COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.294  -1.209   0.413  1.00  0.00           C  
HETATM    2  O4* UNL     1       4.071  -1.140  -0.573  1.00  0.00           O  
HETATM    3  C   UNL     1      -6.688  -0.527   1.457  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.580   0.262   1.215  1.00  0.00           C  
HETATM    5  C5* UNL     1       6.124  -2.250   0.147  1.00  0.00           C  
HETATM    6  C2* UNL     1       3.984   0.668   0.955  1.00  0.00           C  
HETATM    7  O   UNL     1      -8.387  -1.982   0.647  1.00  0.00           O  
HETATM    8  O5* UNL     1       6.235  -3.033  -1.044  1.00  0.00           O  
HETATM    9  O3* UNL     1       6.411   0.924   1.101  1.00  0.00           O  
HETATM   10  C   UNL     1      -1.410   1.007  -0.377  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.867   1.234  -0.329  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.075   0.372  -0.068  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.677  -0.307  -1.110  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.785  -1.098  -0.873  1.00  0.00           C  
HETATM   15  N   UNL     1      -2.652   0.428  -0.183  1.00  0.00           N  
HETATM   16  N   UNL     1       1.961  -0.065  -0.260  1.00  0.00           N  
HETATM   17  C3* UNL     1       5.353  -0.036   1.085  1.00  0.00           C  
HETATM   18  N   UNL     1       0.037  -1.041   0.068  1.00  0.00           N  
HETATM   19  C4* UNL     1       5.443  -0.919  -0.180  1.00  0.00           C  
HETATM   20  N   UNL     1       1.006   2.181  -0.777  1.00  0.00           N  
HETATM   21  C1* UNL     1       3.409   0.128  -0.373  1.00  0.00           C  
HETATM   22  C   UNL     1       1.325  -1.228   0.058  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.234   0.249  -0.241  1.00  0.00           C  
HETATM   24  C   UNL     1       0.997   0.891  -0.455  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.121   2.851  -0.893  1.00  0.00           C  
HETATM   26  N   UNL     1      -1.302   2.291  -0.701  1.00  0.00           N  
HETATM   27  O2* UNL     1       4.155   2.085   0.887  1.00  0.00           O  
HETATM   28  H   UNL     1      -7.082  -0.612   2.459  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.108   0.794   2.028  1.00  0.00           H  
HETATM   30 H5*1 UNL     1       5.530  -2.791   0.883  1.00  0.00           H  
HETATM   31 H5*2 UNL     1       7.119  -2.059   0.550  1.00  0.00           H  
HETATM   32  H2* UNL     1       3.336   0.400   1.789  1.00  0.00           H  
HETATM   33  H   UNL     1      -9.227  -1.510   0.565  1.00  0.00           H  
HETATM   34  H5* UNL     1       6.659  -3.892  -0.911  1.00  0.00           H  
HETATM   35  H3* UNL     1       7.294   0.536   1.181  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.918   1.633  -1.342  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.845   2.056   0.386  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.281  -0.220  -2.111  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.255  -1.628  -1.688  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.718  -0.511   0.050  1.00  0.00           H  
HETATM   41  H3* UNL     1       5.382  -0.653   1.984  1.00  0.00           H  
HETATM   42  H4* UNL     1       5.986  -0.400  -0.970  1.00  0.00           H  
HETATM   43  H1* UNL     1       3.638   0.811  -1.191  1.00  0.00           H  
HETATM   44  H   UNL     1       1.817  -2.166   0.269  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.079   3.898  -1.155  1.00  0.00           H  
HETATM   46  H2* UNL     1       4.514   2.477   1.694  1.00  0.00           H  
CONECT    1    7    3    3   14                                       
CONECT    2   21   19                                                 
CONECT    3    1    1    4   28                                       
CONECT    4    3   12   12   29                                       
CONECT    5   19    8   30   31                                       
CONECT    6   27   21   17   32                                       
CONECT    7    1   33                                                 
CONECT    8    5   34                                                 
CONECT    9   17   35                                                 
CONECT   10   15   23   26   26                                       
CONECT   11   12   15   36   37                                       
CONECT   12    4    4   13   11                                       
CONECT   13   14   14   12   38                                       
CONECT   14    1   13   13   39                                       
CONECT   15   11   10   40                                            
CONECT   16   22   24   21                                            
CONECT   17    6   19    9   41                                       
CONECT   18   22   22   23                                            
CONECT   19   17    2    5   42                                       
CONECT   20   24   25   25                                            
CONECT   21   16    6    2   43                                       
CONECT   22   18   18   16   44                                       
CONECT   23   18   10   24   24                                       
CONECT   24   23   23   16   20                                       
CONECT   25   26   20   20   45                                       
CONECT   26   10   10   25                                            
CONECT   27    6   46                                                 
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   17                                                      
CONECT   42   19                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   25                                                      
CONECT   46   27                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
