COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.963   0.135   0.273  1.00  0.00           N  
HETATM    2  C3* UNL     1       6.460  -0.007  -0.917  1.00  0.00           C  
HETATM    3  O3* UNL     1       7.307  -1.096  -0.544  1.00  0.00           O  
HETATM    4  C2* UNL     1       4.988  -0.476  -1.020  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.850  -1.228   0.288  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.088  -0.349   0.100  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.347  -1.214   0.196  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.566  -0.348   0.012  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.083  -0.144  -1.254  1.00  0.00           C  
HETATM   10  C   UNL     1      -8.201   0.650  -1.426  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.805   1.242  -0.326  1.00  0.00           C  
HETATM   12  C   UNL     1      -8.285   1.036   0.943  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.170   0.237   1.110  1.00  0.00           C  
HETATM   14  C4* UNL     1       6.438   1.062   0.192  1.00  0.00           C  
HETATM   15  C5* UNL     1       6.956   2.393  -0.358  1.00  0.00           C  
HETATM   16  C1* UNL     1       4.414  -0.051   0.355  1.00  0.00           C  
HETATM   17  C   UNL     1       2.312   1.312   0.052  1.00  0.00           C  
HETATM   18  C   UNL     1       0.771  -0.200   0.249  1.00  0.00           C  
HETATM   19  C   UNL     1       2.011  -0.844   0.399  1.00  0.00           C  
HETATM   20  C   UNL     1       0.917  -2.845   0.687  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.396  -0.979   0.335  1.00  0.00           C  
HETATM   22  N   UNL     1       1.026   1.113   0.035  1.00  0.00           N  
HETATM   23  N   UNL     1       2.036  -2.155   0.614  1.00  0.00           N  
HETATM   24  N   UNL     1      -0.271  -2.284   0.553  1.00  0.00           N  
HETATM   25  N   UNL     1      -1.645  -0.400   0.196  1.00  0.00           N  
HETATM   26  O2* UNL     1       4.915  -1.894  -1.187  1.00  0.00           O  
HETATM   27  O5* UNL     1       7.042   3.346   0.703  1.00  0.00           O  
HETATM   28  O4* UNL     1       5.074   1.206   0.621  1.00  0.00           O  
HETATM   29  O   UNL     1      -9.905   2.023  -0.493  1.00  0.00           O  
HETATM   30  H3* UNL     1       6.792   0.428  -1.860  1.00  0.00           H  
HETATM   31  H3* UNL     1       8.231  -0.847  -0.408  1.00  0.00           H  
HETATM   32  H2* UNL     1       4.473   0.037  -1.833  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.889  -1.706   1.266  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.826  -1.992  -0.489  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.112   0.415   0.877  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.050   0.129  -0.878  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.323  -1.978  -0.581  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.385  -1.692   1.175  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.612  -0.604  -2.110  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.604   0.809  -2.415  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.754   1.495   1.800  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.765   0.076   2.098  1.00  0.00           H  
HETATM   43  H4* UNL     1       7.058   0.741   1.030  1.00  0.00           H  
HETATM   44 H5*1 UNL     1       7.944   2.245  -0.795  1.00  0.00           H  
HETATM   45 H5*2 UNL     1       6.272   2.761  -1.122  1.00  0.00           H  
HETATM   46  H1* UNL     1       4.663  -0.787   1.119  1.00  0.00           H  
HETATM   47  H   UNL     1       2.793   2.269  -0.088  1.00  0.00           H  
HETATM   48  H   UNL     1       0.972  -3.909   0.862  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.723   0.554   0.038  1.00  0.00           H  
HETATM   50  H2* UNL     1       5.263  -2.208  -2.033  1.00  0.00           H  
HETATM   51  H5* UNL     1       7.364   4.215   0.427  1.00  0.00           H  
HETATM   52  H   UNL     1     -10.741   1.540  -0.444  1.00  0.00           H  
CONECT    1   17   19   16                                            
CONECT    2    4   14    3   30                                       
CONECT    3    2   31                                                 
CONECT    4   26   16    2   32                                       
CONECT    5    6   25   33   34                                       
CONECT    6    7    5   35   36                                       
CONECT    7    8    6   37   38                                       
CONECT    8    9    9   13    7                                       
CONECT    9   10    8    8   39                                       
CONECT   10   11   11    9   40                                       
CONECT   11   29   10   10   12                                       
CONECT   12   11   13   13   41                                       
CONECT   13   12   12    8   42                                       
CONECT   14    2   28   15   43                                       
CONECT   15   27   14   44   45                                       
CONECT   16    1    4   28   46                                       
CONECT   17   22   22    1   47                                       
CONECT   18   22   21   21   19                                       
CONECT   19   18    1   23   23                                       
CONECT   20   24   24   23   48                                       
CONECT   21   25   18   18   24                                       
CONECT   22   17   17   18                                            
CONECT   23   19   19   20                                            
CONECT   24   21   20   20                                            
CONECT   25    5   21   49                                            
CONECT   26    4   50                                                 
CONECT   27   15   51                                                 
CONECT   28   16   14                                                 
CONECT   29   11   52                                                 
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    7                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   15                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   17                                                      
CONECT   48   20                                                      
CONECT   49   25                                                      
CONECT   50   26                                                      
CONECT   51   27                                                      
CONECT   52   29                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
