COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      14.948   0.692  -0.003  1.00  0.00           C  
HETATM    2  C   UNL     1     -14.341   3.197   2.955  1.00  0.00           C  
HETATM    3  C   UNL     1     -12.962   3.032   3.066  1.00  0.00           C  
HETATM    4  C   UNL     1      14.102   1.679  -0.474  1.00  0.00           C  
HETATM    5  C   UNL     1      14.438  -0.384   0.700  1.00  0.00           C  
HETATM    6  C   UNL     1     -14.359   0.428  -0.947  1.00  0.00           C  
HETATM    7  C   UNL     1     -15.038   2.604   1.948  1.00  0.00           C  
HETATM    8  C   UNL     1     -12.272   2.278   2.167  1.00  0.00           C  
HETATM    9  C   UNL     1     -15.047   1.187  -0.050  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.697  -0.273   0.248  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.504  -0.720   0.740  1.00  0.00           C  
HETATM   12  C   UNL     1       6.177   0.575   1.369  1.00  0.00           C  
HETATM   13  C   UNL     1     -12.978   0.278  -0.853  1.00  0.00           C  
HETATM   14  C   UNL     1      12.744   1.597  -0.238  1.00  0.00           C  
HETATM   15  C   UNL     1      13.080  -0.476   0.935  1.00  0.00           C  
HETATM   16  C   UNL     1       5.179  -0.125   2.018  1.00  0.00           C  
HETATM   17  C   UNL     1       0.058  -1.621  -1.436  1.00  0.00           C  
HETATM   18  C   UNL     1       5.249  -1.814   0.319  1.00  0.00           C  
HETATM   19  C   UNL     1     -14.361   1.814   1.004  1.00  0.00           C  
HETATM   20  C   UNL     1     -12.957   1.656   1.111  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.027  -0.496  -1.093  1.00  0.00           C  
HETATM   22  C   UNL     1       0.387  -1.399  -0.096  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.133  -1.170  -1.930  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.657  -1.103  -1.318  1.00  0.00           C  
HETATM   25  C   UNL     1       6.715   0.079   0.189  1.00  0.00           C  
HETATM   26  C   UNL     1       6.247  -1.120  -0.335  1.00  0.00           C  
HETATM   27  C   UNL     1     -12.275   0.872   0.157  1.00  0.00           C  
HETATM   28  C   UNL     1      12.228   0.520   0.473  1.00  0.00           C  
HETATM   29  C   UNL     1       4.715  -1.317   1.494  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.678  -0.243  -1.800  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.968  -2.043  -0.538  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.726   0.892  -2.630  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.572   1.547  -2.938  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.355   1.082  -2.427  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.319  -0.019  -1.624  1.00  0.00           C  
HETATM   36  C   UNL     1       1.677  -1.881   0.437  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.571  -3.172   0.199  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.489  -1.410  -3.375  1.00  0.00           C  
HETATM   39  C   UNL     1       4.304   4.630  -0.766  1.00  0.00           C  
HETATM   40  C   UNL     1       6.336   5.752  -0.078  1.00  0.00           C  
HETATM   41  C   UNL     1      -8.141  -1.035  -1.573  1.00  0.00           C  
HETATM   42  C   UNL     1      -8.804  -0.170  -0.500  1.00  0.00           C  
HETATM   43  C   UNL     1       7.782   3.229  -0.500  1.00  0.00           C  
HETATM   44  C   UNL     1       6.280   3.336  -0.234  1.00  0.00           C  
HETATM   45  C   UNL     1     -10.310  -0.101  -0.760  1.00  0.00           C  
HETATM   46  C   UNL     1       9.847   1.910  -0.013  1.00  0.00           C  
HETATM   47  C   UNL     1       8.328   1.961   0.160  1.00  0.00           C  
HETATM   48  N   UNL     1      -4.681  -1.737  -0.582  1.00  0.00           N  
HETATM   49  N   UNL     1      -4.479  -0.691  -1.304  1.00  0.00           N  
HETATM   50  N   UNL     1       7.725   0.784  -0.470  1.00  0.00           N  
HETATM   51  N   UNL     1       1.995  -1.666   1.729  1.00  0.00           N  
HETATM   52  N   UNL     1       5.772   4.597  -0.790  1.00  0.00           N  
HETATM   53  N   UNL     1       6.818  -1.652  -1.592  1.00  0.00           N1+
HETATM   54  O   UNL     1       7.778  -1.104  -2.105  1.00  0.00           O  
HETATM   55  O   UNL     1       2.452  -2.472  -0.290  1.00  0.00           O  
HETATM   56  O   UNL     1      -5.788  -4.004   0.914  1.00  0.00           O  
HETATM   57  O   UNL     1       6.329  -2.637  -2.115  1.00  0.00           O1-
HETATM   58  O   UNL     1       3.565  -3.562   1.915  1.00  0.00           O  
HETATM   59  O   UNL     1       3.492  -1.801   3.687  1.00  0.00           O  
HETATM   60  O   UNL     1      -7.772  -3.351   0.162  1.00  0.00           O  
HETATM   61  O   UNL     1     -10.930   0.707   0.243  1.00  0.00           O  
HETATM   62  S   UNL     1      10.495   0.406   0.769  1.00  0.00           S  
HETATM   63  S   UNL     1       3.442  -2.207   2.326  1.00  0.00           S  
HETATM   64  H   UNL     1      16.010   0.759  -0.189  1.00  0.00           H  
HETATM   65  H   UNL     1     -14.865   3.800   3.682  1.00  0.00           H  
HETATM   66  H   UNL     1     -12.432   3.510   3.878  1.00  0.00           H  
HETATM   67  H   UNL     1      14.503   2.516  -1.026  1.00  0.00           H  
HETATM   68  H   UNL     1      15.102  -1.153   1.067  1.00  0.00           H  
HETATM   69  H   UNL     1     -14.892  -0.052  -1.755  1.00  0.00           H  
