COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1       4.450  -2.928  -0.893  1.00  0.00          Cl  
HETATM    2  C   UNL     1       3.381  -1.930   0.042  1.00  0.00           C  
HETATM    3  C   UNL     1       3.135  -2.234   1.369  1.00  0.00           C  
HETATM    4  C   UNL     1       2.283  -1.442   2.116  1.00  0.00           C  
HETATM    5  C   UNL     1       1.676  -0.343   1.540  1.00  0.00           C  
HETATM    6  C   UNL     1       1.920  -0.034   0.208  1.00  0.00           C  
HETATM    7  C   UNL     1       2.780  -0.829  -0.539  1.00  0.00           C  
HETATM    8  N   UNL     1       1.307   1.076  -0.377  1.00  0.00           N  
HETATM    9  C   UNL     1       0.451   0.904  -1.553  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.939   0.525  -1.112  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.897   1.512  -0.962  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.175   1.160  -0.562  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.447  -0.192  -0.324  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.424  -1.126  -0.498  1.00  0.00           C  
HETATM   15  N   UNL     1      -1.224  -0.742  -0.881  1.00  0.00           N  
HETATM   16  C   UNL     1      -4.794  -0.624   0.105  1.00  0.00           C  
HETATM   17  O   UNL     1      -5.677   0.198   0.254  1.00  0.00           O  
HETATM   18  N   UNL     1      -5.043  -1.929   0.331  1.00  0.00           N  
HETATM   19  N   UNL     1      -6.288  -2.328   0.728  1.00  0.00           N  
HETATM   20  S   UNL     1       1.547   2.586   0.259  1.00  0.00           S  
HETATM   21  C   UNL     1       0.154   2.825   1.396  1.00  0.00           C  
HETATM   22  O   UNL     1       2.766   2.472   0.981  1.00  0.00           O  
HETATM   23  O   UNL     1       1.436   3.458  -0.857  1.00  0.00           O  
HETATM   24  H   UNL     1       3.608  -3.092   1.822  1.00  0.00           H  
HETATM   25  H   UNL     1       2.092  -1.682   3.152  1.00  0.00           H  
HETATM   26  H   UNL     1       1.010   0.275   2.125  1.00  0.00           H  
HETATM   27  H   UNL     1       2.976  -0.589  -1.574  1.00  0.00           H  
HETATM   28  H   UNL     1       0.413   1.838  -2.114  1.00  0.00           H  
HETATM   29  H   UNL     1       0.858   0.116  -2.187  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.651   2.545  -1.155  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.942   1.910  -0.437  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.619  -2.173  -0.318  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.339  -2.585   0.213  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.991  -2.023   0.072  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.323  -3.328   0.858  1.00  0.00           H  
HETATM   36  H   UNL     1       0.086   1.973   2.072  1.00  0.00           H  
HETATM   37  H   UNL     1       0.309   3.736   1.974  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.771   2.910   0.824  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    7    7    3                                       
CONECT    3    2    4    4   24                                       
CONECT    4    3    3    5   25                                       
CONECT    5    6    6    4   26                                       
CONECT    6    7    8    5    5                                       
CONECT    7    2    2    6   27                                       
CONECT    8   20    9    6                                            
CONECT    9   10    8   28   29                                       
CONECT   10   11   11   15    9                                       
CONECT   11   12   10   10   30                                       
CONECT   12   13   13   11   31                                       
CONECT   13   16   12   12   14                                       
CONECT   14   13   15   15   32                                       
CONECT   15   14   14   10                                            
CONECT   16   17   17   18   13                                       
CONECT   17   16   16                                                 
CONECT   18   19   16   33                                            
CONECT   19   18   34   35                                            
CONECT   20   23   23   22   22                                       
CONECT   20    8   21                                                 
CONECT   21   20   36   37   38                                       
CONECT   22   20   20                                                 
CONECT   23   20   20                                                 
CONECT   24    3                                                      
CONECT   25    4                                                      
CONECT   26    5                                                      
CONECT   27    7                                                      
CONECT   28    9                                                      
CONECT   29    9                                                      
CONECT   30   11                                                      
CONECT   31   12                                                      
CONECT   32   14                                                      
CONECT   33   18                                                      
CONECT   34   19                                                      
CONECT   35   19                                                      
CONECT   36   21                                                      
CONECT   37   21                                                      
CONECT   38   21                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
