* LIGAND DATABASE FILE (OPLS2005)
*
001     101   105    199    332     602
    1     0 S   NP   _N1_     1    28.71609    96.12899   -22.82439
    2     1 S   H    _HN1     2     1.02787   100.23430   -91.09559
    3     1 S   H    _H1_     3     1.02949    74.20535    15.26962
    4     1 S   H    _H2_     4     1.02828    38.51978   162.97468
    5     1 S   CT   _CA1     5     1.50115   142.72415   118.36499
    6     5 S   HC   _HA1     6     1.09572   105.18759    87.13398
    7     5 S   CO3  _C1_     7     1.53786   112.48228   -33.09923
    8     7 S   O2Z  _O11     8     1.26373   115.00577   -42.06316
    9     7 S   O2Z  _O12     9     1.26240   114.95018   137.06215
   10     5 S   CT   _CB1    10     1.53076   107.41942  -154.87044
   11    10 S   HC   HB11    11     1.09834   109.37113   -49.53300
   12    10 S   HC   HB12    12     1.09812   110.44829    67.07804
   13    10 S   CT   _CG1    13     1.52993   112.61029  -170.49821
   14    13 S   HC   HG11    14     1.09579   110.65408   -65.99555
   15    13 S   HC   HG12    15     1.09670   109.76486    53.24125
   16    13 S   C    _CD1    16     1.51799   112.19029   173.71023
   17    16 S   O    _OE1    17     1.22733   123.27153     8.15155
   18    16 S   N    _N2_    18     1.38654   111.69591  -171.96715
   19    18 S   H    _HN2    19     1.01575   118.93572     1.69812
   20    18 S   CT1  _CA2    20     1.46213   123.39040   177.31110
   21    20 S   HC   _HA2    21     1.09740   109.37672     3.68642
   22    20 S   C    _C2_    22     1.53592   108.53084  -111.77213
   23    22 S   O    _O2_    23     1.23059   122.29676  -147.31357
   24    20 S   CT   _CB2    32     1.53533   111.68651   125.72220
   25    24 S   HC   HB21    33     1.09520   109.43528    56.03993
   26    24 S   HC   HB22    34     1.09287   109.53057   174.87577
   27    22 S   N    _N3_    24     1.38330   113.71166    40.08129
   28    27 S   H    _HN3    25     1.01576   119.60020    -3.15672
   29    24 S   S    _SG2    35     1.83093   111.03664   -64.20071
   30    27 S   CT   _CA3    26     1.45286   123.23059   177.20754
   31    30 S   HC   HA31    27     1.09548   107.50147   -64.91864
   32    30 S   HC   HA32    28     1.09556   108.00005    51.52791
   33    29 S   CT   _C25    36     1.91779   103.55168  -170.37863
   34    30 S   CO3  _C3_    29     1.52965   114.06674   173.53562
   35    34 S   O2Z  _O31    30     1.26378   116.07003    -0.55355
   36    34 S   O2Z  _O32    31     1.26426   114.41528   179.50822
   37    33 S   CT   _C13    37     1.54603   103.64140    76.12062
   38    37 S   HC   _H42    38     1.09603   111.30409   -48.70082
   39    37 S   HC   _H43    39     1.09116   112.39820  -165.27541
   40    33 S   CT   _C15    54     1.54394   107.75461   -41.51364
   41    40 S   HC   _H46    55     1.09643   110.62803    66.89168
   42    40 S   HC   _H47    56     1.09804   109.98013   -50.63785
   43    37 S   CO4  _C10    40     1.51593   113.26871    72.16997
   44    43 S   O    _O28    41     1.23047   121.37047  -156.73949
   45    43 S   CM   _C8_    42     1.48059   119.26017    25.86246
   46    45 S   HC   _H40    43     1.08410   117.37840   178.04846
   47    45 S   CM   _C9_    44     1.33810   121.35341     0.35827
   48    47 S   HC   _H41    45     1.08880   117.17238   176.91092
   49    33 S   CT   _C22    46     1.61740   111.32208  -162.99650
   50    49 S   CT   _C26    47     1.63172   112.91806   166.68381
   51    50 S   Cl   CL35    48     1.85551   108.90103    69.43075
   52    49 S   CT   _C28    98     1.56279   109.24012    44.01779
   53    52 S   HC   _H59    99     1.09322   112.21659    68.46782
   54    52 S   HC   _H60   100     1.09288   113.58374   -53.43808
   55    52 S   HC   _H61   101     1.09273   112.42274  -168.75083
   56    50 S   CT   _C18    49     1.57098   110.19298   -49.31583
   57    56 S   HC   _H52    50     1.09513   108.39690   -62.42161
   58    50 S   CT   _C21    69     1.57979   116.55598  -175.03343
   59    58 S   HC   _H55    70     1.09733   108.91099   -64.27176
   60    56 S   CT   _C14    51     1.53250   111.90070    54.23384
   61    60 S   HC   _H44    52     1.09689   109.60685  -177.27581
   62    60 S   HC   _H45    53     1.09532   111.24949    66.13096
