COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.919   2.011  -0.030  1.00  0.00           N  
HETATM    2  C   UNL     1       2.585   0.673  -0.034  1.00  0.00           C  
HETATM    3  C   UNL     1       1.296   0.140  -0.093  1.00  0.00           C  
HETATM    4  C   UNL     1       1.433  -1.270  -0.077  1.00  0.00           C  
HETATM    5  N   UNL     1       2.702  -1.556  -0.004  1.00  0.00           N  
HETATM    6  N   UNL     1       3.442  -0.369   0.025  1.00  0.00           N  
HETATM    7  C   UNL     1       4.839  -0.277   0.100  1.00  0.00           C  
HETATM    8  C   UNL     1       5.515   0.679  -0.647  1.00  0.00           C  
HETATM    9  C   UNL     1       6.890   0.771  -0.566  1.00  0.00           C  
HETATM   10  C   UNL     1       7.597  -0.095   0.251  1.00  0.00           C  
HETATM   11  F   UNL     1       8.943  -0.007   0.324  1.00  0.00           F  
HETATM   12  C   UNL     1       6.926  -1.054   0.992  1.00  0.00           C  
HETATM   13  C   UNL     1       5.550  -1.146   0.918  1.00  0.00           C  
HETATM   14  C   UNL     1       0.042   0.894  -0.169  1.00  0.00           C  
HETATM   15  O   UNL     1       0.054   2.107  -0.067  1.00  0.00           O  
HETATM   16  C   UNL     1      -1.239   0.182  -0.368  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.264  -1.040  -1.044  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.460  -1.702  -1.228  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.637  -1.159  -0.745  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.622   0.055  -0.072  1.00  0.00           C  
HETATM   21  O   UNL     1      -4.782   0.583   0.400  1.00  0.00           O  
HETATM   22  C   UNL     1      -5.824  -0.331   0.053  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.164   0.207   0.558  1.00  0.00           C  
HETATM   24  O   UNL     1      -7.480   1.420  -0.128  1.00  0.00           O  
HETATM   25  C   UNL     1      -8.261  -0.827   0.297  1.00  0.00           C  
HETATM   26  O   UNL     1      -9.488  -0.376   0.872  1.00  0.00           O  
HETATM   27  C   UNL     1      -2.426   0.725   0.123  1.00  0.00           C  
HETATM   28  H   UNL     1       3.850   2.278   0.019  1.00  0.00           H  
HETATM   29  H   UNL     1       2.222   2.685  -0.079  1.00  0.00           H  
HETATM   30  H   UNL     1       0.624  -1.984  -0.114  1.00  0.00           H  
HETATM   31  H   UNL     1       4.964   1.354  -1.284  1.00  0.00           H  
HETATM   32  H   UNL     1       7.416   1.518  -1.144  1.00  0.00           H  
HETATM   33  H   UNL     1       7.479  -1.729   1.628  1.00  0.00           H  
HETATM   34  H   UNL     1       5.027  -1.893   1.497  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.346  -1.466  -1.423  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.477  -2.646  -1.751  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.570  -1.682  -0.892  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.863  -0.442  -1.031  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.626  -1.300   0.511  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.097   0.403   1.628  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.530   1.203  -1.069  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.389  -0.957  -0.778  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.977  -1.779   0.747  1.00  0.00           H  
HETATM   44  H   UNL     1     -10.151  -1.055   0.685  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.414   1.669   0.647  1.00  0.00           H  
CONECT    1    2   28   29                                            
CONECT    2    1    3    3    6                                       
CONECT    3    2    2    4   14                                       
CONECT    4    3    5    5   30                                       
CONECT    5    4    4    6                                            
CONECT    6    2    5    7                                            
CONECT    7    6    8   13   13                                       
CONECT    8    7    9    9   31                                       
CONECT    9    8    8   10   32                                       
CONECT   10    9   11   12   12                                       
CONECT   11   10                                                      
CONECT   12   10   10   13   33                                       
CONECT   13    7    7   12   34                                       
CONECT   14    3   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   17   27                                       
CONECT   17   16   16   18   35                                       
CONECT   18   17   19   19   36                                       
CONECT   19   18   18   20   37                                       
CONECT   20   19   21   27   27                                       
CONECT   21   20   22                                                 
CONECT   22   21   23   38   39                                       
CONECT   23   22   24   25   40                                       
CONECT   24   23   41                                                 
CONECT   25   23   26   42   43                                       
CONECT   26   25   44                                                 
CONECT   27   16   20   20   45                                       
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    4                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   17                                                      
CONECT   36   18                                                      
CONECT   37   19                                                      
CONECT   38   22                                                      
CONECT   39   22                                                      
CONECT   40   23                                                      
CONECT   41   24                                                      
CONECT   42   25                                                      
CONECT   43   25                                                      
CONECT   44   26                                                      
CONECT   45   27                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
