COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -4.101   3.086   1.084  1.00  0.00           O  
HETATM    2  C   UNL     1      -3.538   0.737   2.582  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.690  -0.270   2.582  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.163  -1.648   2.176  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.299  -0.350   3.983  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.978  -0.045   0.740  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.600   0.465   1.166  1.00  0.00           C  
HETATM    8  C   UNL     1       0.484  -0.426   0.558  1.00  0.00           C  
HETATM    9  C   UNL     1       2.624   0.514  -0.132  1.00  0.00           C  
HETATM   10  C   UNL     1       4.693   1.351  -0.976  1.00  0.00           C  
HETATM   11  C   UNL     1       4.525   2.856  -1.267  1.00  0.00           C  
HETATM   12  O   UNL     1       8.063   2.798  -0.792  1.00  0.00           O  
HETATM   13  C   UNL     1      -7.111   0.371  -2.035  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.308   1.002  -0.815  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.229   1.521  -0.126  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.955   1.411  -0.650  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.756   0.784  -1.866  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.832   0.263  -2.559  1.00  0.00           C  
HETATM   19  S   UNL     1      -3.581   2.074   0.232  1.00  0.00           S  
HETATM   20  O   UNL     1      -2.564   2.316  -0.731  1.00  0.00           O  
HETATM   21  N   UNL     1      -3.011   0.876   1.223  1.00  0.00           N  
HETATM   22  O   UNL     1      -0.500   0.431   2.592  1.00  0.00           O  
HETATM   23  N   UNL     1       1.804   0.130   0.867  1.00  0.00           N  
HETATM   24  O   UNL     1       2.243   0.462  -1.284  1.00  0.00           O  
HETATM   25  O   UNL     1       3.865   0.955   0.148  1.00  0.00           O  
HETATM   26  O   UNL     1       5.811   3.476  -1.072  1.00  0.00           O  
HETATM   27  C   UNL     1       6.793   2.454  -1.299  1.00  0.00           C  
HETATM   28  C   UNL     1       8.155   2.962   0.623  1.00  0.00           C  
HETATM   29  C   UNL     1       7.760   1.638   1.289  1.00  0.00           C  
HETATM   30  C   UNL     1       6.320   1.310   0.896  1.00  0.00           C  
HETATM   31  C   UNL     1       6.200   1.200  -0.627  1.00  0.00           C  
HETATM   32  C   UNL     1       0.375  -1.835   1.144  1.00  0.00           C  
HETATM   33  C   UNL     1       1.291  -2.783   0.367  1.00  0.00           C  
HETATM   34  C   UNL     1       1.204  -4.186   0.972  1.00  0.00           C  
HETATM   35  C   UNL     1       2.119  -5.134   0.196  1.00  0.00           C  
HETATM   36  C   UNL     1       3.562  -4.631   0.278  1.00  0.00           C  
HETATM   37  C   UNL     1       3.649  -3.229  -0.326  1.00  0.00           C  
HETATM   38  C   UNL     1       3.209  -3.277  -1.791  1.00  0.00           C  
HETATM   39  C   UNL     1       1.767  -3.780  -1.874  1.00  0.00           C  
HETATM   40  C   UNL     1       0.851  -2.831  -1.097  1.00  0.00           C  
HETATM   41  C   UNL     1       2.733  -2.281   0.450  1.00  0.00           C  
HETATM   42  C   UNL     1       1.680  -5.182  -1.269  1.00  0.00           C  
HETATM   43  O   UNL     1      -8.170  -0.145  -2.713  1.00  0.00           O  
HETATM   44  C   UNL     1      -9.459   0.003  -2.113  1.00  0.00           C  
HETATM   45  H   UNL     1      -3.901   1.703   2.932  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.748   0.383   3.245  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.453   0.051   1.872  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.982  -2.368   2.188  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.742  -1.595   1.172  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.392  -1.963   2.878  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.675   0.632   4.272  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.120  -1.067   3.982  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.537  -0.670   4.693  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.024  -0.103  -0.348  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.147  -1.035   1.164  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.468   1.489   0.817  1.00  0.00           H  
HETATM   57  H   UNL     1       0.353  -0.471  -0.523  1.00  0.00           H  
HETATM   58  H   UNL     1       4.444   0.762  -1.859  1.00  0.00           H  
HETATM   59  H   UNL     1       4.196   3.001  -2.296  1.00  0.00           H  
HETATM   60  H   UNL     1       3.796   3.287  -0.580  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.304   1.088  -0.405  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.382   2.012   0.824  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.760   0.700  -2.273  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.676  -0.228  -3.509  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.609  -0.451   2.973  1.00  0.00           H  
HETATM   66  H   UNL     1       2.087   0.222   1.790  1.00  0.00           H  
HETATM   67  H   UNL     1       6.873   2.268  -2.370  1.00  0.00           H  
HETATM   68  H   UNL     1       9.178   3.220   0.897  1.00  0.00           H  
HETATM   69  H   UNL     1       7.478   3.752   0.946  1.00  0.00           H  
HETATM   70  H   UNL     1       8.424   0.844   0.948  1.00  0.00           H  
HETATM   71  H   UNL     1       7.832   1.737   2.372  1.00  0.00           H  
HETATM   72  H   UNL     1       6.028   0.364   1.350  1.00  0.00           H  
HETATM   73  H   UNL     1       5.659   2.100   1.254  1.00  0.00           H  
HETATM   74  H   UNL     1       6.626   0.272  -1.008  1.00  0.00           H  
HETATM   75  H   UNL     1       0.675  -1.817   2.191  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.656  -2.182   1.067  1.00  0.00           H  
HETATM   77  H   UNL     1       1.517  -4.152   2.016  1.00  0.00           H  
HETATM   78  H   UNL     1       0.176  -4.544   0.913  1.00  0.00           H  
HETATM   79  H   UNL     1       2.058  -6.133   0.627  1.00  0.00           H  
HETATM   80  H   UNL     1       3.875  -4.597   1.322  1.00  0.00           H  
HETATM   81  H   UNL     1       4.215  -5.307  -0.275  1.00  0.00           H  
HETATM   82  H   UNL     1       4.677  -2.871  -0.267  1.00  0.00           H  
HETATM   83  H   UNL     1       3.271  -2.277  -2.222  1.00  0.00           H  
HETATM   84  H   UNL     1       3.862  -3.952  -2.344  1.00  0.00           H  
HETATM   85  H   UNL     1       1.453  -3.814  -2.918  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.177  -3.190  -1.157  1.00  0.00           H  
HETATM   87  H   UNL     1       0.913  -1.832  -1.528  1.00  0.00           H  
HETATM   88  H   UNL     1       2.795  -1.281   0.019  1.00  0.00           H  