   63    56 S   CT   _C19    57     1.54374   111.18430   179.35109
   64    63 S   HC   _H53    58     1.09878   106.56597   -60.78847
   65    58 S   OH   _O34    71     1.42155   112.68307    52.71932
   66    65 S   HO   _H67    72     0.97258   108.00788  -172.68547
   67    63 S   CT   _C16    59     1.52418   118.75647  -178.05298
   68    67 S   HC   _H48    60     1.09640   111.10037   -43.23831
   69    67 S   HC   _H49    61     1.09542   111.34733    76.31578
   70    67 S   CT   _C20    62     1.55242   104.62661  -161.99642
   71    70 S   HC   _H54    63     1.09759   106.38283   123.00249
   72    70 S   CT   _C23    64     1.58175   106.57717     5.85290
   73    70 S   CT   _C27    94     1.52490   110.85312  -121.97903
   74    73 S   HC   _H56    95     1.09428   111.99295    60.98575
   75    73 S   HC   _H57    96     1.09590   110.21871   -58.30426
   76    73 S   HC   _H58    97     1.09341   111.02470  -176.78709
   77    63 S   CT   _C24    65     1.54924   114.14413    59.24142
   78    72 S   CO4  _C12    77     1.55127   112.73050   143.59161
   79    78 S   O    _O30    78     1.23308   121.21056    -2.09480
   80    72 S   OS   _O35    83     1.45022   110.73483   -89.64584
   81    77 S   CT   _C17    66     1.55097   107.14443   -58.73876
   82    81 S   HC   _H50    67     1.09509   110.41659   -68.14169
   83    81 S   HC   _H51    68     1.09574   109.33061   175.69925
   84    77 S   CT   _C29    73     1.55667   112.91071    62.87787
   85    84 S   HC   _H62    74     1.09394   112.97889    70.63152
   86    84 S   HC   _H63    75     1.09132   113.23868   -49.43391
   87    84 S   HC   _H64    76     1.09543   110.77073  -169.73210
   88    78 S   CT   _C30    79     1.51553   117.55409  -179.77445
   89    88 S   Cl   CL36    80     1.77233   109.91020  -147.23017
   90    88 S   HC   _H65    81     1.09195   109.66510    93.39667
   91    88 S   HC   _H66    82     1.09102   111.29211   -28.42194
   92    80 S   CO4  _C11    84     1.36281   123.10506   -85.12458
   93    92 S   O    _O29    85     1.22316   125.73968    -0.96388
   94    92 S   C5A  _C7_    86     1.43711   109.12591   179.28399
   95    94 S   C5BC _C5_    87     1.38262   132.94540    -0.71217
   96    95 S   HA   _H38    88     1.08090   126.28813    -0.03956
   97    95 S   C5BC _C4_    89     1.41522   106.70222  -180.00000
   98    97 S   HA   _H37    90     1.08048   127.60851   179.98022
   99    97 S   C5A  _C6_    91     1.37380   106.08421     0.00000
  100    99 S   HA   _H39    92     1.08035   133.80334   180.00000
  101    94 S   OA   _O33    93     1.36750   117.62699   179.31844
  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
  23   2   1   1  14   6   5  13   6   5   6   3   6   3  10   3
  14  21   9   5   2   1   1  17   8  11   6   6   2   1  18   8
   5   1  14   6   5  14   8  22   6   2   1   1  12   9   5   8
   6   2   1   3   2   1   1   3   2   1   1   7   3   7   6   4
   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    49    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    47    49    50    60    40    41    42    52  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    44    45    47    48    49    50    51    56    60    61    62    40    41    42    58    52    53    54    55  
   35    36  
   36  
    0  
   38    39    43    44    45    46    47    49    50    60    40    41    42    52  
   39    43    44    45    49    40  
   43    44    45    49    40  
   41    42    63    52    43    47    49    50    56    57    60    61    62  
   42    49    56    60    61    62  
   49    56    60    61    62  
   44    45    46    47    48    49  
   45    46    47  
   46    47    48    49    50    52  
   47    48    49  
   48    49    50    51    56    58    52    53    54    55  
   49    50    52  
   50    51    56    57    60    63    81    58    59    65    52    53    54    55  
   51    56    57    60    61    62    63    64    67    77    81    82    83    58    59    65    66    52    53    54    55  
   56    57    60    63    81    58    59    65    52  
   53    54    55    56    58  
   54    55  
   55  
    0  
   57    60    61    62    63    64    67    68    69    70    72    77    81    58    59    65    84  
   60    61    62    63    64    67    77    58  
