* LIGAND DATABASE FILE (OPLS2005)
*
001     111   114    220    352     662
    1     0 S   NP   _N1_     1    28.08110    96.81325   -22.71584
    2     1 S   H    _HN1     2     1.02957    75.83788     0.08847
    3     1 S   H    _H1_     3     1.02835    36.55923   148.08113
    4     1 S   H    _H2_     4     1.02776   100.74867  -106.31158
    5     1 S   CT   _CA1     5     1.50129   141.29306   105.14239
    6     5 S   HC   _HA1     6     1.09574   105.21673    84.89056
    7     5 S   CO3  _C1_     7     1.53789   112.36091   -35.30336
    8     7 S   O2Z  _O11     8     1.26366   114.99675   -43.91026
    9     7 S   O2Z  _O12     9     1.26236   114.93308   135.18842
   10     5 S   CT   _CB1    10     1.53096   107.42176  -157.19687
   11    10 S   HC   HB11    11     1.09826   109.34098   -50.47235
   12    10 S   HC   HB12    12     1.09816   110.42425    66.08735
   13    10 S   CT   _CG1    13     1.53014   112.66567  -171.54172
   14    13 S   HC   HG11    14     1.09595   110.48791   -64.25544
   15    13 S   HC   HG12    15     1.09656   109.92362    54.94506
   16    13 S   C    _CD1    16     1.51839   112.32043   175.31885
   17    16 S   O    _OE1    17     1.22746   123.29713     0.19782
   18    16 S   N    _N2_    18     1.38561   111.70207  -179.87028
   19    18 S   H    _HN2    19     1.01562   118.98834     4.72497
   20    18 S   CT1  _CA2    20     1.45844   122.91606   177.86769
   21    20 S   HC   _HA2    21     1.09727   109.00730    22.25081
   22    20 S   C    _C2_    22     1.52926   106.91628   -94.79981
   23    22 S   O    _O2_    23     1.22982   123.00451   -26.77836
   24    20 S   CT   _CB2    32     1.53384   112.27381   145.37507
   25    24 S   HC   HB21    33     1.09533   109.59061    54.70368
   26    24 S   HC   HB22    34     1.09292   109.58507   173.45042
   27    22 S   N    _N3_    24     1.38485   112.61009   156.03935
   28    27 S   H    _HN3    25     1.01658   120.40369    -2.35035
   29    24 S   S    _SG2    35     1.82866   110.69228   -65.30679
   30    27 S   CT   _CA3    26     1.45366   122.43542   178.54223
   31    30 S   HC   HA31    27     1.09568   107.84269   -55.17660
   32    30 S   HC   HA32    28     1.09563   107.57554    61.15379
   33    29 S   CT   _C19    36     1.89461   103.33764  -169.24992
   34    30 S   CO3  _C3_    29     1.52881   114.34718  -177.08342
   35    34 S   O2Z  _O31    30     1.26330   116.05309     0.84835
   36    34 S   O2Z  _O32    31     1.26439   114.41026  -179.20574
   37    33 S   CT   _C24    37     1.55038   106.33234    73.43502
   38    37 S   HC   _H28    38     1.09501   111.86765   -53.39147
   39    37 S   HC   _H29    39     1.09449   112.12652  -171.43815
   40    33 S   CT   _C18    56     1.54603   108.55194   -45.44987
   41    40 S   HC   _H22    57     1.09621   110.72325    64.36031
   42    40 S   HC   _H23    58     1.09732   110.39149   -53.25347
   43    37 S   CO4  _C23    40     1.51378   112.36993    68.91636
   44    43 S   O    _O35    41     1.23047   121.48522  -134.62408
   45    43 S   CT   _C22    42     1.50776   116.79994    50.90246
   46    45 S   HC   _H26    43     1.09413   108.48825    73.43548
   47    45 S   HC   _H27    44     1.09561   108.73282  -169.92040
   48    45 S   CT   _C21    45     1.52237   110.82003   -49.65172
   49    48 S   HC   _H24    46     1.09599   109.00461   176.52109
   50    48 S   HC   _H25    47     1.09772   108.14909   -70.32419
   51    33 S   CT   _C20    48     1.60375   110.90959  -166.30630
   52    51 S   CT   _C15    49     1.59680   109.05526   174.89297
   53    52 S   HC   _H5_    50     1.09807   106.54543    58.06756
   54    51 S   CT   _C25   108     1.55743   111.05503    52.77635
   55    54 S   HC   _H30   109     1.09250   112.70527    66.44793
   56    54 S   HC   _H31   110     1.09365   112.52740   -54.72881
   57    54 S   HC   _H32   111     1.09242   111.95000  -171.67258
   58    52 S   CT   _C16    51     1.55956   112.08059   -56.31455
   59    58 S   HC   _H6_    52     1.09412   109.81327   -64.59959
   60    52 S   CT   _C14    72     1.56200   116.64930   172.54210
   61    60 S   HC   _H4_    73     1.09550   108.76817   -61.38523
   62    58 S   CT   _C17    53     1.53375   111.19918    54.32066
   63    62 S   HC   _H20    54     1.09713   109.55289  -172.67946
