COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.451   0.053  -2.632  1.00  0.00           C  
HETATM    2  C   UNL     1       1.414   0.267   1.874  1.00  0.00           C  
HETATM    3  C   UNL     1       1.698  -0.281   0.485  1.00  0.00           C  
HETATM    4  C   UNL     1       0.340  -1.237   3.671  1.00  0.00           C  
HETATM    5  C   UNL     1       0.168  -0.380   4.926  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.211   1.034   6.093  1.00  0.00           C  
HETATM    7  C   UNL     1       4.053  -0.278   0.389  1.00  0.00           C  
HETATM    8  O   UNL     1      -1.798   0.770  -4.671  1.00  0.00           O  
HETATM    9  O   UNL     1       0.717   0.610  -4.825  1.00  0.00           O  
HETATM   10  N   UNL     1      -0.686  -1.402  -4.959  1.00  0.00           N  
HETATM   11  S   UNL     1      -0.553   0.146  -4.388  1.00  0.00           S  
HETATM   12  C   UNL     1       0.645  -0.057  -1.846  1.00  0.00           C  
HETATM   13  C   UNL     1       0.514  -0.119  -0.455  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.760  -0.049   0.016  1.00  0.00           C  
HETATM   15  S   UNL     1      -1.769   0.082  -1.424  1.00  0.00           S  
HETATM   16  S   UNL     1      -1.218  -0.083   1.711  1.00  0.00           S  
HETATM   17  O   UNL     1      -2.017  -1.245   1.888  1.00  0.00           O  
HETATM   18  O   UNL     1      -1.588   1.244   2.057  1.00  0.00           O  
HETATM   19  N   UNL     1       0.240  -0.386   2.482  1.00  0.00           N  
HETATM   20  N   UNL     1       2.853   0.428  -0.079  1.00  0.00           N  
HETATM   21  O   UNL     1      -1.112   0.253   4.900  1.00  0.00           O  
HETATM   22  C   UNL     1       5.293   0.332  -0.265  1.00  0.00           C  
HETATM   23  H   UNL     1       2.285   0.098   2.508  1.00  0.00           H  
HETATM   24  H   UNL     1       1.229   1.339   1.803  1.00  0.00           H  
HETATM   25  H   UNL     1       1.941  -1.340   0.567  1.00  0.00           H  
HETATM   26  H   UNL     1      -0.440  -1.997   3.640  1.00  0.00           H  
HETATM   27  H   UNL     1       1.317  -1.720   3.691  1.00  0.00           H  
HETATM   28  H   UNL     1       0.243  -1.012   5.811  1.00  0.00           H  
HETATM   29  H   UNL     1       0.949   0.380   4.957  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.176   1.539   6.117  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.119   0.383   6.962  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.412   1.776   6.108  1.00  0.00           H  
HETATM   33  H   UNL     1       3.982  -1.332   0.120  1.00  0.00           H  
HETATM   34  H   UNL     1       4.130  -0.183   1.472  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.755  -1.564  -5.913  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.695  -2.148  -4.339  1.00  0.00           H  
HETATM   37  H   UNL     1       1.626  -0.096  -2.296  1.00  0.00           H  
HETATM   38  H   UNL     1       2.869   1.342   0.347  1.00  0.00           H  
HETATM   39  H   UNL     1       6.183  -0.191   0.082  1.00  0.00           H  
HETATM   40  H   UNL     1       5.216   0.238  -1.348  1.00  0.00           H  
HETATM   41  H   UNL     1       5.364   1.386   0.002  1.00  0.00           H  
CONECT    1   11   12   12   15                                       
CONECT    2    3   19   23   24                                       
CONECT    3    2   13   20   25                                       
CONECT    4    5   19   26   27                                       
CONECT    5    4   21   28   29                                       
CONECT    6   21   30   31   32                                       
CONECT    7   20   22   33   34                                       
CONECT    8   11   11                                                 
CONECT    9   11   11                                                 
CONECT   10   11   35   36                                            
CONECT   11    1    8    8    9                                       
CONECT   11    9   10                                                 
CONECT   12    1    1   13   37                                       
CONECT   13    3   12   14   14                                       
CONECT   14   13   13   15   16                                       
CONECT   15    1   14                                                 
CONECT   16   14   17   17   18                                       
CONECT   16   18   19                                                 
CONECT   17   16   16                                                 
CONECT   18   16   16                                                 
CONECT   19    2    4   16                                            
CONECT   20    3    7   38                                            
CONECT   21    5    6                                                 
CONECT   22    7   39   40   41                                       
CONECT   23    2                                                      
CONECT   24    2                                                      
CONECT   25    3                                                      
CONECT   26    4                                                      
CONECT   27    4                                                      
CONECT   28    5                                                      
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35   10                                                      
CONECT   36   10                                                      
CONECT   37   12                                                      
CONECT   38   20                                                      
CONECT   39   22                                                      
CONECT   40   22                                                      
CONECT   41   22                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