HETATM   70  H   UNL     1     -16.107   2.741   1.874  1.00  0.00           H  
HETATM   71  H   UNL     1     -11.203   2.159   2.265  1.00  0.00           H  
HETATM   72  H   UNL     1     -16.118   1.293  -0.138  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.388   0.248   0.895  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.249  -0.548   1.776  1.00  0.00           H  
HETATM   75  H   UNL     1       6.536   1.508   1.777  1.00  0.00           H  
HETATM   76  H   UNL     1     -12.458  -0.330  -1.578  1.00  0.00           H  
HETATM   77  H   UNL     1      12.083   2.368  -0.605  1.00  0.00           H  
HETATM   78  H   UNL     1      12.682  -1.317   1.484  1.00  0.00           H  
HETATM   79  H   UNL     1       4.759   0.260   2.936  1.00  0.00           H  
HETATM   80  H   UNL     1       0.748  -2.142  -2.082  1.00  0.00           H  
HETATM   81  H   UNL     1       4.885  -2.746  -0.088  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.671   1.242  -3.019  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.596   2.419  -3.575  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.438   1.599  -2.670  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.019  -2.358  -3.466  1.00  0.00           H  
HETATM   86  H   UNL     1      -2.127  -0.601  -3.731  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.577  -1.444  -3.972  1.00  0.00           H  
HETATM   88  H   UNL     1       3.955   5.575  -1.184  1.00  0.00           H  
HETATM   89  H   UNL     1       3.912   3.804  -1.359  1.00  0.00           H  
HETATM   90  H   UNL     1       3.955   4.537   0.262  1.00  0.00           H  
HETATM   91  H   UNL     1       6.003   5.737   0.960  1.00  0.00           H  
HETATM   92  H   UNL     1       7.425   5.702  -0.111  1.00  0.00           H  
HETATM   93  H   UNL     1       6.000   6.673  -0.554  1.00  0.00           H  
HETATM   94  H   UNL     1      -8.321  -0.598  -2.556  1.00  0.00           H  
HETATM   95  H   UNL     1      -8.561  -2.040  -1.540  1.00  0.00           H  
HETATM   96  H   UNL     1      -8.624  -0.607   0.482  1.00  0.00           H  
HETATM   97  H   UNL     1      -8.384   0.836  -0.533  1.00  0.00           H  
HETATM   98  H   UNL     1       7.959   3.184  -1.574  1.00  0.00           H  
HETATM   99  H   UNL     1       8.288   4.101  -0.085  1.00  0.00           H  
HETATM  100  H   UNL     1       5.766   2.498  -0.705  1.00  0.00           H  
HETATM  101  H   UNL     1       6.098   3.315   0.841  1.00  0.00           H  
HETATM  102  H   UNL     1     -10.491   0.336  -1.742  1.00  0.00           H  
HETATM  103  H   UNL     1     -10.731  -1.106  -0.727  1.00  0.00           H  
HETATM  104  H   UNL     1      10.092   1.901  -1.075  1.00  0.00           H  
HETATM  105  H   UNL     1      10.296   2.785   0.456  1.00  0.00           H  
HETATM  106  H   UNL     1       8.083   1.970   1.222  1.00  0.00           H  
HETATM  107  H   UNL     1       8.027   0.495  -1.346  1.00  0.00           H  
HETATM  108  H   UNL     1       1.377  -1.195   2.309  1.00  0.00           H  
HETATM  109  H   UNL     1      -6.228  -4.729   1.380  1.00  0.00           H  
CONECT    1    5    4    4   64                                       
CONECT    2    7    3    3   65                                       
CONECT    3    2    2    8   66                                       
CONECT    4    1    1   14   67                                       
CONECT    5   15   15    1   68                                       
CONECT    6    9    9   13   69                                       
CONECT    7   19   19    2   70                                       
CONECT    8   20   20    3   71                                       
CONECT    9    6    6   19   72                                       
CONECT   10   11   11   21   73                                       
CONECT   11   10   10   22   74                                       
CONECT   12   25   25   16   75                                       
CONECT   13    6   27   27   76                                       
CONECT   14   28   28    4   77                                       
CONECT   15    5    5   28   78                                       
CONECT   16   12   29   29   79                                       
CONECT   17   22   22   23   80                                       
CONECT   18   26   26   29   81                                       
CONECT   19    9    7    7   20                                       
CONECT   20   19   27    8    8                                       
CONECT   21   10   35   23   23                                       
CONECT   22   11   36   17   17                                       
CONECT   23   21   21   17   38                                       
CONECT   24   30   30   31   41                                       
CONECT   25   50   12   12   26                                       
CONECT   26   25   53   18   18                                       
CONECT   27   13   13   20   61                                       
CONECT   28   15   62   14   14                                       
CONECT   29   16   16   18   63                                       
CONECT   30   32   49   24   24                                       
CONECT   31   48   48   24   37                                       
CONECT   32   33   33   30   82                                       
CONECT   33   34   32   32   83                                       
