COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.589   1.250   0.017  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.694   0.163   0.003  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.520  -2.705   0.251  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.166  -2.581   0.177  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.588  -1.302   0.121  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.421  -0.154   0.143  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.813  -0.325   0.220  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.194  -1.135   0.055  1.00  0.00           C  
HETATM    9  C1* UNL     1       3.772  -0.239  -0.315  1.00  0.00           C  
HETATM   10  C4* UNL     1       4.750  -2.316  -0.367  1.00  0.00           C  
HETATM   11  C5* UNL     1       4.464  -3.819  -0.380  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.282   0.391  -0.066  1.00  0.00           C  
HETATM   13  C   UNL     1       0.288   0.805  -0.191  1.00  0.00           C  
HETATM   14  C   UNL     1       0.968   2.108  -0.246  1.00  0.00           C  
HETATM   15  C   UNL     1       2.344   1.828  -0.298  1.00  0.00           C  
HETATM   16  C   UNL     1       2.763   4.090  -0.361  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.793   3.768  -0.205  1.00  0.00           N  
HETATM   18  C   UNL     1       0.551   3.444  -0.255  1.00  0.00           C  
HETATM   19  O2* UNL     1       5.300   0.576   1.410  1.00  0.00           O  
HETATM   20  C   UNL     1      -8.340  -1.580   0.272  1.00  0.00           C  
HETATM   21  C   UNL     1       1.267  -0.141  -0.213  1.00  0.00           C  
HETATM   22  C2* UNL     1       4.328  -0.428   1.114  1.00  0.00           C  
HETATM   23  C3* UNL     1       4.986  -1.826   1.079  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.124   0.577  -0.122  1.00  0.00           C  
HETATM   25  N   UNL     1       1.479   4.396  -0.313  1.00  0.00           N  
HETATM   26  N   UNL     1       3.199   2.849  -0.353  1.00  0.00           N  
HETATM   27  N   UNL     1      -5.883   1.069   0.084  1.00  0.00           N  
HETATM   28  N   UNL     1       2.489   0.466  -0.276  1.00  0.00           N  
HETATM   29  O3* UNL     1       6.385  -1.727   1.352  1.00  0.00           O  
HETATM   30  O4* UNL     1       3.594  -1.580  -0.822  1.00  0.00           O  
HETATM   31  O5* UNL     1       4.329  -4.266  -1.731  1.00  0.00           O  
HETATM   32  H   UNL     1      -4.198   2.256  -0.023  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.963  -3.689   0.293  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.540  -3.461   0.161  1.00  0.00           H  
HETATM   35  H   UNL     1      -8.464   0.537   0.238  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.531  -1.988   0.045  1.00  0.00           H  
HETATM   37  H1* UNL     1       4.486   0.308  -0.931  1.00  0.00           H  
HETATM   38  H4* UNL     1       5.615  -2.089  -0.990  1.00  0.00           H  
HETATM   39 H5*1 UNL     1       5.288  -4.349   0.097  1.00  0.00           H  
HETATM   40 H5*2 UNL     1       3.541  -4.017   0.162  1.00  0.00           H  
HETATM   41  H   UNL     1       3.485   4.892  -0.407  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.069   4.698  -0.212  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.460   3.065  -0.163  1.00  0.00           H  
HETATM   44  H2* UNL     1       5.682   0.505   2.295  1.00  0.00           H  
HETATM   45  H   UNL     1      -9.411  -1.704   0.332  1.00  0.00           H  
HETATM   46  H   UNL     1       1.102  -1.208  -0.184  1.00  0.00           H  
HETATM   47  H2* UNL     1       3.519  -0.403   1.845  1.00  0.00           H  
HETATM   48  H3* UNL     1       4.505  -2.493   1.794  1.00  0.00           H  
HETATM   49  H3* UNL     1       6.849  -2.576   1.342  1.00  0.00           H  
HETATM   50  H5* UNL     1       4.146  -5.212  -1.816  1.00  0.00           H  
CONECT    1   27   27    2   32                                       
CONECT    2    8    8    1   12                                       
CONECT    3   20   20    4   33                                       
CONECT    4    3    5    5   34                                       
CONECT    5    4    4    6    8                                       
CONECT    6    7    7    5   27                                       
CONECT    7   20    6    6   35                                       
CONECT    8    5    2    2   36                                       
CONECT    9   28   22   30   37                                       
CONECT   10   30   23   11   38                                       
CONECT   11   10   31   39   40                                       
CONECT   12    2   24   24   24                                       
CONECT   13   24   14   21   21                                       
CONECT   14   18   13   15   15                                       
CONECT   15   14   14   26   28                                       
CONECT   16   25   26   26   41                                       
CONECT   17   18   42   43                                            
CONECT   18   17   25   25   14                                       
CONECT   19   22   44                                                 
CONECT   20    3    3    7   45                                       
CONECT   21   13   13   28   46                                       
CONECT   22   19    9   23   47                                       
CONECT   23   22   29   10   48                                       
CONECT   24   12   12   12   13                                       
CONECT   25   18   18   16                                            
CONECT   26   16   16   15                                            
CONECT   27    6    1    1                                            
CONECT   28   15   21    9                                            
CONECT   29   23   49                                                 
CONECT   30    9   10                                                 
CONECT   31   11   50                                                 
CONECT   32    1                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   11                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   23                                                      
CONECT   49   29                                                      
CONECT   50   31                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
