* LIGAND DATABASE FILE (OPLS2005)
*
001     106   110    208    327     610
    1     0 S   NP   _N1_     1    28.36543    96.89252   -22.91228
    2     1 S   H    _HN1     2     1.02776   104.76802   -99.57462
    3     1 S   H    _H1_     3     1.02958    71.12048     5.12426
    4     1 S   H    _H2_     4     1.02835    39.33932   160.07832
    5     1 S   CT   _CA1     5     1.50128   139.49741   104.71083
    6     5 S   HC   _HA1     6     1.09574   105.21840    93.07052
    7     5 S   CO3  _C1_     7     1.53788   112.36750   -27.12717
    8     7 S   O2Z  _O11     8     1.26365   114.99653   -43.76646
    9     7 S   O2Z  _O12     9     1.26236   114.93347   135.34826
   10     5 S   CT   _CB1    10     1.53098   107.42464  -149.01128
   11    10 S   HC   HB11    11     1.09827   109.34166   -50.47433
   12    10 S   HC   HB12    12     1.09816   110.42140    66.08425
   13    10 S   CT   _CG1    13     1.53016   112.66806  -171.54569
   14    13 S   HC   HG11    14     1.09593   110.48919   -64.24529
   15    13 S   HC   HG12    15     1.09656   109.92269    54.95618
   16    13 S   C    _CD1    16     1.51836   112.32158   175.33100
   17    16 S   O    _OE1    17     1.22746   123.30566     0.17132
   18    16 S   N    _N2_    18     1.38578   111.71910  -179.88131
   19    18 S   H    _HN2    19     1.01570   118.96706     4.88952
   20    18 S   CT1  _CA2    20     1.45745   122.81105   177.76910
   21    20 S   HC   _HA2    21     1.09712   109.05618    22.60994
   22    20 S   C    _C2_    22     1.52760   106.86527   -94.93792
   23    22 S   O    _O2_    23     1.22970   122.81488   -35.73398
   24    20 S   CT   _CB2    32     1.53146   112.18103   145.92329
   25    24 S   HC   HB21    33     1.09546   110.26413    49.96985
   26    24 S   HC   HB22    34     1.09402   110.10425   168.64381
   27    22 S   N    _N3_    24     1.38448   112.60964   147.37347
   28    27 S   H    _HN3    25     1.01619   120.30662    -4.86381
   29    24 S   S    _SG2    35     1.82679   110.88747   -70.42042
   30    27 S   CT   _CA3    26     1.45351   122.53898   177.60935
   31    30 S   HC   HA31    27     1.09577   107.54968   -57.98772
   32    30 S   HC   HA32    28     1.09547   107.87628    58.32930
   33    29 S   CT   _C20    36     1.84327   100.30116  -158.63159
   34    33 S   HC   _H3_    37     1.09087   108.31570    54.00506
   35    30 S   CO3  _C3_    29     1.52882   114.11808   179.79633
   36    35 S   O2Z  _O31    30     1.26335   115.90765   -16.69902
   37    35 S   O2Z  _O32    31     1.26392   114.54141   163.43387
   38    33 S   CM   _C5_    38     1.51024   106.50238   173.12154
   39    38 S   HC   _H39    39     1.09157   114.97701    64.66334
   40    33 S   CT   _C12    94     1.53167   110.64176   -65.83298
   41    40 S   HC   _H43    95     1.09585   112.37503    49.52326
   42    40 S   HC   _H44    96     1.09772   112.15340   -69.54424
   43    38 S   CM   _C4_    40     1.34154   129.43281  -117.95835
   44    43 S   HC   _H38    41     1.08753   118.21099  -175.07184
   45    43 S   CO4  _C8_    42     1.47499   127.79265     0.47888
   46    45 S   O    _O28    43     1.22350   121.63984  -137.04276
   47    45 S   OS   _O33    44     1.35788   111.63753    47.14271
   48    47 S   CT   _C23    45     1.44713   115.98758   177.71844
   49    48 S   HC   _H61    46     1.09342   108.20336    38.75451
   50    48 S   CT   _C15    47     1.55408   109.60981   -82.75418
   51    50 S   HC   _H49    48     1.09631   110.13222     1.53059
   52    50 S   HC   _H50    49     1.09434   111.52279   121.52681
   53    50 S   CT   _C24    50     1.53974   105.43399  -116.83563
   54    53 S   HC   _H62    51     1.09436   111.48885   147.06845
   55    53 S   C3T  _C27    52     1.48022   102.96208    24.57606
   56    53 S   OS   _O37    70     1.42650   113.45488   -90.57217
   57    55 S   C3T  _C18    53     1.50957   124.58884   152.31465
   58    57 S   HC   _H55    54     1.08254   118.30326     7.61105
   59    57 S   HC   _H56    55     1.08159   119.44223   155.31789
   60    48 S   CT   _C26    57     1.57406   110.84851   161.22939
   61    55 S   O3T  _O36    56     1.43561   114.08339    85.33785
   62    60 S   CT   _C25    58     1.61318   109.20058  -157.51673
   63    60 S   CT   _C30   103     1.53250   112.85031   -28.03287
