COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       6.581  -0.965  -0.325  1.00  0.00           O  
HETATM    2  C   UNL     1       5.345  -1.172   0.141  1.00  0.00           C  
HETATM    3  C   UNL     1       4.567  -0.108  -0.211  1.00  0.00           C  
HETATM    4  C   UNL     1       5.455   0.804  -0.948  1.00  0.00           C  
HETATM    5  C   UNL     1       6.657   0.208  -0.974  1.00  0.00           C  
HETATM    6  C   UNL     1       4.887  -2.379   0.919  1.00  0.00           C  
HETATM    7  C   UNL     1       3.140   0.090   0.090  1.00  0.00           C  
HETATM    8  S   UNL     1       2.277  -1.100   0.967  1.00  0.00           S  
HETATM    9  N   UNL     1       2.512   1.209  -0.324  1.00  0.00           N  
HETATM   10  C   UNL     1       1.132   1.344  -0.143  1.00  0.00           C  
HETATM   11  C   UNL     1       0.292   0.269  -0.387  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.084   0.407  -0.199  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.606   1.633   0.222  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.760   2.700   0.457  1.00  0.00           C  
HETATM   15  C   UNL     1       0.602   2.560   0.276  1.00  0.00           C  
HETATM   16 CL   UNL     1      -3.318   1.815   0.451  1.00  0.00          Cl  
HETATM   17  C   UNL     1      -1.984  -0.735  -0.451  1.00  0.00           C  
HETATM   18  N   UNL     1      -3.260  -0.602  -0.282  1.00  0.00           N  
HETATM   19  O   UNL     1      -4.123  -1.698  -0.524  1.00  0.00           O  
HETATM   20  C   UNL     1      -5.451  -1.244  -0.253  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.789  -0.073  -1.177  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.440  -2.387  -0.496  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.547  -0.789   1.204  1.00  0.00           C  
HETATM   24  H   UNL     1       5.192   1.757  -1.382  1.00  0.00           H  
HETATM   25  H   UNL     1       7.544   0.607  -1.443  1.00  0.00           H  
HETATM   26  H   UNL     1       5.723  -3.067   1.047  1.00  0.00           H  
HETATM   27  H   UNL     1       4.522  -2.065   1.896  1.00  0.00           H  
HETATM   28  H   UNL     1       4.085  -2.879   0.375  1.00  0.00           H  
HETATM   29  H   UNL     1       3.018   1.920  -0.749  1.00  0.00           H  
HETATM   30  H   UNL     1       0.702  -0.675  -0.713  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.166   3.646   0.783  1.00  0.00           H  
HETATM   32  H   UNL     1       1.258   3.397   0.462  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.578  -1.681  -0.777  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.720  -0.397  -2.215  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.801   0.273  -0.970  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.084   0.741  -1.004  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.199  -3.222   0.162  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.453  -2.041  -0.290  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.371  -2.711  -1.535  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.843   0.025   1.378  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.560  -0.443   1.411  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.307  -1.624   1.863  1.00  0.00           H  
CONECT    1    2    5                                                 
CONECT    2    1    3    3    6                                       
CONECT    3    2    2    4    7                                       
CONECT    4    3    5    5   24                                       
CONECT    5    1    4    4   25                                       
CONECT    6    2   26   27   28                                       
CONECT    7    3    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   10   29                                            
CONECT   10    9   11   11   15                                       
CONECT   11   10   10   12   30                                       
CONECT   12   11   13   13   17                                       
CONECT   13   12   12   14   16                                       
CONECT   14   13   15   15   31                                       
CONECT   15   10   14   14   32                                       
CONECT   16   13                                                      
CONECT   17   12   18   18   33                                       
CONECT   18   17   17   19                                            
CONECT   19   18   20                                                 
CONECT   20   19   21   22   23                                       
CONECT   21   20   34   35   36                                       
CONECT   22   20   37   38   39                                       
CONECT   23   20   40   41   42                                       
CONECT   24    4                                                      
CONECT   25    5                                                      
CONECT   26    6                                                      
CONECT   27    6                                                      
CONECT   28    6                                                      
CONECT   29    9                                                      
CONECT   30   11                                                      
CONECT   31   14                                                      
CONECT   32   15                                                      
CONECT   33   17                                                      
CONECT   34   21                                                      
CONECT   35   21                                                      
CONECT   36   21                                                      
CONECT   37   22                                                      
CONECT   38   22                                                      
CONECT   39   22                                                      
CONECT   40   23                                                      
CONECT   41   23                                                      
CONECT   42   23                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
