* LIGAND DATABASE FILE (OPLS2005)
*
001     100   105    196    328     593
    1     0 S   NP   _N1_     1    28.92268    93.30434   -19.46597
    2     1 S   H    _HN1     2     1.02786    80.72861   -71.89342
    3     1 S   H    _H1_     3     1.02958   105.08297    34.66109
    4     1 S   H    _H2_     4     1.02842    29.85620   132.84464
    5     1 S   CT   _CA1     5     1.50108   134.90474   175.92186
    6     5 S   HC   _HA1     6     1.09575   105.27639    38.04305
    7     5 S   CO3  _C1_     7     1.53835   112.18082   -82.19498
    8     7 S   O2Z  _O11     8     1.26359   115.08463   -48.54670
    9     7 S   O2Z  _O12     9     1.26235   114.86241   130.59011
   10     5 S   CT   _CB1    10     1.53074   107.40380   155.87604
   11    10 S   HC   HB11    11     1.09818   109.45895   -50.54990
   12    10 S   HC   HB12    12     1.09834   110.35738    65.98542
   13    10 S   CT   _CG1    13     1.53020   112.67828  -171.71373
   14    13 S   HC   HG11    14     1.09486   110.24248   -58.64516
   15    13 S   HC   HG12    15     1.09604   110.31264    60.50469
   16    13 S   C    _CD1    16     1.51775   111.88797  -179.32391
   17    16 S   O    _OE1    17     1.22753   123.02418   -17.39109
   18    16 S   N    _N2_    18     1.38576   111.86925   163.34283
   19    18 S   H    _HN2    19     1.01549   119.15984     2.19357
   20    18 S   CT1  _CA2    20     1.46325   123.31752  -175.99376
   21    20 S   HC   _HA2    21     1.09729   109.41348   -13.24329
   22    20 S   C    _C2_    22     1.53393   108.37004  -129.10664
   23    22 S   O    _O2_    23     1.23011   122.26950  -146.19733
   24    20 S   CT   _CB2    32     1.53819   111.20617   108.73716
   25    24 S   HC   HB21    33     1.09230   108.34168    56.62179
   26    24 S   HC   HB22    34     1.09363   109.96613   175.31734
   27    22 S   N    _N3_    24     1.38526   113.36554    41.18861
   28    27 S   H    _HN3    25     1.01527   118.87966    -0.50358
   29    24 S   S    _SG2    35     1.82908   110.85969   -64.57898
   30    27 S   CT   _CA3    26     1.45440   123.41283   175.17797
   31    30 S   HC   HA31    27     1.09528   109.18108    25.42167
   32    30 S   HC   HA32    28     1.09495   107.13393   142.41220
   33    29 S   CT   _C17    36     1.90713   103.88614   172.92535
   34    30 S   CO3  _C3_    29     1.52930   113.15458   -98.02094
   35    34 S   O2Z  _O31    30     1.26402   115.41663   -44.19955
   36    34 S   O2Z  _O32    31     1.26358   114.96978   136.73367
   37    33 S   CT   _C18    37     1.59929   111.50769   -54.76597
   38    37 S   OM   _O34    38     1.32455   109.76462   179.20821
   39    37 S   HC   _H8_    39     1.09778   103.43033    56.47186
   40    33 S   CT   _C16    59     1.58514   107.36107   179.30903
   41    40 S   HC   _H7_    60     1.09758   108.51525  -166.04264
   42    33 S   CT   _C19    96     1.56902   103.83193    64.22226
   43    42 S   HC   _H15    97     1.09570   111.81188    48.50304
   44    42 S   HC   _H16    98     1.09509   111.37957   -71.78978
   45    37 S   CT   _C9_    40     1.58696   114.28422   -55.30135
   46    45 S   HC   _H5_    41     1.09416   105.47288    38.36811
   47    40 S   OH   _O36    61     1.44151   107.83862   -53.47027
   48    47 S   HO   _H18    62     0.97264   108.17442  -177.32541
   49    42 S   OH   _O35    99     1.42679   112.71231   168.20838
   50    49 S   HO   _H17   100     0.97560   106.37576    48.90843
   51    45 S   CT   _C8_    42     1.55501   110.93870   152.04756
   52    51 S   HC   _H4_    43     1.09435   110.74878   -52.92917
   53    51 S   CT   _C7_    44     1.55105   112.96717   177.95886
   54    51 S   OS   _O39    82     1.42939   106.77857    66.31001
