COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       9.012  -1.649   0.899  1.00  0.00           C  
HETATM    2  C   UNL     1      10.291  -0.815   0.985  1.00  0.00           C  
HETATM    3  C   UNL     1       7.819  -0.733   0.809  1.00  0.00           C  
HETATM    4  C   UNL     1       1.643   1.086  -1.171  1.00  0.00           C  
HETATM    5  C   UNL     1       1.172   0.636   0.055  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.132   0.197   0.175  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.971   0.205  -0.930  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.501   0.655  -2.156  1.00  0.00           C  
HETATM    9  C   UNL     1       0.803   1.095  -2.276  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.150   0.594  -0.218  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.473   0.167   0.028  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.919  -1.113  -0.326  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.210  -1.473  -0.065  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.365   1.075   0.654  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.677   2.639   0.721  1.00  0.00           C  
HETATM   16  C   UNL     1      -9.225  -0.003   1.435  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.699  -3.583  -1.036  1.00  0.00           C  
HETATM   18  O   UNL     1       3.677   0.069   0.211  1.00  0.00           O  
HETATM   19  C   UNL     1       3.946   0.941  -0.587  1.00  0.00           C  
HETATM   20  C   UNL     1       5.380   1.358  -0.793  1.00  0.00           C  
HETATM   21  N   UNL     1       6.248   0.567   0.082  1.00  0.00           N  
HETATM   22  C   UNL     1       7.308  -0.175  -0.314  1.00  0.00           C  
HETATM   23  N   UNL     1       6.132   0.455   1.359  1.00  0.00           N  
HETATM   24  N   UNL     1       7.053  -0.315   1.823  1.00  0.00           N  
HETATM   25  C   UNL     1       9.066  -2.539  -0.345  1.00  0.00           C  
HETATM   26  N   UNL     1       2.964   1.538  -1.291  1.00  0.00           N  
HETATM   27  O   UNL     1      -2.254  -0.228  -0.812  1.00  0.00           O  
HETATM   28  N   UNL     1      -2.810   1.823   0.143  1.00  0.00           N  
HETATM   29  N   UNL     1      -4.915   2.295   0.984  1.00  0.00           N  
HETATM   30  C   UNL     1      -6.683   0.678   0.910  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.093  -0.576   0.554  1.00  0.00           C  
HETATM   32  O   UNL     1      -8.372  -0.960   0.803  1.00  0.00           O  
HETATM   33  O   UNL     1      -6.645  -2.715  -0.409  1.00  0.00           O  
HETATM   34  H   UNL     1       8.924  -2.273   1.788  1.00  0.00           H  
HETATM   35  H   UNL     1      10.252  -0.181   1.871  1.00  0.00           H  
HETATM   36  H   UNL     1      11.154  -1.478   1.050  1.00  0.00           H  
HETATM   37  H   UNL     1      10.378  -0.191   0.096  1.00  0.00           H  
HETATM   38  H   UNL     1       1.825   0.628   0.915  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.498  -0.154   1.128  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.154   0.662  -3.016  1.00  0.00           H  
HETATM   41  H   UNL     1       1.168   1.446  -3.230  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.246  -1.811  -0.804  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.346   3.629   1.000  1.00  0.00           H  
HETATM   44  H   UNL     1     -10.215  -0.435   1.576  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.807   0.271   2.404  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.302   0.886   0.808  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.173  -4.539  -1.258  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.348  -3.128  -1.963  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.853  -3.743  -0.368  1.00  0.00           H  
HETATM   50  H   UNL     1       5.661   1.190  -1.832  1.00  0.00           H  
HETATM   51  H   UNL     1       5.489   2.415  -0.553  1.00  0.00           H  
HETATM   52  H   UNL     1       7.674  -0.298  -1.323  1.00  0.00           H  
HETATM   53  H   UNL     1       9.153  -1.915  -1.234  1.00  0.00           H  
HETATM   54  H   UNL     1       9.929  -3.202  -0.280  1.00  0.00           H  
HETATM   55  H   UNL     1       8.155  -3.134  -0.407  1.00  0.00           H  
HETATM   56  H   UNL     1       3.171   2.279  -1.881  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.373   1.360   1.386  1.00  0.00           H  
CONECT    1   25    3    2   34                                       
CONECT    2    1   35   36   37                                       
CONECT    3    1   24   22   22                                       
CONECT    4   26    9    9    5                                       
CONECT    5    4    6    6   38                                       
CONECT    6    5    5    7   39                                       
CONECT    7    8    8    6   27                                       
CONECT    8    9    7    7   40                                       
CONECT    9    4    4    8   41                                       
CONECT   10   28   27   11   11                                       
CONECT   11   10   10   14   12                                       
CONECT   12   11   13   13   42                                       
CONECT   13   12   12   31   33                                       
CONECT   14   29   29   11   30                                       
CONECT   15   28   28   29   43                                       
CONECT   16   32   44   45   46                                       
CONECT   17   33   47   48   49                                       
CONECT   18   19   19                                                 
CONECT   19   20   26   18   18                                       
CONECT   20   21   19   50   51                                       
CONECT   21   22   23   20                                            
CONECT   22    3    3   21   52                                       
CONECT   23   24   24   21                                            
CONECT   24    3   23   23                                            
CONECT   25    1   53   54   55                                       
CONECT   26   19    4   56                                            
CONECT   27    7   10                                                 
CONECT   28   15   15   10                                            
CONECT   29   15   14   14                                            
CONECT   30   14   31   31   57                                       
CONECT   31   30   30   13   32                                       
CONECT   32   31   16                                                 
CONECT   33   13   17                                                 
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    2                                                      
CONECT   37    2                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42   12                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   16                                                      
CONECT   46   16                                                      
CONECT   47   17                                                      
CONECT   48   17                                                      
CONECT   49   17                                                      
CONECT   50   20                                                      
CONECT   51   20                                                      
CONECT   52   22                                                      
CONECT   53   25                                                      
CONECT   54   25                                                      
CONECT   55   25                                                      
CONECT   56   26                                                      
CONECT   57   30                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