   64    63 S   HC   _H69   104     1.09142   112.55773  -174.87287
   65    63 S   HC   _H70   105     1.09388   111.32512    66.63879
   66    63 S   HC   _H71   106     1.08878   112.43994   -52.24924
   67    62 S   CT   _C13    59     1.55966   110.24380  -177.29094
   68    67 S   HC   _H45    60     1.09501   109.74303    52.76146
   69    67 S   HC   _H46    61     1.09430   110.91718   -64.47026
   70    62 S   CT   _C17    75     1.57369   113.54418    60.05073
   71    70 S   HC   _H53    76     1.09475   112.72789   162.84321
   72    70 S   HC   _H54    77     1.09595   109.83666   -81.38956
   73    67 S   CT   _C11    62     1.53379   115.00010   173.10110
   74    73 S   HC   _H41    63     1.09740   107.91297  -162.42145
   75    73 S   HC   _H42    64     1.09613   110.04343    82.13854
   76    70 S   OS   _O35    78     1.43403   114.70157    35.67052
   77    73 S   CM   _C7_    65     1.50238   114.07920   -40.56068
   78    76 S   CO4  _C10    79     1.36225   119.15978   100.59189
   79    78 S   O    _O30    80     1.22236   126.25213    -6.60670
   80    77 S   CM   _C6_    66     1.34222   122.13052    11.57534
   81    80 S   HC   _H40    67     1.08787   119.34696  -178.84954
   82    77 S   CT   _C28    71     1.50067   116.00865  -168.43230
   83    82 S   HC   _H63    72     1.09484   110.23073   -59.15084
   84    82 S   HC   _H64    73     1.09506   112.19763  -179.18004
   85    82 S   HC   _H65    74     1.09479   110.31738    60.70803
   86    78 S   CT   _C21    81     1.52488   108.77628   173.31487
   87    86 S   HC   _H59    82     1.09362   107.78475    49.45767
   88    62 S   CT   _C19    68     1.58757   109.61642   -58.40080
   89    88 S   HC   _H57    69     1.09713   108.83656    82.67972
   90    86 S   CT   _C22    83     1.54559   110.39569   -72.47249
   91    90 S   HC   _H60    84     1.09779   109.19351    46.74751
   92    86 S   OH   _O38   101     1.41967   109.83754   165.80753
   93    92 S   HO   _H72   102     0.97305   107.62284   -58.36735
   94    90 S   CT   _C14    85     1.54704   112.70123   166.88646
   95    94 S   HC   _H47    86     1.09745   108.69400   158.14692
   96    94 S   HC   _H48    87     1.09640   110.11968    41.03196
   97    90 S   CT   _C29    97     1.53883   111.07789   -70.77297
   98    97 S   HC   _H66    98     1.09510   111.70255   -65.48003
   99    97 S   HC   _H67    99     1.09569   110.49314   174.70198
  100    97 S   HC   _H68   100     1.09450   111.35868    55.72523
  101    94 S   CT   _C16    88     1.53080   113.83909   -83.13738
  102   101 S   HC   _H51    89     1.09698   108.28956  -163.49334
  103   101 S   HC   _H52    90     1.09604   110.79444   -44.37760
  104   101 S   OS   _O34    91     1.43329   110.93624    77.57958
  105   104 S   CO4  _C9_    92     1.36631   114.72592   173.01551
  106   105 S   O    _O29    93     1.22428   126.00204     4.52472
  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   9   5   4   3
  12   7   2   1   1  10   4   7   4   3   5   3   6   2  10  19
   8  12   6   5  13   6  14  11   6   3   2  17   2  20   6   2
   1   1  14   7   6  10   4   3  10   4   3   7   8   9   4   7
   3   4   2   1   1  13   6   1   1  14   9   3   1  11   6   5
   4   2   1   1   5   3   2   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43   105    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    45   104   105   106    40    41    42  
   38    39    43   105    40    41    42  
   36    37  
   37  
    0  
   39    43    44    45    46    47   105    40    41    42  
   43    44    45    40  
   41    42    43   101   104   105   106  
   42   104   105   106  
  104   105   106  
   44    45    46    47    48  
   45    46    47  
   46    47    48    49    50    60  
   47    48  
   48    49    50    51    52    53    55    60    62    63  
   49    50    51    52    53    54    55    57    61    60    62    67    88    56    70    63    64    65    66  
   50    51    52    53    55    60    62    63  
   51    52    53    54    55    57    61    60    62    88    56    63  
   52    53    54    55    60    56  
   53    54    55    60    56  
   54    55    57    58    59    61    60    62    80    88    89    56    63  
   55    57    61    60    88    56  
   57    58    59    61    60    62    67    88    56    70    63    64    65    66  