   55    53 S   CT   _C6_    45     1.53333   111.90494    18.62010
   56    55 S   HC   _H12    46     1.09748   110.23131   178.26969
   57    55 S   HC   _H13    47     1.09706   109.77891    62.03885
   58    53 S   OS   _O40    83     1.44553   104.16148   -93.85110
   59    53 S   CM   _C28    88     1.52669   112.22612   146.80431
   60    55 S   CT   _C5_    48     1.55998   112.31575   -58.75648
   61    60 S   HC   _H3_    49     1.09280   104.39912   148.15563
   62    59 S   CM   _C29    89     1.34462   123.39054   107.54463
   63    62 S   HC   _H28    90     1.08532   121.34631   179.95154
   64    62 S   HC   _H29    91     1.08449   122.16726    -0.18345
   65    59 S   CT   _C30    92     1.50783   117.07909   -72.32341
   66    65 S   HC   _H30    93     1.09398   110.60846   -67.17324
   67    65 S   HC   _H31    94     1.09391   111.02007    53.41119
   68    65 S   HC   _H32    95     1.09554   112.05929   173.16677
   69    45 S   CT   _C10    50     1.57409   120.91395   -82.53285
   70    60 S   CT   _C4_    84     1.53814   109.45083   -99.26234
   71    70 S   HC   _H9_    85     1.09269   112.89255    75.16295
   72    70 S   HC   _H10    86     1.09615   110.65911   -45.26568
   73    70 S   HC   _H11    87     1.09096   111.74734  -162.55651
   74    69 S   CT   _C11    51     1.55838   111.67568    32.94931
   75    74 S   HC   _H6_    52     1.09949   106.78718   -75.81078
   76    69 S   OS   _O38    69     1.46216   109.37801   -81.71546
   77    74 S   CM   _C12    53     1.50719   117.51292   172.52273
   78    77 S   HC   _H14    54     1.08295   121.92347    41.17980
   79    76 S   CO   _C21    70     1.44001   115.73493   -42.21292
   80    77 S   CM   _C13    55     1.33478   115.07863  -145.93089
   81    79 S   CA   _C22    71     1.51363   107.42312   177.63470
   82    80 S   CO4  _C14    56     1.47387   105.53893     2.41135
   83    82 S   O    _O33    57     1.22315   122.67399  -173.35465
   84    80 S   CT   _C20    65     1.47741   130.27163  -175.32023
   85    84 S   HC   _H20    66     1.09443   110.59845   119.50794
   86    84 S   HC   _H21    67     1.09476   111.40623    -0.52115
   87    84 S   HC   _H22    68     1.09442   110.45206  -120.45597
   88    81 S   CA   _C23    72     1.40491   120.35345   -82.04829
   89    88 S   HA   _H23    73     1.08790   120.27744    -1.06881
   90    74 S   CT   _C15    58     1.54793   118.50184    46.37137
   91    88 S   CA   _C24    74     1.39631   120.87783   178.66177
   92    91 S   HA   _H24    75     1.08621   119.88916   179.73459
   93    90 S   OH   _O37    63     1.41915   114.12371    38.19417
   94    93 S   HO   _H19    64     0.97175   109.20066    60.26600
   95    91 S   CA   _C25    76     1.39242   120.05948    -0.52786
   96    95 S   HA   _H25    77     1.08598   120.07001  -179.90935
   97    95 S   CA   _C26    78     1.39267   119.84908    -0.29608
   98    97 S   HA   _H26    79     1.08627   119.98246  -179.45249
   99    81 S   CA   _C27    80     1.40400   121.32275    95.20002
  100    99 S   HA   _H27    81     1.08736   120.57767     1.12431
  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
  20   2   1   1  20   7   6  18   7   7   3   2  18   8   5   1
   1   1  16   7  20   9  16   7   6  10   9  12   7   6   2   1
   3   2   1   1  15   5   2   1   1  12   7   6  10   4   7   8
   9   8   3   4   2   1   1   8   4   2   6   3   1   1   5   3
   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    40    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    45    90    40    41    47    42    43    44    49  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    45    46    51    69    74    82    90    40    41    47    48    93    42    43    44    49    50  