   64    62 S   HC   _H21    55     1.09686   109.99607    71.41387
   65    58 S   CT   _C11    59     1.53949   109.01952   175.57331
   66    65 S   HC   _H3_    60     1.10267   105.95509   -59.52743
   67    60 S   OH   _O36    74     1.41860   112.00168    56.10391
   68    67 S   HO   _H33    75     0.97233   107.90710  -174.99171
   69    65 S   CT   _C10    61     1.52229   118.29671  -178.12487
   70    69 S   HC   _H16    62     1.09492   112.07176    76.18717
   71    69 S   HC   _H17    63     1.09585   111.52461   -44.41091
   72    69 S   CT   _C9_    64     1.53997   104.28304  -163.65416
   73    72 S   HC   _H14    65     1.09507   108.62405   132.23802
   74    72 S   HC   _H15    66     1.09484   108.98919  -111.38126
   75    72 S   CT   _C8_    67     1.56193   107.09718    10.06634
   76    65 S   CT   _C12    68     1.54658   114.28844    59.67462
   77    75 S   CO4  _C27    80     1.54633   113.46735   141.66736
   78    77 S   O    _O37    81     1.23274   121.65402    -6.59630
   79    75 S   OS   _O34    95     1.45038   109.00775   -95.77921
   80    76 S   CT   _C13    69     1.54569   106.56740   -60.82972
   81    80 S   HC   _H18    70     1.09688   110.11395   -65.12877
   82    80 S   HC   _H19    71     1.09498   109.81413   177.70186
   83    76 S   CT   _C26    76     1.55346   112.93227    61.17062
   84    83 S   HC   _H34    77     1.09496   112.50350    69.82713
   85    83 S   HC   _H35    78     1.09149   113.24656   -50.38223
   86    83 S   HC   _H36    79     1.09552   110.75724  -170.61887
   87    77 S   CT   _C28    82     1.52044   117.52722   174.40231
   88    87 S   HC   _H37    83     1.09322   108.73112    83.97440
   89    87 S   HC   _H38    84     1.09322   110.09691   -37.72633
   90    79 S   CO4  _C7_    96     1.36459   120.41460   -69.43041
   91    90 S   O    _O33    97     1.22280   126.11944     2.19071
   92    87 S   OS   _O38    85     1.42968   108.31763  -157.44819
   93    90 S   CT   _C6_    98     1.51096   109.26621  -178.37924
   94    93 S   HC   _H12    99     1.09538   107.38231   -91.86476
   95    93 S   HC   _H13   100     1.09628   109.56787    25.13865
   96    92 S   CO4  _C29    86     1.36505   115.28091   174.38092
   97    96 S   O    _O39    87     1.22317   125.69523     0.77481
   98    93 S   CT   _C5_   101     1.52691   112.43426   146.93055
   99    98 S   HC   _H10   102     1.09612   110.48876    54.34462
  100    98 S   HC   _H11   103     1.09628   108.73160   171.48263
  101    96 S   CT   _C30    88     1.51014   108.97014  -179.21715
  102   101 S   HC   _H39    89     1.09506   108.45600   -60.34595
  103   101 S   HC   _H40    90     1.09518   108.44858    58.07075
  104    98 S   CT   _C4_   104     1.52290   112.57251   -68.11495
  105   104 S   HC   _H7_   105     1.09467   111.01839   -57.50625
  106   104 S   HC   _H8_   106     1.09428   111.46748    63.32082
  107   104 S   HC   _H9_   107     1.09462   110.10730  -177.07946
  108   101 S   CT   _C31    91     1.51858   112.07852   178.78244
  109   108 S   HC   _H41    92     1.09511   111.03666   -59.81526
  110   108 S   HC   _H42    93     1.09508   111.04773    60.10800
  111   108 S   HC   _H43    94     1.09431   110.39222  -179.85463
  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
  24   2   1   1  15   6   5  13   6   5   8   4   8   5   4  11
   4   3  14  21   9   5   2   1   1  17   8  11   6   6   2   1
  18   8   5   1  11   6   5  11   5   4  18  12  10   5   9   6
   2   1   3   2   1   1   6   3   2   8   4   6   9   5   4   8
   4   6   5   4   6   5   4   3   2   1   1   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    51    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    48    51    52    62    40    41    42    54  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    44    45    48    49    50    51    52    53    58    62    63    64    40    41    42    60    54    55    56    57  
   35    36  
   36  
    0  
   38    39    43    44    45    46    47    48    51    52    62    40    41    42    54  
   39    43    44    45    51    40  
   43    44    45    51    40  
   41    42    65    54    43    48    51    52    58    59    62    63    64  
   42    51    58    62    63    64  
   51    58    62    63    64  
