COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.464   0.695   2.958  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.281  -0.328   2.475  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.640  -0.123   2.355  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.192   1.096   2.700  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.387   2.118   3.174  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.028   1.924   3.305  1.00  0.00           C  
HETATM    7  C   UNL     1       0.990   0.481   3.095  1.00  0.00           C  
HETATM    8  O   UNL     1       1.494  -0.546   2.688  1.00  0.00           O  
HETATM    9  O   UNL     1       1.759   1.425   3.672  1.00  0.00           O  
HETATM   10  C   UNL     1       3.202   1.266   3.706  1.00  0.00           C  
HETATM   11  C   UNL     1       3.821   2.407   4.516  1.00  0.00           C  
HETATM   12  S   UNL     1      -0.580  -1.884   2.034  1.00  0.00           S  
HETATM   13  O   UNL     1       0.174  -2.301   3.164  1.00  0.00           O  
HETATM   14  O   UNL     1      -1.631  -2.623   1.428  1.00  0.00           O  
HETATM   15  N   UNL     1       0.525  -1.606   0.833  1.00  0.00           N  
HETATM   16  C   UNL     1       0.117  -1.132  -0.360  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.044  -0.817  -0.525  1.00  0.00           O  
HETATM   18  N   UNL     1       0.999  -1.008  -1.372  1.00  0.00           N  
HETATM   19  N   UNL     1       1.453  -0.387  -3.582  1.00  0.00           N  
HETATM   20  C   UNL     1       0.612  -0.399  -2.559  1.00  0.00           C  
HETATM   21  N   UNL     1      -0.585   0.158  -2.638  1.00  0.00           N  
HETATM   22  C   UNL     1      -0.989   0.748  -3.754  1.00  0.00           C  
HETATM   23 CL   UNL     1      -2.562   1.476  -3.843  1.00  0.00          Cl  
HETATM   24  C   UNL     1      -0.141   0.777  -4.848  1.00  0.00           C  
HETATM   25  C   UNL     1       1.112   0.181  -4.733  1.00  0.00           C  
HETATM   26  O   UNL     1       1.974   0.186  -5.778  1.00  0.00           O  
HETATM   27  C   UNL     1       3.154  -0.494  -5.344  1.00  0.00           C  
HETATM   28  H   UNL     1      -3.274  -0.916   1.985  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.256   1.253   2.599  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.825   3.068   3.443  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.401   2.722   3.676  1.00  0.00           H  
HETATM   32  H   UNL     1       3.594   1.287   2.689  1.00  0.00           H  
HETATM   33  H   UNL     1       3.451   0.313   4.172  1.00  0.00           H  
HETATM   34  H   UNL     1       4.894   2.240   4.616  1.00  0.00           H  
HETATM   35  H   UNL     1       3.647   3.353   4.003  1.00  0.00           H  
HETATM   36  H   UNL     1       3.365   2.440   5.505  1.00  0.00           H  
HETATM   37  H   UNL     1       1.465  -1.784   0.989  1.00  0.00           H  
HETATM   38  H   UNL     1       1.903  -1.344  -1.272  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.444   1.251  -5.770  1.00  0.00           H  
HETATM   40  H   UNL     1       3.880  -0.515  -6.156  1.00  0.00           H  
HETATM   41  H   UNL     1       3.580   0.028  -4.488  1.00  0.00           H  
HETATM   42  H   UNL     1       2.899  -1.514  -5.058  1.00  0.00           H  
CONECT    1    2    2    6    7                                       
CONECT    2    1    1    3   12                                       
CONECT    3    2    4    4   28                                       
CONECT    4    3    3    5   29                                       
CONECT    5    4    6    6   30                                       
CONECT    6    1    5    5   31                                       
CONECT    7    1    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   10                                                 
CONECT   10    9   11   32   33                                       
CONECT   11   10   34   35   36                                       
CONECT   12    2   13   13   14                                       
CONECT   12   14   15                                                 
CONECT   13   12   12                                                 
CONECT   14   12   12                                                 
CONECT   15   12   16   37                                            
CONECT   16   15   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   20   38                                            
CONECT   19   20   25   25                                            
CONECT   20   18   19   21   21                                       
CONECT   21   20   20   22                                            
CONECT   22   21   23   24   24                                       
CONECT   23   22                                                      
CONECT   24   22   22   25   39                                       
CONECT   25   19   19   24   26                                       
CONECT   26   25   27                                                 
CONECT   27   26   40   41   42                                       
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32   10                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   11                                                      
CONECT   36   11                                                      
CONECT   37   15                                                      
CONECT   38   18                                                      
CONECT   39   24                                                      
CONECT   40   27                                                      
CONECT   41   27                                                      
CONECT   42   27                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
