COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.945  -2.382  -1.494  1.00  0.00           C  
HETATM    2  S   UNL     1       4.218  -1.106  -0.436  1.00  0.00           S  
HETATM    3  C   UNL     1       5.503  -1.402   0.804  1.00  0.00           C  
HETATM    4  C   UNL     1       3.490   0.169   0.622  1.00  0.00           C  
HETATM    5  C   UNL     1       2.261   0.764  -0.068  1.00  0.00           C  
HETATM    6  O   UNL     1       1.190  -0.204  -0.111  1.00  0.00           O  
HETATM    7  C   UNL     1      -0.015   0.569  -0.301  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.187  -0.202   0.119  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.478  -0.015  -0.308  1.00  0.00           C  
HETATM   10  N   UNL     1      -3.075   0.822  -1.150  1.00  0.00           N  
HETATM   11  C   UNL     1      -4.373   0.752  -1.358  1.00  0.00           C  
HETATM   12  N   UNL     1      -5.141  -0.137  -0.753  1.00  0.00           N  
HETATM   13  C   UNL     1      -4.632  -1.015   0.105  1.00  0.00           C  
HETATM   14  N   UNL     1      -5.444  -1.942   0.734  1.00  0.00           N  
HETATM   15  C   UNL     1      -3.251  -0.979   0.360  1.00  0.00           C  
HETATM   16  N   UNL     1      -2.408  -1.692   1.146  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.196  -1.241   1.001  1.00  0.00           C  
HETATM   18  C   UNL     1       0.165   1.809   0.602  1.00  0.00           C  
HETATM   19  O   UNL     1      -0.375   2.972  -0.030  1.00  0.00           O  
HETATM   20  C   UNL     1       1.697   1.941   0.759  1.00  0.00           C  
HETATM   21  O   UNL     1       2.149   3.188   0.229  1.00  0.00           O  
HETATM   22  H   UNL     1       4.941  -3.336  -0.968  1.00  0.00           H  
HETATM   23  H   UNL     1       4.361  -2.470  -2.411  1.00  0.00           H  
HETATM   24  H   UNL     1       5.971  -2.108  -1.741  1.00  0.00           H  
HETATM   25  H   UNL     1       5.039  -1.714   1.740  1.00  0.00           H  
HETATM   26  H   UNL     1       6.174  -2.186   0.452  1.00  0.00           H  
HETATM   27  H   UNL     1       6.069  -0.485   0.966  1.00  0.00           H  
HETATM   28  H   UNL     1       3.194  -0.273   1.573  1.00  0.00           H  
HETATM   29  H   UNL     1       4.223   0.956   0.799  1.00  0.00           H  
HETATM   30  H   UNL     1       2.515   1.096  -1.075  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.111   0.870  -1.344  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.828   1.447  -2.048  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.397  -1.957   0.550  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.061  -2.578   1.359  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.326  -1.628   1.510  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.306   1.647   1.572  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.289   3.780   0.494  1.00  0.00           H  
HETATM   38  H   UNL     1       1.983   1.843   1.806  1.00  0.00           H  
HETATM   39  H   UNL     1       1.825   3.961   0.711  1.00  0.00           H  
HETATM   40  H   UNL     1       4.423  -0.148  -1.450  1.00  0.00           H  
CONECT    1    2   22   23   24                                       
CONECT    2    1    3    4   40                                       
CONECT    3    2   25   26   27                                       
CONECT    4    2    5   28   29                                       
CONECT    5    4    6   20   30                                       
CONECT    6    5    7                                                 
CONECT    7    6    8   18   31                                       
CONECT    8    7   17    9                                            
CONECT    9    8   15   10   10                                       
CONECT   10    9    9   11                                            
CONECT   11   10   12   12   32                                       
CONECT   12   11   11   13                                            
CONECT   13   12   15   15   14                                       
CONECT   14   13   33   34                                            
CONECT   15    9   13   13   16                                       
CONECT   16   15   17   17                                            
CONECT   17    8   16   16   35                                       
CONECT   18    7   19   20   36                                       
CONECT   19   18   37                                                 
CONECT   20    5   18   21   38                                       
CONECT   21   20   39                                                 
CONECT   22    1                                                      
CONECT   23    1                                                      
CONECT   24    1                                                      
CONECT   25    3                                                      
CONECT   26    3                                                      
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    7                                                      
CONECT   32   11                                                      
CONECT   33   14                                                      
CONECT   34   14                                                      
CONECT   35   17                                                      
CONECT   36   18                                                      
CONECT   37   19                                                      
CONECT   38   20                                                      
CONECT   39   21                                                      
CONECT   40    2                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