   44    45    46    47    48    49    50    51  
   45    46    47    48  
   46    47    48    49    50    51    52    54  
   47    48    49    50    51  
   48    49    50    51  
   49    50    51    52    53    58    60    54    55    56    57  
   50    51    52    54  
   51    52    54  
   52    53    58    59    62    65    80    60    61    67    54    55    56    57  
   53    58    59    62    63    64    65    66    69    76    80    81    82    60    61    67    68    54    55    56    57  
   58    59    62    65    80    60    61    67    54  
   55    56    57    58    60  
   56    57  
   57  
    0  
   59    62    63    64    65    66    69    70    71    72    75    76    80    60    61    67    83  
   62    63    64    65    66    69    76    60  
   61    67    68    83    62    65    75    76    80    81    82  
   67    68    76    80    81    82  
   63    64    65    66    69    76  
   64    65  
   65  
   66    69    70    71    72    73    74    75    76    80    81    82    83    84    85    86    77    79  
   69    70    71    72    75    76    80    83  
   68    76    80    81    82  
   80  
   70    71    72    73    74    75    76    80    83    77    79  
   71    72    73    74    75    76  
   72    73    74    75    76  
   73    74    75    76    80    83    77    78    87    79    90  
   74    75    76    77    79  
   75    76    77    79  
   76    80    81    82    83    84    85    86    77    78    87    88    89    92    79    90    91    93  
   80    81    82    83    84    85    86    77    78    87    79    90  
   78    87    88    89    92    96    79    90    80    83  
   87    88    89    92    79  
   90    91    93    94    95    98    80    83    87  
   81    82    83    84    85    86  
   82    83  
   83  
   84    85    86  
   85    86  
   86  
    0  
   88    89    92    96    97   101  
   89    92    96  
   92    96  
   91    93    94    95    98    99   100   104  
   93    94    95    98  
   96    97   101   102   103   108  
   94    95    98    99   100   104   105   106   107  
   95    98    99   100   104  
   98    99   100   104  
   97   101   102   103   108   109   110   111  
  101   102   103   108  
   99   100   104   105   106   107  
  100   104   105   106   107  
  104   105   106   107  
  102   103   108   109   110   111  
  103   108   109   110   111  
  108   109   110   111  
  105   106   107  
  106   107  
  107  
    0  
  109   110   111  
  110   111  
  111  
    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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660   0.298000   1.9750   1.7500   0.005000000  -0.741685710
   76   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   77   3.7500   0.1050   0.374000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   79   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   80   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660   0.238000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   89   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   90   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   91   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   92   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   93   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   95   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   96   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   97   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   98   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  103   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  104   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  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   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   268.000  1.529
   33    51   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   317.000  1.522
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   268.000  1.529
   51    52   268.000  1.529
   51    54   268.000  1.529
   52    53   340.000  1.090
   52    58   268.000  1.529
   52    60   268.000  1.529
   58    59   340.000  1.090
   58    62   268.000  1.529
   58    65   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    40   268.000  1.529
   40    41   340.000  1.090
   40    42   340.000  1.090
