COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.836   0.811  -0.138  1.00  0.00           C  
HETATM    2  N   UNL     1       0.786  -0.435  -0.907  1.00  0.00           N  
HETATM    3  C   UNL     1       2.096   1.592  -0.513  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.382   1.642  -0.448  1.00  0.00           C  
HETATM    5  O   UNL     1      -1.061   1.381  -1.411  1.00  0.00           O  
HETATM    6  C   UNL     1       3.315   0.813  -0.091  1.00  0.00           C  
HETATM    7  C   UNL     1       3.895  -0.090  -0.962  1.00  0.00           C  
HETATM    8  C   UNL     1       3.857   1.005   1.166  1.00  0.00           C  
HETATM    9  C   UNL     1       5.013  -0.805  -0.575  1.00  0.00           C  
HETATM   10  C   UNL     1       4.975   0.291   1.554  1.00  0.00           C  
HETATM   11  C   UNL     1       5.551  -0.616   0.684  1.00  0.00           C  
HETATM   12  S   UNL     1       0.162  -1.807  -0.222  1.00  0.00           S  
HETATM   13  O   UNL     1       0.222  -2.817  -1.220  1.00  0.00           O  
HETATM   14  O   UNL     1       0.778  -1.936   1.052  1.00  0.00           O  
HETATM   15  C   UNL     1      -4.231  -1.038   0.555  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.827  -1.578  -0.651  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.485  -1.812  -0.889  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.548  -1.508   0.080  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.952  -0.969   1.288  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.294  -0.734   1.525  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.693  -0.777   0.812  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.751   2.799   0.444  1.00  0.00           C  
HETATM   23 CL   UNL     1      -2.244   3.590  -0.185  1.00  0.00          Cl  
HETATM   24  H   UNL     1       0.856   0.579   0.927  1.00  0.00           H  
HETATM   25  H   UNL     1       1.118  -0.456  -1.818  1.00  0.00           H  
HETATM   26  H   UNL     1       2.120   1.747  -1.592  1.00  0.00           H  
HETATM   27  H   UNL     1       2.089   2.558  -0.008  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.932   2.435   1.456  1.00  0.00           H  
HETATM   29  H   UNL     1       0.064   3.522   0.458  1.00  0.00           H  
HETATM   30  H   UNL     1       3.474  -0.237  -1.946  1.00  0.00           H  
HETATM   31  H   UNL     1       3.407   1.714   1.845  1.00  0.00           H  
HETATM   32  H   UNL     1       5.465  -1.511  -1.255  1.00  0.00           H  
HETATM   33  H   UNL     1       5.398   0.441   2.536  1.00  0.00           H  
HETATM   34  H   UNL     1       6.425  -1.175   0.987  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.559  -1.816  -1.408  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.609  -0.312   2.468  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.146  -1.660   1.263  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.797   0.071   1.489  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.193  -0.553  -0.130  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.170  -2.234  -1.832  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.220  -0.731   2.045  1.00  0.00           H  
CONECT    1    2    3    4   24                                       
CONECT    2    1   12   25                                            
CONECT    3    1    6   26   27                                       
CONECT    4    1    5    5   22                                       
CONECT    5    4    4                                                 
CONECT    6    3    7    8    8                                       
CONECT    7    6    9    9   30                                       
CONECT    8    6    6   10   31                                       
CONECT    9    7    7   11   32                                       
CONECT   10    8   11   11   33                                       
CONECT   11    9   10   10   34                                       
CONECT   12    2   13   13   14                                       
CONECT   12   14   18                                                 
CONECT   13   12   12                                                 
CONECT   14   12   12                                                 
CONECT   15   16   20   20   21                                       
CONECT   16   15   17   17   35                                       
CONECT   17   16   16   18   40                                       
CONECT   18   12   17   19   19                                       
CONECT   19   18   18   20   41                                       
CONECT   20   15   15   19   36                                       
CONECT   21   15   37   38   39                                       
CONECT   22    4   23   28   29                                       
CONECT   23   22                                                      
CONECT   24    1                                                      
CONECT   25    2                                                      
CONECT   26    3                                                      
CONECT   27    3                                                      
CONECT   28   22                                                      
CONECT   29   22                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   16                                                      
CONECT   36   20                                                      
CONECT   37   21                                                      
CONECT   38   21                                                      
CONECT   39   21                                                      
CONECT   40   17                                                      
CONECT   41   19                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
