* LIGAND DATABASE FILE (OPLS2005)
*
001     105   109    205    323     601
    1     0 S   NP   _N1_     1    29.31246    94.22678   -25.04218
    2     1 S   H    _HN1     2     1.02781   116.27214   -90.33421
    3     1 S   H    _H1_     3     1.02954    81.22244    15.87463
    4     1 S   H    _H2_     4     1.02830    25.87165  -166.86757
    5     1 S   CT   _CA1     5     1.50119   122.83007   124.54389
    6     5 S   HC   _HA1     6     1.09574   105.20806    84.92249
    7     5 S   CO3  _C1_     7     1.53792   112.42106   -35.30442
    8     7 S   O2Z  _O11     8     1.26369   115.00125   -42.96550
    9     7 S   O2Z  _O12     9     1.26238   114.94477   136.16868
   10     5 S   CT   _CB1    10     1.53085   107.42853  -157.11213
   11    10 S   HC   HB11    11     1.09829   109.36882   -49.99931
   12    10 S   HC   HB12    12     1.09816   110.43753    66.59728
   13    10 S   CT   _CG1    13     1.52996   112.61825  -171.01410
   14    13 S   HC   HG11    14     1.09588   110.55696   -64.96075
   15    13 S   HC   HG12    15     1.09668   109.85749    54.26777
   16    13 S   C    _CD1    16     1.51805   112.28782   174.69009
   17    16 S   O    _OE1    17     1.22719   123.24581     3.96225
   18    16 S   N    _N2_    18     1.38619   111.61075  -176.16968
   19    18 S   H    _HN2    19     1.01576   118.99866     0.93251
   20    18 S   CT1  _CA2    20     1.46173   123.42250   178.30004
   21    20 S   HC   _HA2    21     1.09512   109.32020    -5.73723
   22    20 S   C    _C2_    22     1.53477   108.17845  -120.67348
   23    22 S   O    _O2_    23     1.23025   122.49263  -146.21953
   24    20 S   CT   _CB2    32     1.53287   111.66324   117.06649
   25    24 S   HC   HB21    33     1.09678   109.39648    60.71863
   26    24 S   HC   HB22    34     1.09497   111.12763   177.59157
   27    22 S   N    _N3_    24     1.38420   113.43563    41.00360
   28    27 S   H    _HN3    25     1.01617   119.45912    -3.11118
   29    24 S   S    _SG2    35     1.83188   114.52607   -58.40222
   30    27 S   CT   _CA3    26     1.45264   123.14154   177.05197
   31    30 S   HC   HA31    27     1.09551   107.46885   -65.22628
   32    30 S   HC   HA32    28     1.09558   108.01445    51.18532
   33    29 S   CT   _C19    36     1.83715   100.83033   -68.27180
   34    33 S   HC   _H3_    37     1.09369   108.08529    53.29753
   35    30 S   CO3  _C3_    29     1.52937   114.15034   173.20725
   36    35 S   O2Z  _O31    30     1.26369   116.10059    -1.25180
   37    35 S   O2Z  _O32    31     1.26440   114.40249   178.84411
   38    33 S   CM   _C5_    38     1.51618   107.78178   167.63306
   39    38 S   HC   _H39    39     1.08963   114.70517   -75.90179
   40    33 S   CM   _C7_    94     1.51224   109.86060   -68.09646
   41    40 S   HC   _H41    95     1.09129   115.54469   -52.35404
   42    38 S   CM   _C4_    40     1.34175   126.27554   107.20987
   43    42 S   HC   _H38    41     1.08424   121.95190    -2.59646
   44    42 S   CO4  _C10    42     1.47854   120.98283   173.87586
   45    44 S   O    _O29    43     1.21914   125.90723     2.59661
   46    44 S   OS   _O34    44     1.35733   106.43080  -174.12193
   47    46 S   CT   _C16    45     1.43632   117.76875   164.03054
   48    47 S   HC   _H50    46     1.09485   108.00192   105.10028
   49    47 S   HC   _H51    47     1.09498   112.13480   -14.02292
   50    47 S   CT   _C14    48     1.53123   107.95372  -136.17692
   51    50 S   HC   _H46    49     1.09632   109.24625   178.36207
   52    50 S   HC   _H47    50     1.09784   107.69896   -65.70548
   53    50 S   CT   _C22    51     1.54894   114.02357    54.01829
   54    53 S   HC   _H59    52     1.09684   108.35278   -53.66873
   55    53 S   CT   _C21    53     1.54434   110.23143  -171.47060
   56    55 S   HC   _H58    54     1.09665   110.73707    48.51234
   57    53 S   CT   _C29   102     1.53495   110.94143    64.14897
   58    57 S   HC   _H65   103     1.09498   111.57101    56.06394
   59    57 S   HC   _H66   104     1.09433   111.11926   -64.31868
   60    57 S   HC   _H67   105     1.09472   111.20988   176.80739
   61    55 S   CO4  _C11    55     1.52336   111.56259   168.00211
