COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.440  -2.890   0.561  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.791  -1.696   0.217  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.753  -2.956  -0.243  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.427  -1.723  -0.179  1.00  0.00           C  
HETATM    5  O   UNL     1      -9.439   3.779   1.076  1.00  0.00           O  
HETATM    6  C   UNL     1      -5.763  -4.071   0.498  1.00  0.00           C  
HETATM    7  O   UNL     1      -8.477   5.533  -0.008  1.00  0.00           O  
HETATM    8  C   UNL     1      -4.427  -4.114   0.097  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.789  -0.513  -0.487  1.00  0.00           C  
HETATM   10  N   UNL     1      -4.441   0.629  -0.428  1.00  0.00           N1+
HETATM   11  C   UNL     1      -5.736   0.683  -0.099  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.446  -0.455   0.244  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.697   1.860  -0.718  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.555   2.850  -1.498  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.866   3.063  -0.783  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.444   1.990  -0.108  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.469   4.310  -0.810  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.681   4.448  -0.144  1.00  0.00           C  
HETATM   19  C   UNL     1      -8.274   3.366   0.528  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.667   2.120   0.559  1.00  0.00           C  
HETATM   21  C   UNL     1      -9.758   5.021   0.415  1.00  0.00           C  
HETATM   22  O   UNL     1      -2.453  -3.009  -0.636  1.00  0.00           O  
HETATM   23  O   UNL     1      -3.781  -5.309   0.040  1.00  0.00           O  
HETATM   24  C   UNL     1      -4.530  -6.470   0.402  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.462  -2.895   0.387  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.069  -2.976  -0.242  1.00  0.00           C  
HETATM   27  C   UNL     1       0.993  -2.853   0.853  1.00  0.00           C  
HETATM   28  N   UNL     1       2.326  -2.930   0.251  1.00  0.00           N  
HETATM   29  N   UNL     1       2.758  -3.878  -0.505  1.00  0.00           N  
HETATM   30  N   UNL     1       3.968  -3.638  -0.869  1.00  0.00           N  
HETATM   31  C   UNL     1       4.360  -2.478  -0.332  1.00  0.00           C  
HETATM   32  C   UNL     1       3.313  -2.015   0.390  1.00  0.00           C  
HETATM   33  C   UNL     1       5.704  -1.816  -0.497  1.00  0.00           C  
HETATM   34  O   UNL     1       5.725  -0.590   0.237  1.00  0.00           O  
HETATM   35  C   UNL     1       6.872   0.136   0.193  1.00  0.00           C  
HETATM   36  C   UNL     1       6.962   1.337   0.883  1.00  0.00           C  
HETATM   37  C   UNL     1       8.130   2.073   0.837  1.00  0.00           C  
HETATM   38  C   UNL     1       9.209   1.615   0.104  1.00  0.00           C  
HETATM   39  C   UNL     1       9.122   0.419  -0.585  1.00  0.00           C  
HETATM   40  C   UNL     1       7.959  -0.324  -0.537  1.00  0.00           C  
HETATM   41  S   UNL     1      10.697   2.556   0.047  1.00  0.00           S  
HETATM   42  O   UNL     1      11.369   2.174  -1.145  1.00  0.00           O  
HETATM   43  O   UNL     1      10.334   3.899   0.338  1.00  0.00           O  
HETATM   44  N   UNL     1      11.648   2.047   1.304  1.00  0.00           N  
HETATM   45  H   UNL     1      -7.472  -2.874   0.878  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.268  -4.988   0.763  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.749  -0.518  -0.777  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.486  -0.389   0.527  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.385   2.318   0.220  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.813   1.613  -1.306  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.028   3.801  -1.579  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.747   2.456  -2.496  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.015   5.142  -1.329  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.118   1.286   1.076  1.00  0.00           H  
HETATM   55  H   UNL     1     -10.400   4.841  -0.447  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.875  -6.373   1.432  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.390  -6.570  -0.261  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.898  -7.354   0.313  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.575  -1.938   0.897  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.584  -3.706   1.104  1.00  0.00           H  
HETATM   61  H   UNL     1       0.044  -3.932  -0.752  1.00  0.00           H  
HETATM   62  H   UNL     1       0.053  -2.164  -0.959  1.00  0.00           H  
HETATM   63  H   UNL     1       0.879  -1.897   1.364  1.00  0.00           H  
HETATM   64  H   UNL     1       0.870  -3.664   1.570  1.00  0.00           H  
HETATM   65  H   UNL     1       3.271  -1.098   0.958  1.00  0.00           H  
HETATM   66  H   UNL     1       6.484  -2.478  -0.121  1.00  0.00           H  
HETATM   67  H   UNL     1       5.880  -1.610  -1.553  1.00  0.00           H  
HETATM   68  H   UNL     1       6.119   1.695   1.456  1.00  0.00           H  
HETATM   69  H   UNL     1       8.200   3.008   1.374  1.00  0.00           H  
HETATM   70  H   UNL     1       9.968   0.061  -1.153  1.00  0.00           H  
HETATM   71  H   UNL     1       7.891  -1.258  -1.075  1.00  0.00           H  
