COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.591  -0.609  -0.874  1.00  0.00           C  
HETATM    2  C   UNL     1       2.288  -0.178   0.390  1.00  0.00           C  
HETATM    3  O   UNL     1       1.796  -0.430   1.470  1.00  0.00           O  
HETATM    4  C   UNL     1       5.963   1.906   0.175  1.00  0.00           C  
HETATM    5  C   UNL     1       5.399   1.619   1.416  1.00  0.00           C  
HETATM    6  C   UNL     1       4.213   0.946   1.490  1.00  0.00           C  
HETATM    7  C   UNL     1       5.320   1.510  -0.996  1.00  0.00           C  
HETATM    8  C   UNL     1       4.133   0.837  -0.931  1.00  0.00           C  
HETATM    9  C   UNL     1       3.563   0.545   0.315  1.00  0.00           C  
HETATM   10  N   UNL     1       7.167   2.595   0.104  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.885  -0.736  -0.371  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.156  -2.869  -0.022  1.00  0.00           C  
HETATM   13  N   UNL     1       0.349  -1.306  -0.534  1.00  0.00           N  
HETATM   14  C   UNL     1       0.204  -2.662  -0.318  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.612  -4.164   0.247  1.00  0.00           C  
HETATM   16  C   UNL     1       1.077  -3.740  -0.340  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.737  -5.212   0.220  1.00  0.00           C  
HETATM   18  C   UNL     1       0.605  -5.008  -0.071  1.00  0.00           C  
HETATM   19  N   UNL     1      -1.764  -1.660  -0.070  1.00  0.00           N  
HETATM   20  C   UNL     1      -7.286   1.809   0.572  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.475   1.409  -0.344  1.00  0.00           C  
HETATM   22  N   UNL     1      -2.151   2.660  -0.571  1.00  0.00           N  
HETATM   23  C   UNL     1      -1.180   0.707  -0.507  1.00  0.00           C  
HETATM   24  N   UNL     1      -0.358   1.691  -0.803  1.00  0.00           N  
HETATM   25  N   UNL     1      -8.189   2.491   0.665  1.00  0.00           N  
HETATM   26  O   UNL     1      -0.971   2.733  -0.818  1.00  0.00           O  
HETATM   27  N   UNL     1      -3.717   0.877  -0.025  1.00  0.00           N  
HETATM   28  C   UNL     1      -4.882   1.757   0.095  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.115   0.924   0.452  1.00  0.00           C  
HETATM   30  H   UNL     1       1.360   0.269  -1.479  1.00  0.00           H  
HETATM   31  H   UNL     1       2.241  -1.278  -1.438  1.00  0.00           H  
HETATM   32  H   UNL     1       5.901   1.928   2.321  1.00  0.00           H  
HETATM   33  H   UNL     1       3.777   0.723   2.453  1.00  0.00           H  
HETATM   34  H   UNL     1       5.760   1.735  -1.956  1.00  0.00           H  
HETATM   35  H   UNL     1       3.635   0.529  -1.839  1.00  0.00           H  
HETATM   36  H   UNL     1       7.558   2.800  -0.760  1.00  0.00           H  
HETATM   37  H   UNL     1       7.616   2.872   0.918  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.654  -4.335   0.474  1.00  0.00           H  
HETATM   39  H   UNL     1       2.122  -3.588  -0.566  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.092  -6.211   0.428  1.00  0.00           H  
HETATM   41  H   UNL     1       1.284  -5.848  -0.088  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.813  -0.078   0.119  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.702   2.493   0.878  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.050   2.268  -0.853  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.947   0.413   1.399  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.296   0.188  -0.332  1.00  0.00           H  
CONECT    1    2   13   30   31                                       
CONECT    2    9    3    3    1                                       
CONECT    3    2    2                                                 
CONECT    4   10    7    7    5                                       
CONECT    5    4    6    6   32                                       
CONECT    6    5    5    9   33                                       
CONECT    7    4    4    8   34                                       
CONECT    8    7    9    9   35                                       
CONECT    9    8    8    6    2                                       
CONECT   10    4   36   37                                            
CONECT   11   23   13   19   19                                       
CONECT   12   14   19   15   15                                       
CONECT   13    1   11   14                                            
CONECT   14   13   16   16   12                                       
CONECT   15   12   12   17   38                                       
CONECT   16   14   14   18   39                                       
CONECT   17   18   18   15   40                                       
CONECT   18   16   17   17   41                                       
CONECT   19   11   11   12                                            
CONECT   20   29   25   25   25                                       
CONECT   21   22   22   23   27                                       
CONECT   22   26   21   21                                            
CONECT   23   24   24   21   11                                       
CONECT   24   26   23   23                                            
CONECT   25   20   20   20                                            
CONECT   26   24   22                                                 
CONECT   27   21   28   42                                            
CONECT   28   29   27   43   44                                       
CONECT   29   28   20   45   46                                       
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   27                                                      
CONECT   43   28                                                      
CONECT   44   28                                                      
CONECT   45   29                                                      
CONECT   46   29                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
