COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.194  -0.122   0.207  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.954   0.274   0.669  1.00  0.00           C  
HETATM    3  C   UNL     1       0.199  -0.252   0.100  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.608  -0.831  -0.752  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.088   0.347  -1.306  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.204   0.957  -0.769  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.844   0.395   0.322  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.366  -0.780   0.876  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.254  -1.397   0.338  1.00  0.00           C  
HETATM   10  C   UNL     1       2.925  -0.696  -0.352  1.00  0.00           C  
HETATM   11  C   UNL     1       6.089  -0.560   1.836  1.00  0.00           C  
HETATM   12  C   UNL     1       6.771  -0.819  -0.449  1.00  0.00           C  
HETATM   13  C   UNL     1       5.333  -1.093  -0.898  1.00  0.00           C  
HETATM   14  N   UNL     1       4.546   1.730  -1.264  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.137  -1.570  -1.394  1.00  0.00           C  
HETATM   16  C   UNL     1       0.103  -1.176  -0.933  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.288  -1.044  -0.825  1.00  0.00           C  
HETATM   18  C   UNL     1       4.587   1.123  -0.061  1.00  0.00           C  
HETATM   19  C   UNL     1       4.624  -0.824   1.479  1.00  0.00           C  
HETATM   20  C   UNL     1       4.366  -0.364   0.040  1.00  0.00           C  
HETATM   21  O   UNL     1       4.801   1.773   0.940  1.00  0.00           O  
HETATM   22  O   UNL     1       6.935  -1.241   0.906  1.00  0.00           O  
HETATM   23  O   UNL     1       4.857   3.107  -1.372  1.00  0.00           O  
HETATM   24  O   UNL     1      -3.509  -1.433  -1.279  1.00  0.00           O  
HETATM   25  S   UNL     1       1.781   0.253   0.688  1.00  0.00           S  
HETATM   26 CL   UNL     1      -8.246   1.164   0.997  1.00  0.00          Cl  
HETATM   27  H   UNL     1      -3.091   0.284   0.652  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.881   0.992   1.472  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.588   0.786  -2.157  1.00  0.00           H  
HETATM   30  H   UNL     1      -6.578   1.874  -1.200  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.867  -1.217   1.728  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.882  -2.314   0.771  1.00  0.00           H  
HETATM   33  H   UNL     1       2.764  -0.436  -1.399  1.00  0.00           H  
HETATM   34  H   UNL     1       2.746  -1.762  -0.211  1.00  0.00           H  
HETATM   35  H   UNL     1       6.287   0.511   1.790  1.00  0.00           H  
HETATM   36  H   UNL     1       6.289  -0.924   2.843  1.00  0.00           H  
HETATM   37  H   UNL     1       7.463  -1.369  -1.087  1.00  0.00           H  
HETATM   38  H   UNL     1       6.979   0.249  -0.525  1.00  0.00           H  
HETATM   39  H   UNL     1       5.194  -0.731  -1.917  1.00  0.00           H  
HETATM   40  H   UNL     1       5.138  -2.165  -0.861  1.00  0.00           H  
HETATM   41  H   UNL     1       4.303   1.224  -2.055  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.211  -2.288  -2.197  1.00  0.00           H  
HETATM   43  H   UNL     1       0.999  -1.585  -1.377  1.00  0.00           H  
HETATM   44  H   UNL     1       4.415  -1.890   1.563  1.00  0.00           H  
HETATM   45  H   UNL     1       3.977  -0.271   2.160  1.00  0.00           H  
HETATM   46  H   UNL     1       4.801   3.453  -2.274  1.00  0.00           H  
CONECT    1   17   17    2   27                                       
CONECT    2    1    3    3   28                                       
CONECT    3    2    2   16   25                                       
CONECT    4    5    5    9   24                                       
CONECT    5    6    4    4   29                                       
CONECT    6    7    7    5   30                                       
CONECT    7   26    6    6    8                                       
CONECT    8    7    9    9   31                                       
CONECT    9    8    8    4   32                                       
CONECT   10   25   20   33   34                                       
CONECT   11   22   19   35   36                                       
CONECT   12   13   22   37   38                                       
CONECT   13   12   20   39   40                                       
CONECT   14   18   23   41                                            
CONECT   15   17   16   16   42                                       
CONECT   16   15   15    3   43                                       
CONECT   17   24    1    1   15                                       
CONECT   18   21   21   20   14                                       
CONECT   19   20   11   44   45                                       
CONECT   20   13   10   18   19                                       
CONECT   21   18   18                                                 
CONECT   22   12   11                                                 
CONECT   23   14   46                                                 
CONECT   24    4   17                                                 
CONECT   25    3   10                                                 
CONECT   26    7                                                      
CONECT   27    1                                                      
CONECT   28    2                                                      
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   19                                                      
CONECT   45   19                                                      
CONECT   46   23                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