   70    57    60    61    62    67    77    80    81    88    89  
   58    59    61    60    62    63  
   59    61    60  
   61    60  
   62    67    68    69    73    80    88    89    70    71    72    76    63    64    65    66    61  
   62    63  
   67    68    69    73    74    75    77    80    81    88    89    70    71    72    76    78    63    64    65    66  
   64    65    66    67    70    88  
   65    66  
   66  
    0  
   68    69    73    74    75    77    80    88    89    82    70    71    72    76  
   69    73    74    75    77    88    70  
   73    74    75    77    88    70  
   71    72    76    78    79    86    73    80    88    89  
   72    76    78    88  
   76    78    88  
   74    75    77    80    81    88    82    83    84    85  
   75    77    80    82  
   77    80    82  
   78    79    86    87    90    92    88  
   80    81    88    89    82    83    84    85  
   79    86    87    90    91    94    97    92    93  
   86    87    90    92  
   81    88    89    82    83    84    85  
   88    89    82  
   83    84    85    88  
   84    85  
   85  
    0  
   87    90    91    94    95    96   101    97    98    99   100    92    93  
   90    91    94    97    92    93  
   89  
    0  
   91    94    95    96   101   102   103   104    97    98    99   100    92    93  
   94    95    96   101    97    98    99   100    92  
   93    94    97  
    0  
   95    96   101   102   103   104   105    97    98    99   100  
   96   101   102   103   104    97  
  101   102   103   104    97  
   98    99   100   101  
   99   100  
  100  
    0  
  102   103   104   105   106  
  103   104   105  
  104   105  
  105   106  
  106  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   48   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.186500   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.159700   1.9750   1.7500   0.005000000  -0.741685710
   56   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5000   0.0660   0.056200   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   72   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   77   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   78   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   80   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   81   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   88   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   93   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   94   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  103   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  104   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
  105   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  106   2.9600   0.2100  -0.430000   1.6780   1.4800   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    43   549.000  1.340
   43    44   340.000  1.080
   43    45   320.000  1.462
   45    46   570.000  1.229
   45    47   214.000  1.327
   47    48   320.000  1.410
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    60   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   268.000  1.529
   53    54   340.000  1.090
   53    55   275.000  1.510
   53    56   320.000  1.410
   55    57   260.000  1.509
   55    61   335.000  1.432
   55    60   275.000  1.510
   57    58   340.000  1.088
   57    59   340.000  1.088
   57    61   335.000  1.432
   60    62   268.000  1.529
   60    63   268.000  1.529
   62    67   268.000  1.529
   62    88   268.000  1.529
   62    70   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    77   317.000  1.510
   77    80   549.000  1.340
   77    82   317.000  1.510
   80    81   340.000  1.080
   80    88   317.000  1.510
   88    89   340.000  1.090
   88    56   320.000  1.410
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    76   320.000  1.410
   76    78   214.000  1.327
   78    79   570.000  1.229
   78    86   317.000  1.522
   86    87   340.000  1.090
   86    90   268.000  1.529
   86    92   320.000  1.410
   90    91   340.000  1.090
   90    94   268.000  1.529
   90    97   268.000  1.529
   94    95   340.000  1.090
   94    96   340.000  1.090
   94   101   268.000  1.529
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   104   320.000  1.410
  104   105   214.000  1.327
  105   106   570.000  1.229
  105    40   317.000  1.522
