COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       9.329   2.277  -1.549  1.00  0.00           C  
HETATM    2  C   UNL     1       6.490  -0.110  -0.174  1.00  0.00           C  
HETATM    3  C   UNL     1       5.230  -0.739   0.236  1.00  0.00           C  
HETATM    4  C   UNL     1       1.671  -0.159  -0.364  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.981  -0.182  -0.191  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.390   0.124   0.012  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.857   2.556  -0.123  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.893   5.069   0.509  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.368   6.439   0.853  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.183   3.137   1.088  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.043  -2.325   0.367  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.493  -5.045   0.854  1.00  0.00           C  
HETATM   13  C   UNL     1       8.360   1.268  -0.990  1.00  0.00           C  
HETATM   14  S   UNL     1       6.664   1.474  -0.926  1.00  0.00           S  
HETATM   15  N   UNL     1       8.694   0.124  -0.485  1.00  0.00           N  
HETATM   16  C   UNL     1       7.731  -0.641  -0.038  1.00  0.00           C  
HETATM   17  O   UNL     1       5.239  -1.842   0.748  1.00  0.00           O  
HETATM   18  N   UNL     1       4.062  -0.094   0.046  1.00  0.00           N  
HETATM   19  C   UNL     1       2.803  -0.722   0.456  1.00  0.00           C  
HETATM   20  C   UNL     1       2.550  -0.438   1.938  1.00  0.00           C  
HETATM   21  C   UNL     1       3.633  -1.115   2.779  1.00  0.00           C  
HETATM   22  C   UNL     1       3.453  -0.729   4.249  1.00  0.00           C  
HETATM   23  C   UNL     1       3.517  -2.634   2.633  1.00  0.00           C  
HETATM   24  O   UNL     1       1.893   0.683  -1.208  1.00  0.00           O  
HETATM   25  N   UNL     1       0.411  -0.592  -0.160  1.00  0.00           N  
HETATM   26  C   UNL     1      -0.690  -0.045  -0.957  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.796  -0.814  -2.276  1.00  0.00           C  
HETATM   28  O   UNL     1      -1.160  -2.170  -2.009  1.00  0.00           O  
HETATM   29  C   UNL     1      -1.286  -2.979  -3.180  1.00  0.00           C  
HETATM   30  O   UNL     1      -1.981  -0.686   0.912  1.00  0.00           O  
HETATM   31  N   UNL     1      -3.135   0.257  -0.732  1.00  0.00           N  
HETATM   32  C   UNL     1      -4.978  -1.268  -0.224  1.00  0.00           C  
HETATM   33  S   UNL     1      -4.741  -3.975   0.087  1.00  0.00           S  
HETATM   34  O   UNL     1      -5.950  -4.087   0.826  1.00  0.00           O  
HETATM   35  O   UNL     1      -4.757  -4.228  -1.311  1.00  0.00           O  
HETATM   36  C   UNL     1      -5.382   1.186  -0.467  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.053   3.234  -1.020  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.571   4.490  -0.705  1.00  0.00           C  
HETATM   39  N   UNL     1      -4.320   7.458   0.393  1.00  0.00           N  
HETATM   40  C   UNL     1      -4.707   4.396   1.401  1.00  0.00           C  
HETATM   41  H   UNL     1       9.649   2.952  -0.756  1.00  0.00           H  
HETATM   42  H   UNL     1      10.196   1.760  -1.959  1.00  0.00           H  
HETATM   43  H   UNL     1       8.841   2.850  -2.338  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.197   0.261   1.077  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.243   6.519   1.933  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.406   6.593   0.364  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.811   2.608   1.789  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.067  -2.256  -0.113  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.933  -2.154   1.438  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.400  -4.794   1.911  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.797  -6.087   0.753  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.534  -4.897   0.359  1.00  0.00           H  
HETATM   53  H   UNL     1       7.908  -1.612   0.401  1.00  0.00           H  
HETATM   54  H   UNL     1       4.054   0.786  -0.362  1.00  0.00           H  
HETATM   55  H   UNL     1       2.866  -1.798   0.298  1.00  0.00           H  
HETATM   56  H   UNL     1       2.575   0.638   2.111  1.00  0.00           H  
HETATM   57  H   UNL     1       1.572  -0.828   2.221  1.00  0.00           H  
HETATM   58  H   UNL     1       4.616  -0.791   2.436  1.00  0.00           H  
HETATM   59  H   UNL     1       2.471  -1.053   4.592  1.00  0.00           H  
HETATM   60  H   UNL     1       4.225  -1.212   4.848  1.00  0.00           H  
HETATM   61  H   UNL     1       3.536   0.353   4.353  1.00  0.00           H  
HETATM   62  H   UNL     1       2.535  -2.958   2.976  1.00  0.00           H  
HETATM   63  H   UNL     1       3.645  -2.909   1.586  1.00  0.00           H  
HETATM   64  H   UNL     1       4.289  -3.116   3.232  1.00  0.00           H  
HETATM   65  H   UNL     1       0.233  -1.266   0.515  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.500   1.008  -1.165  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.555  -0.352  -2.906  1.00  0.00           H  
