* LIGAND DATABASE FILE (OPLS2005)
*
001     110   114    219    357     661
    1     0 S   NP   _N1_     1    29.43891    96.69062   -17.16424
    2     1 S   H    _HN1     2     1.02781    62.06428   -54.36907
    3     1 S   H    _H1_     3     1.02961   105.74867    48.33838
    4     1 S   H    _H2_     4     1.02838    48.68656   147.41512
    5     1 S   CT   _CA1     5     1.50134   142.88192  -144.89242
    6     5 S   HC   _HA1     6     1.09563   105.27300    11.31842
    7     5 S   CO3  _C1_     7     1.53884   112.24715  -109.02319
    8     7 S   O2Z  _O11     8     1.26371   115.01414   -44.31404
    9     7 S   O2Z  _O12     9     1.26230   114.96843   134.89826
   10     5 S   CT   _CB1    10     1.53110   107.41637   129.36448
   11    10 S   HC   HB11    11     1.09812   109.55266   -48.35289
   12    10 S   HC   HB12    12     1.09835   110.35067    68.22471
   13    10 S   CT   _CG1    13     1.53039   112.65188  -169.48298
   14    13 S   HC   HG11    14     1.09417   110.43631   -56.12329
   15    13 S   HC   HG12    15     1.09611   110.27486    62.60500
   16    13 S   C    _CD1    16     1.51833   111.49429  -177.91747
   17    16 S   O    _OE1    17     1.22798   122.61129   -30.46201
   18    16 S   N    _N2_    18     1.38491   112.31844   151.18131
   19    18 S   H    _HN2    19     1.01575   119.16630    -0.25641
   20    18 S   CT1  _CA2    20     1.46225   123.47760   179.56389
   21    20 S   HC   _HA2    21     1.09739   109.34004   -15.91847
   22    20 S   C    _C2_    22     1.53479   107.91550  -131.38987
   23    22 S   O    _O2_    23     1.23004   122.36244  -144.69256
   24    20 S   CT   _CB2    32     1.53613   111.73351   106.49065
   25    24 S   HC   HB21    33     1.09396   109.50572    53.42456
   26    24 S   HC   HB22    34     1.09420   109.64468   172.21024
   27    22 S   N    _N3_    24     1.38545   113.28665    42.59100
   28    27 S   H    _HN3    25     1.01530   118.91776    -0.48011
   29    24 S   S    _SG2    35     1.82942   111.64835   -68.65529
   30    27 S   CT   _CA3    26     1.45442   123.39799   175.13852
   31    30 S   HC   HA31    27     1.09527   109.17694    25.54638
   32    30 S   HC   HA32    28     1.09494   107.13610   142.54709
   33    29 S   CT   _C22    36     1.87956   102.14639   167.54552
   34    30 S   CO3  _C3_    29     1.52930   113.16086   -97.88413
   35    34 S   O2Z  _O31    30     1.26399   115.43078   -43.74513
   36    34 S   O2Z  _O32    31     1.26359   114.96400   137.19468
   37    33 S   CM   _C7_    37     1.53613   108.65127   -68.44227
   38    33 S   CT   _C19    49     1.55053   109.23371   174.80838
   39    38 S   HC   _H53    50     1.09884   109.59565  -177.77490
   40    33 S   CT   _C28   107     1.54433   108.17483    57.58312
   41    40 S   HC   _H58   108     1.09641   111.89915    56.37798
   42    40 S   HC   _H59   109     1.09444   113.10001   -64.76758
   43    40 S   HC   _H60   110     1.09708   110.60450   175.54297
   44    37 S   CM   _C4_    38     1.34403   123.88896   110.49693
   45    44 S   HC   _H36    39     1.08449   122.03391    -0.52489
   46    38 S   OH   _O35    51     1.42064   111.97043   -59.59181
   47    46 S   HO   _H76    52     0.97316   107.40056   179.79252
   48    44 S   CM   _C5_    40     1.43937   122.85079   178.10390
   49    48 S   HC   _H37    41     1.08428   114.38952  -169.18764
   50    48 S   CM   _C9_    42     1.34964   123.14109    13.35415
   51    50 S   CT   _C21    43     1.55714   118.21272     1.18877
   52    37 S   CM   _C8_    44     1.47695   117.45340   -70.62040
   53    51 S   CT   _C12    53     1.55108   111.14089  -147.79714
