COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.216   0.216  -0.005  1.00  0.00           C  
HETATM    2  C   UNL     1       2.132   1.577   0.002  1.00  0.00           C  
HETATM    3  C   UNL     1       0.758   1.678   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.026   0.534   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.432   1.877  -0.005  1.00  0.00           C  
HETATM    6  C   UNL     1       7.044   2.631   0.008  1.00  0.00           C  
HETATM    7  C   UNL     1       6.433   1.228   0.002  1.00  0.00           C  
HETATM    8  N   UNL     1       4.971   1.332   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1       4.748  -0.877  -0.009  1.00  0.00           O  
HETATM   10  C   UNL     1       2.744   0.321  -0.001  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.379   0.638  -0.002  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.928   1.958  -0.003  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.049   0.641  -0.005  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.435   0.577  -0.001  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.150   1.765   0.002  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.463   2.964   0.002  1.00  0.00           C  
HETATM   17  N   UNL     1      -4.145   2.987  -0.002  1.00  0.00           N  
HETATM   18  C   UNL     1       0.577  -0.730   0.002  1.00  0.00           C  
HETATM   19  C   UNL     1       1.961  -0.835  -0.002  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.262  -1.955   0.002  1.00  0.00           C  
HETATM   21  C   UNL     1       0.176  -3.248  -0.001  1.00  0.00           C  
HETATM   22  N   UNL     1      -0.936  -4.018   0.002  1.00  0.00           N  
HETATM   23  C   UNL     1      -0.962  -5.483  -0.004  1.00  0.00           C  
HETATM   24  N   UNL     1      -1.966  -3.248   0.006  1.00  0.00           N  
HETATM   25  N   UNL     1      -1.605  -2.014   0.011  1.00  0.00           N  
HETATM   26  H   UNL     1       2.738   2.472   0.002  1.00  0.00           H  
HETATM   27  H   UNL     1       0.289   2.651  -0.001  1.00  0.00           H  
HETATM   28  H   UNL     1       8.131   2.553   0.010  1.00  0.00           H  
HETATM   29  H   UNL     1       6.720   3.172  -0.881  1.00  0.00           H  
HETATM   30  H   UNL     1       6.717   3.166   0.900  1.00  0.00           H  
HETATM   31  H   UNL     1       6.760   0.693  -0.890  1.00  0.00           H  
HETATM   32  H   UNL     1       6.757   0.686   0.891  1.00  0.00           H  
HETATM   33  H   UNL     1       4.547   2.205   0.002  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.591   2.490  -0.893  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.594   2.491   0.887  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.461  -0.265  -0.009  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.944  -0.375  -0.001  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.230   1.753   0.005  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.013   3.894   0.005  1.00  0.00           H  
HETATM   40  H   UNL     1       2.431  -1.807   0.000  1.00  0.00           H  
HETATM   41  H   UNL     1       1.201  -3.586  -0.004  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.969  -5.842  -1.034  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.078  -5.865   0.508  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.858  -5.833   0.508  1.00  0.00           H  
CONECT    1   10    8    9    9                                       
CONECT    2   10   10    3   26                                       
CONECT    3    4    4    2   27                                       
CONECT    4   18   11    3    3                                       
CONECT    5   12   13   13   17                                       
CONECT    6    7   28   29   30                                       
CONECT    7    6    8   31   32                                       
CONECT    8    1    7   33                                            
CONECT    9    1    1                                                 
CONECT   10   19    1    2    2                                       
CONECT   11    4   12                                                 
CONECT   12   11    5   34   35                                       
CONECT   13    5    5   14   36                                       
CONECT   14   13   15   15   37                                       
CONECT   15   14   14   16   38                                       
CONECT   16   17   17   15   39                                       
CONECT   17    5   16   16                                            
CONECT   18   20   19   19    4                                       
CONECT   19   18   18   10   40                                       
CONECT   20   21   21   25   18                                       
CONECT   21   22   20   20   41                                       
CONECT   22   23   24   21                                            
CONECT   23   22   42   43   44                                       
CONECT   24   22   25   25                                            
CONECT   25   24   24   20                                            
CONECT   26    2                                                      
CONECT   27    3                                                      
CONECT   28    6                                                      
CONECT   29    6                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34   12                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   19                                                      
CONECT   41   21                                                      
CONECT   42   23                                                      
CONECT   43   23                                                      
CONECT   44   23                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