   65    66   340.000  1.090
   65    69   268.000  1.529
   65    76   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   268.000  1.529
   75    76   268.000  1.529
   75    77   317.000  1.522
   75    79   320.000  1.410
   76    80   268.000  1.529
   76    83   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    60   268.000  1.529
   60    61   340.000  1.090
   60    67   320.000  1.410
   67    68   553.000  0.945
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   77    78   570.000  1.229
   77    87   317.000  1.522
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    92   320.000  1.410
   92    96   214.000  1.327
   96    97   570.000  1.229
   96   101   317.000  1.522
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   108   268.000  1.529
  108   109   340.000  1.090
  108   110   340.000  1.090
  108   111   340.000  1.090
   79    90   214.000  1.327
   90    91   570.000  1.229
   90    93   317.000  1.522
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    98   268.000  1.529
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   104   268.000  1.529
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   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    51    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    51    48    58.35000  112.70000
   33    51    52    58.35000  112.70000
   33    51    54    58.35000  112.70000
   33    40    62    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    70.00000  116.00000
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    45    46    35.00000  109.50000
   43    45    47    35.00000  109.50000
   43    45    48    63.00000  111.10000
   45    43    44    80.00000  120.40000
   45    48    49    37.50000  110.70000
   45    48    50    37.50000  110.70000
   45    48    51    58.35000  112.70000
   47    45    46    33.00000  107.80000
   48    45    46    37.50000  110.70000
   48    45    47    37.50000  110.70000
   48    51    52    58.35000  112.70000
   48    51    54    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    33    37    58.35000  112.70000
   51    48    49    37.50000  110.70000
   51    48    50    37.50000  110.70000
   51    52    53    37.50000  110.70000
   51    52    58    58.35000  112.70000
   51    52    60    58.35000  112.70000
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    57    37.50000  110.70000
   52    58    59    37.50000  110.70000
   52    58    62    58.35000  112.70000
   52    58    65    58.35000  112.70000
   52    60    80    58.35000  112.70000
   52    60    61    37.50000  110.70000
   52    60    67    50.00000  109.50000
   58    52    53    37.50000  110.70000
   58    62    63    37.50000  110.70000
   58    62    64    37.50000  110.70000
   58    62    40    58.35000  112.70000
   58    65    66    37.50000  110.70000
   58    65    69    58.35000  112.70000
   58    65    76    58.35000  112.70000
   62    58    59    37.50000  110.70000
   62    40    41    37.50000  110.70000
   62    40    42    37.50000  110.70000
   64    62    63    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    51    58.35000  112.70000
   40    62    63    37.50000  110.70000
   40    62    64    37.50000  110.70000
   42    40    41    33.00000  107.80000
   65    58    59    37.50000  110.70000
   65    58    62    58.35000  112.70000
   65    69    70    37.50000  110.70000
   65    69    71    37.50000  110.70000
   65    69    72    58.35000  112.70000
   65    76    75    58.35000  112.70000
   65    76    80    58.35000  112.70000
   65    76    83    58.35000  112.70000
   69    65    66    37.50000  110.70000
   69    72    73    37.50000  110.70000
   69    72    74    37.50000  110.70000
   69    72    75    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    37.50000  110.70000
   72    69    71    37.50000  110.70000
   72    75    76    58.35000  112.70000
   72    75    77    63.00000  111.10000
   72    75    79    50.00000  109.50000
   74    72    73    33.00000  107.80000
   75    72    73    37.50000  110.70000
   75    72    74    37.50000  110.70000
   75    76    80    58.35000  112.70000
   75    76    83    58.35000  112.70000
   75    77    78    80.00000  120.40000
   75    77    87    70.00000  116.00000
   75    79    90    83.00000  116.90000
   76    65    66    37.50000  110.70000
