COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -9.825  11.487  14.651  1.00  0.00           C  
HETATM    2  C   UNL     1     -13.994  15.070  13.978  1.00  0.00           C  
HETATM    3  C   UNL     1     -14.641  13.273  15.699  1.00  0.00           C  
HETATM    4  C   UNL     1     -10.507  19.511  15.811  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.862  21.791  16.248  1.00  0.00           C  
HETATM    6  C   UNL     1     -10.709  15.788  15.999  1.00  0.00           C  
HETATM    7  C   UNL     1     -10.770  16.673  17.268  1.00  0.00           C  
HETATM    8  C   UNL     1     -10.481  14.290  16.201  1.00  0.00           C  
HETATM    9  C   UNL     1     -11.801  17.730  16.728  1.00  0.00           C  
HETATM   10  C   UNL     1     -12.832  16.981  16.268  1.00  0.00           C  
HETATM   11  C   UNL     1     -12.520  14.944  14.400  1.00  0.00           C  
HETATM   12  C   UNL     1      -9.030  12.347  15.640  1.00  0.00           C  
HETATM   13  C   UNL     1      -8.614  11.644  16.926  1.00  0.00           C  
HETATM   14  C   UNL     1      -8.328  11.548  14.541  1.00  0.00           C  
HETATM   15  C   UNL     1     -14.696  13.723  14.217  1.00  0.00           C  
HETATM   16  C   UNL     1     -13.816  16.672  12.075  1.00  0.00           C  
HETATM   17  C   UNL     1     -15.056  11.776  15.759  1.00  0.00           C  
HETATM   18  C   UNL     1      -9.807  20.172  14.643  1.00  0.00           C  
HETATM   19  C   UNL     1      -9.569  21.157  17.375  1.00  0.00           C  
HETATM   20  C   UNL     1      -9.451  21.671  18.807  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.988  23.026  16.505  1.00  0.00           C  
HETATM   22  C   UNL     1      -9.949  19.620  13.235  1.00  0.00           C  
HETATM   23  C   UNL     1      -8.577  22.876  19.063  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.858  23.549  17.911  1.00  0.00           C  
HETATM   25  C   UNL     1      -9.126  22.608  21.389  1.00  0.00           C  
HETATM   26  C   UNL     1      -8.201  12.818  20.787  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.940  13.626  21.091  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.359  12.473  22.004  1.00  0.00           C  
HETATM   29  C   UNL     1      -9.569  13.481  20.984  1.00  0.00           C  
HETATM   30  C   UNL     1     -10.406  10.063  14.825  1.00  0.00           C  
HETATM   31  C   UNL     1     -11.726   9.820  14.959  1.00  0.00           C  
HETATM   32  C   UNL     1     -12.790  10.930  14.818  1.00  0.00           C  
HETATM   33  C   UNL     1     -13.836  10.829  15.935  1.00  0.00           C  
HETATM   34  C   UNL     1     -13.656  18.103  10.165  1.00  0.00           C  
HETATM   35  C   UNL     1     -12.397  18.497  10.014  1.00  0.00           C  
HETATM   36  C   UNL     1     -11.887  18.029   8.515  1.00  0.00           C  
HETATM   37  C   UNL     1     -13.190  18.076   7.666  1.00  0.00           C  
HETATM   38  C   UNL     1     -14.245  18.178   8.565  1.00  0.00           C  
HETATM   39  F   UNL     1     -12.433  19.882  10.057  1.00  0.00           F  
HETATM   40  N   UNL     1     -11.979  15.827  15.461  1.00  0.00           N  
HETATM   41  N   UNL     1      -9.216  13.777  15.669  1.00  0.00           N  
HETATM   42  N   UNL     1     -14.063  15.342  12.573  1.00  0.00           N  
HETATM   43  N   UNL     1     -10.394  19.991  17.141  1.00  0.00           N  
HETATM   44  N   UNL     1      -8.986  21.323  14.882  1.00  0.00           N  
HETATM   45  N   UNL     1      -8.503  12.431  18.115  1.00  0.00           N  
HETATM   46  O   UNL     1     -11.308  18.412  15.537  1.00  0.00           O  
HETATM   47  O   UNL     1     -11.322  13.579  16.674  1.00  0.00           O  
HETATM   48  O   UNL     1     -11.811  14.131  13.885  1.00  0.00           O  
HETATM   49  O   UNL     1     -13.794  16.793  10.683  1.00  0.00           O  
HETATM   50  O   UNL     1     -13.627  17.582  12.828  1.00  0.00           O  
HETATM   51  O   UNL     1      -8.484  23.345  20.374  1.00  0.00           O  
HETATM   52  O   UNL     1      -8.357  10.464  16.944  1.00  0.00           O  
HETATM   53  O   UNL     1      -6.681  11.111  19.390  1.00  0.00           O  
HETATM   54  O   UNL     1      -8.934  10.471  19.744  1.00  0.00           O  
HETATM   55  S   UNL     1      -8.037  11.605  19.493  1.00  0.00           S  
HETATM   56  H   UNL     1     -10.351  12.077  13.886  1.00  0.00           H  
HETATM   57  H   UNL     1     -14.486  15.859  14.566  1.00  0.00           H  
HETATM   58  H   UNL     1     -13.619  13.394  16.089  1.00  0.00           H  
HETATM   59  H   UNL     1     -15.336  13.878  16.299  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.955  16.190  15.306  1.00  0.00           H  
HETATM   61  H   UNL     1     -11.150  16.125  18.143  1.00  0.00           H  
HETATM   62  H   UNL     1      -9.797  17.124  17.512  1.00  0.00           H  
HETATM   63  H   UNL     1     -12.082  18.435  17.524  1.00  0.00           H  
HETATM   64  H   UNL     1     -13.489  17.553  15.596  1.00  0.00           H  
HETATM   65  H   UNL     1     -13.429  16.554  17.088  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.723  10.668  14.805  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.862  12.073  13.694  1.00  0.00           H  