HETATM   68  H   UNL     1       0.166  -0.790  -2.789  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.056  -2.562  -3.829  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.334  -3.000  -3.711  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.564  -3.993  -2.893  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.135   0.660  -1.614  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.954  -1.336   0.257  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.088  -1.439  -1.295  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.506   1.105  -1.547  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.343   1.032   0.022  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.801   2.781  -1.968  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.935   5.016  -1.402  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.990   8.386   0.612  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.502   7.364  -0.595  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.962   4.851   2.347  1.00  0.00           H  
CONECT    1   13   41   42   43                                       
CONECT    2   16   16    3   14                                       
CONECT    3    2   17   17   18                                       
CONECT    4   19   24   24   25                                       
CONECT    5   26   30   30   31                                       
CONECT    6   31   36   32   44                                       
CONECT    7   10   37   37   36                                       
CONECT    8   40    9   38   38                                       
CONECT    9   39    8   45   46                                       
CONECT   10   40   40    7   47                                       
CONECT   11   32   33   48   49                                       
CONECT   12   33   50   51   52                                       
CONECT   13   15   15    1   14                                       
CONECT   14   13    2                                                 
CONECT   15   16   13   13                                            
CONECT   16   15    2    2   53                                       
CONECT   17    3    3                                                 
CONECT   18    3   19   54                                            
CONECT   19   18   20    4   55                                       
CONECT   20   21   19   56   57                                       
CONECT   21   22   23   20   58                                       
CONECT   22   21   59   60   61                                       
CONECT   23   21   62   63   64                                       
CONECT   24    4    4                                                 
CONECT   25    4   26   65                                            
CONECT   26   25   27    5   66                                       
CONECT   27   26   28   67   68                                       
CONECT   28   27   29                                                 
CONECT   29   28   69   70   71                                       
CONECT   30    5    5                                                 
CONECT   31    5    6   72                                            
CONECT   32    6   11   73   74                                       
CONECT   33   12   11   34   34                                       
CONECT   33   35   35                                                 
CONECT   34   33   33                                                 
CONECT   35   33   33                                                 
CONECT   36    6    7   75   76                                       
CONECT   37    7    7   38   77                                       
CONECT   38    8    8   37   78                                       
CONECT   39    9   79   80                                            
CONECT   40   10   10    8   81                                       
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    6                                                      
CONECT   45    9                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   12                                                      
CONECT   52   12                                                      
CONECT   53   16                                                      
CONECT   54   18                                                      
CONECT   55   19                                                      
CONECT   56   20                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   22                                                      
CONECT   61   22                                                      
CONECT   62   23                                                      
CONECT   63   23                                                      
CONECT   64   23                                                      
CONECT   65   25                                                      
CONECT   66   26                                                      
CONECT   67   27                                                      
CONECT   68   27                                                      
CONECT   69   29                                                      
CONECT   70   29                                                      
CONECT   71   29                                                      
CONECT   72   31                                                      
CONECT   73   32                                                      
CONECT   74   32                                                      
CONECT   75   36                                                      
CONECT   76   36                                                      
CONECT   77   37                                                      
CONECT   78   38                                                      
CONECT   79   39                                                      
CONECT   80   39                                                      
CONECT   81   40                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
