COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.409   0.765   0.530  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.974   0.693   0.571  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.629  -3.276   1.553  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.664  -1.965   2.396  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.754   0.495   0.139  1.00  0.00           C  
HETATM    6  C   UNL     1       1.713  -0.783  -0.898  1.00  0.00           C  
HETATM    7  C   UNL     1       0.425  -0.315  -0.351  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.780   1.283   1.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.981  -2.283  -0.108  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.433  -0.237  -0.104  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.758  -1.639  -0.624  1.00  0.00           C  
HETATM   12  O   UNL     1      -4.141  -3.193  -0.893  1.00  0.00           O  
HETATM   13  O   UNL     1      -3.971   3.425   1.127  1.00  0.00           O  
HETATM   14  N   UNL     1      -3.190   1.384   0.577  1.00  0.00           N  
HETATM   15  N   UNL     1      -3.152  -1.221  -0.255  1.00  0.00           N  
HETATM   16  N   UNL     1      -5.456   0.965  -0.906  1.00  0.00           N  
HETATM   17  N   UNL     1      -5.471  -0.864   1.163  1.00  0.00           N  
HETATM   18  O   UNL     1      -7.239  -0.083   2.289  1.00  0.00           O  
HETATM   19  O   UNL     1      -7.162   0.669  -2.289  1.00  0.00           O  
HETATM   20  C   UNL     1      -1.962  -0.500  -0.194  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.887   2.315  -0.822  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.978   2.455   0.400  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.698  -2.094   1.276  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.754  -0.965  -0.725  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.717  -0.382   1.237  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.075   2.597  -2.088  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.674   0.503  -1.191  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.025   3.333  -0.721  1.00  0.00           C  
HETATM   29  N   UNL     1       2.859  -0.167  -0.546  1.00  0.00           N  
HETATM   30  C   UNL     1       4.138  -0.631  -1.089  1.00  0.00           C  
HETATM   31  C   UNL     1       5.271   0.233  -0.533  1.00  0.00           C  
HETATM   32  C   UNL     1       6.607  -0.252  -1.101  1.00  0.00           C  
HETATM   33  C   UNL     1       7.741   0.613  -0.545  1.00  0.00           C  
HETATM   34  C   UNL     1       9.077   0.128  -1.113  1.00  0.00           C  
HETATM   35  C   UNL     1      10.242   0.975  -0.566  1.00  0.00           C  
HETATM   36  N   UNL     1       9.879   1.501   0.759  1.00  0.00           N  
HETATM   37  C   UNL     1      10.764   1.058   1.663  1.00  0.00           C  
HETATM   38  O   UNL     1      10.704   1.340   2.844  1.00  0.00           O  
HETATM   39  N   UNL     1      11.721   0.275   1.146  1.00  0.00           N  
HETATM   40  C   UNL     1      11.500   0.138  -0.302  1.00  0.00           C  
HETATM   41  C   UNL     1      11.297  -1.350  -0.646  1.00  0.00           C  
HETATM   42  S   UNL     1       9.476  -1.557  -0.492  1.00  0.00           S  
HETATM   43  O   UNL     1       1.741  -1.725  -1.667  1.00  0.00           O  
HETATM   44 CO   UNL     1      -4.325   0.077   0.142  1.00  0.00          Co  
HETATM   45  H   UNL     1       1.343   1.202   0.852  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.343  -3.376   0.736  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.041  -4.190   1.635  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.166  -3.105   2.486  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.082  -2.884   2.461  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.999  -1.128   2.182  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.174  -1.791   3.343  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.551   1.478   0.564  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.284   0.611  -0.807  1.00  0.00           H  
HETATM   54  H   UNL     1      -9.368  -0.081   0.831  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.789   2.120   1.682  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.401  -2.152   0.090  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.270  -1.560  -1.583  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.833  -2.202  -0.752  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.734  -1.798  -1.413  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.725   2.527  -2.960  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.650   3.599  -2.031  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.271   1.866  -2.174  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.617   3.129   0.171  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.608   4.338  -0.658  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.660   3.258  -1.604  1.00  0.00           H  
HETATM   66  H   UNL     1       2.836   0.584   0.068  1.00  0.00           H  
HETATM   67  H   UNL     1       4.299  -1.670  -0.802  1.00  0.00           H  
HETATM   68  H   UNL     1       4.120  -0.553  -2.176  1.00  0.00           H  
HETATM   69  H   UNL     1       5.110   1.272  -0.821  1.00  0.00           H  
HETATM   70  H   UNL     1       5.289   0.155   0.554  1.00  0.00           H  
HETATM   71  H   UNL     1       6.768  -1.291  -0.814  1.00  0.00           H  
HETATM   72  H   UNL     1       6.590  -0.174  -2.188  1.00  0.00           H  
HETATM   73  H   UNL     1       7.580   1.652  -0.832  1.00  0.00           H  
HETATM   74  H   UNL     1       7.758   0.534   0.542  1.00  0.00           H  
HETATM   75  H   UNL     1       9.061   0.144  -2.202  1.00  0.00           H  
HETATM   76  H   UNL     1      10.469   1.791  -1.253  1.00  0.00           H  
HETATM   77  H   UNL     1       9.122   2.076   0.948  1.00  0.00           H  