   54    53 S   HC   _H39    54     1.09860   109.98681  -162.21009
   55    53 S   HC   _H40    55     1.09776   109.98857    82.15082
   56    51 S   CT   _C27   103     1.55060   110.28814    91.81130
   57    56 S   HC   _H55   104     1.09183   112.79050    77.96025
   58    56 S   HC   _H56   105     1.09618   112.08665   -43.79908
   59    56 S   HC   _H57   106     1.09696   111.01583  -163.71555
   60    52 S   CM   _C6_    45     1.34786   120.54590   -20.14092
   61    60 S   HC   _H38    46     1.08331   123.07999   176.69565
   62    53 S   CT   _C15    56     1.52937   115.66024   -40.54736
   63    62 S   HC   _H45    57     1.09596   106.49877   177.44136
   64    62 S   HC   _H46    58     1.09472   110.25287   -68.90552
   65    60 S   CO4  _C10    47     1.48334   121.83635    -2.77220
   66    65 S   O    _O33    48     1.22942   119.78620   176.84129
   67    62 S   CT   _C26    59     1.55638   112.70672    56.09286
   68    67 S   CT   _C20    60     1.59552   110.06868   179.29835
   69    68 S   HC   _H54    61     1.09843   105.79504    51.31438
   70    50 S   CT   _C23    79     1.56666   121.65677   178.32579
   71    67 S   CT   _C32    99     1.56414   106.43068    59.61709
   72    71 S   HC   _H70   100     1.08970   113.50667   156.64958
   73    71 S   HC   _H71   101     1.09670   111.21641    37.66707
   74    71 S   HC   _H72   102     1.09464   112.36818   -81.91718
   75    68 S   CT   _C18    62     1.55886   111.52145   -61.99280
   76    75 S   HC   _H51    63     1.09548   108.86558   -51.82807
   77    75 S   HC   _H52    64     1.09650   109.74280    62.59324
   78    70 S   CT   _C29    80     1.55576   104.14009   -97.12829
   79    78 S   HC   _H61    81     1.08522   113.26146   171.97645
   80    78 S   HC   _H62    82     1.09751   111.12617    52.40368
   81    78 S   HC   _H63    83     1.08888   113.52310   -68.39818
   82    75 S   CT   _C24    65     1.54642   116.05220  -174.74607
   83    82 S   CT   _C14    66     1.54372   112.32678    46.52929
   84    83 S   HC   _H43    67     1.09695   110.63275  -118.43100
   85    83 S   HC   _H44    68     1.09740   111.43684   125.84274
   86    82 S   CO4  _C11    88     1.54102   107.73205   166.96009
   87    86 S   O    _O34    89     1.22517   124.62835   112.46272
   88    82 S   CT   _C30    95     1.54187   109.93785   -75.87837
   89    88 S   HC   _H64    96     1.09301   112.08564    61.82413
   90    88 S   HC   _H65    97     1.09646   111.32263   -58.34095
   91    88 S   HC   _H66    98     1.09649   111.06664  -177.65565
   92    83 S   CT   _C17    69     1.52906   112.55009     3.90470
   93    92 S   HC   _H49    70     1.09790   109.20322    66.62220
   94    92 S   HC   _H50    71     1.09811   108.68145  -178.64390
   95    86 S   OS   _O36    90     1.36740   110.65002   -66.78502
   96    68 S   CT   _C25    72     1.58158   114.62236   168.93991
   97    95 S   CT   _C33    91     1.43050   115.44021   179.52112
   98    97 S   HC   _H73    92     1.09326   108.08607   179.81129
   99    97 S   HC   _H74    93     1.09418   110.29545    61.13172
  100    97 S   HC   _H75    94     1.09417   110.27457   -61.52235
  101    96 S   CT   _C16    73     1.54452   113.62802     0.89831
  102   101 S   HC   _H47    74     1.09969   109.83628  -162.03048
  103   101 S   HC   _H48    75     1.09705   109.45494    85.82225
  104    96 S   CT   _C31    84     1.55619   111.64144  -119.83938
  105   104 S   HC   _H67    85     1.09247   112.51454   -38.37911
  106   104 S   HC   _H68    86     1.09718   110.98844  -158.55713
  107   104 S   HC   _H69    87     1.09163   112.70551    83.75261