   35    36  
   36  
    0  
   38    39    45    46    51    52    53    60    69    74    90    40    41    47    76    54    42    43    44    49  
   39    45    46    51    69    40    42  
   45    46    51    69    40    42  
   41    47    48    93    94    42    43    44    49    45    69    74    75    77    80    82    83    90  
   47    48    93    42    74    82    90  
   43    44    49    50    45    47    90  
   44    49    50  
   49    50  
   46    51    52    53    55    60    61    69    74    75    77    90    76    79    54    58    70    59  
   51    52    53    60    69    74    76    54  
   48    93    74    82    90  
   90  
   50  
    0  
   52    53    55    56    57    60    69    74    76    79    81    54    58    59    62    65  
   53    55    69    79    54    58    59  
   55    56    57    60    61    69    76    79    81    54    58    70    59    62    63    64    65    66    67    68  
   58    59    55    69    76    79    81    88    99  
   56    57    60    61    69    74    76    79    58    70    71    72    73    59    62    65  
   57    60    61    69    58    70    59  
   60    61    69    58    70    59  
   59    62    65    60    69    76    79    81    88    99  
   62    63    64    65    66    67    68    60    79  
   61    69    74    75    77    90    76    79    70    71    72    73  
   69    74    76    70    71    72    73  
   63    64    65    66    67    68  
   64    65  
   65  
   66    67    68  
   67    68  
   68  
    0  
   74    75    77    78    80    82    90    93    76    79    81    70    71    72    73  
   71    72    73    74    76  
   72    73  
   73  
    0  
   75    77    78    80    82    83    90    93    94    84    76    79  
   77    78    80    82    90    93    76  
   79    81    88    99    77    90  
   78    80    82    83    90    93    84    85    86    87  
   80    82    90    84  
   81    88    89    91    97    99   100  
   82    83    90    93    84    85    86    87  
   88    89    91    92    95    97    98    99   100  
   83    90    93    94    84    85    86    87  
   90    93    84  
   85    86    87    90  
   86    87  
   87  
    0  
   89    91    92    95    96    97    99   100  
   91    92    95    99  
   93    94  
   92    95    96    97    98    99  
   95    96    97  
   94  
    0  
   96    97    98    99   100  
   97    98    99  
   98    99   100  
   99   100  
  100  
    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   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   38   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   39   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.269000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660   0.715000   1.9750   1.7500   0.005000000  -0.741685710
   80   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   81   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   82   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   89   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   90   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   91   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   92   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   93   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   94   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   95   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   96   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   97   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   98   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   99   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