   62    61 S   O    _O30    56     1.22390   124.23552   115.23302
   63    55 S   OH   _O38   100     1.42008   109.86938   -69.87037
   64    63 S   HO   _H71   101     0.97276   107.57305   178.61973
   65    61 S   OS   _O35    57     1.36470   109.61558   -65.98529
   66    65 S   CT   _C17    58     1.44007   117.97064   178.90371
   67    66 S   HC   _H52    59     1.09496   110.42509    17.31895
   68    66 S   HC   _H53    60     1.09269   106.92637   -97.48896
   69    66 S   CT   _C25    61     1.56693   111.30311   140.58243
   70    69 S   CT   _C13    62     1.56365   108.67167   -52.88215
   71    70 S   HC   _H44    63     1.09519   110.06579  -179.32218
   72    70 S   HC   _H45    64     1.09497   111.55776    63.06304
   73    69 S   CT   _C26    81     1.61326   112.15534    70.45719
   74    70 S   CT   _C12    65     1.53485   113.66470   -59.66584
   75    74 S   HC   _H42    66     1.09712   108.02756  -165.15943
   76    74 S   HC   _H43    67     1.09604   110.03985    78.93340
   77    96 S   C3T  _C27    82     1.48718   107.83917   -61.70004
   78    73 S   CT   _C30    87     1.53407   114.07066   -60.33265
   79    78 S   HC   _H68    88     1.09312   112.21997   -51.62358
   80    78 S   HC   _H69    89     1.09559   112.04140  -170.58472
   81    78 S   HC   _H70    90     1.09378   111.34762    69.99501
   82    74 S   CM   _C8_    68     1.50442   113.57069   -43.45530
   83    77 S   C3T  _C18    83     1.50946   124.85436   -90.12810
   84    83 S   HC   _H54    84     1.08250   118.26942     7.35933
   85    83 S   HC   _H55    85     1.08171   119.23715   154.90670
   86    82 S   CM   _C6_    69     1.34336   121.92432    12.60735
   87    86 S   HC   _H40    70     1.08766   119.51739  -178.76172
   88    77 S   O3T  _O36    86     1.43560   114.39936  -157.26907
   89    82 S   CT   _C28    96     1.50020   116.12353  -167.48308
   90    89 S   HC   _H62    97     1.09483   110.22116   -59.07000
   91    89 S   HC   _H63    98     1.09505   112.17864  -179.09388
   92    89 S   HC   _H64    99     1.09476   110.31943    60.78873
   93    69 S   CT   _C20    71     1.57709   108.28715  -169.07270
   94    93 S   HC   _H57    72     1.09720   108.98520   -43.42064
   95    93 S   OS   _O37    73     1.43913   113.69576  -163.79517
   96    95 S   CT   _C24    74     1.43024   115.57272    46.16562
   97    96 S   HC   _H61    75     1.09420   108.18149   174.76771
   98    96 S   CT   _C15    76     1.53490   111.83506    51.23942
   99    98 S   HC   _H48    77     1.09661   109.98155   150.09511
  100    98 S   HC   _H49    78     1.09449   112.08774    30.15210
  101    98 S   CT   _C23    79     1.55178   104.96400   -91.22128
  102   101 S   HC   _H60    80     1.09187   110.81257   123.87449
  103   101 S   OS   _O33    91     1.44100   106.81907  -114.27183
  104   103 S   CMA  _C9_    92     1.41734   116.20666  -116.84284
  105   104 S   OM   _O28    93     1.26695   124.51945    39.18258
  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   8   5   4   3
  11   6   2   1   1   9   4   6   3   5   3   6   2   7   9   5
   4  12   5   4  12   8  11   6   5   2   1   1   8   3   2   1
   7  15   5   4  25  15   7   6  23  10   4   3  18  11   3   2
   1   9   8   3   2   9   4   5   4   2   1   1   6   2   6   7
   4   6   4   3   4   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    42   104    40    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    44   103   104   105    40    41  
   38    39    42   104    40    41  
   36    37  
   37  
    0  
   39    42    43    44    45    46   104    40    41  
   42    43    44    40  
   41    42   101   103   104   105  
  103   104   105  
   43    44    45    46    47  
   44    45    46  
   45    46    47    48    49    50  
   46    47  
   47    48    49    50    51    52    53  
   48    49    50    51    52    53    54    55    57  
   49    50    51    52    53  
   50    51    52    53  
   51    52    53    54    55    56    61    63    57    58    59    60  
   52    53    54    55    57  
   53    54    55    57  
   54    55    56    61    62    65    63    64    57    58    59    60  
   55    56    61    63    57    58    59    60  