HETATM   89  H   UNL     1       3.046  -2.246   1.494  1.00  0.00           H  
HETATM   90  H   UNL     1       2.332  -5.858  -1.822  1.00  0.00           H  
HETATM   91  H   UNL     1       0.652  -5.540  -1.328  1.00  0.00           H  
HETATM   92  H   UNL     1     -10.213  -0.452  -2.755  1.00  0.00           H  
HETATM   93  H   UNL     1      -9.466  -0.489  -1.140  1.00  0.00           H  
HETATM   94  H   UNL     1      -9.681   1.062  -1.986  1.00  0.00           H  
CONECT    1   19   19                                                 
CONECT    2   21    3   45   46                                       
CONECT    3    2    4    5   47                                       
CONECT    4    3   48   49   50                                       
CONECT    5    3   51   52   53                                       
CONECT    6   21    7   54   55                                       
CONECT    7    8    6   22   56                                       
CONECT    8   32   23    7   57                                       
CONECT    9   23   24   24   25                                       
CONECT   10   25   31   11   58                                       
CONECT   11   10   26   59   60                                       
CONECT   12   28   27                                                 
CONECT   13   14   43   18   18                                       
CONECT   14   15   15   13   61                                       
CONECT   15   14   14   16   62                                       
CONECT   16   15   17   17   19                                       
CONECT   17   16   16   18   63                                       
CONECT   18   13   13   17   64                                       
CONECT   19   20   20   16    1                                       
CONECT   19    1   21                                                 
CONECT   20   19   19                                                 
CONECT   21   19    6    2                                            
CONECT   22    7   65                                                 
CONECT   23    8    9   66                                            
CONECT   24    9    9                                                 
CONECT   25    9   10                                                 
CONECT   26   27   11                                                 
CONECT   27   12   31   26   67                                       
CONECT   28   29   12   68   69                                       
CONECT   29   30   28   70   71                                       
CONECT   30   29   31   72   73                                       
CONECT   31   30   10   27   74                                       
CONECT   32   33    8   75   76                                       
CONECT   33   40   41   34   32                                       
CONECT   34   35   33   77   78                                       
CONECT   35   42   36   34   79                                       
CONECT   36   37   35   80   81                                       
CONECT   37   38   36   41   82                                       
CONECT   38   39   37   83   84                                       
CONECT   39   38   42   40   85                                       
CONECT   40   39   33   86   87                                       
CONECT   41   37   33   88   89                                       
CONECT   42   39   35   90   91                                       
CONECT   43   13   44                                                 
CONECT   44   43   92   93   94                                       
CONECT   45    2                                                      
CONECT   46    2                                                      
CONECT   47    3                                                      
CONECT   48    4                                                      
CONECT   49    4                                                      
CONECT   50    4                                                      
CONECT   51    5                                                      
CONECT   52    5                                                      
CONECT   53    5                                                      
CONECT   54    6                                                      
CONECT   55    6                                                      
CONECT   56    7                                                      
CONECT   57    8                                                      
CONECT   58   10                                                      
CONECT   59   11                                                      
CONECT   60   11                                                      
CONECT   61   14                                                      
CONECT   62   15                                                      
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   27                                                      
CONECT   68   28                                                      
CONECT   69   28                                                      
CONECT   70   29                                                      
CONECT   71   29                                                      
CONECT   72   30                                                      
CONECT   73   30                                                      
CONECT   74   31                                                      
CONECT   75   32                                                      
CONECT   76   32                                                      
CONECT   77   34                                                      
CONECT   78   34                                                      
CONECT   79   35                                                      
CONECT   80   36                                                      
CONECT   81   36                                                      
CONECT   82   37                                                      
CONECT   83   38                                                      
CONECT   84   38                                                      
CONECT   85   39                                                      
CONECT   86   40                                                      
CONECT   87   40                                                      
CONECT   88   41                                                      
CONECT   89   41                                                      
CONECT   90   42                                                      
CONECT   91   42                                                      
CONECT   92   44                                                      
CONECT   93   44                                                      
CONECT   94   44                                                      
MASTER        0    0    0    0    0    0    0    0   94    0   94    0
END