   76    65    69    58.35000  112.70000
   76    80    81    37.50000  110.70000
   76    80    82    37.50000  110.70000
   76    80    60    58.35000  112.70000
   76    83    84    37.50000  110.70000
   76    83    85    37.50000  110.70000
   76    83    86    37.50000  110.70000
   80    60    61    37.50000  110.70000
   80    60    67    50.00000  109.50000
   82    80    81    33.00000  107.80000
   60    52    53    37.50000  110.70000
   60    52    58    58.35000  112.70000
   60    80    81    37.50000  110.70000
   60    80    82    37.50000  110.70000
   60    67    68    55.00000  108.50000
   67    60    61    35.00000  109.50000
   83    76    80    58.35000  112.70000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   77    75    76    63.00000  111.10000
   77    87    88    35.00000  109.50000
   77    87    89    35.00000  109.50000
   77    87    92    90.00000  108.74100
   87    77    78    80.00000  120.40000
   87    92    96    83.00000  116.90000
   89    87    88    33.00000  107.80000
   92    87    88    35.00000  109.50000
   92    87    89    35.00000  109.50000
   92    96    97    83.00000  123.40000
   92    96   101    81.00000  111.40000
   96   101   102    35.00000  109.50000
   96   101   103    35.00000  109.50000
   96   101   108    63.00000  111.10000
  101    96    97    80.00000  120.40000
  101   108   109    37.50000  110.70000
  101   108   110    37.50000  110.70000
  101   108   111    37.50000  110.70000
  103   101   102    33.00000  107.80000
  108   101   102    37.50000  110.70000
  108   101   103    37.50000  110.70000
  110   108   109    33.00000  107.80000
  111   108   109    33.00000  107.80000
  111   108   110    33.00000  107.80000
   79    75    76    50.00000  109.50000
   79    75    77    90.00000  108.74100
   79    90    91    83.00000  123.40000
   79    90    93    81.00000  111.40000
   90    93    94    35.00000  109.50000
   90    93    95    35.00000  109.50000
   90    93    98    63.00000  111.10000
   93    90    91    80.00000  120.40000
   93    98    99    37.50000  110.70000
   93    98   100    37.50000  110.70000
   93    98   104    58.35000  112.70000
   95    93    94    33.00000  107.80000
   98    93    94    37.50000  110.70000
   98    93    95    37.50000  110.70000
   98   104   105    37.50000  110.70000
   98   104   106    37.50000  110.70000
   98   104   107    37.50000  110.70000
  100    98    99    33.00000  107.80000
  104    98    99    37.50000  110.70000
  104    98   100    37.50000  110.70000
  106   104   105    33.00000  107.80000
  107   104   105    33.00000  107.80000
  107   104   106    33.00000  107.80000
   54    51    52    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    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
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   75    79    90    93   1.63150  1.0 1.0
   75    79    90    93   2.92000 -1.0 2.0
   76    65    69    70   0.15000  1.0 3.0
   76    65    69    71   0.15000  1.0 3.0
   76    65   -69    72   0.56750  1.0 1.0
   76    65   -69    72  -0.07550 -1.0 2.0
   76    65   -69    72   0.20000  1.0 3.0
   76    75    77    78   0.30150 -1.0 2.0
   76    75    77    87   0.60050  1.0 1.0
   76    75    77    87   0.05600 -1.0 2.0
   76    75    77    87   0.26150  1.0 3.0
   76    75    79    90  -0.25900  1.0 1.0
   76    75    79    90  -0.47000 -1.0 2.0
   76    75    79    90   0.11750  1.0 3.0
   76    80   -60    52   0.56750  1.0 1.0
   76    80   -60    52  -0.07550 -1.0 2.0
   76    80   -60    52   0.20000  1.0 3.0
   76    80    60    61   0.15000  1.0 3.0
   76    80    60    67   0.86500  1.0 1.0
   76    80    60    67  -0.17500 -1.0 2.0
   76    80    60    67   0.20800  1.0 3.0
   80    76    83    84   0.15000  1.0 3.0
   80    76    83    85   0.15000  1.0 3.0
   80    76    83    86   0.15000  1.0 3.0
   80    60    67    68  -0.11600  1.0 1.0
   80    60    67    68  -0.09450 -1.0 2.0
   80    60    67    68   0.21250  1.0 3.0
   81    80    60    52   0.15000  1.0 3.0
   81    80    60    61   0.15000  1.0 3.0
   81    80    60    67   0.23400  1.0 3.0
   82    80    60    52   0.15000  1.0 3.0
   82    80    60    61   0.15000  1.0 3.0
   82    80    60    67   0.23400  1.0 3.0
   60    52    58    59   0.15000  1.0 3.0