   59    65    66    84    60    63    72    77    81    82    83  
   65    66    77    81    82    83  
   61    62    63    64    67    77  
   62    63  
   63  
   64    67    68    69    70    71    72    77    81    82    83    84    85    86    87    78    80    73  
   67    68    69    70    72    77    81    84  
   66    77    81    82    83  
   81  
   68    69    70    71    72    77    81    84    78    80    73    74    75    76  
   69    70    71    72    77    73  
   70    71    72    77    73  
   71    72    77    81    84    78    79    88    80    92    73    74    75    76  
   72    77    78    80    73    74    75    76  
   77    81    82    83    84    85    86    87    78    79    88    89    90    91    80    92    93    94    73    74    75    76  
   74    75    76    77    78    80  
   75    76  
   76  
    0  
   81    82    83    84    85    86    87    78    79    88    80    92  
   79    88    89    90    91    80    92    81    84  
   88    89    90    91    80  
   92    93    94    95   101    81    84    88  
   82    83    84    85    86    87  
   83    84  
   84  
   85    86    87  
   86    87  
   87  
    0  
   89    90    91  
   90    91  
   91  
    0  
   93    94    95    96    97    99   101  
   94    95   101  
   95    96    97    98    99   100   101  
   96    97    98    99   100   101  
   97    98    99   101  
   98    99   100   101  
   99   100   101  
  100   101  
  101  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   52   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   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   0.205000   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  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5000   0.0660   0.298000   1.9750   1.7500   0.005000000  -0.741685710
   73   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   78   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   80   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   81   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660  -0.006000   1.9750   1.7500   0.005000000  -0.741685710
   89   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   90   2.4200   0.0150   0.103000   1.3810   1.2100   0.008598240   0.268726247
   91   2.4200   0.0150   0.103000   1.3810   1.2100   0.008598240   0.268726247
   92   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   93   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   94   3.5500   0.0700   0.008000   2.0020   1.7750   0.001000000  -0.843144165
   95   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   96   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   97   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   98   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   99   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
  100   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
  101   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
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    49   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   317.000  1.522
   43    44   570.000  1.229
   43    45   320.000  1.462
   45    46   340.000  1.080
   45    47   549.000  1.340
   47    48   340.000  1.080
   47    49   317.000  1.510
   49    50   268.000  1.529
   49    52   268.000  1.529
   50    51   245.000  1.781
   50    56   268.000  1.529
   50    58   268.000  1.529
   56    57   340.000  1.090
   56    60   268.000  1.529
   56    63   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    40   268.000  1.529
   40    41   340.000  1.090
   40    42   340.000  1.090
   63    64   340.000  1.090
   63    67   268.000  1.529
   63    77   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   268.000  1.529
   70    71   340.000  1.090
   70    72   268.000  1.529
   70    73   268.000  1.529
   72    77   268.000  1.529
   72    78   317.000  1.522
   72    80   320.000  1.410
   77    81   268.000  1.529
   77    84   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    58   268.000  1.529
   58    59   340.000  1.090
   58    65   320.000  1.410
   65    66   553.000  0.945
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   78    79   570.000  1.229
   78    88   317.000  1.522
   88    89   245.000  1.781
   88    90   340.000  1.090
