COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.266   0.246  -3.402  1.00  0.00           C  
HETATM    2  C   UNL     1       1.541  -1.069   0.937  1.00  0.00           C  
HETATM    3  C   UNL     1       1.842  -0.197  -0.270  1.00  0.00           C  
HETATM    4  C   UNL     1       4.198  -0.261  -0.272  1.00  0.00           C  
HETATM    5  C   UNL     1       1.675   1.067   4.682  1.00  0.00           C  
HETATM    6  C   UNL     1       0.604   0.936   5.545  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.554   0.299   5.124  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.640  -0.200   3.834  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.219   0.783   7.206  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.262  -0.862  -5.924  1.00  0.00           N  
HETATM   11  S   UNL     1      -0.345   0.587  -5.129  1.00  0.00           S  
HETATM   12  O   UNL     1      -1.655   1.083  -5.365  1.00  0.00           O  
HETATM   13  O   UNL     1       0.861   1.269  -5.443  1.00  0.00           O  
HETATM   14  S   UNL     1      -1.599  -0.073  -2.255  1.00  0.00           S  
HETATM   15  C   UNL     1      -0.609  -0.302  -0.812  1.00  0.00           C  
HETATM   16  C   UNL     1       0.670  -0.120  -1.237  1.00  0.00           C  
HETATM   17  C   UNL     1       0.819   0.159  -2.599  1.00  0.00           C  
HETATM   18  N   UNL     1       0.358  -0.582   1.672  1.00  0.00           N  
HETATM   19  S   UNL     1      -1.089  -0.683   0.831  1.00  0.00           S  
HETATM   20  O   UNL     1      -1.461  -2.055   0.834  1.00  0.00           O  
HETATM   21  O   UNL     1      -1.892   0.399   1.281  1.00  0.00           O  
HETATM   22  N   UNL     1       3.005  -0.749  -0.977  1.00  0.00           N  
HETATM   23  C   UNL     1       0.438  -0.073   2.970  1.00  0.00           C  
HETATM   24  C   UNL     1       1.596   0.564   3.397  1.00  0.00           C  
HETATM   25  O   UNL     1      -1.607   0.172   5.974  1.00  0.00           O  
HETATM   26  H   UNL     1       1.357  -2.091   0.603  1.00  0.00           H  
HETATM   27  H   UNL     1       2.403  -1.063   1.605  1.00  0.00           H  
HETATM   28  H   UNL     1       2.083   0.808   0.072  1.00  0.00           H  
HETATM   29  H   UNL     1       5.089  -0.706  -0.715  1.00  0.00           H  
HETATM   30  H   UNL     1       4.252   0.823  -0.358  1.00  0.00           H  
HETATM   31  H   UNL     1       4.138  -0.539   0.779  1.00  0.00           H  
HETATM   32  H   UNL     1       2.576   1.563   5.012  1.00  0.00           H  
HETATM   33  H   UNL     1       0.669   1.329   6.549  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.541  -0.695   3.505  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.036   0.704   7.924  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.339   0.277   7.602  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.987   1.834   7.033  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.291  -0.887  -6.893  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.185  -1.688  -5.420  1.00  0.00           H  
HETATM   40  H   UNL     1       1.806   0.305  -3.013  1.00  0.00           H  
HETATM   41  H   UNL     1       3.016  -0.326  -1.893  1.00  0.00           H  
HETATM   42  H   UNL     1       2.435   0.668   2.725  1.00  0.00           H  
CONECT    1   11   14   17   17                                       
CONECT    2    3   18   26   27                                       
CONECT    3    2   16   22   28                                       
CONECT    4   22   29   30   31                                       
CONECT    5    6    6   24   32                                       
CONECT    6    5    5    7   33                                       
CONECT    7    6    8    8   25                                       
CONECT    8    7    7   23   34                                       
CONECT    9   25   35   36   37                                       
CONECT   10   11   38   39                                            
CONECT   11    1   10   12   12                                       
CONECT   11   13   13                                                 
CONECT   12   11   11                                                 
CONECT   13   11   11                                                 
CONECT   14    1   15                                                 
CONECT   15   14   16   16   19                                       
CONECT   16    3   15   15   17                                       
CONECT   17    1    1   16   40                                       
CONECT   18    2   19   23                                            
CONECT   19   15   18   20   20                                       
CONECT   19   21   21                                                 
CONECT   20   19   19                                                 
CONECT   21   19   19                                                 
CONECT   22    3    4   41                                            
CONECT   23    8   18   24   24                                       
CONECT   24    5   23   23   42                                       
CONECT   25    7    9                                                 
CONECT   26    2                                                      
CONECT   27    2                                                      
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   10                                                      
CONECT   40   17                                                      
CONECT   41   22                                                      
CONECT   42   24                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
