00000  107.45700
   52    50    51    70.00000  112.02700
   52    61    62    37.50000  110.70000
   52    61    63    37.50000  110.70000
   52    61    66    58.35000  112.70000
   54    52    53    33.00000  107.80000
   61    52    53    37.50000  110.70000
   61    52    54    37.50000  110.70000
   61    66    67    58.35000  112.70000
   61    66    69    58.35000  112.70000
   61    66    70    58.35000  112.70000
   63    61    62    33.00000  107.80000
   66    61    62    37.50000  110.70000
   66    61    63    37.50000  110.70000
   66    67    68    37.50000  110.70000
   66    67    74    58.35000  112.70000
   66    67    92    58.35000  112.70000
   66    69   100    58.35000  112.70000
   66    69    77    58.35000  112.70000
   66    70    71    37.50000  110.70000
   66    70    72    37.50000  110.70000
   66    70    73    37.50000  110.70000
   67    74    75    37.50000  110.70000
   67    74    76    37.50000  110.70000
   67    74    81    58.35000  112.70000
   67    92    89    58.35000  112.70000
   67    92    93    58.35000  112.70000
   67    92    96    58.35000  112.70000
   74    67    68    37.50000  110.70000
   74    81    82    37.50000  110.70000
   74    81    83    63.00000  111.10000
   74    81    85    58.35000  112.70000
   76    74    75    33.00000  107.80000
   81    74    75    37.50000  110.70000
   81    74    76    37.50000  110.70000
   81    83    84    80.00000  120.40000
   81    83    89    70.00000  116.00000
   81    85    86    37.50000  110.70000
   81    85    87    37.50000  110.70000
   81    85    88    37.50000  110.70000
   83    81    82    35.00000  109.50000
   83    89    90    35.00000  109.50000
   83    89    91    35.00000  109.50000
   83    89    92    63.00000  111.10000
   89    83    84    80.00000  120.40000
   89    92    93    58.35000  112.70000
   89    92    96    58.35000  112.70000
   91    89    90    33.00000  107.80000
   92    67    68    37.50000  110.70000
   92    67    74    58.35000  112.70000
   92    89    90    37.50000  110.70000
   92    89    91    37.50000  110.70000
   92    93    94    37.50000  110.70000
   92    93    95    37.50000  110.70000
   92    93   100    58.35000  112.70000
   92    96    97    37.50000  110.70000
   92    96    98    37.50000  110.70000
   92    96    99    37.50000  110.70000
   93   100   101    37.50000  110.70000
   93   100   102    37.50000  110.70000
   93   100    69    58.35000  112.70000
   95    93    94    33.00000  107.80000
  100    93    94    37.50000  110.70000
  100    93    95    37.50000  110.70000
  100    69    77    58.35000  112.70000
  102   100   101    33.00000  107.80000
   69    49    50    65.00000  117.92700
   69    66    67    58.35000  112.70000
   69   100   101    37.50000  110.70000
   69   100   102    37.50000  110.70000
   69    77    78    37.50000  110.70000
   69    77    79    37.50000  110.70000
   69    77    80    37.50000  110.70000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   96    92    93    58.35000  112.70000
   98    96    97    33.00000  107.80000
   99    96    97    33.00000  107.80000
   99    96    98    33.00000  107.80000
   85    81    82    37.50000  110.70000
   85    81    83    63.00000  111.10000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   70    66    67    58.35000  112.70000
   70    66    69    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   55    50    51    70.00000  112.02700
   55    50    52    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
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   69    66    70    71   0.15000  1.0 3.0
   69    66    70    72   0.15000  1.0 3.0
   69    66    70    73   0.15000  1.0 3.0
   96    92    93    94   0.15000  1.0 3.0
   96    92    93    95   0.15000  1.0 3.0
   96    92    93   100   0.56750  1.0 1.0
   96    92    93   100  -0.07550 -1.0 2.0
   96    92    93   100   0.20000  1.0 3.0
   85    81    83    84   0.30150 -1.0 2.0
   85    81    83    89   0.60050  1.0 1.0
   85    81    83    89   0.05600 -1.0 2.0
   85    81    83    89   0.26150  1.0 3.0
   70    66    67    68   0.15000  1.0 3.0
   70    66    67    74   0.56750  1.0 1.0
   70    66    67    74  -0.07550 -1.0 2.0
   70    66    67    74   0.20000  1.0 3.0
   70    66    67    92   0.56750  1.0 1.0
   70    66    67    92  -0.07550 -1.0 2.0
   70    66    67    92   0.20000  1.0 3.0
   70    66    69    49   0.34400  1.0 1.0
   70    66    69    49   0.09450 -1.0 2.0
   70    66    69    49   0.11100  1.0 3.0
   70    66    69   100   0.56750  1.0 1.0
   70    66    69   100  -0.07550 -1.0 2.0
   70    66    69   100   0.20000  1.0 3.0
   70    66    69    77   0.56750  1.0 1.0
   70    66    69    77  -0.07550 -1.0 2.0
   70    66    69    77   0.20000  1.0 3.0
   55    50    51    37   0.98200  1.0 1.0
   55    50    51    37  -0.11900 -1.0 2.0
   55    50    51    37   0.24250  1.0 3.0
   55    50    51    59   0.09850  1.0 1.0
   55    50    51    59   0.15250 -1.0 2.0
   55    50    51    59  -0.50650  1.0 3.0
   55    50    52    53   0.15000  1.0 3.0
   55    50    52    54   0.15000  1.0 3.0
   55    50    52    61   0.56750  1.0 1.0
   55    50    52    61  -0.07550 -1.0 2.0
   55    50    52    61   0.20000  1.0 3.0
   39    33    37    43   0.09850  1.0 1.0
   39    33    37    43   0.15250 -1.0 2.0
   39    33    37    43  -0.50650  1.0 3.0
   39    33    37    51   0.98200  1.0 1.0
   39    33    37    51  -0.11900 -1.0 2.0
   39    33    37    51   0.24250  1.0 3.0
   39    33    38    64   0.09850  1.0 1.0
   39    33    38    64   0.15250 -1.0 2.0
   39    33    38    64  -0.50650  1.0 3.0
   39    33    38    45   0.09700  1.0 1.0
   39    33    38    45   0.15600 -1.0 2.0
   39    33    38    45  -0.50800  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
   33    51    37    43   1.10000 -1.0 2.0
   47    44    43    37   1.10000 -1.0 2.0
   43    48    47    49   1.10000 -1.0 2.0
   50    69    49    47   1.10000 -1.0 2.0
   37    50    51    59   1.10000 -1.0 2.0
   64    60    59    51   1.10000 -1.0 2.0
   59    65    64    38   1.10000 -1.0 2.0
   33    45    38    64   1.10000 -1.0 2.0
   81    89    83    84  10.50000 -1.0 2.0
END