   88    91   340.000  1.090
   80    92   214.000  1.327
   92    93   570.000  1.229
   92    94   335.000  1.450
   94    95   546.000  1.367
   94   101   340.000  1.360
   95    96   367.000  1.080
   95    97   469.000  1.424
   97    98   367.000  1.080
   97    99   546.000  1.367
   99   100   367.000  1.080
   99   101   340.000  1.360
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   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  111.63000
   29    33    49    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    63.00000  111.10000
   33    49    47    70.00000  112.02700
   33    49    50    58.35000  112.70000
   33    49    52    58.35000  112.70000
   33    40    60    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   37    43    44    80.00000  120.40000
   37    43    45    65.00000  118.62400
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    45    46    40.00000  117.72500
   43    45    47    65.00000  118.96000
   45    43    44    80.00000  123.72100
   45    47    48    35.00000  120.00000
   45    47    49    70.00000  124.00000
   47    45    46    35.00000  120.00000
   47    49    50    70.00000  112.02700
   47    49    52    70.00000  112.02700
   49    33    37    58.35000  112.70000
   49    47    48    35.00000  117.00000
   49    50    51    69.00000  109.80000
   49    50    56    58.35000  112.70000
   49    50    58    58.35000  112.70000
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    55    37.50000  110.70000
   50    56    57    37.50000  110.70000
   50    56    60    58.35000  112.70000
   50    56    63    58.35000  112.70000
   50    58    81    58.35000  112.70000
   50    58    59    37.50000  110.70000
   50    58    65    50.00000  109.50000
   56    50    51    69.00000  109.80000
   56    60    61    37.50000  110.70000
   56    60    62    37.50000  110.70000
   56    60    40    58.35000  112.70000
   56    63    64    37.50000  110.70000
   56    63    67    58.35000  112.70000
   56    63    77    58.35000  112.70000
   60    56    57    37.50000  110.70000
   60    40    41    37.50000  110.70000
   60    40    42    37.50000  110.70000
   62    60    61    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    49    58.35000  112.70000
   40    60    61    37.50000  110.70000
   40    60    62    37.50000  110.70000
   42    40    41    33.00000  107.80000
   63    56    57    37.50000  110.70000
   63    56    60    58.35000  112.70000
   63    67    68    37.50000  110.70000
   63    67    69    37.50000  110.70000
   63    67    70    58.35000  112.70000
   63    77    72    58.35000  112.70000
   63    77    81    58.35000  112.70000
   63    77    84    58.35000  112.70000
   67    63    64    37.50000  110.70000
   67    70    71    37.50000  110.70000
   67    70    72    58.35000  112.70000
   67    70    73    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    37.50000  110.70000
   70    67    69    37.50000  110.70000
   70    72    77    58.35000  112.70000
   70    72    78    63.00000  111.10000
   70    72    80    50.00000  109.50000
   70    73    74    37.50000  110.70000
   70    73    75    37.50000  110.70000
   70    73    76    37.50000  110.70000
   72    70    71    37.50000  110.70000
   72    77    81    58.35000  112.70000
   72    77    84    58.35000  112.70000
   72    78    79    80.00000  120.40000
   72    78    88    70.00000  116.00000
   72    80    92    83.00000  116.90000
   77    63    64    37.50000  110.70000
   77    63    67    58.35000  112.70000
   77    81    82    37.50000  110.70000
   77    81    83    37.50000  110.70000
   77    81    58    58.35000  112.70000
   77    84    85    37.50000  110.70000
   77    84    86    37.50000  110.70000
   77    84    87    37.50000  110.70000
   81    58    59    37.50000  110.70000
   81    58    65    50.00000  109.50000
   83    81    82    33.00000  107.80000
   58    50    51    69.00000  109.80000
   58    50    56    58.35000  112.70000
   58    81    82    37.50000  110.70000
   58    81    83    37.50000  110.70000
   58    65    66    55.00000  108.50000
   65    58    59    35.00000  109.50000
   84    77    81    58.35000  112.70000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   78    72    77    63.00000  111.10000
   78    88    89    70.00000  110.66000