   56    61    62    65    66    63    64    57    58    59    60  
   61    62    65    63    64    57  
   58    59    60    61    63  
   59    60  
   60  
    0  
   62    65    66    67    68    69    63    64  
   65    66    63  
   64    65  
    0  
   66    67    68    69    70    93    73  
   67    68    69    70    71    72    74    86    93    94    95   101    73    77    78  
   68    69    70    93    73  
   69    70    93    73  
   70    71    72    74    75    76    82    86    87    93    94    95    96    98   101   102    73    77    83    88    78    79    80    81   103  
   71    72    74    75    76    82    86    93    94    95   101    73    77    78    89  
   72    74    75    76    82    93    73  
   74    75    76    82    93    73  
   77    83    84    85    88    78    79    80    81   103   104    74    86    93    94    95    96    97    98    99   100   101   102  
   75    76    82    86    87    93    89    90    91    92  
   76    82    86    89  
   82    86    89  
   83    84    85    88    78    79    80    81   103    93    95    96    97    98    99   100   101   102  
   79    80    81   103    83    88    93    96    98   101   102  
   80    81   101  
   81   101  
  101  
   86    87    93    94    95    89    90    91    92  
   84    85    88    95    96    97    98   101  
   85    88    96  
   88    96  
   87    93    94    95    96    89    90    91    92  
   93    94    95    89  
   95    96    97    98   101  
   90    91    92    93  
   91    92  
   92  
    0  
   94    95    96    97    98   101  
   95    96  
   96    97    98    99   100   101  
   97    98    99   100   101   102   103  
   98    99   100   101  
   99   100   101   102   103   104  
  100   101   102   103  
  101   102   103  
  102   103   104   105  
  103   104  
  104   105  
  105  
    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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   66   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   68   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   69   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.159700   1.9750   1.7500   0.005000000  -0.741685710
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   83   3.5000   0.0660   0.056200   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   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   87   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   88   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   89   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   95   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   96   3.5000   0.0660   0.186500   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  103   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
  104   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
  105   3.1500   0.2500  -0.373900   1.7825   1.5750   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   317.000  1.510
   38    39   340.000  1.080
   38    42   549.000  1.340
   42    43   340.000  1.080
   42    44   320.000  1.462
   44    45   570.000  1.229
   44    46   214.000  1.327
   46    47   320.000  1.410
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   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   268.000  1.529
   53    57   268.000  1.529
   55    56   340.000  1.090
   55    61   317.000  1.522
   55    63   320.000  1.410
   61    62   570.000  1.229
   61    65   214.000  1.327
   65    66   320.000  1.410
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   268.000  1.529
   69    70   268.000  1.529
   69    93   268.000  1.529
   69    73   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    82   317.000  1.510
   82    86   549.000  1.340
   82    89   317.000  1.510
   86    87   340.000  1.080
   86    93   317.000  1.510
   93    94   340.000  1.090
   93    95   320.000  1.410
   95    96   320.000  1.410
   96    97   340.000  1.090
   96    98   268.000  1.529
   96    77   275.000  1.510
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   268.000  1.529
  101   102   340.000  1.090
  101    73   268.000  1.529
  101   103   320.000  1.410
   73    77   275.000  1.510
