COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.315  -2.509   0.597  1.00  0.00           C  
HETATM    2  C   UNL     1       3.929  -2.796   1.177  1.00  0.00           C  
HETATM    3  C   UNL     1       3.731  -2.012   2.488  1.00  0.00           C  
HETATM    4  O   UNL     1      -1.052   4.263  -1.034  1.00  0.00           O  
HETATM    5  C   UNL     1       2.551  -1.042   2.249  1.00  0.00           C  
HETATM    6  O   UNL     1       1.136   3.674  -0.384  1.00  0.00           O  
HETATM    7  O   UNL     1      -0.297   5.183   1.001  1.00  0.00           O  
HETATM    8  O   UNL     1      -3.520  -0.882  -1.855  1.00  0.00           O  
HETATM    9  C   UNL     1       2.524  -0.882   0.717  1.00  0.00           C  
HETATM   10  C   UNL     1       2.829  -2.299   0.202  1.00  0.00           C  
HETATM   11  C   UNL     1       3.320  -2.280  -1.247  1.00  0.00           C  
HETATM   12  O   UNL     1      -5.431  -2.247  -2.073  1.00  0.00           O  
HETATM   13  C   UNL     1       1.621  -3.218   0.397  1.00  0.00           C  
HETATM   14  C   UNL     1       0.373  -2.613  -0.241  1.00  0.00           C  
HETATM   15  C   UNL     1       0.057  -1.289   0.462  1.00  0.00           C  
HETATM   16  C   UNL     1       1.209  -0.339   0.214  1.00  0.00           C  
HETATM   17  O   UNL     1      -5.705   0.067  -2.430  1.00  0.00           O  
HETATM   18  O   UNL     1      -4.407  -1.078  -4.031  1.00  0.00           O  
HETATM   19  O   UNL     1      -5.572  -0.087   3.505  1.00  0.00           O  
HETATM   20  S   UNL     1      -5.584  -0.105   2.084  1.00  0.00           S  
HETATM   21  O   UNL     1      -6.016  -1.506   1.676  1.00  0.00           O  
HETATM   22  O   UNL     1      -6.354   0.797   1.302  1.00  0.00           O  
HETATM   23  O   UNL     1      -4.138   0.067   1.640  1.00  0.00           O  
HETATM   24  C   UNL     1      -3.982   0.265   0.233  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.820   1.227  -0.020  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.533   0.636   0.558  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.370   1.597   0.302  1.00  0.00           C  
HETATM   28  O   UNL     1      -0.643   2.852   0.927  1.00  0.00           O  
HETATM   29  S   UNL     1      -0.123   4.055   0.154  1.00  0.00           S  
HETATM   30  C   UNL     1       0.916   1.006   0.882  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.679  -1.085  -0.450  1.00  0.00           C  
HETATM   32  S   UNL     1      -4.788  -1.125  -2.662  1.00  0.00           S  
HETATM   33  C   UNL     1      -2.390  -1.672   0.129  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.232  -0.703  -0.119  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.061  -0.487  -1.624  1.00  0.00           C  
HETATM   36  C   UNL     1       6.386  -3.074   1.532  1.00  0.00           C  
HETATM   37  C   UNL     1       5.506  -0.997   0.458  1.00  0.00           C  
HETATM   38  C   UNL     1       6.857  -0.712  -0.201  1.00  0.00           C  
HETATM   39  C   UNL     1       7.048   0.799  -0.341  1.00  0.00           C  
HETATM   40  C   UNL     1       8.399   1.084  -1.000  1.00  0.00           C  
HETATM   41  C   UNL     1       8.438   0.435  -2.385  1.00  0.00           C  
HETATM   42  C   UNL     1       8.590   2.595  -1.140  1.00  0.00           C  
HETATM   43  C   UNL     1       9.521   0.506  -0.135  1.00  0.00           C  
HETATM   44  H   UNL     1       5.403  -2.978  -0.383  1.00  0.00           H  
HETATM   45  H   UNL     1       3.814  -3.865   1.359  1.00  0.00           H  
HETATM   46  H   UNL     1       3.491  -2.698   3.301  1.00  0.00           H  
HETATM   47  H   UNL     1       4.634  -1.451   2.728  1.00  0.00           H  
HETATM   48  H   UNL     1       1.618  -1.477   2.606  1.00  0.00           H  
HETATM   49  H   UNL     1       2.737  -0.084   2.734  1.00  0.00           H  
HETATM   50  H   UNL     1       3.328  -0.211   0.414  1.00  0.00           H  
HETATM   51  H   UNL     1       4.178  -1.612  -1.331  1.00  0.00           H  
HETATM   52  H   UNL     1       3.614  -3.287  -1.544  1.00  0.00           H  
HETATM   53  H   UNL     1       2.520  -1.928  -1.898  1.00  0.00           H  
HETATM   54  H   UNL     1       1.827  -4.184  -0.064  1.00  0.00           H  
HETATM   55  H   UNL     1       1.445  -3.358   1.463  1.00  0.00           H  
HETATM   56  H   UNL     1       0.556  -2.431  -1.300  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.467  -3.299  -0.125  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.056  -1.460   1.533  1.00  0.00           H  
HETATM   59  H   UNL     1       1.304  -0.180  -0.860  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.899   0.687  -0.178  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.700   1.378  -1.093  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.028   2.184   0.460  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.651   0.487   1.631  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.250   1.744  -0.772  1.00  0.00           H  
HETATM   65  H   UNL     1       0.796   0.860   1.956  1.00  0.00           H  
HETATM   66  H   UNL     1       1.745   1.690   0.700  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.504  -1.776  -0.273  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.511  -1.827   1.202  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.175  -2.625  -0.353  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.898   0.098  -2.004  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.129   0.047  -1.810  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.033  -1.453  -2.128  1.00  0.00           H  
HETATM   73  H   UNL     1       6.297  -4.160   1.572  1.00  0.00           H  
HETATM   74  H   UNL     1       7.374  -2.805   1.158  1.00  0.00           H  
HETATM   75  H   UNL     1       6.251  -2.661   2.531  1.00  0.00           H  
HETATM   76  H   UNL     1       4.707  -0.585  -0.159  1.00  0.00           H  
HETATM   77  H   UNL     1       5.479  -0.535   1.444  1.00  0.00           H  
HETATM   78  H   UNL     1       7.656  -1.124   0.415  1.00  0.00           H  
HETATM   79  H   UNL     1       6.885  -1.175  -1.188  1.00  0.00           H  
HETATM   80  H   UNL     1       6.249   1.211  -0.958  1.00  0.00           H  
HETATM   81  H   UNL     1       7.021   1.261   0.646  1.00  0.00           H  
HETATM   82  H   UNL     1       7.639   0.846  -3.002  1.00  0.00           H  
HETATM   83  H   UNL     1       9.400   0.637  -2.855  1.00  0.00           H  
HETATM   84  H   UNL     1       8.302  -0.642  -2.286  1.00  0.00           H  
HETATM   85  H   UNL     1       8.563   3.057  -0.153  1.00  0.00           H  
HETATM   86  H   UNL     1       9.553   2.798  -1.609  1.00  0.00           H  
HETATM   87  H   UNL     1       7.791   3.007  -1.756  1.00  0.00           H  
