COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.455  -1.358  -0.152  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.114  -2.694  -0.102  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.786  -3.082   0.002  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.788  -2.134   0.057  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.119  -0.779   0.008  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.463  -0.388  -0.097  1.00  0.00           C  
HETATM    7  O   UNL     1      -5.779   0.925  -0.144  1.00  0.00           O  
HETATM    8  C   UNL     1      -4.837   1.880  -0.092  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.475   1.572   0.013  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.078   0.260   0.065  1.00  0.00           C  
HETATM   11  O   UNL     1      -5.177   3.050  -0.139  1.00  0.00           O  
HETATM   12  N   UNL     1      -1.746  -0.075   0.169  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.728   0.978   0.225  1.00  0.00           C  
HETATM   14  C   UNL     1       0.659   0.341   0.338  1.00  0.00           C  
HETATM   15  C   UNL     1       1.721   1.440   0.396  1.00  0.00           C  
HETATM   16  N   UNL     1       3.049   0.831   0.505  1.00  0.00           N  
HETATM   17  C   UNL     1       3.745   0.529  -0.609  1.00  0.00           C  
HETATM   18  C   UNL     1       5.082  -0.062  -0.500  1.00  0.00           C  
HETATM   19  S   UNL     1       5.829  -0.629   0.988  1.00  0.00           S  
HETATM   20  C   UNL     1       7.242  -1.097   0.155  1.00  0.00           C  
HETATM   21  C   UNL     1       7.137  -0.834  -1.153  1.00  0.00           C  
HETATM   22  C   UNL     1       5.946  -0.266  -1.539  1.00  0.00           C  
HETATM   23  O   UNL     1       3.264   0.747  -1.705  1.00  0.00           O  
HETATM   24  C   UNL     1       3.620   0.549   1.824  1.00  0.00           C  
HETATM   25  H   UNL     1      -7.491  -1.068  -0.237  1.00  0.00           H  
HETATM   26  H   UNL     1      -6.889  -3.445  -0.145  1.00  0.00           H  
HETATM   27  H   UNL     1      -4.535  -4.131   0.040  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.755  -2.438   0.139  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.740   2.363   0.052  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.481  -1.007   0.206  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.778   1.580  -0.683  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.909   1.613   1.092  1.00  0.00           H  
HETATM   33  H   UNL     1       0.709  -0.261   1.246  1.00  0.00           H  
HETATM   34  H   UNL     1       0.839  -0.294  -0.529  1.00  0.00           H  
HETATM   35  H   UNL     1       1.671   2.042  -0.512  1.00  0.00           H  
HETATM   36  H   UNL     1       1.541   2.075   1.263  1.00  0.00           H  
HETATM   37  H   UNL     1       8.108  -1.544   0.622  1.00  0.00           H  
HETATM   38  H   UNL     1       7.926  -1.059  -1.855  1.00  0.00           H  
HETATM   39  H   UNL     1       5.719   0.000  -2.561  1.00  0.00           H  
HETATM   40  H   UNL     1       3.430  -0.491   2.088  1.00  0.00           H  
HETATM   41  H   UNL     1       4.695   0.728   1.801  1.00  0.00           H  
HETATM   42  H   UNL     1       3.159   1.202   2.566  1.00  0.00           H  
CONECT    1    2    2    6   25                                       
CONECT    2    1    1    3   26                                       
CONECT    3    2    4    4   27                                       
CONECT    4    3    3    5   28                                       
CONECT    5    6    6    4   10                                       
CONECT    6    1    7    5    5                                       
CONECT    7    6    8                                                 
CONECT    8    7   11   11    9                                       
CONECT    9    8   10   10   29                                       
CONECT   10    5    9    9   12                                       
CONECT   11    8    8                                                 
CONECT   12   10   13   30                                            
CONECT   13   12   14   31   32                                       
CONECT   14   13   15   33   34                                       
CONECT   15   14   16   35   36                                       
CONECT   16   15   17   24                                            
CONECT   17   18   16   23   23                                       
CONECT   18   22   22   19   17                                       
CONECT   19   20   18                                                 
CONECT   20   21   21   19   37                                       
CONECT   21   22   20   20   38                                       
CONECT   22   21   18   18   39                                       
CONECT   23   17   17                                                 
CONECT   24   16   40   41   42                                       
CONECT   25    1                                                      
CONECT   26    2                                                      
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    9                                                      
CONECT   30   12                                                      
CONECT   31   13                                                      
CONECT   32   13                                                      
CONECT   33   14                                                      
CONECT   34   14                                                      
CONECT   35   15                                                      
CONECT   36   15                                                      
CONECT   37   20                                                      
CONECT   38   21                                                      
CONECT   39   22                                                      
CONECT   40   24                                                      
CONECT   41   24                                                      
CONECT   42   24                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