   73    78   268.000  1.529
   77    83   260.000  1.509
   77    88   335.000  1.432
   83    84   340.000  1.088
   83    85   340.000  1.088
   83    88   335.000  1.432
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
  103   104   440.000  1.360
  104   105   745.000  1.250
  104    40   465.000  1.376
   40    41   340.000  1.080
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   63    64   553.000  0.945
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   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  112.20000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40   104    70.00000  124.00000
   33    40    41    35.00000  117.00000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    44    65.00000  118.96000
   42    38    39    35.00000  120.00000
   42    44    45    80.00000  123.72100
   42    44    46    90.00000  111.29400
   44    42    43    40.00000  117.72500
   44    46    47    83.00000  116.90000
   46    44    45    83.00000  123.40000
   46    47    48    35.00000  109.50000
   46    47    49    35.00000  109.50000
   46    47    50    50.00000  109.50000
   47    50    51    37.50000  110.70000
   47    50    52    37.50000  110.70000
   47    50    53    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    53    54    37.50000  110.70000
   50    53    55    58.35000  112.70000
   50    53    57    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    37.50000  110.70000
   53    50    52    37.50000  110.70000
   53    55    56    37.50000  110.70000
   53    55    61    63.00000  111.10000
   53    55    63    50.00000  109.50000
   53    57    58    37.50000  110.70000
   53    57    59    37.50000  110.70000
   53    57    60    37.50000  110.70000
   55    53    54    37.50000  110.70000
   55    61    62    80.00000  120.40000
   55    61    65    81.00000  111.40000
   55    63    64    55.00000  108.50000
   61    55    56    35.00000  109.50000
   61    65    66    83.00000  116.90000
   65    61    62    83.00000  123.40000
   65    66    67    35.00000  109.50000
   65    66    68    35.00000  109.50000
   65    66    69    50.00000  109.50000
   66    69    70    58.35000  112.70000
   66    69    93    58.35000  112.70000
   66    69    73    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    37.50000  110.70000
   69    66    68    37.50000  110.70000
   69    70    71    37.50000  110.70000
   69    70    72    37.50000  110.70000
   69    70    74    58.35000  112.70000
   69    93    86    70.00000  112.02700
   69    93    94    37.50000  110.70000
   69    93    95    50.00000  109.50000
   69    73   101    58.35000  112.70000
   69    73    77    70.00000  112.37300
   69    73    78    58.35000  112.70000
   70    74    75    37.50000  110.70000
   70    74    76    37.50000  110.70000
   70    74    82    70.00000  112.02700
   72    70    71    33.00000  107.80000
   74    70    71    37.50000  110.70000
   74    70    72    37.50000  110.70000
   74    82    86    70.00000  124.00000
   74    82    89    65.00000  117.92700
   76    74    75    33.00000  107.80000
   82    74    75    35.00000  109.50000
   82    74    76    35.00000  109.50000
   82    86    87    35.00000  120.00000
   82    86    93    70.00000  124.00000
   82    89    90    35.00000  109.50000
   82    89    91    35.00000  109.50000
   82    89    92    35.00000  109.50000
   86    93    94    35.00000  109.50000
   86    93    95    85.00000  110.90400
   93    69    70    58.35000  112.70000
   93    86    87    35.00000  117.00000
   93    95    96    60.00000  109.50000
   95    93    94    35.00000  109.50000
   95    96    97    35.00000  109.50000
   95    96    98    50.00000  109.50000
   95    96    77    50.00000  109.50000
   96    98    99    37.50000  110.70000
   96    98   100    37.50000  110.70000
   96    98   101    58.35000  112.70000
   96    77    73    58.35000  112.70000
   96    77    83    60.00000  120.94000
   96    77    88    80.00000  116.47100
   98    96    97    37.50000  110.70000
   98   101   102    37.50000  110.70000
   98   101    73    58.35000  112.70000
   98   101   103    50.00000  109.50000
  100    98    99    33.00000  107.80000
