COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       1.663  -1.384  -0.199  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.131  -0.874   0.439  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.750  -2.103   0.061  1.00  0.00           C  
HETATM    4  C   UNL     1       0.569  -3.262  -0.555  1.00  0.00           C  
HETATM    5  C   UNL     1       3.976  -0.920   0.327  1.00  0.00           C  
HETATM    6  C   UNL     1       4.840   1.300   0.084  1.00  0.00           C  
HETATM    7  C   UNL     1       5.027  -0.030   0.418  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.261   1.229   0.863  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.045   1.716  -0.252  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.795   2.273  -1.467  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.123   2.879  -1.008  1.00  0.00           C  
HETATM   12  C   UNL     1       0.346  -1.100   0.052  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.376  -2.263  -0.163  1.00  0.00           C  
HETATM   14  N   UNL     1       1.754  -2.728  -0.570  1.00  0.00           N  
HETATM   15  S   UNL     1      -0.740   0.194   0.540  1.00  0.00           S  
HETATM   16  C   UNL     1      -3.512  -0.478   0.728  1.00  0.00           C  
HETATM   17  N   UNL     1      -3.924   0.776   0.456  1.00  0.00           N  
HETATM   18  C   UNL     1       2.731  -0.482  -0.105  1.00  0.00           C  
HETATM   19  O   UNL     1      -4.287  -1.282   1.212  1.00  0.00           O  
HETATM   20  C   UNL     1       2.547   0.852  -0.445  1.00  0.00           C  
HETATM   21  C   UNL     1       3.602   1.739  -0.352  1.00  0.00           C  
HETATM   22 CL   UNL     1       6.163   2.417   0.200  1.00  0.00          Cl  
HETATM   23  C   UNL     1       0.245  -4.694  -0.895  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.986   1.792  -0.364  1.00  0.00           C  
HETATM   25  H   UNL     1      -2.453  -2.914  -0.061  1.00  0.00           H  
HETATM   26  H   UNL     1       4.122  -1.958   0.588  1.00  0.00           H  
HETATM   27  H   UNL     1       5.996  -0.371   0.751  1.00  0.00           H  
HETATM   28  H   UNL     1      -5.825   0.388   1.267  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.171   2.007   1.622  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.146   1.196  -0.584  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.769   2.534   0.413  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.190   3.043  -1.946  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.988   1.468  -2.175  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.930   3.668  -0.280  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.647   3.298  -1.866  1.00  0.00           H  
HETATM   36  H   UNL     1       1.580   1.196  -0.781  1.00  0.00           H  
HETATM   37  H   UNL     1       3.458   2.777  -0.612  1.00  0.00           H  
HETATM   38  H   UNL     1       0.037  -4.776  -1.961  1.00  0.00           H  
HETATM   39  H   UNL     1       1.094  -5.328  -0.640  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.629  -5.013  -0.328  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.159   0.991  -1.083  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.941   2.219  -0.058  1.00  0.00           H  
CONECT    1   12   14   18                                            
CONECT    2   15   16    3    3                                       
CONECT    3   13    2    2   25                                       
CONECT    4   13   14   14   23                                       
CONECT    5   18   18    7   26                                       
CONECT    6   21   22    7    7                                       
CONECT    7    5    6    6   27                                       
CONECT    8   17   24   28   29                                       
CONECT    9   17   10   30   31                                       
CONECT   10    9   11   32   33                                       
CONECT   11   10   24   34   35                                       
CONECT   12   13   13    1   15                                       
CONECT   13   12   12    3    4                                       
CONECT   14    1    4    4                                            
CONECT   15   12    2                                                 
CONECT   16    2   17   19   19                                       
CONECT   17   16    8    9                                            
CONECT   18    1    5    5   20                                       
CONECT   19   16   16                                                 
CONECT   20   18   21   21   36                                       
CONECT   21   20   20    6   37                                       
CONECT   22    6                                                      
CONECT   23    4   38   39   40                                       
CONECT   24    8   11   41   42                                       
CONECT   25    3                                                      
CONECT   26    5                                                      
CONECT   27    7                                                      
CONECT   28    8                                                      
CONECT   29    8                                                      
CONECT   30    9                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   11                                                      
CONECT   36   20                                                      
CONECT   37   21                                                      
CONECT   38   23                                                      
CONECT   39   23                                                      
CONECT   40   23                                                      
CONECT   41   24                                                      
CONECT   42   24                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