HETATM   88  H   UNL     1       9.385  -0.571  -0.035  1.00  0.00           H  
HETATM   89  H   UNL     1      10.483   0.708  -0.604  1.00  0.00           H  
HETATM   90  H   UNL     1       9.493   0.968   0.852  1.00  0.00           H  
HETATM   91  H   UNL     1      -0.809   5.010  -1.598  1.00  0.00           H  
HETATM   92  H   UNL     1      -6.929  -1.721   1.913  1.00  0.00           H  
HETATM   93  H   UNL     1      -6.547   0.014  -2.903  1.00  0.00           H  
CONECT    1   36    2   37   44                                       
CONECT    2   10    1    3   45                                       
CONECT    3    2    5   46   47                                       
CONECT    4   29   91                                                 
CONECT    5    9    3   48   49                                       
CONECT    6   29   29                                                 
CONECT    7   29   29                                                 
CONECT    8   32   31                                                 
CONECT    9   16   10    5   50                                       
CONECT   10   11   13    9    2                                       
CONECT   11   10   51   52   53                                       
CONECT   12   32   32                                                 
CONECT   13   14   10   54   55                                       
CONECT   14   15   13   56   57                                       
CONECT   15   34   14   16   58                                       
CONECT   16   15   30    9   59                                       
CONECT   17   32   93                                                 
CONECT   18   32   32                                                 
CONECT   19   20   20                                                 
CONECT   20   22   22   23   19                                       
CONECT   20   19   21                                                 
CONECT   21   20   92                                                 
CONECT   22   20   20                                                 
CONECT   23   24   20                                                 
CONECT   24   31   25   23   60                                       
CONECT   25   24   26   61   62                                       
CONECT   26   25   34   27   63                                       
CONECT   27   26   28   30   64                                       
CONECT   28   27   29                                                 
CONECT   29    7    7   28    6                                       
CONECT   29    6    4                                                 
CONECT   30   27   16   65   66                                       
CONECT   31    8   33   24   67                                       
CONECT   32   12   12   18   18                                       
CONECT   32   17    8                                                 
CONECT   33   31   34   68   69                                       
CONECT   34   35   33   26   15                                       
CONECT   35   34   70   71   72                                       
CONECT   36    1   73   74   75                                       
CONECT   37    1   38   76   77                                       
CONECT   38   37   39   78   79                                       
CONECT   39   38   40   80   81                                       
CONECT   40   42   43   39   41                                       
CONECT   41   40   82   83   84                                       
CONECT   42   40   85   86   87                                       
CONECT   43   40   88   89   90                                       
CONECT   44    1                                                      
CONECT   45    2                                                      
CONECT   46    3                                                      
CONECT   47    3                                                      
CONECT   48    5                                                      
CONECT   49    5                                                      
CONECT   50    9                                                      
CONECT   51   11                                                      
CONECT   52   11                                                      
CONECT   53   11                                                      
CONECT   54   13                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   24                                                      
CONECT   61   25                                                      
CONECT   62   25                                                      
CONECT   63   26                                                      
CONECT   64   27                                                      
CONECT   65   30                                                      
CONECT   66   30                                                      
CONECT   67   31                                                      
CONECT   68   33                                                      
CONECT   69   33                                                      
CONECT   70   35                                                      
CONECT   71   35                                                      
CONECT   72   35                                                      
CONECT   73   36                                                      
CONECT   74   36                                                      
CONECT   75   36                                                      
CONECT   76   37                                                      
CONECT   77   37                                                      
CONECT   78   38                                                      
CONECT   79   38                                                      
CONECT   80   39                                                      
CONECT   81   39                                                      
CONECT   82   41                                                      
CONECT   83   41                                                      
CONECT   84   41                                                      
CONECT   85   42                                                      
CONECT   86   42                                                      
CONECT   87   42                                                      
CONECT   88   43                                                      
CONECT   89   43                                                      
CONECT   90   43                                                      
CONECT   91    4                                                      
CONECT   92   21                                                      
CONECT   93   17                                                      
MASTER        0    0    0    0    0    0    0    0   93    0   93    0
END