  108   101 S   CT   _C13    76     1.53531   118.03028   -37.62619
  109   108 S   HC   _H41    77     1.09795   104.53193   145.75930
  110   108 S   HC   _H42    78     1.09862   108.37809  -102.36751
  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  12   5   4   3
  17   2   1   1  19  13   6   7   2   1   1   8   4   4   1  10
   3  23  18  13  14   6   5   6   2   1   1   3   2  14   5   4
   1   1  22  26  10  16   7   2   1   1  17   6   5   7   3   2
   1  15  15   7   6  11   3   5   2   1   1  11   4   3   4  10
   3   2   1   1   9   5   4   4   2   1   1   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    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    44    52    65    38    39    46    40    41    42    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    44    45    48    51    52    60    65    66    38    39    46    47    40    41    42    43  
   35    36  
   36  
    0  
   44    45    48    49    50    51    52    60    61    65    38    39    46    53    56    40    41    42    43  
   39    46    47    40    41    42    43    44    52    60    61    65    66  
   46    47    40    60    65    66  
   41    42    43    44    46    52    65  
   42    43  
   43  
    0  
   45    48    49    50    51    52    60    70  
   48    49    50    52  
   47    60    65    66  
   65  
   49    50    51    52    53    67   108    70    78    56  
   50    51    70  
   51    52    60    53    54    55    62    67    68   101   108   109   110    70    78    79    80    81    71    56    57    58    59  
   52    60    61    65    53    54    55    62    63    64    67   108    70    78    56    57    58    59  
   60    61    65    66    53    54    55    62    70    56    57    58    59  
   54    55    62    63    64    67    68    70    71    56    57    58    59    60  
   55    62    63    64    67    56  
   62    63    64    67    56  
   57    58    59    60    62    70  
   58    59  
   59  
    0  
   61    65    66  
   65    66  
   63    64    67    68    69    75    96   108    70    78    71    72    73    74  
   64    67    68    70    71  
   67    68    70    71  
   66  
    0  
   68    69    75    76    77    82    92    96   101   108   109   110    70    78    79    80    81   104    71    72    73    74  
   69    75    76    77    82    83    92    93    94    96   101   102   103   108    70    78   104   105   106   107    86    88    71    72    73    74  
   75    76    77    82    92    96   101    70   104    71  
   78    79    80    81    71    72    73    74    75    96   101   102   103   108   109   110  
   72    73    74    75    78    96   108  
   73    74  
   74  
    0  
   76    77    82    83    84    85    92    96   101   104    86    87    95    88    89    90    91  
   77    82    83    96    86    88  
   82    83    96    86    88  
   79    80    81   101   108   109   110  
   80    81   108  
   81   108  
  108  
   83    84    85    92    93    94    96    86    87    95    97    88    89    90    91  
   84    85    92    93    94    96   101   104    86    87    95    88    89    90    91  
   85    92    93    94    96    86    88  
   92    93    94    96    86    88  
   87    95    97    98    99   100    88    89    90    91    92  
   95    97    88  
   89    90    91    92    95  
   90    91  
   91  
    0  
   93    94    96   101   102   103   108   104   105   106   107  
   94    96   101   104  
   96   101   104  
   97    98    99   100  
  101   102   103   108   109   110   104   105   106   107  
   98    99   100  
   99   100  
  100  
    0  
  102   103   108   109   110   104   105   106   107  
