COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.435  -1.408   0.126  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.448  -1.751  -0.972  1.00  0.00           C  
HETATM    3  O   UNL     1      -6.693  -1.113  -0.679  1.00  0.00           O  
HETATM    4  C   UNL     1      -6.629   0.315  -0.662  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.676   0.764   0.452  1.00  0.00           C  
HETATM    6  N   UNL     1      -4.398   0.054   0.283  1.00  0.00           N  
HETATM    7  C   UNL     1      -3.195   0.743   0.274  1.00  0.00           C  
HETATM    8  N   UNL     1      -3.185   2.061   0.299  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.037   2.747   0.290  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.846   2.120   0.255  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.795   0.749   0.227  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.968   0.035   0.242  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.668  -1.253   0.218  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.346  -1.399   0.193  1.00  0.00           C  
HETATM   15  C   UNL     1       0.395  -2.711   0.160  1.00  0.00           C  
HETATM   16  C   UNL     1       0.227  -0.157   0.190  1.00  0.00           C  
HETATM   17  C   UNL     1       1.676   0.146   0.168  1.00  0.00           C  
HETATM   18  C   UNL     1       2.640  -0.465   0.917  1.00  0.00           C  
HETATM   19  C   UNL     1       2.312   1.115  -0.635  1.00  0.00           C  
HETATM   20  N   UNL     1       3.591   1.084  -0.371  1.00  0.00           N  
HETATM   21  N   UNL     1       3.823   0.102   0.599  1.00  0.00           N  
HETATM   22  C   UNL     1       5.126  -0.252   1.169  1.00  0.00           C  
HETATM   23  C   UNL     1       6.097  -0.604   0.040  1.00  0.00           C  
HETATM   24  C   UNL     1       7.418  -1.092   0.638  1.00  0.00           C  
HETATM   25  O   UNL     1       6.337   0.556  -0.760  1.00  0.00           O  
HETATM   26  C   UNL     1       6.626   0.266  -2.130  1.00  0.00           C  
HETATM   27  H   UNL     1      -4.740  -1.871   1.064  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.447  -1.772  -0.160  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.076  -1.399  -1.934  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.593  -2.831  -1.010  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.261   0.675  -1.623  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.623   0.723  -0.476  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.510   1.839   0.383  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.106   0.520   1.423  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.066   3.827   0.312  1.00  0.00           H  
HETATM   36  H   UNL     1       0.068   2.695   0.248  1.00  0.00           H  
HETATM   37  H   UNL     1       0.556  -3.012  -0.875  1.00  0.00           H  
HETATM   38  H   UNL     1       1.357  -2.597   0.660  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.192  -3.473   0.673  1.00  0.00           H  
HETATM   40  H   UNL     1       2.485  -1.258   1.634  1.00  0.00           H  
HETATM   41  H   UNL     1       1.826   1.769  -1.344  1.00  0.00           H  
HETATM   42  H   UNL     1       5.517   0.594   1.735  1.00  0.00           H  
HETATM   43  H   UNL     1       5.012  -1.110   1.831  1.00  0.00           H  
HETATM   44  H   UNL     1       5.666  -1.390  -0.579  1.00  0.00           H  
HETATM   45  H   UNL     1       7.850  -0.306   1.257  1.00  0.00           H  
HETATM   46  H   UNL     1       7.235  -1.976   1.249  1.00  0.00           H  
HETATM   47  H   UNL     1       8.110  -1.343  -0.166  1.00  0.00           H  
HETATM   48  H   UNL     1       7.518  -0.356  -2.189  1.00  0.00           H  
HETATM   49  H   UNL     1       5.783  -0.263  -2.575  1.00  0.00           H  
HETATM   50  H   UNL     1       6.795   1.198  -2.670  1.00  0.00           H  
CONECT    1    2    6   27   28                                       
CONECT    2    1    3   29   30                                       
CONECT    3    2    4                                                 
CONECT    4    3    5   31   32                                       
CONECT    5    4    6   33   34                                       
CONECT    6    1    5    7                                            
CONECT    7    6    8    8   12                                       
CONECT    8    7    7    9                                            
CONECT    9    8   10   10   35                                       
CONECT   10    9    9   11   36                                       
CONECT   11   10   12   16                                            
CONECT   12    7   11   13   13                                       
CONECT   13   12   12   14                                            
CONECT   14   13   15   16   16                                       
CONECT   15   14   37   38   39                                       
CONECT   16   11   14   14   17                                       
CONECT   17   16   18   18   19                                       
CONECT   18   17   17   21   40                                       
CONECT   19   17   20   20   41                                       
CONECT   20   19   19   21                                            
CONECT   21   18   20   22                                            
CONECT   22   21   23   42   43                                       
CONECT   23   22   24   25   44                                       
CONECT   24   23   45   46   47                                       
CONECT   25   23   26                                                 
CONECT   26   25   48   49   50                                       
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    2                                                      
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   15                                                      
CONECT   38   15                                                      
CONECT   39   15                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   22                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
CONECT   45   24                                                      
CONECT   46   24                                                      
CONECT   47   24                                                      
CONECT   48   26                                                      
CONECT   49   26                                                      
CONECT   50   26                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