   40    41   340.000  1.090
   40    42   340.000  1.090
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
   92    93   553.000  0.945
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    43    70.00000  124.00000
   33    40   105    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    35.00000  120.00000
   38    43    45    65.00000  118.96000
   43    38    39    35.00000  120.00000
   43    45    46    80.00000  123.72100
   43    45    47    90.00000  111.29400
   45    43    44    40.00000  117.72500
   45    47    48    83.00000  116.90000
   47    45    46    83.00000  123.40000
   47    48    49    35.00000  109.50000
   47    48    50    50.00000  109.50000
   47    48    60    50.00000  109.50000
   48    50    51    37.50000  110.70000
   48    50    52    37.50000  110.70000
   48    50    53    58.35000  112.70000
   48    60    55    70.00000  112.37300
   48    60    62    58.35000  112.70000
   48    60    63    58.35000  112.70000
   50    48    49    37.50000  110.70000
   50    53    54    37.50000  110.70000
   50    53    55    70.00000  112.37300
   50    53    56    50.00000  109.50000
   52    50    51    33.00000  107.80000
   53    50    51    37.50000  110.70000
   53    50    52    37.50000  110.70000
   53    55    57    60.00000  120.94000
   53    55    61    80.00000  116.47100
   53    55    60    58.35000  112.70000
   53    56    88    60.00000  109.50000
   55    53    54    45.00000  109.38400
   55    57    58    37.50000  117.20000
   55    57    59    37.50000  117.20000
   55    57    61    15.00000   60.43100
   55    61    57    15.00000   59.14900
   55    60    62    70.00000  112.37300
   55    60    63    70.00000  112.37300
   59    57    58    35.00000  114.30000
   61    55    57    15.00000   60.43100
   61    57    58    50.00000  114.27700
   61    57    59    50.00000  114.27700
   60    48    49    37.50000  110.70000
   60    48    50    58.35000  112.70000
   60    55    57    60.00000  120.94000
   60    55    61    80.00000  116.47100
   60    62    67    58.35000  112.70000
   60    62    88    58.35000  112.70000
   60    62    70    58.35000  112.70000
   60    63    64    37.50000  110.70000
   60    63    65    37.50000  110.70000
   60    63    66    37.50000  110.70000
   62    67    68    37.50000  110.70000
   62    67    69    37.50000  110.70000
   62    67    73    58.35000  112.70000
   62    88    80    70.00000  112.02700
   62    88    89    37.50000  110.70000
   62    88    56    50.00000  109.50000
   62    70    71    37.50000  110.70000
   62    70    72    37.50000  110.70000
   62    70    76    50.00000  109.50000
   67    73    74    37.50000  110.70000
   67    73    75    37.50000  110.70000
   67    73    77    70.00000  112.02700
   69    67    68    33.00000  107.80000
   73    67    68    37.50000  110.70000
   73    67    69    37.50000  110.70000
   73    77    80    70.00000  124.00000
   73    77    82    65.00000  117.92700
   75    73    74    33.00000  107.80000
   77    73    74    35.00000  109.50000
   77    73    75    35.00000  109.50000
   77    80    81    35.00000  120.00000
   77    80    88    70.00000  124.00000
   77    82    83    35.00000  109.50000
   77    82    84    35.00000  109.50000
   77    82    85    35.00000  109.50000
   80    88    89    35.00000  109.50000
   80    88    56    85.00000  110.90400
   88    62    67    58.35000  112.70000
   88    80    81    35.00000  117.00000
   56    53    54    35.00000  109.50000
   56    53    55    50.00000  109.50000
   56    88    89    35.00000  109.50000
   82    77    80    70.00000  124.00000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   70    62    67    58.35000  112.70000
   70    62    88    58.35000  112.70000
   70    76    78    83.00000  116.90000
   72    70    71    33.00000  107.80000
   76    70    71    35.00000  109.50000
   76    70    72    35.00000  109.50000
   76    78    79    83.00000  123.40000
   76    78    86    81.00000  111.40000
   78    86    87    35.00000  109.50000
   78    86    90    63.00000  111.10000
   78    86    92    90.00000  109.61100
   86    78    79    80.00000  120.40000
   86    90    91    37.50000  110.70000
   86    90    94    58.35000  112.70000
   86    90    97    58.35000  112.70000
   86    92    93    55.00000  108.50000
   90    86    87    37.50000  110.70000