  103   108   109   110   104  
  108   109   110   104  
  105   106   107   108  
  106   107  
  107  
    0  
  109   110  
  110  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   83   3.5000   0.0660  -0.120000   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   87   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   88   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   96   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   97   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   99   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  100   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  101   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  109   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  110   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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   317.000  1.510
   33    38   268.000  1.529
   33    40   268.000  1.529
   37    44   549.000  1.340
   37    52   380.000  1.444
   44    45   340.000  1.080
   44    48   380.000  1.444
   48    49   340.000  1.080
   48    50   549.000  1.340
   50    51   317.000  1.510
   50    70   317.000  1.510
   51    52   317.000  1.510
   51    53   268.000  1.529
   51    56   268.000  1.529
   52    60   549.000  1.340
   60    61   340.000  1.080
   60    65   320.000  1.462
   65    66   570.000  1.229
   65    38   317.000  1.522
   38    39   340.000  1.090
   38    46   320.000  1.410
   46    47   553.000  0.945
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    67   268.000  1.529
   67    68   268.000  1.529
   67    70   268.000  1.529
   67    71   268.000  1.529
   68    69   340.000  1.090
   68    75   268.000  1.529
   68    96   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    82   268.000  1.529
   82    83   268.000  1.529
   82    86   317.000  1.522
   82    88   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    92   268.000  1.529
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    96   268.000  1.529
   96   101   268.000  1.529
   96   104   268.000  1.529
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   108   268.000  1.529
  108   109   340.000  1.090
  108   110   340.000  1.090
  108    70   268.000  1.529
   70    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   340.000  1.090
   86    87   570.000  1.229
   86    95   214.000  1.327
   95    97   320.000  1.410
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    44    70.00000  124.00000
   33    37    52    70.00000  124.00000
   33    38    65    63.00000  111.10000
   33    38    39    37.50000  110.70000
   33    38    46    50.00000  109.50000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   37    44    45    35.00000  120.00000
   37    44    48    70.00000  123.01800
   37    52    51    70.00000  124.00000
   37    52    60    70.00000  123.01800
   44    48    49    35.00000  120.00000
   44    48    50    70.00000  123.01800
   48    44    45    35.00000  120.00000
   48    50    51    70.00000  124.00000
   48    50    70    70.00000  124.00000
   50    48    49    35.00000  120.00000
   50    51    52    70.00000  110.12100
   50    51    53    70.00000  112.02700
   50    51    56    70.00000  112.02700
   50    70    67    70.00000  112.02700
   50    70   108    70.00000  112.02700
   50    70    78    70.00000  112.02700
   51    52    60    70.00000  124.00000
   51    53    54    37.50000  110.70000
   51    53    55    37.50000  110.70000
   51    53    62    58.35000  112.70000
   51    56    57    37.50000  110.70000
   51    56    58    37.50000  110.70000
   51    56    59    37.50000  110.70000