HETATM   78  H   UNL     1      12.444  -0.135   1.646  1.00  0.00           H  
HETATM   79  H   UNL     1      12.347   0.545  -0.854  1.00  0.00           H  
HETATM   80  H   UNL     1      11.625  -1.560  -1.664  1.00  0.00           H  
HETATM   81  H   UNL     1      11.819  -1.987   0.068  1.00  0.00           H  
CONECT    1    8    7    7   45                                       
CONECT    2   14    8    8   20                                       
CONECT    3   23   46   47   48                                       
CONECT    4   23   49   50   51                                       
CONECT    5   10   52   53   54                                       
CONECT    6    7   43   43   29                                       
CONECT    7    1    1   24    6                                       
CONECT    8    2    2    1   55                                       
CONECT    9   23   15   12   12                                       
CONECT   10   27   11   25    5                                       
CONECT   11   10   56   57   58                                       
CONECT   12    9    9                                                 
CONECT   13   22   22                                                 
CONECT   14   22   44    2                                            
CONECT   15   44   20    9                                            
CONECT   16   21   27   44                                            
CONECT   17   44   25   23                                            
CONECT   18   25   25                                                 
CONECT   19   27   27                                                 
CONECT   20    2   15   24   24                                       
CONECT   21   28   26   16   22                                       
CONECT   22   21   13   13   14                                       
CONECT   23   17    3    4    9                                       
CONECT   24   20   20    7   59                                       
CONECT   25   10   17   18   18                                       
CONECT   26   21   60   61   62                                       
CONECT   27   19   19   16   10                                       
CONECT   28   21   63   64   65                                       
CONECT   29    6   30   66                                            
CONECT   30   29   31   67   68                                       
CONECT   31   30   32   69   70                                       
CONECT   32   31   33   71   72                                       
CONECT   33   32   34   73   74                                       
CONECT   34   33   42   35   75                                       
CONECT   35   34   40   36   76                                       
CONECT   36   35   37   77                                            
CONECT   37   36   39   38   38                                       
CONECT   38   37   37                                                 
CONECT   39   40   37   78                                            
CONECT   40   41   35   39   79                                       
CONECT   41   42   40   80   81                                       
CONECT   42   34   41                                                 
CONECT   43    6    6                                                 
CONECT   44   16   14   17   15                                       
CONECT   45    1                                                      
CONECT   46    3                                                      
CONECT   47    3                                                      
CONECT   48    3                                                      
CONECT   49    4                                                      
CONECT   50    4                                                      
CONECT   51    4                                                      
CONECT   52    5                                                      
CONECT   53    5                                                      
CONECT   54    5                                                      
CONECT   55    8                                                      
CONECT   56   11                                                      
CONECT   57   11                                                      
CONECT   58   11                                                      
CONECT   59   24                                                      
CONECT   60   26                                                      
CONECT   61   26                                                      
CONECT   62   26                                                      
CONECT   63   28                                                      
CONECT   64   28                                                      
CONECT   65   28                                                      
CONECT   66   29                                                      
CONECT   67   30                                                      
CONECT   68   30                                                      
CONECT   69   31                                                      
CONECT   70   31                                                      
CONECT   71   32                                                      
CONECT   72   32                                                      
CONECT   73   33                                                      
CONECT   74   33                                                      
CONECT   75   34                                                      
CONECT   76   35                                                      
CONECT   77   36                                                      
CONECT   78   39                                                      
CONECT   79   40                                                      
CONECT   80   41                                                      
CONECT   81   41                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
