COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.545   1.227   0.244  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.441   0.425   0.495  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.041   0.331   0.250  1.00  0.00           C  
HETATM    4  C   UNL     1       0.931  -1.464  -0.821  1.00  0.00           C  
HETATM    5  C   UNL     1       2.333   0.126   0.082  1.00  0.00           C  
HETATM    6  C   UNL     1       1.223   0.843   0.522  1.00  0.00           C  
HETATM    7  C   UNL     1       9.094   0.272   0.026  1.00  0.00           C  
HETATM    8  C   UNL     1       8.399   0.734  -1.076  1.00  0.00           C  
HETATM    9  C   UNL     1       7.052   0.455  -1.211  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.585  -0.956   0.576  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.827  -1.535   0.407  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.934  -0.739   0.156  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.387   2.588  -0.336  1.00  0.00           C  
HETATM   14  O   UNL     1      -8.124   0.257  -0.467  1.00  0.00           O  
HETATM   15  C   UNL     1      -6.931   0.146  -0.254  1.00  0.00           C  
HETATM   16  N   UNL     1      -6.285  -1.018  -0.054  1.00  0.00           N  
HETATM   17  C   UNL     1      -6.895  -2.350  -0.057  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.792   0.648   0.074  1.00  0.00           C  
HETATM   19  N   UNL     1      -6.059   1.169  -0.178  1.00  0.00           N  
HETATM   20  N   UNL     1      -1.179   1.006   0.667  1.00  0.00           N  
HETATM   21  N   UNL     1       2.145  -1.015  -0.579  1.00  0.00           N  
HETATM   22  N   UNL     1      -0.144  -0.816  -0.421  1.00  0.00           N  
HETATM   23  S   UNL     1       3.962   0.721   0.394  1.00  0.00           S  
HETATM   24  C   UNL     1       4.931  -0.591  -0.390  1.00  0.00           C  
HETATM   25  C   UNL     1       6.400  -0.287  -0.243  1.00  0.00           C  
HETATM   26  C   UNL     1       8.444  -0.474   0.990  1.00  0.00           C  
HETATM   27  C   UNL     1       7.095  -0.749   0.859  1.00  0.00           C  
HETATM   28  H   UNL     1      -3.432   2.300   0.186  1.00  0.00           H  
HETATM   29  H   UNL     1       0.813  -2.391  -1.363  1.00  0.00           H  
HETATM   30  H   UNL     1       1.340   1.772   1.060  1.00  0.00           H  
HETATM   31  H   UNL     1      10.147   0.491   0.131  1.00  0.00           H  
HETATM   32  H   UNL     1       8.908   1.314  -1.832  1.00  0.00           H  
HETATM   33  H   UNL     1       6.509   0.815  -2.072  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.724  -1.577   0.771  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.936  -2.608   0.470  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.297   2.867  -1.385  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.409   2.764   0.001  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.700   3.188   0.260  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.219  -2.603   0.952  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.755  -2.354  -0.727  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.165  -3.083  -0.399  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.100   1.881   1.077  1.00  0.00           H  
HETATM   43  H   UNL     1       4.708  -1.544   0.091  1.00  0.00           H  
HETATM   44  H   UNL     1       4.676  -0.649  -1.448  1.00  0.00           H  
HETATM   45  H   UNL     1       8.988  -0.839   1.849  1.00  0.00           H  
HETATM   46  H   UNL     1       6.586  -1.328   1.615  1.00  0.00           H  
CONECT    1    2   18   18   28                                       
CONECT    2   20   10   10    1                                       
CONECT    3    6    6   22   20                                       
CONECT    4   21   22   22   29                                       
CONECT    5   23   21   21    6                                       
CONECT    6    5    3    3   30                                       
CONECT    7   26   26    8   31                                       
CONECT    8    9    9    7   32                                       
CONECT    9   25    8    8   33                                       
CONECT   10    2    2   11   34                                       
CONECT   11   10   12   12   35                                       
CONECT   12   11   11   18   16                                       
CONECT   13   19   36   37   38                                       
CONECT   14   15   15                                                 
CONECT   15   19   16   14   14                                       
CONECT   16   12   17   15                                            
CONECT   17   16   39   40   41                                       
CONECT   18    1    1   12   19                                       
CONECT   19   18   13   15                                            
CONECT   20    3    2   42                                            
CONECT   21    5    5    4                                            
CONECT   22    4    4    3                                            
CONECT   23    5   24                                                 
CONECT   24   23   25   43   44                                       
CONECT   25   24   27   27    9                                       
CONECT   26   27    7    7   45                                       
CONECT   27   25   25   26   46                                       
CONECT   28    1                                                      
CONECT   29    4                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   13                                                      
CONECT   37   13                                                      
CONECT   38   13                                                      
CONECT   39   17                                                      
CONECT   40   17                                                      
CONECT   41   17                                                      
CONECT   42   20                                                      
CONECT   43   24                                                      
CONECT   44   24                                                      
CONECT   45   26                                                      
CONECT   46   27                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
