COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.888  -1.196  -0.051  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.676  -0.325   1.045  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.807   0.700   0.911  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.206   1.992  -0.421  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.828   1.538  -0.013  1.00  0.00           C  
HETATM    6  C   UNL     1       0.150   1.082  -0.830  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.149   0.880  -0.275  1.00  0.00           N  
HETATM    8  N   UNL     1      -4.220  -0.985  -1.203  1.00  0.00           N  
HETATM    9  O   UNL     1      -2.765   0.223  -2.355  1.00  0.00           O  
HETATM   10  C   UNL     1      -3.360   0.045  -1.309  1.00  0.00           C  
HETATM   11  O   UNL     1      -5.663  -2.130   0.048  1.00  0.00           O  
HETATM   12  C   UNL     1      -5.410  -0.538   2.344  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.329   1.513   1.228  1.00  0.00           N  
HETATM   14  N   UNL     1       0.877   1.066   1.183  1.00  0.00           N  
HETATM   15  N   UNL     1       1.204   0.795  -0.032  1.00  0.00           N  
HETATM   16  C1* UNL     1       2.498   0.269  -0.475  1.00  0.00           C  
HETATM   17  O4* UNL     1       2.721  -1.037   0.080  1.00  0.00           O  
HETATM   18  C4* UNL     1       4.107  -1.199   0.407  1.00  0.00           C  
HETATM   19  C5* UNL     1       4.705  -2.339  -0.420  1.00  0.00           C  
HETATM   20  O5* UNL     1       4.110  -3.577  -0.025  1.00  0.00           O  
HETATM   21  C3* UNL     1       4.824   0.126   0.071  1.00  0.00           C  
HETATM   22  O3* UNL     1       5.786   0.453   1.075  1.00  0.00           O  
HETATM   23  C2* UNL     1       3.651   1.145   0.075  1.00  0.00           C  
HETATM   24  O2* UNL     1       3.922   2.246  -0.795  1.00  0.00           O  
HETATM   25  H   UNL     1      -3.632   1.375   1.735  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.520   2.820   0.214  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.188   2.319  -1.461  1.00  0.00           H  
HETATM   28  H   UNL     1       0.098   0.969  -1.902  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.360  -1.577  -1.958  1.00  0.00           H  
HETATM   30  H   UNL     1      -6.350   0.014   2.325  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.615  -1.600   2.475  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.796  -0.182   3.171  1.00  0.00           H  
HETATM   33  H1* UNL     1       2.537   0.229  -1.563  1.00  0.00           H  
HETATM   34  H4* UNL     1       4.213  -1.418   1.469  1.00  0.00           H  
HETATM   35 H5*1 UNL     1       4.508  -2.163  -1.478  1.00  0.00           H  
HETATM   36 H5*2 UNL     1       5.781  -2.383  -0.253  1.00  0.00           H  
HETATM   37  H5* UNL     1       4.443  -4.345  -0.509  1.00  0.00           H  
HETATM   38  H3* UNL     1       5.293   0.075  -0.912  1.00  0.00           H  
HETATM   39  H3* UNL     1       6.263   1.278   0.910  1.00  0.00           H  
HETATM   40  H2* UNL     1       3.435   1.490   1.086  1.00  0.00           H  
HETATM   41  H2* UNL     1       4.637   2.821  -0.491  1.00  0.00           H  
CONECT    1    2   11   11    8                                       
CONECT    2   12    3    3    1                                       
CONECT    3    2    2    7   25                                       
CONECT    4    5    7   26   27                                       
CONECT    5    6    6    4   13                                       
CONECT    6   15    5    5   28                                       
CONECT    7    3    4   10                                            
CONECT    8    1   10   29                                            
CONECT    9   10   10                                                 
CONECT   10    7    8    9    9                                       
CONECT   11    1    1                                                 
CONECT   12    2   30   31   32                                       
CONECT   13    5   14   14                                            
CONECT   14   15   13   13                                            
CONECT   15   16    6   14                                            
CONECT   16   23   17   15   33                                       
CONECT   17   16   18                                                 
CONECT   18   19   17   21   34                                       
CONECT   19   20   18   35   36                                       
CONECT   20   19   37                                                 
CONECT   21   23   18   22   38                                       
CONECT   22   21   39                                                 
CONECT   23   24   16   21   40                                       
CONECT   24   23   41                                                 
CONECT   25    3                                                      
CONECT   26    4                                                      
CONECT   27    4                                                      
CONECT   28    6                                                      
CONECT   29    8                                                      
CONECT   30   12                                                      
CONECT   31   12                                                      
CONECT   32   12                                                      
CONECT   33   16                                                      
CONECT   34   18                                                      
CONECT   35   19                                                      
CONECT   36   19                                                      
CONECT   37   20                                                      
CONECT   38   21                                                      
CONECT   39   22                                                      
CONECT   40   23                                                      
CONECT   41   24                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