   52    37    44    70.00000  123.01800
   52    60    61    35.00000  120.00000
   52    60    65    65.00000  118.96000
   60    65    66    80.00000  123.72100
   60    65    38    65.00000  118.62400
   65    60    61    40.00000  117.72500
   65    38    39    35.00000  109.50000
   65    38    46    90.00000  109.61100
   38    33    37    70.00000  112.02700
   38    65    66    80.00000  120.40000
   38    46    47    55.00000  108.50000
   46    38    39    35.00000  109.50000
   53    51    52    70.00000  112.02700
   53    62    63    37.50000  110.70000
   53    62    64    37.50000  110.70000
   53    62    67    58.35000  112.70000
   55    53    54    33.00000  107.80000
   62    53    54    37.50000  110.70000
   62    53    55    37.50000  110.70000
   62    67    68    58.35000  112.70000
   62    67    70    58.35000  112.70000
   62    67    71    58.35000  112.70000
   64    62    63    33.00000  107.80000
   67    62    63    37.50000  110.70000
   67    62    64    37.50000  110.70000
   67    68    69    37.50000  110.70000
   67    68    75    58.35000  112.70000
   67    68    96    58.35000  112.70000
   67    70   108    58.35000  112.70000
   67    70    78    58.35000  112.70000
   67    71    72    37.50000  110.70000
   67    71    73    37.50000  110.70000
   67    71    74    37.50000  110.70000
   68    75    76    37.50000  110.70000
   68    75    77    37.50000  110.70000
   68    75    82    58.35000  112.70000
   68    96    92    58.35000  112.70000
   68    96   101    58.35000  112.70000
   68    96   104    58.35000  112.70000
   75    68    69    37.50000  110.70000
   75    82    83    58.35000  112.70000
   75    82    86    63.00000  111.10000
   75    82    88    58.35000  112.70000
   77    75    76    33.00000  107.80000
   82    75    76    37.50000  110.70000
   82    75    77    37.50000  110.70000
   82    83    84    37.50000  110.70000
   82    83    85    37.50000  110.70000
   82    83    92    58.35000  112.70000
   82    86    87    80.00000  120.40000
   82    86    95    81.00000  111.40000
   82    88    89    37.50000  110.70000
   82    88    90    37.50000  110.70000
   82    88    91    37.50000  110.70000
   83    92    93    37.50000  110.70000
   83    92    94    37.50000  110.70000
   83    92    96    58.35000  112.70000
   85    83    84    33.00000  107.80000
   92    83    84    37.50000  110.70000
   92    83    85    37.50000  110.70000
   92    96   101    58.35000  112.70000
   92    96   104    58.35000  112.70000
   94    92    93    33.00000  107.80000
   96    68    69    37.50000  110.70000
   96    68    75    58.35000  112.70000
   96    92    93    37.50000  110.70000
   96    92    94    37.50000  110.70000
   96   101   102    37.50000  110.70000
   96   101   103    37.50000  110.70000
   96   101   108    58.35000  112.70000
   96   104   105    37.50000  110.70000
   96   104   106    37.50000  110.70000
   96   104   107    37.50000  110.70000
  101   108   109    37.50000  110.70000
  101   108   110    37.50000  110.70000
  101   108    70    58.35000  112.70000
  103   101   102    33.00000  107.80000
  108   101   102    37.50000  110.70000
  108   101   103    37.50000  110.70000
  108    70    78    58.35000  112.70000
  110   108   109    33.00000  107.80000
   70    50    51    65.00000  117.92700
   70    67    68    58.35000  112.70000
   70   108   109    37.50000  110.70000
   70   108   110    37.50000  110.70000
   70    78    79    37.50000  110.70000
   70    78    80    37.50000  110.70000
   70    78    81    37.50000  110.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
  104    96   101    58.35000  112.70000