  100   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    40   268.000  1.529
   33    42   268.000  1.529
   37    38   570.000  1.307
   37    39   340.000  1.090
   37    45   268.000  1.529
   45    46   340.000  1.090
   45    51   268.000  1.529
   45    69   268.000  1.529
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    54   320.000  1.410
   53    55   268.000  1.529
   53    58   320.000  1.410
   53    59   317.000  1.510
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    60   268.000  1.529
   60    61   340.000  1.090
   60    69   268.000  1.529
   60    70   268.000  1.529
   69    74   268.000  1.529
   69    76   320.000  1.410
   74    75   340.000  1.090
   74    77   317.000  1.510
   74    90   268.000  1.529
   77    78   340.000  1.080
   77    80   549.000  1.340
   80    82   320.000  1.462
   80    84   317.000  1.510
   82    83   570.000  1.229
   82    90   317.000  1.522
   90    40   268.000  1.529
   90    93   320.000  1.410
   40    41   340.000  1.090
   40    47   320.000  1.410
   47    48   553.000  0.945
   93    94   553.000  0.945
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   76    79   320.000  1.380
   79    81   270.000  1.504
   79    54   320.000  1.380
   79    58   320.000  1.380
   81    88   469.000  1.400
   81    99   469.000  1.400
   88    89   367.000  1.080
   88    91   469.000  1.400
   91    92   367.000  1.080
   91    95   469.000  1.400
   95    96   367.000  1.080
   95    97   469.000  1.400
   97    98   367.000  1.080
   97    99   469.000  1.400
   99   100   367.000  1.080
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   59    62   549.000  1.340
   59    65   317.000  1.510
   62    63   340.000  1.080
   62    64   340.000  1.080
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    49   320.000  1.410
   49    50   553.000  0.945
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    40    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    38    50.00000  109.50000
   33    37    39    37.50000  110.70000
   33    37    45    58.35000  112.70000
   33    40    90    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    47    50.00000  109.50000
   33    42    43    37.50000  110.70000
   33    42    44    37.50000  110.70000
   33    42    49    50.00000  109.50000
   37    45    46    37.50000  110.70000
   37    45    51    58.35000  112.70000
   37    45    69    58.35000  112.70000
   39    37    38    45.00000  125.66300
   45    37    38    50.00000  109.50000
   45    37    39    37.50000  110.70000
   45    51    52    37.50000  110.70000
   45    51    53    58.35000  112.70000
   45    51    54    50.00000  109.50000
   45    69    60    58.35000  112.70000
   45    69    74    58.35000  112.70000
   45    69    76    50.00000  109.50000
   51    45    46    37.50000  110.70000
   51    53    55    58.35000  112.70000
   51    53    58    50.00000  109.50000
   51    53    59    70.00000  112.02700
   51    54    79    60.00000  109.50000
   53    51    52    37.50000  110.70000
   53    55    56    37.50000  110.70000
   53    55    57    37.50000  110.70000
   53    55    60    58.35000  112.70000
   53    58    79    60.00000  109.50000
   53    59    62    70.00000  124.00000
   53    59    65    65.00000  117.92700
   55    60    61    37.50000  110.70000
   55    60    69    58.35000  112.70000
   55    60    70    58.35000  112.70000
   57    55    56    33.00000  107.80000
   60    55    56    37.50000  110.70000
   60    55    57    37.50000  110.70000
   60    69    74    58.35000  112.70000
   60    69    76    50.00000  109.50000
   60    70    71    37.50000  110.70000
   60    70    72    37.50000  110.70000
