COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.455   2.721  -0.318  1.00  0.00           C  
HETATM    2  O   UNL     1       5.700   2.666  -0.843  1.00  0.00           O  
HETATM    3  C   UNL     1       3.685  -2.013  -0.849  1.00  0.00           C  
HETATM    4  N   UNL     1       1.908   2.912   0.759  1.00  0.00           N  
HETATM    5  C   UNL     1       2.857  -3.076  -0.697  1.00  0.00           C  
HETATM    6  C   UNL     1       1.576  -2.936  -0.142  1.00  0.00           C  
HETATM    7  C   UNL     1       1.105  -1.711   0.273  1.00  0.00           C  
HETATM    8  C   UNL     1       2.290   1.678   0.391  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.954  -4.174   0.083  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.577  -5.183   1.183  1.00  0.00           C  
HETATM   11  N   UNL     1       3.936   3.865   0.097  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.036  -5.272   1.190  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.848   1.066  -0.023  1.00  0.00           C  
HETATM   14  N   UNL     1       0.765  -4.059  -0.009  1.00  0.00           N  
HETATM   15  O   UNL     1      -7.194   2.023   0.697  1.00  0.00           O  
HETATM   16  C   UNL     1       0.153   0.784   1.100  1.00  0.00           C  
HETATM   17  C   UNL     1       2.714   3.940   0.610  1.00  0.00           C  
HETATM   18  O   UNL     1      -8.072   2.379  -1.299  1.00  0.00           O  
HETATM   19  O   UNL     1       2.269   5.155   1.007  1.00  0.00           O  
HETATM   20  C   UNL     1      -2.248   1.231   0.571  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.248   1.514  -0.552  1.00  0.00           C  
HETATM   22  C   UNL     1       3.628   1.516  -0.191  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.648   1.678   0.042  1.00  0.00           C  
HETATM   24  C   UNL     1       3.260  -0.729  -0.443  1.00  0.00           C  
HETATM   25  N   UNL     1       4.054   0.329  -0.581  1.00  0.00           N  
HETATM   26  C   UNL     1      -5.649   1.961  -1.081  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.028   2.123  -0.496  1.00  0.00           C  
HETATM   28  C   UNL     1       3.324  -4.440  -1.135  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.575  -3.930   0.569  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.629  -3.687  -0.540  1.00  0.00           C  
HETATM   31  C   UNL     1       1.921  -0.574   0.139  1.00  0.00           C  
HETATM   32  N   UNL     1       1.493   0.626   0.532  1.00  0.00           N1+
HETATM   33  H   UNL     1       5.728   2.794  -1.801  1.00  0.00           H  
HETATM   34  H   UNL     1       4.666  -2.148  -1.279  1.00  0.00           H  
HETATM   35  H   UNL     1       0.116  -1.624   0.697  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.566  -4.661  -0.675  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.495  -3.334   0.517  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.934  -4.831   2.151  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.007  -6.159   0.959  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.664  -5.368   2.210  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.701  -6.112   0.582  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.563   1.982  -0.541  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.847   0.235  -0.727  1.00  0.00           H  
HETATM   44  H   UNL     1       1.087  -4.927  -0.298  1.00  0.00           H  
HETATM   45  H   UNL     1       0.152   1.615   1.805  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.132  -0.132   1.618  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.937   2.475  -0.878  1.00  0.00           H  
HETATM   48  H   UNL     1       2.469   5.365   1.929  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.533   0.315   1.090  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.248   2.063   1.276  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.963   2.429  -1.070  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.248   0.682  -1.256  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.933   0.763   0.561  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.649   2.510   0.747  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.364   2.876  -1.599  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.648   1.129  -1.785  1.00  0.00           H  
HETATM   57  H   UNL     1       3.824  -4.937  -0.304  1.00  0.00           H  
HETATM   58  H   UNL     1       2.466  -5.034  -1.450  1.00  0.00           H  
HETATM   59  H   UNL     1       4.019  -4.336  -1.968  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.600  -3.132   1.311  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.389  -4.269  -1.429  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.690  -2.626  -0.782  1.00  0.00           H  
CONECT    1   11   11   22    2                                       
CONECT    2    1   33                                                 
CONECT    3   24   24    5   34                                       
CONECT    4   17   17    8                                            
CONECT    5    6    6    3   28                                       
CONECT    6    7   14    5    5                                       
CONECT    7   31   31    6   35                                       
CONECT    8    4   32   32   22                                       
CONECT    9   30   10   36   37                                       
CONECT   10    9   12   38   39                                       
CONECT   11   17    1    1                                            
CONECT   12   29   10   40   41                                       
CONECT   13   20   16   42   43                                       
CONECT   14   29    6   44                                            
CONECT   15   27   27                                                 
CONECT   16   13   32   45   46                                       
CONECT   17   19    4    4   11                                       
CONECT   18   27   47                                                 
CONECT   19   17   48                                                 
CONECT   20   21   13   49   50                                       
CONECT   21   23   20   51   52                                       
CONECT   22    8    1   25   25                                       
CONECT   23   26   21   53   54                                       
CONECT   24   31   25    3    3                                       
CONECT   25   22   22   24                                            
CONECT   26   27   23   55   56                                       
CONECT   27   15   15   26   18                                       
CONECT   28    5   57   58   59                                       
CONECT   29   30   12   14   60                                       
CONECT   30    9   29   61   62                                       
CONECT   31   32    7    7   24                                       
CONECT   32   16    8    8   31                                       
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    7                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   10                                                      
CONECT   40   12                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   16                                                      
CONECT   46   16                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   20                                                      
CONECT   51   21                                                      
CONECT   52   21                                                      
CONECT   53   23                                                      
CONECT   54   23                                                      
CONECT   55   26                                                      
CONECT   56   26                                                      
CONECT   57   28                                                      
CONECT   58   28                                                      
CONECT   59   28                                                      
CONECT   60   29                                                      
CONECT   61   30                                                      
CONECT   62   30                                                      
MASTER        0    0    0    0    0    0    0    0   62    0   62    0
END