   60    52    58    62   0.56750  1.0 1.0
   60    52    58    62  -0.07550 -1.0 2.0
   60    52    58    62   0.20000  1.0 3.0
   60    52   -58    65   0.56750  1.0 1.0
   60    52   -58    65  -0.07550 -1.0 2.0
   60    52   -58    65   0.20000  1.0 3.0
   61    60    67    68   0.19450  1.0 3.0
   83    76    80    81   0.15000  1.0 3.0
   83    76    80    82   0.15000  1.0 3.0
   83    76    80    60   0.56750  1.0 1.0
   83    76    80    60  -0.07550 -1.0 2.0
   83    76    80    60   0.20000  1.0 3.0
   77    75    76    65  -0.95700  1.0 1.0
   77    75    76    65  -0.18200 -1.0 2.0
   77    75    76    65   0.29450  1.0 3.0
   77    75    76    80  -0.95700  1.0 1.0
   77    75    76    80  -0.18200 -1.0 2.0
   77    75    76    80   0.29450  1.0 3.0
   77    75    76    83  -0.95700  1.0 1.0
   77    75    76    83  -0.18200 -1.0 2.0
   77    75    76    83   0.29450  1.0 3.0
   77    75    79    90  -1.80650  1.0 1.0
   77    75    79    90   0.63900 -1.0 2.0
   77    75    79    90   0.03650  1.0 3.0
   77    87    92    96  -1.80650  1.0 1.0
   77    87    92    96   0.63900 -1.0 2.0
   77    87    92    96   0.03650  1.0 3.0
   78    77    87    88   0.00000  1.0 1.0
   78    77    87    89   0.00000  1.0 1.0
   78    77    87    92   0.30150 -1.0 2.0
   87    92    96    97   3.00000 -1.0 2.0
   87    92    96   101   1.63150  1.0 1.0
   87    92    96   101   2.92000 -1.0 2.0
   88    87    92    96   0.08050  1.0 3.0
   89    87    92    96   0.08050  1.0 3.0
   92    96   101   102   0.00000  1.0 1.0
   92    96   101   103   0.00000  1.0 1.0
   92    96   101   108   0.36750  1.0 3.0
   96   101   108   109  -0.11250  1.0 3.0
   96   101   108   110  -0.11250  1.0 3.0
   96   101   108   111  -0.11250  1.0 3.0
   97    96   101   102   0.00000  1.0 1.0
   97    96   101   103   0.00000  1.0 1.0
   97    96   101   108   0.30150 -1.0 2.0
  102   101   108   109   0.15000  1.0 3.0
  102   101   108   110   0.15000  1.0 3.0
  102   101   108   111   0.15000  1.0 3.0
  103   101   108   109   0.15000  1.0 3.0
  103   101   108   110   0.15000  1.0 3.0
  103   101   108   111   0.15000  1.0 3.0
   79    75    76    65   0.62750  1.0 1.0
   79    75    76    65  -0.30950 -1.0 2.0
   79    75    76    65   0.27300  1.0 3.0
   79    75    76    80   0.62750  1.0 1.0
   79    75    76    80  -0.30950 -1.0 2.0
   79    75    76    80   0.27300  1.0 3.0
   79    75    76    83   0.62750  1.0 1.0
   79    75    76    83  -0.30950 -1.0 2.0
   79    75    76    83   0.27300  1.0 3.0
   79    75    77    78   0.30150 -1.0 2.0
   79    75    77    87   0.55300  1.0 1.0
   79    75    77    87   1.25850 -1.0 2.0
   79    75    77    87  -0.23600  1.0 3.0
   79    90    93    94   0.00000  1.0 1.0
   79    90    93    95   0.00000  1.0 1.0
   79    90    93    98   0.36750  1.0 3.0
   90    93    98    99  -0.11250  1.0 3.0
   90    93    98   100  -0.11250  1.0 3.0
   90    93    98   104  -0.95700  1.0 1.0
   90    93    98   104  -0.18200 -1.0 2.0
   90    93    98   104   0.29450  1.0 3.0
   91    90    93    94   0.00000  1.0 1.0
   91    90    93    95   0.00000  1.0 1.0
   91    90    93    98   0.30150 -1.0 2.0
   93    98   104   105   0.15000  1.0 3.0
   93    98   104   106   0.15000  1.0 3.0
   93    98   104   107   0.15000  1.0 3.0
   94    93    98    99   0.15000  1.0 3.0
   94    93    98   100   0.15000  1.0 3.0
   94    93    98   104   0.15000  1.0 3.0
   95    93    98    99   0.15000  1.0 3.0
   95    93    98   100   0.15000  1.0 3.0
   95    93    98   104   0.15000  1.0 3.0
   99    98   104   105   0.15000  1.0 3.0
   99    98   104   106   0.15000  1.0 3.0
   99    98   104   107   0.15000  1.0 3.0
  100    98   104   105   0.15000  1.0 3.0
  100    98   104   106   0.15000  1.0 3.0
  100    98   104   107   0.15000  1.0 3.0
   54    51    52    53   0.15000  1.0 3.0
   54    51    52    58   0.56750  1.0 1.0
   54    51    52    58  -0.07550 -1.0 2.0
   54    51    52    58   0.20000  1.0 3.0
   54    51    52    60   0.56750  1.0 1.0
   54    51    52    60  -0.07550 -1.0 2.0
   54    51    52    60   0.20000  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    45    43    44  10.50000 -1.0 2.0
   75    87    77    78  10.50000 -1.0 2.0
   92   101    96    97  10.50000 -1.0 2.0
   79    93    90    91  10.50000 -1.0 2.0
END
