COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.441   0.547  -0.703  1.00  0.00           C  
HETATM    2  S   UNL     1       0.504  -0.931  -0.874  1.00  0.00           S  
HETATM    3  C   UNL     1       0.636   1.554  -0.350  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.694   1.216  -0.206  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.976  -0.079  -0.453  1.00  0.00           C  
HETATM    6  C   UNL     1       3.501  -0.706  -1.305  1.00  0.00           C  
HETATM    7  C   UNL     1       3.560  -1.605  -0.102  1.00  0.00           C  
HETATM    8  N   UNL     1       3.581  -1.134   1.153  1.00  0.00           N  
HETATM    9  C   UNL     1       3.485   0.223   1.409  1.00  0.00           C  
HETATM   10  N   UNL     1       3.580   1.090   0.334  1.00  0.00           N  
HETATM   11  C   UNL     1       2.929   0.660  -0.917  1.00  0.00           C  
HETATM   12  C   UNL     1       3.216   1.675  -2.026  1.00  0.00           C  
HETATM   13 CL   UNL     1       1.221   3.168  -0.092  1.00  0.00          Cl  
HETATM   14  C   UNL     1      -2.319  -0.692  -0.369  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.428   0.079  -0.011  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.674  -0.550   0.053  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.762  -1.911  -0.241  1.00  0.00           C  
HETATM   18  N   UNL     1      -3.691  -2.602  -0.575  1.00  0.00           N  
HETATM   19  C   UNL     1      -2.499  -2.047  -0.652  1.00  0.00           C  
HETATM   20  N   UNL     1       3.311   0.669   2.620  1.00  0.00           N  
HETATM   21  O   UNL     1       3.588  -2.805  -0.274  1.00  0.00           O  
HETATM   22  C   UNL     1       3.707  -2.071   2.272  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.844   0.192   0.415  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.804   0.801   0.712  1.00  0.00           C  
HETATM   25  C   UNL     1      -8.006   1.564   1.084  1.00  0.00           C  
HETATM   26  H   UNL     1      -1.451   1.933   0.075  1.00  0.00           H  
HETATM   27  H   UNL     1       4.506  -0.576  -1.708  1.00  0.00           H  
HETATM   28  H   UNL     1       2.864  -1.160  -2.064  1.00  0.00           H  
HETATM   29  H   UNL     1       4.050   1.936   0.400  1.00  0.00           H  
HETATM   30  H   UNL     1       2.817   2.648  -1.740  1.00  0.00           H  
HETATM   31  H   UNL     1       4.293   1.753  -2.176  1.00  0.00           H  
HETATM   32  H   UNL     1       2.743   1.346  -2.951  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.325   1.131   0.211  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.721  -2.406  -0.194  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.647  -2.651  -0.930  1.00  0.00           H  
HETATM   36  H   UNL     1       3.247   1.623   2.781  1.00  0.00           H  
HETATM   37  H   UNL     1       4.762  -2.223   2.501  1.00  0.00           H  
HETATM   38  H   UNL     1       3.200  -1.663   3.146  1.00  0.00           H  
HETATM   39  H   UNL     1       3.254  -3.024   2.000  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.873   0.902   1.077  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.877   1.982   2.082  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.160   2.371   0.368  1.00  0.00           H  
CONECT    1    2   11    3    3                                       
CONECT    2    1    5                                                 
CONECT    3    1    1    4   13                                       
CONECT    4    3    5    5   26                                       
CONECT    5    4    4    2   14                                       
CONECT    6    7   27   28   11                                       
CONECT    7    6   21   21    8                                       
CONECT    8    7   22    9                                            
CONECT    9    8   20   20   10                                       
CONECT   10    9   29   11                                            
CONECT   11    1    6   10   12                                       
CONECT   12   11   30   31   32                                       
CONECT   13    3                                                      
CONECT   14    5   15   15   19                                       
CONECT   15   14   14   16   33                                       
CONECT   16   15   23   17   17                                       
CONECT   17   16   16   34   18                                       
CONECT   18   19   19   17                                            
CONECT   19   18   18   14   35                                       
CONECT   20    9    9   36                                            
CONECT   21    7    7                                                 
CONECT   22    8   37   38   39                                       
CONECT   23   16   24   24   24                                       
CONECT   24   23   23   23   25                                       
CONECT   25   24   40   41   42                                       
CONECT   26    4                                                      
CONECT   27    6                                                      
CONECT   28    6                                                      
CONECT   29   10                                                      
CONECT   30   12                                                      
CONECT   31   12                                                      
CONECT   32   12                                                      
CONECT   33   15                                                      
CONECT   34   17                                                      
CONECT   35   19                                                      
CONECT   36   20                                                      
CONECT   37   22                                                      
CONECT   38   22                                                      
CONECT   39   22                                                      
CONECT   40   25                                                      
CONECT   41   25                                                      
CONECT   42   25                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