  106   104   105    33.00000  107.80000
  107   104   105    33.00000  107.80000
  107   104   106    33.00000  107.80000
   86    82    83    63.00000  111.10000
   86    95    97    83.00000  116.90000
   95    86    87    83.00000  123.40000
   95    97    98    35.00000  109.50000
   95    97    99    35.00000  109.50000
   95    97   100    35.00000  109.50000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
   88    82    83    58.35000  112.70000
   88    82    86    63.00000  111.10000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   71    67    68    58.35000  112.70000
   71    67    70    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   56    51    52    70.00000  112.02700
   56    51    53    58.35000  112.70000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   40    33    37    70.00000  112.02700
   40    33    38    58.35000  112.70000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    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
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   85    83    92    93   0.15000  1.0 3.0
   85    83    92    94   0.15000  1.0 3.0
   85    83    92    96   0.15000  1.0 3.0
   92    96   101   102   0.15000  1.0 3.0
   92    96   101   103   0.15000  1.0 3.0
   92    96   101   108   0.56750  1.0 1.0
   92    96   101   108  -0.07550 -1.0 2.0
   92    96   101   108   0.20000  1.0 3.0
   92    96   104   105   0.15000  1.0 3.0
   92    96   104   106   0.15000  1.0 3.0
   92    96   104   107   0.15000  1.0 3.0
   93    92    96    68   0.15000  1.0 3.0
   93    92    96   101   0.15000  1.0 3.0
   93    92    96   104   0.15000  1.0 3.0
   94    92    96    68   0.15000  1.0 3.0
   94    92    96   101   0.15000  1.0 3.0
   94    92    96   104   0.15000  1.0 3.0
   96    68    75    76   0.15000  1.0 3.0
   96    68    75    77   0.15000  1.0 3.0
   96    68   -75    82   0.56750  1.0 1.0
   96    68   -75    82  -0.07550 -1.0 2.0
   96    68   -75    82   0.20000  1.0 3.0
   96   101   108   109   0.15000  1.0 3.0
   96   101   108   110   0.15000  1.0 3.0
   96   101   108    70   0.56750  1.0 1.0
   96   101   108    70  -0.07550 -1.0 2.0
   96   101   108    70   0.20000  1.0 3.0
  101    96   104   105   0.15000  1.0 3.0
  101    96   104   106   0.15000  1.0 3.0
  101    96   104   107   0.15000  1.0 3.0
  101   108    70    50   0.34400  1.0 1.0
  101   108    70    50   0.09450 -1.0 2.0
  101   108    70    50   0.11100  1.0 3.0
  101   108   -70    67   0.56750  1.0 1.0
  101   108   -70    67  -0.07550 -1.0 2.0
  101   108   -70    67   0.20000  1.0 3.0
  101   108    70    78   0.56750  1.0 1.0
  101   108    70    78  -0.07550 -1.0 2.0
  101   108    70    78   0.20000  1.0 3.0
  102   101   108   109   0.15000  1.0 3.0
  102   101   108   110   0.15000  1.0 3.0
  102   101   108    70   0.15000  1.0 3.0
  103   101   108   109   0.15000  1.0 3.0
  103   101   108   110   0.15000  1.0 3.0
  103   101   108    70   0.15000  1.0 3.0
  108    70    78    79   0.15000  1.0 3.0
  108    70    78    80   0.15000  1.0 3.0
  108    70    78    81   0.15000  1.0 3.0
  109   108    70    50   0.15000  1.0 3.0
  109   108    70    67   0.15000  1.0 3.0
  109   108    70    78   0.15000  1.0 3.0
  110   108    70    50   0.15000  1.0 3.0
  110   108    70    67   0.15000  1.0 3.0
  110   108    70    78   0.15000  1.0 3.0
   70    50    51    52   0.09700  1.0 1.0
   70    50    51    52   0.15600 -1.0 2.0
   70    50    51    52  -0.50800  1.0 3.0
   70    50   -51    53   0.46850  1.0 1.0
   70    50   -51    53   0.08550 -1.0 2.0
   70    50   -51    53   0.09800  1.0 3.0
   70    50    51    56   0.46850  1.0 1.0
