COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.299  -2.961  -1.487  1.00  0.00           O  
HETATM    2  C   UNL     1      -2.503  -2.553  -0.359  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.332  -3.375   0.696  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.929  -1.167  -0.146  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.237  -0.692  -0.103  1.00  0.00           C  
HETATM    6  N   UNL     1      -5.384  -1.445  -0.254  1.00  0.00           N  
HETATM    7  N   UNL     1      -4.181   0.637   0.113  1.00  0.00           N  
HETATM    8  C   UNL     1      -5.341   1.524   0.226  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.217   1.070   1.396  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.866   2.957   0.470  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.153   1.469  -1.070  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.063  -0.002   0.071  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.847   1.041   0.213  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.582  -0.003   0.116  1.00  0.00           C  
HETATM   15  C   UNL     1       0.098  -1.101   0.666  1.00  0.00           C  
HETATM   16  C   UNL     1       1.456  -1.125   0.720  1.00  0.00           C  
HETATM   17  C   UNL     1       2.201  -0.042   0.220  1.00  0.00           C  
HETATM   18  N   UNL     1       3.538  -0.052   0.266  1.00  0.00           N  
HETATM   19  C   UNL     1       4.245   0.956  -0.198  1.00  0.00           C  
HETATM   20  C   UNL     1       3.635   2.084  -0.760  1.00  0.00           C  
HETATM   21  C   UNL     1       2.276   2.153  -0.836  1.00  0.00           C  
HETATM   22  C   UNL     1       1.523   1.070  -0.337  1.00  0.00           C  
HETATM   23  C   UNL     1       0.123   1.076  -0.389  1.00  0.00           C  
HETATM   24  O   UNL     1       5.598   0.901  -0.129  1.00  0.00           O  
HETATM   25  C   UNL     1       6.171  -0.271   0.454  1.00  0.00           C  
HETATM   26  C   UNL     1       6.949  -1.141  -0.548  1.00  0.00           C  
HETATM   27  C   UNL     1       8.186  -0.297  -0.199  1.00  0.00           C  
HETATM   28  C   UNL     1       7.516  -0.016   1.156  1.00  0.00           C  
HETATM   29  H   UNL     1      -2.046  -4.291   0.555  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.494  -3.050   1.595  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.319  -2.401  -0.407  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.254  -1.019  -0.208  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.639   1.109   2.319  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.081   1.730   1.480  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.556   0.049   1.222  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.242   3.280  -0.363  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.730   3.617   0.554  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.288   2.996   1.393  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.492   0.448  -1.244  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.017   2.129  -0.986  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.529   1.792  -1.903  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.465  -1.937   1.053  1.00  0.00           H  
HETATM   43  H   UNL     1       1.963  -1.978   1.147  1.00  0.00           H  
HETATM   44  H   UNL     1       4.240   2.897  -1.133  1.00  0.00           H  
HETATM   45  H   UNL     1       1.789   3.016  -1.266  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.403   1.918  -0.816  1.00  0.00           H  
HETATM   47  H   UNL     1       5.461  -0.832   1.062  1.00  0.00           H  
HETATM   48  H   UNL     1       7.033  -2.185  -0.247  1.00  0.00           H  
HETATM   49  H   UNL     1       6.616  -1.022  -1.579  1.00  0.00           H  
HETATM   50  H   UNL     1       9.104  -0.881  -0.119  1.00  0.00           H  
HETATM   51  H   UNL     1       8.301   0.589  -0.824  1.00  0.00           H  
HETATM   52  H   UNL     1       7.641   1.011   1.500  1.00  0.00           H  
HETATM   53  H   UNL     1       7.755  -0.753   1.923  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    1    1    4                                       
CONECT    3    2   29   30                                            
CONECT    4    2   12    5    5                                       
CONECT    5    4    4    7    6                                       
CONECT    6    5   31   32                                            
CONECT    7   13    5    8                                            
CONECT    8   10    7    9   11                                       
CONECT    9    8   33   34   35                                       
CONECT   10    8   36   37   38                                       
CONECT   11    8   39   40   41                                       
CONECT   12   14    4   13   13                                       
CONECT   13   12   12    7                                            
CONECT   14   23   12   15   15                                       
CONECT   15   14   14   16   42                                       
CONECT   16   17   17   15   43                                       
CONECT   17   22   18   16   16                                       
CONECT   18   19   19   17                                            
CONECT   19   20   24   18   18                                       
CONECT   20   21   21   19   44                                       
CONECT   21   20   20   22   45                                       
CONECT   22   21   23   23   17                                       
CONECT   23   22   22   14   46                                       
CONECT   24   19   25                                                 
CONECT   25   24   26   28   47                                       
CONECT   26   25   27   48   49                                       
CONECT   27   26   28   50   51                                       
CONECT   28   25   27   52   53                                       
CONECT   29    3                                                      
CONECT   30    3                                                      
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33    9                                                      
CONECT   34    9                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   11                                                      
CONECT   41   11                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   23                                                      
CONECT   47   25                                                      
CONECT   48   26                                                      
CONECT   49   26                                                      
CONECT   50   27                                                      
CONECT   51   27                                                      
CONECT   52   28                                                      
CONECT   53   28                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
