COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.656   2.076  -0.488  1.00  0.00           C  
HETATM    2  C   UNL     1       6.672   2.822  -1.110  1.00  0.00           C  
HETATM    3  C   UNL     1       5.381   2.333  -1.200  1.00  0.00           C  
HETATM    4  C   UNL     1       5.071   1.097  -0.668  1.00  0.00           C  
HETATM    5  C   UNL     1       6.057   0.345  -0.041  1.00  0.00           C  
HETATM    6  C   UNL     1       7.354   0.837   0.042  1.00  0.00           C  
HETATM    7  S   UNL     1       5.666  -1.232   0.641  1.00  0.00           S  
HETATM    8  C   UNL     1       3.921  -1.338   0.418  1.00  0.00           C  
HETATM    9  C   UNL     1       3.401  -1.985  -0.696  1.00  0.00           C  
HETATM   10  C   UNL     1       2.034  -2.068  -0.871  1.00  0.00           C  
HETATM   11  C   UNL     1       1.179  -1.505   0.068  1.00  0.00           C  
HETATM   12  C   UNL     1       1.699  -0.858   1.181  1.00  0.00           C  
HETATM   13  C   UNL     1       3.065  -0.780   1.359  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.208  -1.588  -0.110  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.000  -0.570   0.280  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.522   0.383   0.859  1.00  0.00           O  
HETATM   17  C   UNL     1      -2.479  -0.614  -0.005  1.00  0.00           C  
HETATM   18  S   UNL     1      -3.262   0.887   0.637  1.00  0.00           S  
HETATM   19  C   UNL     1      -4.936   0.578   0.180  1.00  0.00           C  
HETATM   20  N   UNL     1      -5.865   1.474   0.482  1.00  0.00           N  
HETATM   21  C   UNL     1      -7.130   1.273   0.153  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.479   0.109  -0.514  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.482  -0.807  -0.814  1.00  0.00           C  
HETATM   24  N   UNL     1      -5.235  -0.543  -0.462  1.00  0.00           N  
HETATM   25  C   UNL     1      -6.815  -2.086  -1.538  1.00  0.00           C  
HETATM   26  C   UNL     1      -8.180   2.297   0.500  1.00  0.00           C  
HETATM   27  H   UNL     1       8.662   2.462  -0.419  1.00  0.00           H  
HETATM   28  H   UNL     1       6.911   3.789  -1.528  1.00  0.00           H  
HETATM   29  H   UNL     1       4.615   2.918  -1.688  1.00  0.00           H  
HETATM   30  H   UNL     1       4.063   0.716  -0.737  1.00  0.00           H  
HETATM   31  H   UNL     1       8.123   0.256   0.528  1.00  0.00           H  
HETATM   32  H   UNL     1       4.066  -2.423  -1.426  1.00  0.00           H  
HETATM   33  H   UNL     1       1.630  -2.571  -1.737  1.00  0.00           H  
HETATM   34  H   UNL     1       1.033  -0.420   1.911  1.00  0.00           H  
HETATM   35  H   UNL     1       3.469  -0.281   2.228  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.599  -2.379  -0.513  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.641  -0.676  -1.081  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.917  -1.487   0.479  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.505  -0.080  -0.794  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.736  -1.926  -2.613  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.118  -2.867  -1.235  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.832  -2.390  -1.290  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.274   3.012  -0.317  1.00  0.00           H  
HETATM   44  H   UNL     1      -9.136   1.798   0.657  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.890   2.821   1.411  1.00  0.00           H  
CONECT    1    2    2    6   27                                       
CONECT    2    3    1    1   28                                       
CONECT    3    4    4    2   29                                       
CONECT    4    3    3    5   30                                       
CONECT    5    4    7    6    6                                       
CONECT    6    5    5    1   31                                       
CONECT    7    5    8                                                 
CONECT    8    7    9    9   13                                       
CONECT    9    8    8   10   32                                       
CONECT   10    9   11   11   33                                       
CONECT   11   10   10   12   14                                       
CONECT   12   13   13   11   34                                       
CONECT   13    8   12   12   35                                       
CONECT   14   11   15   36                                            
CONECT   15   14   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   18   37   38                                       
CONECT   18   19   17                                                 
CONECT   19   24   24   20   18                                       
CONECT   20   21   21   19                                            
CONECT   21   22   26   20   20                                       
CONECT   22   23   23   21   39                                       
CONECT   23   25   22   22   24                                       
CONECT   24   23   19   19                                            
CONECT   25   23   40   41   42                                       
CONECT   26   21   43   44   45                                       
CONECT   27    1                                                      
CONECT   28    2                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    6                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   12                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   17                                                      
CONECT   38   17                                                      
CONECT   39   22                                                      
CONECT   40   25                                                      
CONECT   41   25                                                      
CONECT   42   25                                                      
CONECT   43   26                                                      
CONECT   44   26                                                      
CONECT   45   26                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