CONECT   34   33   35   35   84                                       
CONECT   35   34   34   21   49                                       
CONECT   36   55   55   51   22                                       
CONECT   37   31   60   60   56                                       
CONECT   38   23   85   86   87                                       
CONECT   39   52   88   89   90                                       
CONECT   40   52   91   92   93                                       
CONECT   41   42   24   94   95                                       
CONECT   42   45   41   96   97                                       
CONECT   43   44   47   98   99                                       
CONECT   44   52   43  100  101                                       
CONECT   45   61   42  102  103                                       
CONECT   46   47   62  104  105                                       
CONECT   47   43   46   50  106                                       
CONECT   48   49   31   31                                            
CONECT   49   35   30   48                                            
CONECT   50   47   25  107                                            
CONECT   51   63   36  108                                            
CONECT   52   39   40   44                                            
CONECT   53   54   54   26   57                                       
CONECT   54   53   53                                                 
CONECT   55   36   36                                                 
CONECT   56   37  109                                                 
CONECT   57   53                                                      
CONECT   58   63   63                                                 
CONECT   59   63   63                                                 
CONECT   60   37   37                                                 
CONECT   61   27   45                                                 
CONECT   62   46   28                                                 
CONECT   63   29   58   58   51                                       
CONECT   63   59   59                                                 
CONECT   64    1                                                      
CONECT   65    2                                                      
CONECT   66    3                                                      
CONECT   67    4                                                      
CONECT   68    5                                                      
CONECT   69    6                                                      
CONECT   70    7                                                      
CONECT   71    8                                                      
CONECT   72    9                                                      
CONECT   73   10                                                      
CONECT   74   11                                                      
CONECT   75   12                                                      
CONECT   76   13                                                      
CONECT   77   14                                                      
CONECT   78   15                                                      
CONECT   79   16                                                      
CONECT   80   17                                                      
CONECT   81   18                                                      
CONECT   82   32                                                      
CONECT   83   33                                                      
CONECT   84   34                                                      
CONECT   85   38                                                      
CONECT   86   38                                                      
CONECT   87   38                                                      
CONECT   88   39                                                      
CONECT   89   39                                                      
CONECT   90   39                                                      
CONECT   91   40                                                      
CONECT   92   40                                                      
CONECT   93   40                                                      
CONECT   94   41                                                      
CONECT   95   41                                                      
CONECT   96   42                                                      
CONECT   97   42                                                      
CONECT   98   43                                                      
CONECT   99   43                                                      
CONECT  100   44                                                      
CONECT  101   44                                                      
CONECT  102   45                                                      
CONECT  103   45                                                      
CONECT  104   46                                                      
CONECT  105   46                                                      
CONECT  106   47                                                      
CONECT  107   50                                                      
CONECT  108   51                                                      
CONECT  109   56                                                      
MASTER        0    0    0    0    0    0    0    0  109    0  109    0
END
