COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       4.622  -1.376   0.963  1.00  0.00           N  
HETATM    2  C   UNL     1       5.426  -0.178   1.214  1.00  0.00           C  
HETATM    3  O   UNL     1       3.692  -2.991  -0.655  1.00  0.00           O  
HETATM    4 CL   UNL     1      -6.324  -2.732   0.093  1.00  0.00          Cl  
HETATM    5  C   UNL     1      -4.919  -1.714   0.051  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.757  -0.721   1.002  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.642   0.091   0.973  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.961  -1.901  -0.932  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.840  -1.097  -0.967  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.677  -0.089  -0.018  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.475   0.777  -0.051  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.214   0.213  -0.133  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.610   2.180  -0.005  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.465   2.997  -0.037  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.902   4.305   0.020  1.00  0.00           N  
HETATM   16  C   UNL     1      -2.267   4.312   0.085  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.727   3.049   0.072  1.00  0.00           C  
HETATM   18  C   UNL     1       0.793   2.418  -0.114  1.00  0.00           C  
HETATM   19  C   UNL     1       2.022   3.290  -0.148  1.00  0.00           C  
HETATM   20  C   UNL     1       0.921   1.032  -0.164  1.00  0.00           C  
HETATM   21  C   UNL     1       2.263   0.422  -0.245  1.00  0.00           C  
HETATM   22  O   UNL     1       3.255   1.120  -0.157  1.00  0.00           O  
HETATM   23  N   UNL     1       2.389  -0.909  -0.418  1.00  0.00           N  
HETATM   24  S   UNL     1       3.895  -1.593  -0.509  1.00  0.00           S  
HETATM   25  O   UNL     1       4.634  -0.813  -1.440  1.00  0.00           O  
HETATM   26  C   UNL     1       4.465  -2.386   2.013  1.00  0.00           C  
HETATM   27  H   UNL     1       6.461  -0.369   0.931  1.00  0.00           H  
HETATM   28  H   UNL     1       5.036   0.652   0.624  1.00  0.00           H  
HETATM   29  H   UNL     1       5.380   0.075   2.273  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.505  -0.583   1.769  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.517   0.865   1.715  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.092  -2.676  -1.672  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.095  -1.241  -1.736  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.105  -0.861  -0.172  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.333   5.090   0.014  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.882   5.198   0.140  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.764   2.750   0.114  1.00  0.00           H  
HETATM   38  H   UNL     1       2.436   3.374   0.857  1.00  0.00           H  
HETATM   39  H   UNL     1       2.764   2.846  -0.811  1.00  0.00           H  
HETATM   40  H   UNL     1       1.754   4.281  -0.514  1.00  0.00           H  
HETATM   41  H   UNL     1       1.599  -1.466  -0.489  1.00  0.00           H  
HETATM   42  H   UNL     1       3.842  -3.201   1.643  1.00  0.00           H  
HETATM   43  H   UNL     1       5.444  -2.776   2.292  1.00  0.00           H  
HETATM   44  H   UNL     1       3.992  -1.934   2.885  1.00  0.00           H  
CONECT    1    2   26   24                                            
CONECT    2    1   27   28   29                                       
CONECT    3   24   24                                                 
CONECT    4    5                                                      
CONECT    5    8    8    6    4                                       
CONECT    6    7    7    5   30                                       
CONECT    7   10    6    6   31                                       
CONECT    8    9    5    5   32                                       
CONECT    9   10   10    8   33                                       
CONECT   10   11    9    9    7                                       
CONECT   11   13   10   12   12                                       
CONECT   12   11   11   20   34                                       
CONECT   13   17   14   14   11                                       
CONECT   14   15   13   13   18                                       
CONECT   15   16   14   35                                            
CONECT   16   15   17   17   36                                       
CONECT   17   16   16   13   37                                       
CONECT   18   14   19   20   20                                       
CONECT   19   18   38   39   40                                       
CONECT   20   18   18   12   21                                       
CONECT   21   20   23   22   22                                       
CONECT   22   21   21                                                 
CONECT   23   21   24   41                                            
CONECT   24    1   23    3    3                                       
CONECT   24   25   25                                                 
CONECT   25   24   24                                                 
CONECT   26    1   42   43   44                                       
CONECT   27    2                                                      
CONECT   28    2                                                      
CONECT   29    2                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34   12                                                      
CONECT   35   15                                                      
CONECT   36   16                                                      
CONECT   37   17                                                      
CONECT   38   19                                                      
CONECT   39   19                                                      
CONECT   40   19                                                      
CONECT   41   23                                                      
CONECT   42   26                                                      
CONECT   43   26                                                      
CONECT   44   26                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