HETATM   68  H   UNL     1     -15.750  13.818  13.917  1.00  0.00           H  
HETATM   69  H   UNL     1     -14.206  12.957  13.598  1.00  0.00           H  
HETATM   70  H   UNL     1     -15.740  11.633  16.609  1.00  0.00           H  
HETATM   71  H   UNL     1     -15.573  11.515  14.824  1.00  0.00           H  
HETATM   72  H   UNL     1      -9.978  21.186  19.615  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.474  23.513  15.689  1.00  0.00           H  
HETATM   74  H   UNL     1      -9.354  20.230  12.540  1.00  0.00           H  
HETATM   75  H   UNL     1      -9.589  18.581  13.211  1.00  0.00           H  
HETATM   76  H   UNL     1     -11.007  19.649  12.935  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.243  24.416  18.101  1.00  0.00           H  
HETATM   78  H   UNL     1      -8.963  23.100  22.359  1.00  0.00           H  
HETATM   79  H   UNL     1     -10.205  22.559  21.180  1.00  0.00           H  
HETATM   80  H   UNL     1      -8.712  21.590  21.420  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.053  13.526  20.448  1.00  0.00           H  
HETATM   82  H   UNL     1      -7.023  14.665  21.442  1.00  0.00           H  
HETATM   83  H   UNL     1      -7.741  12.683  23.014  1.00  0.00           H  
HETATM   84  H   UNL     1      -6.771  11.543  22.020  1.00  0.00           H  
HETATM   85  H   UNL     1      -9.512  14.201  21.814  1.00  0.00           H  
HETATM   86  H   UNL     1      -9.858  14.007  20.062  1.00  0.00           H  
HETATM   87  H   UNL     1     -10.319  12.711  21.218  1.00  0.00           H  
HETATM   88  H   UNL     1      -9.724   9.226  14.840  1.00  0.00           H  
HETATM   89  H   UNL     1     -12.050   8.812  15.173  1.00  0.00           H  
HETATM   90  H   UNL     1     -12.297  11.911  14.874  1.00  0.00           H  
HETATM   91  H   UNL     1     -13.291  10.827  13.844  1.00  0.00           H  
HETATM   92  H   UNL     1     -14.206   9.794  15.967  1.00  0.00           H  
HETATM   93  H   UNL     1     -13.346  11.073  16.889  1.00  0.00           H  
HETATM   94  H   UNL     1     -14.245  18.818  10.758  1.00  0.00           H  
HETATM   95  H   UNL     1     -11.714  18.073  10.765  1.00  0.00           H  
HETATM   96  H   UNL     1     -11.469  17.012   8.540  1.00  0.00           H  
HETATM   97  H   UNL     1     -11.133  18.726   8.120  1.00  0.00           H  
HETATM   98  H   UNL     1     -13.176  18.949   6.997  1.00  0.00           H  
HETATM   99  H   UNL     1     -13.288  17.157   7.069  1.00  0.00           H  
HETATM  100  H   UNL     1     -14.763  19.136   8.412  1.00  0.00           H  
HETATM  101  H   UNL     1     -14.949  17.350   8.396  1.00  0.00           H  
HETATM  102  H   UNL     1      -8.505  14.397  15.337  1.00  0.00           H  
HETATM  103  H   UNL     1     -14.284  14.605  11.934  1.00  0.00           H  
HETATM  104  H   UNL     1      -8.692  13.413  18.122  1.00  0.00           H  
CONECT    1   14   30   12   56                                       
CONECT    2   42   15   11   57                                       
CONECT    3   15   17   58   59                                       
CONECT    4   18   46   43   43                                       
CONECT    5   44   21   21   19                                       
CONECT    6   40    8    7   60                                       
CONECT    7    6    9   61   62                                       
CONECT    8   41    6   47   47                                       
CONECT    9   46   10    7   63                                       
CONECT   10   40    9   64   65                                       
CONECT   11   48   48    2   40                                       
CONECT   12   14    1   41   13                                       
CONECT   13   12   52   52   45                                       
CONECT   14    1   12   66   67                                       
CONECT   15    2    3   68   69                                       
CONECT   16   49   42   50   50                                       
CONECT   17    3   33   70   71                                       
CONECT   18   22   44   44    4                                       
CONECT   19    5   43   20   20                                       
CONECT   20   19   19   23   72                                       
CONECT   21    5    5   24   73                                       
CONECT   22   18   74   75   76                                       
CONECT   23   24   24   20   51                                       
CONECT   24   21   23   23   77                                       
CONECT   25   51   78   79   80                                       
CONECT   26   55   29   27   28                                       
CONECT   27   26   28   81   82                                       
CONECT   28   26   27   83   84                                       
CONECT   29   26   85   86   87                                       
CONECT   30    1   31   31   88                                       
CONECT   31   32   30   30   89                                       