   60    70    73    37.50000  110.70000
   69    45    46    37.50000  110.70000
   69    45    51    58.35000  112.70000
   69    60    61    37.50000  110.70000
   69    74    75    37.50000  110.70000
   69    74    77    70.00000  112.02700
   69    74    90    58.35000  112.70000
   69    76    79    60.00000  109.50000
   74    77    78    35.00000  117.00000
   74    77    80    70.00000  124.00000
   74    90    82    63.00000  111.10000
   74    90    40    58.35000  112.70000
   74    90    93    50.00000  109.50000
   77    74    75    35.00000  109.50000
   77    80    82    65.00000  118.96000
   77    80    84    70.00000  124.00000
   80    77    78    35.00000  120.00000
   80    82    83    80.00000  123.72100
   80    82    90    65.00000  118.62400
   80    84    85    35.00000  109.50000
   80    84    86    35.00000  109.50000
   80    84    87    35.00000  109.50000
   82    90    40    63.00000  111.10000
   82    90    93    90.00000  109.61100
   90    74    75    37.50000  110.70000
   90    74    77    70.00000  112.02700
   90    82    83    80.00000  120.40000
   90    40    41    37.50000  110.70000
   90    40    47    50.00000  109.50000
   90    93    94    55.00000  108.50000
   40    33    37    58.35000  112.70000
   40    47    48    55.00000  108.50000
   47    40    41    35.00000  109.50000
   93    90    40    50.00000  109.50000
   84    80    82    65.00000  116.34900
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   76    69    74    50.00000  109.50000
   76    79    81    90.00000  107.97000
   76    79    54    92.60000  111.55000
   76    79    58    92.60000  111.55000
   79    81    88    60.00000  120.68000
   79    81    99    60.00000  120.68000
   81    88    89    35.00000  120.00000
   81    88    91    63.00000  120.00000
   81    99    97    63.00000  120.00000
   81    99   100    35.00000  120.00000
   88    91    92    35.00000  120.00000
   88    91    95    63.00000  120.00000
   91    88    89    35.00000  120.00000
   91    95    96    35.00000  120.00000
   91    95    97    63.00000  120.00000
   95    91    92    35.00000  120.00000
   95    97    98    35.00000  120.00000
   95    97    99    63.00000  120.00000
   97    95    96    35.00000  120.00000
   97    99   100    35.00000  120.00000
   99    81    88    63.00000  120.00000
   99    97    98    35.00000  120.00000
   54    51    52    35.00000  109.50000
   54    51    53    50.00000  109.50000
   54    79    81    90.00000  107.97000
   58    53    55    50.00000  109.50000
   58    79    81    90.00000  107.97000
   58    79    54    92.60000  111.55000
   70    60    61    37.50000  110.70000
   70    60    69    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   59    53    55    70.00000  112.02700
   59    53    58    85.00000  110.90400
   59    62    63    35.00000  120.00000
   59    62    64    35.00000  120.00000
   59    65    66    35.00000  109.50000
   59    65    67    35.00000  109.50000
   59    65    68    35.00000  109.50000
   64    62    63    35.00000  117.00000
   65    59    62    70.00000  124.00000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   42    33    37    58.35000  112.70000
   42    33    40    58.35000  112.70000
   42    49    50    55.00000  108.50000
   44    42    43    33.00000  107.80000
   49    42    43    35.00000  109.50000
   49    42    44    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
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   98    97    99    81   3.62500 -1.0 2.0
   98    97    99   100   3.62500 -1.0 2.0
   99    81    88    89   3.62500 -1.0 2.0
   99    81   -88    91   3.62500 -1.0 2.0
   54    51    53    55   0.62750  1.0 1.0
