COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.261  -0.784   0.021  1.00  0.00           C  
HETATM    2  C   UNL     1       5.995   0.326  -0.269  1.00  0.00           C  
HETATM    3  C   UNL     1       7.341  -0.048  -0.302  1.00  0.00           C  
HETATM    4  N   UNL     1      -4.890   0.274   0.361  1.00  0.00           N  
HETATM    5  C   UNL     1       1.035   1.302  -0.072  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.432   1.215   0.068  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.140   0.086   0.359  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.490   0.453   0.396  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.559   1.815   0.119  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.884   2.532   0.075  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.967   1.541  -0.352  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.713  -0.324   0.662  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.135  -0.377   0.776  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.615  -1.313  -0.335  1.00  0.00           C  
HETATM   15  O   UNL     1      -3.668  -1.447   1.128  1.00  0.00           O  
HETATM   16  O   UNL     1      -5.673  -2.374  -0.505  1.00  0.00           O  
HETATM   17  C   UNL     1      -6.029  -3.309  -1.525  1.00  0.00           C  
HETATM   18  N   UNL     1      -1.319   2.263  -0.075  1.00  0.00           N  
HETATM   19  C   UNL     1       1.651   2.525  -0.369  1.00  0.00           C  
HETATM   20  C   UNL     1       3.027   2.558  -0.484  1.00  0.00           C  
HETATM   21  N   UNL     1       3.719   1.442  -0.311  1.00  0.00           N  
HETATM   22  N   UNL     1       1.796   0.220   0.089  1.00  0.00           N  
HETATM   23  C   UNL     1       3.112   0.298  -0.031  1.00  0.00           C  
HETATM   24  N   UNL     1       3.874  -0.846   0.142  1.00  0.00           N  
HETATM   25  N   UNL     1       7.419  -1.328  -0.044  1.00  0.00           N  
HETATM   26  N   UNL     1       6.123  -1.817   0.163  1.00  0.00           N  
HETATM   27  C   UNL     1       5.764  -3.202   0.480  1.00  0.00           C  
HETATM   28  H   UNL     1       5.605   1.318  -0.442  1.00  0.00           H  
HETATM   29  H   UNL     1       8.174   0.608  -0.507  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.736  -0.902   0.530  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.119   2.927   1.064  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.833   3.352  -0.642  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.867   1.350  -1.420  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.944   1.988  -0.168  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.959  -0.952   1.685  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.895   0.381   0.967  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.586  -1.729  -0.065  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.706  -0.754  -1.267  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.987  -3.767  -1.279  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.108  -2.792  -2.481  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.264  -4.083  -1.591  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.077   3.179  -0.283  1.00  0.00           H  
HETATM   43  H   UNL     1       1.063   3.421  -0.505  1.00  0.00           H  
HETATM   44  H   UNL     1       3.534   3.484  -0.712  1.00  0.00           H  
HETATM   45  H   UNL     1       3.443  -1.690   0.348  1.00  0.00           H  
HETATM   46  H   UNL     1       5.592  -3.753  -0.445  1.00  0.00           H  
HETATM   47  H   UNL     1       6.577  -3.670   1.036  1.00  0.00           H  
HETATM   48  H   UNL     1       4.857  -3.213   1.084  1.00  0.00           H  
CONECT    1   24   26    2    2                                       
CONECT    2    1    1    3   28                                       
CONECT    3    2   25   25   29                                       
CONECT    4   12   13   11                                            
CONECT    5   19    6   22   22                                       
CONECT    6    7    7    5   18                                       
CONECT    7    8    6    6   30                                       
CONECT    8    7   12    9    9                                       
CONECT    9    8    8   18   10                                       
CONECT   10   11    9   31   32                                       
CONECT   11    4   10   33   34                                       
CONECT   12   15   15    8    4                                       
CONECT   13   14    4   35   36                                       
CONECT   14   16   13   37   38                                       
CONECT   15   12   12                                                 
CONECT   16   17   14                                                 
CONECT   17   16   39   40   41                                       
CONECT   18    6    9   42                                            
CONECT   19   20   20    5   43                                       
CONECT   20   19   19   21   44                                       
CONECT   21   20   23   23                                            
CONECT   22    5    5   23                                            
CONECT   23   21   21   22   24                                       
CONECT   24   23    1   45                                            
CONECT   25   26    3    3                                            
CONECT   26   27    1   25                                            
CONECT   27   26   46   47   48                                       
CONECT   28    2                                                      
CONECT   29    3                                                      
CONECT   30    7                                                      
CONECT   31   10                                                      
CONECT   32   10                                                      
CONECT   33   11                                                      
CONECT   34   11                                                      
CONECT   35   13                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   14                                                      
CONECT   39   17                                                      
CONECT   40   17                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   24                                                      
CONECT   46   27                                                      
CONECT   47   27                                                      
CONECT   48   27                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