CONECT   32   31   33   90   91                                       
CONECT   33   32   17   92   93                                       
CONECT   34   38   35   49   94                                       
CONECT   35   36   39   34   95                                       
CONECT   36   37   35   96   97                                       
CONECT   37   36   38   98   99                                       
CONECT   38   37   34  100  101                                       
CONECT   39   35                                                      
CONECT   40   11    6   10                                            
CONECT   41   12    8  102                                            
CONECT   42   16    2  103                                            
CONECT   43    4    4   19                                            
CONECT   44   18   18    5                                            
CONECT   45   13   55  104                                            
CONECT   46    4    9                                                 
CONECT   47    8    8                                                 
CONECT   48   11   11                                                 
CONECT   49   34   16                                                 
CONECT   50   16   16                                                 
CONECT   51   23   25                                                 
CONECT   52   13   13                                                 
CONECT   53   55   55                                                 
CONECT   54   55   55                                                 
CONECT   55   45   53   53   54                                       
CONECT   55   54   26                                                 
CONECT   56    1                                                      
CONECT   57    2                                                      
CONECT   58    3                                                      
CONECT   59    3                                                      
CONECT   60    6                                                      
CONECT   61    7                                                      
CONECT   62    7                                                      
CONECT   63    9                                                      
CONECT   64   10                                                      
CONECT   65   10                                                      
CONECT   66   14                                                      
CONECT   67   14                                                      
CONECT   68   15                                                      
CONECT   69   15                                                      
CONECT   70   17                                                      
CONECT   71   17                                                      
CONECT   72   20                                                      
CONECT   73   21                                                      
CONECT   74   22                                                      
CONECT   75   22                                                      
CONECT   76   22                                                      
CONECT   77   24                                                      
CONECT   78   25                                                      
CONECT   79   25                                                      
CONECT   80   25                                                      
CONECT   81   27                                                      
CONECT   82   27                                                      
CONECT   83   28                                                      
CONECT   84   28                                                      
CONECT   85   29                                                      
CONECT   86   29                                                      
CONECT   87   29                                                      
CONECT   88   30                                                      
CONECT   89   31                                                      
CONECT   90   32                                                      
CONECT   91   32                                                      
CONECT   92   33                                                      
CONECT   93   33                                                      
CONECT   94   34                                                      
CONECT   95   35                                                      
CONECT   96   36                                                      
CONECT   97   36                                                      
CONECT   98   37                                                      
CONECT   99   37                                                      
CONECT  100   38                                                      
CONECT  101   38                                                      
CONECT  102   41                                                      
CONECT  103   42                                                      
CONECT  104   45                                                      
MASTER        0    0    0    0    0    0    0    0  104    0  104    0
END