  101    98    99    37.50000  110.70000
  101    98   100    37.50000  110.70000
  101    73    77    70.00000  112.37300
  101    73    78    58.35000  112.70000
  101   103   104    90.00000  111.18400
   73    69    70    58.35000  112.70000
   73    69    93    58.35000  112.70000
   73   101   102    37.50000  110.70000
   73    77    83    60.00000  120.94000
   73    77    88    80.00000  116.47100
   73    78    79    37.50000  110.70000
   73    78    80    37.50000  110.70000
   73    78    81    37.50000  110.70000
   77    96    97    45.00000  109.38400
   77    96    98    70.00000  112.37300
   77    83    84    37.50000  117.20000
   77    83    85    37.50000  117.20000
   77    83    88    15.00000   60.43100
   77    88    83    15.00000   59.14900
   85    83    84    35.00000  114.30000
   88    77    83    15.00000   60.43100
   88    83    84    50.00000  114.27700
   88    83    85    50.00000  114.27700
   78    73    77    70.00000  112.37300
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
  103   101   102    35.00000  109.50000
  103   101    73    50.00000  109.50000
  103   104   105    65.00000  121.00000
  103   104    40    80.00000  120.01400
  104    40    41    40.00000  120.50800
   40    33    34    35.00000  109.50000
   40    33    38    70.00000  110.12100
   40   104   105    65.00000  137.10300
   89    82    86    70.00000  124.00000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   63    55    56    35.00000  109.50000
   63    55    61    90.00000  109.61100
   57    53    54    37.50000  110.70000
   57    53    55    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    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
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   77    96   -98   101   0.47050  1.0 1.0
   77    96   -98   101   0.03900 -1.0 2.0
   77    96   -98   101   0.20100  1.0 3.0
   77    73    78    79   0.15000  1.0 3.0
   77    73    78    80   0.15000  1.0 3.0
   77    73    78    81   0.15000  1.0 3.0
   84    83   -88    77   0.36800  1.0 3.0
   85    83   -88    77   0.36800  1.0 3.0
   88    77   -83    84   0.23400  1.0 3.0
   88    77   -83    85   0.23400  1.0 3.0
   78    73    77    96   0.56750  1.0 1.0
   78    73    77    96  -0.07550 -1.0 2.0
   78    73    77    96   0.20000  1.0 3.0
   78    73    77    83   0.07850  1.0 1.0
   78    73    77    83  -0.03950 -1.0 2.0
   78    73    77    83   0.67350  1.0 3.0
   78    73    77    88   0.02550  1.0 1.0
   78    73    77    88  -0.02600 -1.0 2.0
   78    73    77    88   1.20400  1.0 3.0
  103   101    73    69   0.62750  1.0 1.0
  103   101    73    69  -0.30950 -1.0 2.0
  103   101    73    69   0.27300  1.0 3.0
  103   101    73    77  -0.26800  1.0 1.0
  103   101    73    77   0.69150 -1.0 2.0
  103   101    73    77  -0.48750  1.0 3.0
  103   101    73    78   0.62750  1.0 1.0
  103   101    73    78  -0.30950 -1.0 2.0
  103   101    73    78   0.27300  1.0 3.0
  103   104    40    33   7.00000 -1.0 2.0
  103   104    40    41   7.00000 -1.0 2.0
  105   104    40    33   7.00000 -1.0 2.0
  105   104    40    41   7.00000 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42  -0.28300  1.0 1.0
   40    33    38    42   0.26700 -1.0 2.0
   40    33    38    42  -0.63300  1.0 3.0
   89    82    86    87   7.00000 -1.0 2.0
   89    82    86    93   7.00000 -1.0 2.0
   63    55    61    62   0.30150 -1.0 2.0
   63    55    61    65   0.30750  1.0 1.0
   63    55    61    65   1.13850 -1.0 2.0
   63    55    61    65   0.38850  1.0 3.0
   57    53    55    56   0.15000  1.0 3.0
   57    53    55    61  -0.95700  1.0 1.0
   57    53    55    61  -0.18200 -1.0 2.0
   57    53    55    61   0.29450  1.0 3.0
   57    53    55    63   0.86500  1.0 1.0
   57    53    55    63  -0.17500 -1.0 2.0
   57    53    55    63   0.20800  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    42   1.10000 -1.0 2.0
   44    43    42    38   1.10000 -1.0 2.0
   42    46    44    45  10.50000 -1.0 2.0
   55    65    61    62  10.50000 -1.0 2.0
   74    89    82    86   1.10000 -1.0 2.0
   93    87    86    82   1.10000 -1.0 2.0
  103   105   104    40   1.10000 -1.0 2.0
   33    41    40   104   1.10000 -1.0 2.0
END