HETATM   72  H   UNL     1      11.333   1.348   1.898  1.00  0.00           H  
HETATM   73  H   UNL     1      12.520   2.448   1.446  1.00  0.00           H  
HETATM   74  H   UNL     1     -10.235   5.712   1.110  1.00  0.00           H  
CONECT    1    6    6    2   45                                       
CONECT    2    1   12    4    4                                       
CONECT    3   22    8    8    4                                       
CONECT    4    2    2    3    9                                       
CONECT    5   21   19                                                 
CONECT    6    1    1    8   46                                       
CONECT    7   21   18                                                 
CONECT    8    6    3    3   23                                       
CONECT    9    4   10   10   47                                       
CONECT   10    9    9   13   11                                       
CONECT   11   12   12   16   10                                       
CONECT   12    2   11   11   48                                       
CONECT   13   10   14   49   50                                       
CONECT   14   13   15   51   52                                       
CONECT   15   16   16   17   14                                       
CONECT   16   20   11   15   15                                       
CONECT   17   18   18   15   53                                       
CONECT   18   19    7   17   17                                       
CONECT   19    5   20   20   18                                       
CONECT   20   19   19   16   54                                       
CONECT   21    5    7   55   74                                       
CONECT   22    3   25                                                 
CONECT   23   24    8                                                 
CONECT   24   23   56   57   58                                       
CONECT   25   22   26   59   60                                       
CONECT   26   25   27   61   62                                       
CONECT   27   28   26   63   64                                       
CONECT   28   29   32   27                                            
CONECT   29   30   30   28                                            
CONECT   30   29   29   31                                            
CONECT   31   30   33   32   32                                       
CONECT   32   31   31   28   65                                       
CONECT   33   34   31   66   67                                       
CONECT   34   35   33                                                 
CONECT   35   34   40   36   36                                       
CONECT   36   35   35   37   68                                       
CONECT   37   38   38   36   69                                       
CONECT   38   41   39   37   37                                       
CONECT   39   40   40   38   70                                       
CONECT   40   39   39   35   71                                       
CONECT   41   43   43   42   42                                       
CONECT   41   38   44                                                 
CONECT   42   41   41                                                 
CONECT   43   41   41                                                 
CONECT   44   41   72   73                                            
CONECT   45    1                                                      
CONECT   46    6                                                      
CONECT   47    9                                                      
CONECT   48   12                                                      
CONECT   49   13                                                      
CONECT   50   13                                                      
CONECT   51   14                                                      
CONECT   52   14                                                      
CONECT   53   17                                                      
CONECT   54   20                                                      
CONECT   55   21                                                      
CONECT   56   24                                                      
CONECT   57   24                                                      
CONECT   58   24                                                      
CONECT   59   25                                                      
CONECT   60   25                                                      
CONECT   61   26                                                      
CONECT   62   26                                                      
CONECT   63   27                                                      
CONECT   64   27                                                      
CONECT   65   32                                                      
CONECT   66   33                                                      
CONECT   67   33                                                      
CONECT   68   36                                                      
CONECT   69   37                                                      
CONECT   70   39                                                      
CONECT   71   40                                                      
CONECT   72   44                                                      
CONECT   73   44                                                      
CONECT   74   21                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