   78    88    90    35.00000  109.50000
   78    88    91    35.00000  109.50000
   88    78    79    80.00000  120.40000
   90    88    89    51.00000  107.60000
   91    88    89    51.00000  107.60000
   91    88    90    33.00000  107.80000
   80    72    77    50.00000  109.50000
   80    72    78    90.00000  108.74100
   80    92    93    83.00000  123.40000
   80    92    94    81.00000  111.40000
   92    94    95    55.00000  130.80000
   92    94   101    80.00000  119.06000
   94    92    93    80.00000  122.40000
   94    95    96    35.00000  125.70000
   94    95    97    70.00000  107.30000
   94   101    99    70.00000  106.50000
   95    97    98    35.00000  127.50000
   95    97    99    70.00000  107.30000
   97    95    96    35.00000  127.50000
   97    99   100    35.00000  132.10000
   97    99   101    70.00000  110.60000
   99    97    98    35.00000  125.70000
  101    94    95    70.00000  110.60000
  101    99   100    35.00000  113.40000
   73    70    71    37.50000  110.70000
   73    70    72    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   52    49    50    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    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
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
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   78    72    77    84  -0.18200 -1.0 2.0
   78    72    77    84   0.29450  1.0 3.0
   78    72    80    92  -1.80650  1.0 1.0
   78    72    80    92   0.63900 -1.0 2.0
   78    72    80    92   0.03650  1.0 3.0
   79    78    88    89   0.30150 -1.0 2.0
   79    78    88    90   0.00000  1.0 1.0
   79    78    88    91   0.00000  1.0 1.0
   80    72    77    63   0.62750  1.0 1.0
   80    72    77    63  -0.30950 -1.0 2.0
   80    72    77    63   0.27300  1.0 3.0
   80    72    77    81   0.62750  1.0 1.0
   80    72    77    81  -0.30950 -1.0 2.0
   80    72    77    81   0.27300  1.0 3.0
   80    72    77    84   0.62750  1.0 1.0
   80    72    77    84  -0.30950 -1.0 2.0
   80    72    77    84   0.27300  1.0 3.0
   80    72    78    79   0.30150 -1.0 2.0
   80    72    78    88   0.55300  1.0 1.0
   80    72    78    88   1.25850 -1.0 2.0
   80    72    78    88  -0.23600  1.0 3.0
   80    92    94    95   0.98750 -1.0 2.0
   80    92    94   101   0.56600 -1.0 2.0
   92    94    95    96   3.62500 -1.0 2.0
   92    94    95    97   3.62500 -1.0 2.0
   92    94   101    99   3.62500 -1.0 2.0
   93    92    94    95   1.05000 -1.0 2.0
   93    92    94   101   1.05000 -1.0 2.0
   94    95    97    98   3.62500 -1.0 2.0
   94    95   -97    99   3.62500 -1.0 2.0
   95    94  -101    99   3.62500 -1.0 2.0
   95    97    99   100   3.62500 -1.0 2.0
   95    97   -99   101   3.62500 -1.0 2.0
   96    95    97    98   3.62500 -1.0 2.0
   96    95    97    99   3.62500 -1.0 2.0
   97    99  -101    94   3.62500 -1.0 2.0
   98    97    99   100   3.62500 -1.0 2.0
   98    97    99   101   3.62500 -1.0 2.0
  100    99   101    94   3.62500 -1.0 2.0
  101    94    95    96   3.62500 -1.0 2.0
  101    94   -95    97   3.62500 -1.0 2.0
   73    70    72    77   0.56750  1.0 1.0
   73    70    72    77  -0.07550 -1.0 2.0
   73    70    72    77   0.20000  1.0 3.0
   73    70    72    78  -0.95700  1.0 1.0
   73    70    72    78  -0.18200 -1.0 2.0
   73    70    72    78   0.29450  1.0 3.0
   73    70    72    80   0.62750  1.0 1.0
   73    70    72    80  -0.30950 -1.0 2.0
   73    70    72    80   0.27300  1.0 3.0
   52    49    50    51   0.35600  1.0 1.0
   52    49    50    51  -0.14650 -1.0 2.0
   52    49    50    51   0.33350  1.0 3.0
   52    49    50    56   0.56750  1.0 1.0
   52    49    50    56  -0.07550 -1.0 2.0
   52    49    50    56   0.20000  1.0 3.0
   52    49    50    58   0.56750  1.0 1.0
   52    49    50    58  -0.07550 -1.0 2.0
   52    49    50    58   0.20000  1.0 3.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   37    45    43    44  10.50000 -1.0 2.0
   43    46    45    47   1.10000 -1.0 2.0
   49    48    47    45   1.10000 -1.0 2.0
   72    88    78    79  10.50000 -1.0 2.0
   80    94    92    93  10.50000 -1.0 2.0
   95   101    94    92   4.00000 -1.0 2.0
   97    96    95    94   1.10000 -1.0 2.0
   99    98    97    95   1.10000 -1.0 2.0
  101   100    99    97   1.10000 -1.0 2.0
END
