COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1      -6.191   0.766   0.754  1.00  0.00          Cl  
HETATM    2  C   UNL     1      -4.478   0.490   0.680  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.622   1.542   0.403  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.260   1.329   0.343  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.974  -0.780   0.903  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.614  -1.004   0.846  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.747   0.050   0.562  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.286  -0.185   0.499  1.00  0.00           C  
HETATM    9  C   UNL     1       0.486   0.641  -0.450  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.008   1.032  -1.759  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.348   0.599  -2.294  1.00  0.00           C  
HETATM   12  C   UNL     1       0.825   1.802  -2.438  1.00  0.00           C  
HETATM   13  C   UNL     1       0.555   2.350  -3.816  1.00  0.00           C  
HETATM   14  S   UNL     1       2.286   2.099  -1.516  1.00  0.00           S  
HETATM   15  C   UNL     1       1.749   1.142  -0.210  1.00  0.00           C  
HETATM   16  N   UNL     1       2.495   0.866   0.939  1.00  0.00           N  
HETATM   17  C   UNL     1       3.370   1.663   1.598  1.00  0.00           C  
HETATM   18  C   UNL     1       3.741   3.079   1.242  1.00  0.00           C  
HETATM   19  N   UNL     1       3.831   0.964   2.604  1.00  0.00           N  
HETATM   20  N   UNL     1       3.294  -0.207   2.609  1.00  0.00           N  
HETATM   21  C   UNL     1       2.464  -0.313   1.612  1.00  0.00           C  
HETATM   22  N   UNL     1       0.198  -1.093   1.285  1.00  0.00           N  
HETATM   23  C   UNL     1       1.605  -1.496   1.247  1.00  0.00           C  
HETATM   24  C   UNL     1       1.960  -1.984  -0.160  1.00  0.00           C  
HETATM   25  C   UNL     1       1.179  -3.235  -0.469  1.00  0.00           C  
HETATM   26  O   UNL     1       0.417  -3.690   0.351  1.00  0.00           O  
HETATM   27  O   UNL     1       1.329  -3.844  -1.656  1.00  0.00           O  
HETATM   28  C   UNL     1       0.545  -5.044  -1.885  1.00  0.00           C  
HETATM   29  H   UNL     1      -4.020   2.532   0.233  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.592   2.149   0.126  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.647  -1.596   1.123  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.222  -1.995   1.022  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.088   1.373  -2.090  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.276   0.440  -3.370  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.650  -0.329  -1.809  1.00  0.00           H  
HETATM   36  H   UNL     1       0.058   3.317  -3.731  1.00  0.00           H  
HETATM   37  H   UNL     1       1.497   2.472  -4.350  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.086   1.659  -4.363  1.00  0.00           H  
HETATM   39  H   UNL     1       3.066   3.770   1.748  1.00  0.00           H  
HETATM   40  H   UNL     1       4.766   3.276   1.556  1.00  0.00           H  
HETATM   41  H   UNL     1       3.658   3.216   0.163  1.00  0.00           H  
HETATM   42  H   UNL     1       1.774  -2.299   1.965  1.00  0.00           H  
HETATM   43  H   UNL     1       1.710  -1.211  -0.886  1.00  0.00           H  
HETATM   44  H   UNL     1       3.027  -2.200  -0.211  1.00  0.00           H  
HETATM   45  H   UNL     1       0.761  -5.435  -2.879  1.00  0.00           H  
HETATM   46  H   UNL     1       0.801  -5.794  -1.136  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.516  -4.805  -1.811  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    5    5    3                                       
CONECT    3    2    4    4   29                                       
CONECT    4    3    3    7   30                                       
CONECT    5    2    2    6   31                                       
CONECT    6    5    7    7   32                                       
CONECT    7    6    6    4    8                                       
CONECT    8    7   22   22    9                                       
CONECT    9    8   10   15   15                                       
CONECT   10   11    9   12   12                                       
CONECT   11   10   33   34   35                                       
CONECT   12   10   10   13   14                                       
CONECT   13   12   36   37   38                                       
CONECT   14   15   12                                                 
CONECT   15    9    9   16   14                                       
CONECT   16   21   15   17                                            
CONECT   17   16   19   19   18                                       
CONECT   18   17   39   40   41                                       
CONECT   19   20   17   17                                            
CONECT   20   21   21   19                                            
CONECT   21   23   20   20   16                                       
CONECT   22    8    8   23                                            
CONECT   23   22   24   21   42                                       
CONECT   24   25   23   43   44                                       
CONECT   25   27   26   26   24                                       
CONECT   26   25   25                                                 
CONECT   27   28   25                                                 
CONECT   28   27   45   46   47                                       
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33   11                                                      
CONECT   34   11                                                      
CONECT   35   11                                                      
CONECT   36   13                                                      
CONECT   37   13                                                      
CONECT   38   13                                                      
CONECT   39   18                                                      
CONECT   40   18                                                      
CONECT   41   18                                                      
CONECT   42   23                                                      
CONECT   43   24                                                      
CONECT   44   24                                                      
CONECT   45   28                                                      
CONECT   46   28                                                      
CONECT   47   28                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