   54    51    53    55  -0.30950 -1.0 2.0
   54    51    53    55   0.27300  1.0 3.0
   54    51   -53    58   1.11900  1.0 1.0
   54    51   -53    58  -1.16350 -1.0 2.0
   54    51   -53    58  -0.34150  1.0 3.0
   54    51    53    59   0.61850  1.0 1.0
   54    51    53    59  -0.22750 -1.0 2.0
   54    51    53    59   0.15300  1.0 3.0
   54    79    81    88   0.64500  1.0 1.0
   54    79    81    88   0.14800 -1.0 2.0
   54    79    81    88   0.20650  1.0 3.0
   54    79    81    99   0.64500  1.0 1.0
   54    79    81    99   0.14800 -1.0 2.0
   54    79    81    99   0.20650  1.0 3.0
   54    79   -58    53  -0.53350  1.0 1.0
   54    79   -58    53  -0.78350 -1.0 2.0
   54    79   -58    53   0.33750  1.0 3.0
   58    53    55    56   0.23400  1.0 3.0
   58    53    55    57   0.23400  1.0 3.0
   58    53    55    60   0.62750  1.0 1.0
   58    53    55    60  -0.30950 -1.0 2.0
   58    53    55    60   0.27300  1.0 3.0
   58    53    59    62   0.39000  1.0 1.0
   58    53    59    62  -0.05800 -1.0 2.0
   58    53    59    62  -0.55150  1.0 3.0
   58    53    59    65   0.09700  1.0 1.0
   58    53    59    65   0.15600 -1.0 2.0
   58    53    59    65  -0.50800  1.0 3.0
   58    79    81    88   0.64500  1.0 1.0
   58    79    81    88   0.14800 -1.0 2.0
   58    79    81    88   0.20650  1.0 3.0
   58    79    81    99   0.64500  1.0 1.0
   58    79    81    99   0.14800 -1.0 2.0
   58    79    81    99   0.20650  1.0 3.0
   58    79   -54    51  -0.53350  1.0 1.0
   58    79   -54    51  -0.78350 -1.0 2.0
   58    79   -54    51   0.33750  1.0 3.0
   70    60    69    45   0.56750  1.0 1.0
   70    60    69    45  -0.07550 -1.0 2.0
   70    60    69    45   0.20000  1.0 3.0
   70    60    69    74   0.56750  1.0 1.0
   70    60    69    74  -0.07550 -1.0 2.0
   70    60    69    74   0.20000  1.0 3.0
   70    60    69    76   0.62750  1.0 1.0
   70    60    69    76  -0.30950 -1.0 2.0
   70    60    69    76   0.27300  1.0 3.0
   59    53    55    56   0.15000  1.0 3.0
   59    53    55    57   0.15000  1.0 3.0
   59    53    55    60   0.34400  1.0 1.0
   59    53    55    60   0.09450 -1.0 2.0
   59    53    55    60   0.11100  1.0 3.0
   59    53    58    79  -0.77900  1.0 1.0
   59    53    58    79  -0.36900 -1.0 2.0
   59    53    58    79   0.40400  1.0 3.0
   62    59    65    66   0.00000  1.0 1.0
   62    59    65    67   0.00000  1.0 1.0
   62    59    65    68   0.00000  1.0 1.0
   65    59    62    63   7.00000 -1.0 2.0
   65    59    62    64   7.00000 -1.0 2.0
   42    33    37    38   0.62750  1.0 1.0
   42    33    37    38  -0.30950 -1.0 2.0
   42    33    37    38   0.27300  1.0 3.0
   42    33    37    39   0.15000  1.0 3.0
   42    33    37    45   0.56750  1.0 1.0
   42    33    37    45  -0.07550 -1.0 2.0
   42    33    37    45   0.20000  1.0 3.0
   42    33    40    90   0.56750  1.0 1.0
   42    33    40    90  -0.07550 -1.0 2.0
   42    33    40    90   0.20000  1.0 3.0
   42    33    40    41   0.15000  1.0 3.0
   42    33    40    47   0.86500  1.0 1.0
   42    33    40    47  -0.17500 -1.0 2.0
   42    33    40    47   0.20800  1.0 3.0
   43    42    49    50   0.19450  1.0 3.0
   44    42    49    50   0.19450  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
   74    78    77    80   1.10000 -1.0 2.0
   82    84    80    77   1.10000 -1.0 2.0
   80    90    82    83  10.50000 -1.0 2.0
   88    99    81    79   4.00000 -1.0 2.0
   91    89    88    81   1.10000 -1.0 2.0
   95    92    91    88   1.10000 -1.0 2.0
   97    96    95    91   1.10000 -1.0 2.0
   99    98    97    95   1.10000 -1.0 2.0
   97   100    99    81   1.10000 -1.0 2.0
   53    65    59    62  15.00000 -1.0 2.0
   63    64    62    59  15.00000 -1.0 2.0
END
