COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.715   0.427  -3.595  1.00  0.00           C  
HETATM    2  C   UNL     1       1.398   0.332  -2.254  1.00  0.00           C  
HETATM    3  O   UNL     1       0.413   0.283  -1.220  1.00  0.00           O  
HETATM    4  N   UNL     1       1.113   0.195   0.007  1.00  0.00           N  
HETATM    5  C   UNL     1       0.455   0.135   1.127  1.00  0.00           C  
HETATM    6  C   UNL     1       0.389  -0.724  -4.286  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.241  -0.638  -5.514  1.00  0.00           C  
HETATM    8 CL   UNL     1      -0.657  -2.084  -6.380  1.00  0.00          Cl  
HETATM    9  C   UNL     1      -0.537   0.601  -6.054  1.00  0.00           C  
HETATM   10 CL   UNL     1      -1.323   0.711  -7.598  1.00  0.00          Cl  
HETATM   11  C   UNL     1      -0.205   1.753  -5.363  1.00  0.00           C  
HETATM   12  C   UNL     1       0.421   1.665  -4.134  1.00  0.00           C  
HETATM   13  N   UNL     1       2.548   0.015   2.524  1.00  0.00           N  
HETATM   14  C   UNL     1       2.739  -0.080   3.876  1.00  0.00           C  
HETATM   15  N   UNL     1       1.598  -0.100   4.510  1.00  0.00           N  
HETATM   16  C   UNL     1       0.595  -0.021   3.624  1.00  0.00           C  
HETATM   17  C   UNL     1       1.156   0.047   2.357  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.851  -0.014   3.941  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.716   0.827   3.243  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.064   0.826   3.539  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.556  -0.001   4.534  1.00  0.00           C  
HETATM   22 CL   UNL     1      -5.252   0.006   4.906  1.00  0.00          Cl  
HETATM   23  C   UNL     1      -2.701  -0.839   5.230  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.353  -0.849   4.939  1.00  0.00           C  
HETATM   25  C   UNL     1       3.673   0.047   1.734  1.00  0.00           C  
HETATM   26  S   UNL     1       4.512  -0.124   4.017  1.00  0.00           S  
HETATM   27  C   UNL     1       4.890  -0.013   2.275  1.00  0.00           C  
HETATM   28  H   UNL     1       2.034   1.205  -2.109  1.00  0.00           H  
HETATM   29  H   UNL     1       2.007  -0.570  -2.220  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.624   0.152   1.121  1.00  0.00           H  
HETATM   31  H   UNL     1       0.620  -1.691  -3.864  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.435   2.721  -5.784  1.00  0.00           H  
HETATM   33  H   UNL     1       0.680   2.564  -3.595  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.333   1.476   2.469  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.735   1.477   2.999  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.091  -1.485   6.003  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.687  -1.503   5.483  1.00  0.00           H  
HETATM   38  H   UNL     1       3.570   0.122   0.661  1.00  0.00           H  
HETATM   39  H   UNL     1       5.853   0.001   1.788  1.00  0.00           H  
CONECT    1    2    6   12   12                                       
CONECT    2    1    3   28   29                                       
CONECT    3    2    4                                                 
CONECT    4    3    5    5                                            
CONECT    5    4    4   17   30                                       
CONECT    6    1    7    7   31                                       
CONECT    7    6    6    8    9                                       
CONECT    8    7                                                      
CONECT    9    7   10   11   11                                       
CONECT   10    9                                                      
CONECT   11    9    9   12   32                                       
CONECT   12    1    1   11   33                                       
CONECT   13   14   17   25                                            
CONECT   14   13   15   15   26                                       
CONECT   15   14   14   16                                            
CONECT   16   15   17   17   18                                       
CONECT   17    5   13   16   16                                       
CONECT   18   16   19   24   24                                       
CONECT   19   18   20   20   34                                       
CONECT   20   19   19   21   35                                       
CONECT   21   20   22   23   23                                       
CONECT   22   21                                                      
CONECT   23   21   21   24   36                                       
CONECT   24   18   18   23   37                                       
CONECT   25   13   27   27   38                                       
CONECT   26   14   27                                                 
CONECT   27   25   25   26   39                                       
CONECT   28    2                                                      
CONECT   29    2                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32   11                                                      
CONECT   33   12                                                      
CONECT   34   19                                                      
CONECT   35   20                                                      
CONECT   36   23                                                      
CONECT   37   24                                                      
CONECT   38   25                                                      
CONECT   39   27                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