   70    50    51    56   0.08550 -1.0 2.0
   70    50    51    56   0.09800  1.0 3.0
   70    67    68    69   0.15000  1.0 3.0
   70    67    68    75   0.56750  1.0 1.0
   70    67    68    75  -0.07550 -1.0 2.0
   70    67    68    75   0.20000  1.0 3.0
   70    67   -68    96   0.56750  1.0 1.0
   70    67   -68    96  -0.07550 -1.0 2.0
   70    67   -68    96   0.20000  1.0 3.0
   70    67    71    72   0.15000  1.0 3.0
   70    67    71    73   0.15000  1.0 3.0
   70    67    71    74   0.15000  1.0 3.0
  104    96   101   102   0.15000  1.0 3.0
  104    96   101   103   0.15000  1.0 3.0
  104    96   101   108   0.56750  1.0 1.0
  104    96   101   108  -0.07550 -1.0 2.0
  104    96   101   108   0.20000  1.0 3.0
   86    82    83    84  -0.11250  1.0 3.0
   86    82    83    85  -0.11250  1.0 3.0
   86    82    83    92  -0.95700  1.0 1.0
   86    82    83    92  -0.18200 -1.0 2.0
   86    82    83    92   0.29450  1.0 3.0
   86    82    88    89  -0.11250  1.0 3.0
   86    82    88    90  -0.11250  1.0 3.0
   86    82    88    91  -0.11250  1.0 3.0
   86    95    97    98   0.08050  1.0 3.0
   86    95    97    99   0.08050  1.0 3.0
   86    95    97   100   0.08050  1.0 3.0
   87    86    95    97   3.00000 -1.0 2.0
   88    82    83    84   0.15000  1.0 3.0
   88    82    83    85   0.15000  1.0 3.0
   88    82    83    92   0.56750  1.0 1.0
   88    82    83    92  -0.07550 -1.0 2.0
   88    82    83    92   0.20000  1.0 3.0
   88    82    86    87   0.30150 -1.0 2.0
   88    82    86    95   0.36750  1.0 3.0
   71    67    68    69   0.15000  1.0 3.0
   71    67    68    75   0.56750  1.0 1.0
   71    67    68    75  -0.07550 -1.0 2.0
   71    67    68    75   0.20000  1.0 3.0
   71    67    68    96   0.56750  1.0 1.0
   71    67    68    96  -0.07550 -1.0 2.0
   71    67    68    96   0.20000  1.0 3.0
   71    67    70    50   0.34400  1.0 1.0
   71    67    70    50   0.09450 -1.0 2.0
   71    67    70    50   0.11100  1.0 3.0
   71    67    70   108   0.56750  1.0 1.0
   71    67    70   108  -0.07550 -1.0 2.0
   71    67    70   108   0.20000  1.0 3.0
   71    67    70    78   0.56750  1.0 1.0
   71    67    70    78  -0.07550 -1.0 2.0
   71    67    70    78   0.20000  1.0 3.0
   56    51    52    37   0.98200  1.0 1.0
   56    51    52    37  -0.11900 -1.0 2.0
   56    51    52    37   0.24250  1.0 3.0
   56    51    52    60   0.09850  1.0 1.0
   56    51    52    60   0.15250 -1.0 2.0
   56    51    52    60  -0.50650  1.0 3.0
   56    51    53    54   0.15000  1.0 3.0
   56    51    53    55   0.15000  1.0 3.0
   56    51    53    62   0.56750  1.0 1.0
   56    51    53    62  -0.07550 -1.0 2.0
   56    51    53    62   0.20000  1.0 3.0
   40    33    37    44   0.09850  1.0 1.0
   40    33    37    44   0.15250 -1.0 2.0
   40    33    37    44  -0.50650  1.0 3.0
   40    33    37    52   0.98200  1.0 1.0
   40    33    37    52  -0.11900 -1.0 2.0
   40    33    37    52   0.24250  1.0 3.0
   40    33    38    65  -0.95700  1.0 1.0
   40    33    38    65  -0.18200 -1.0 2.0
   40    33    38    65   0.29450  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    46   0.86500  1.0 1.0
   40    33    38    46  -0.17500 -1.0 2.0
   40    33    38    46   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
   36    30    34    35  10.50000 -1.0 2.0
   33    52    37    44   1.10000 -1.0 2.0
   48    45    44    37   1.10000 -1.0 2.0
   44    49    48    50   1.10000 -1.0 2.0
   51    70    50    48   1.10000 -1.0 2.0
   37    51    52    60   1.10000 -1.0 2.0
   65    61    60    52   1.10000 -1.0 2.0
   60    38    65    66  10.50000 -1.0 2.0
   82    95    86    87  10.50000 -1.0 2.0
END
