COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.731   0.086   0.414  1.00  0.00           N  
HETATM    2  C   UNL     1       1.908  -0.899   0.005  1.00  0.00           C  
HETATM    3  C   UNL     1       4.109  -0.043   0.225  1.00  0.00           C  
HETATM    4  C   UNL     1       0.018   0.351   0.790  1.00  0.00           C  
HETATM    5  C   UNL     1       0.904   1.361   1.193  1.00  0.00           C  
HETATM    6  C   UNL     1       2.234   1.209   1.004  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.263  -4.986  -0.198  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.054   3.982  -0.154  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.859   2.358   0.041  1.00  0.00           C  
HETATM   10  C   UNL     1       0.514  -0.775   0.192  1.00  0.00           C  
HETATM   11  C   UNL     1       4.773   0.814  -0.646  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.582  -2.717  -0.175  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.728  -1.604  -0.171  1.00  0.00           C  
HETATM   14  N   UNL     1      -2.216  -0.385  -0.112  1.00  0.00           N  
HETATM   15  N   UNL     1      -3.595  -0.165  -0.053  1.00  0.00           N  
HETATM   16  C   UNL     1      -4.461  -1.217  -0.055  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.947  -2.534  -0.117  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.351  -1.793  -0.229  1.00  0.00           N  
HETATM   19  C   UNL     1      -4.353   0.982   0.014  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.680   0.575   0.051  1.00  0.00           C  
HETATM   21  N   UNL     1      -5.705  -0.746   0.008  1.00  0.00           N  
HETATM   22  N   UNL     1      -4.807  -3.627  -0.127  1.00  0.00           N  
HETATM   23  O   UNL     1       2.366  -1.897  -0.527  1.00  0.00           O  
HETATM   24  N   UNL     1      -2.540   2.602  -0.086  1.00  0.00           N  
HETATM   25  O   UNL     1      -4.639   3.282   0.180  1.00  0.00           O  
HETATM   26  C   UNL     1      -0.585   4.232   0.193  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.054   4.326  -1.261  1.00  0.00           C  
HETATM   28  C   UNL     1       6.132   0.689  -0.834  1.00  0.00           C  
HETATM   29  C   UNL     1       6.843  -0.299  -0.149  1.00  0.00           C  
HETATM   30  C   UNL     1       6.173  -1.158   0.725  1.00  0.00           C  
HETATM   31  C   UNL     1       4.815  -1.025   0.913  1.00  0.00           C  
HETATM   32  C   UNL     1       8.256  -0.432  -0.343  1.00  0.00           C  
HETATM   33  N   UNL     1       9.377  -0.537  -0.496  1.00  0.00           N  
HETATM   34  H   UNL     1      -1.046   0.465   0.943  1.00  0.00           H  
HETATM   35  H   UNL     1       0.525   2.255   1.666  1.00  0.00           H  
HETATM   36  H   UNL     1       2.911   1.987   1.324  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.685  -5.098  -1.115  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.619  -5.165   0.662  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.082  -5.705  -0.195  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.775   4.749   0.128  1.00  0.00           H  
HETATM   41  H   UNL     1       4.223   1.577  -1.176  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.171  -3.715  -0.228  1.00  0.00           H  
HETATM   43  H   UNL     1       0.011  -2.629  -0.562  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.541   1.224   0.105  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.766  -3.490  -0.086  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.912   1.864  -0.133  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.340   5.163   0.704  1.00  0.00           H  
HETATM   48  H   UNL     1       0.020   3.369   0.472  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.758   3.525  -1.938  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.118   5.319  -1.706  1.00  0.00           H  
HETATM   51  H   UNL     1       6.647   1.355  -1.511  1.00  0.00           H  
HETATM   52  H   UNL     1       6.719  -1.924   1.257  1.00  0.00           H  
HETATM   53  H   UNL     1       4.296  -1.688   1.589  1.00  0.00           H  
CONECT    1    3    6    2                                            
CONECT    2    1   23   23   10                                       
CONECT    3   31   31   11    1                                       
CONECT    4    5   10   10   34                                       
CONECT    5    6    6    4   35                                       
CONECT    6    1    5    5   36                                       
CONECT    7   22   37   38   39                                       
CONECT    8   26   27   24   40                                       
CONECT    9   24   25   25   19                                       
CONECT   10    2    4    4   18                                       
CONECT   11   28   28    3   41                                       
CONECT   12   13   17   17   42                                       
CONECT   13   18   14   14   12                                       
CONECT   14   13   13   15                                            
CONECT   15   14   19   16                                            
CONECT   16   15   17   21   21                                       
CONECT   17   12   12   16   22                                       
CONECT   18   10   13   43                                            
CONECT   19    9   15   20   20                                       
CONECT   20   19   19   21   44                                       
CONECT   21   16   16   20                                            
CONECT   22   17    7   45                                            
CONECT   23    2    2                                                 
CONECT   24    8    9   46                                            
CONECT   25    9    9                                                 
CONECT   26   27    8   47   48                                       
CONECT   27   26    8   49   50                                       
CONECT   28   29   11   11   51                                       
CONECT   29   32   30   30   28                                       
CONECT   30   29   29   31   52                                       
CONECT   31   30    3    3   53                                       
CONECT   32   33   33   33   29                                       
CONECT   33   32   32   32                                            
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    7                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   18                                                      
CONECT   44   20                                                      
CONECT   45   22                                                      
CONECT   46   24                                                      
CONECT   47   26                                                      
CONECT   48   26                                                      
CONECT   49   27                                                      
CONECT   50   27                                                      
CONECT   51   28                                                      
CONECT   52   30                                                      
CONECT   53   31                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
