COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.324   0.680  -0.811  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.221  -0.206  -0.195  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.536   0.183   0.121  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.353  -0.733   0.719  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.877  -2.012   1.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -4.651  -2.371   0.705  1.00  0.00           N  
HETATM    7  C   UNL     1      -3.800  -1.523   0.119  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.487  -1.913  -0.196  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.644  -1.028  -0.793  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.061   0.264  -1.105  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.099   1.217  -1.767  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.357   1.953  -0.740  1.00  0.00           N  
HETATM   13  C   UNL     1       0.814   1.580  -0.181  1.00  0.00           C  
HETATM   14  C   UNL     1       1.694   0.419  -0.376  1.00  0.00           C  
HETATM   15  O   UNL     1       1.524  -0.364  -1.291  1.00  0.00           O  
HETATM   16  N   UNL     1      -0.702   3.081  -0.209  1.00  0.00           N  
HETATM   17  N   UNL     1       0.174   3.464   0.660  1.00  0.00           N  
HETATM   18  C   UNL     1       1.142   2.573   0.720  1.00  0.00           C  
HETATM   19  C   UNL     1       2.408   2.513   1.530  1.00  0.00           C  
HETATM   20  C   UNL     1       2.792   1.047   1.739  1.00  0.00           C  
HETATM   21  N   UNL     1       2.705   0.264   0.512  1.00  0.00           N  
HETATM   22  C   UNL     1       3.700  -0.680   0.243  1.00  0.00           C  
HETATM   23  C   UNL     1       4.575  -0.486  -0.819  1.00  0.00           C  
HETATM   24  C   UNL     1       5.557  -1.420  -1.082  1.00  0.00           C  
HETATM   25  C   UNL     1       5.671  -2.548  -0.290  1.00  0.00           C  
HETATM   26  C   UNL     1       4.802  -2.744   0.768  1.00  0.00           C  
HETATM   27  C   UNL     1       3.820  -1.811   1.039  1.00  0.00           C  
HETATM   28  H   UNL     1      -3.635   1.686  -1.054  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.889   1.179  -0.104  1.00  0.00           H  
HETATM   30  H   UNL     1      -7.368  -0.466   0.975  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.534  -2.726   1.474  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.149  -2.913   0.036  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.636  -1.333  -1.032  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.401   0.656  -2.388  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.654   1.920  -2.388  1.00  0.00           H  
HETATM   36  H   UNL     1       3.208   3.027   0.996  1.00  0.00           H  
HETATM   37  H   UNL     1       2.247   2.990   2.497  1.00  0.00           H  
HETATM   38  H   UNL     1       3.813   1.000   2.115  1.00  0.00           H  
HETATM   39  H   UNL     1       2.123   0.610   2.481  1.00  0.00           H  
HETATM   40  H   UNL     1       4.486   0.395  -1.438  1.00  0.00           H  
HETATM   41  H   UNL     1       6.237  -1.270  -1.908  1.00  0.00           H  
HETATM   42  H   UNL     1       6.440  -3.277  -0.498  1.00  0.00           H  
HETATM   43  H   UNL     1       4.892  -3.626   1.384  1.00  0.00           H  
HETATM   44  H   UNL     1       3.145  -1.963   1.868  1.00  0.00           H  
CONECT    1   10    2    2   28                                       
CONECT    2    1    1    3    7                                       
CONECT    3    2    4    4   29                                       
CONECT    4    3    3    5   30                                       
CONECT    5    4    6    6   31                                       
CONECT    6    7    5    5                                            
CONECT    7    2    8    8    6                                       
CONECT    8    9    7    7   32                                       
CONECT    9   10   10    8   33                                       
CONECT   10   11    1    9    9                                       
CONECT   11   12   10   34   35                                       
CONECT   12   11   16   13                                            
CONECT   13   12   18   18   14                                       
CONECT   14   13   15   15   21                                       
CONECT   15   14   14                                                 
CONECT   16   12   17   17                                            
CONECT   17   16   16   18                                            
CONECT   18   17   13   13   19                                       
CONECT   19   18   20   36   37                                       
CONECT   20   19   21   38   39                                       
CONECT   21   14   20   22                                            
CONECT   22   21   27   27   23                                       
CONECT   23   22   24   24   40                                       
CONECT   24   23   23   25   41                                       
CONECT   25   26   26   24   42                                       
CONECT   26   27   25   25   43                                       
CONECT   27   22   22   26   44                                       
CONECT   28    1                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34   11                                                      
CONECT   35   11                                                      
CONECT   36   19                                                      
CONECT   37   19                                                      
CONECT   38   20                                                      
CONECT   39   20                                                      
CONECT   40   23                                                      
CONECT   41   24                                                      
CONECT   42   25                                                      
CONECT   43   26                                                      
CONECT   44   27                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