   90    94    95    37.50000  110.70000
   90    94    96    37.50000  110.70000
   90    94   101    58.35000  112.70000
   90    97    98    37.50000  110.70000
   90    97    99    37.50000  110.70000
   90    97   100    37.50000  110.70000
   94    90    91    37.50000  110.70000
   94   101   102    37.50000  110.70000
   94   101   103    37.50000  110.70000
   94   101   104    50.00000  109.50000
   96    94    95    33.00000  107.80000
  101    94    95    37.50000  110.70000
  101    94    96    37.50000  110.70000
  101   104   105    83.00000  116.90000
  103   101   102    33.00000  107.80000
  104   101   102    35.00000  109.50000
  104   101   103    35.00000  109.50000
  104   105   106    83.00000  123.40000
  104   105    40    81.00000  111.40000
  105    40    41    35.00000  109.50000
  105    40    42    35.00000  109.50000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40   105   106    80.00000  120.40000
   42    40    41    33.00000  107.80000
   97    90    91    37.50000  110.70000
   97    90    94    58.35000  112.70000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
   92    86    87    35.00000  109.50000
   92    86    90    50.00000  109.50000
   63    60    62    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    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
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   90    86    92    93  -0.09450 -1.0 2.0
   90    86    92    93   0.21250  1.0 3.0
   90    94   101   102   0.15000  1.0 3.0
   90    94   101   103   0.15000  1.0 3.0
   90    94   101   104   0.62750  1.0 1.0
   90    94   101   104  -0.30950 -1.0 2.0
   90    94   101   104   0.27300  1.0 3.0
   91    90    94    95   0.15000  1.0 3.0
   91    90    94    96   0.15000  1.0 3.0
   91    90    94   101   0.15000  1.0 3.0
   91    90    97    98   0.15000  1.0 3.0
   91    90    97    99   0.15000  1.0 3.0
   91    90    97   100   0.15000  1.0 3.0
   94    90    97    98   0.15000  1.0 3.0
   94    90    97    99   0.15000  1.0 3.0
   94    90    97   100   0.15000  1.0 3.0
   94   101   104   105  -0.25900  1.0 1.0
   94   101   104   105  -0.47000 -1.0 2.0
   94   101   104   105   0.11750  1.0 3.0
   95    94   101   102   0.15000  1.0 3.0
   95    94   101   103   0.15000  1.0 3.0
   95    94   101   104   0.23400  1.0 3.0
   96    94   101   102   0.15000  1.0 3.0
   96    94   101   103   0.15000  1.0 3.0
   96    94   101   104   0.23400  1.0 3.0
  101   104   105   106   3.00000 -1.0 2.0
  101   104   105    40   1.63150  1.0 1.0
  101   104   105    40   2.92000 -1.0 2.0
  102   101   104   105   0.08050  1.0 3.0
  103   101   104   105   0.08050  1.0 3.0
  104   105    40    33   0.36750  1.0 3.0
  104   105    40    41   0.00000  1.0 1.0
  104   105    40    42   0.00000  1.0 1.0
  106   105    40    33   0.30150 -1.0 2.0
  106   105    40    41   0.00000  1.0 1.0
  106   105    40    42   0.00000  1.0 1.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    43   0.09850  1.0 1.0
   40    33    38    43   0.15250 -1.0 2.0
   40    33    38    43  -0.50650  1.0 3.0
   97    90    94    95   0.15000  1.0 3.0
   97    90    94    96   0.15000  1.0 3.0
   97    90    94   101   0.56750  1.0 1.0
   97    90    94   101  -0.07550 -1.0 2.0
   97    90    94   101   0.20000  1.0 3.0
   92    86    90    91   0.23400  1.0 3.0
   92    86    90    94   0.86500  1.0 1.0
   92    86    90    94  -0.17500 -1.0 2.0
   92    86    90    94   0.20800  1.0 3.0
   92    86    90    97   0.86500  1.0 1.0
   92    86    90    97  -0.17500 -1.0 2.0
   92    86    90    97   0.20800  1.0 3.0
   63    60    62    67   0.56750  1.0 1.0
   63    60    62    67  -0.07550 -1.0 2.0
   63    60    62    67   0.20000  1.0 3.0
   63    60    62    88   0.56750  1.0 1.0
   63    60    62    88  -0.07550 -1.0 2.0
   63    60    62    88   0.20000  1.0 3.0
   63    60    62    70   0.56750  1.0 1.0
   63    60    62    70  -0.07550 -1.0 2.0
   63    60    62    70   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
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    43   1.10000 -1.0 2.0
   45    44    43    38   1.10000 -1.0 2.0
   43    47    45    46  10.50000 -1.0 2.0
   73    82    77    80   1.10000 -1.0 2.0
   88    81    80    77   1.10000 -1.0 2.0
   76    86    78    79  10.50000 -1.0 2.0
  104    40   105   106  10.50000 -1.0 2.0
END
