COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.806   0.054   3.042  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.080  -0.492   2.182  1.00  0.00           C  
HETATM    3  N   UNL     1       0.143  -0.451   0.835  1.00  0.00           N  
HETATM    4  C   UNL     1       1.272   0.146   0.334  1.00  0.00           C  
HETATM    5  C   UNL     1       2.210   0.722   1.220  1.00  0.00           C  
HETATM    6  C   UNL     1       1.970   0.678   2.563  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.550  -0.902  -0.244  1.00  0.00           C  
HETATM    8  N   UNL     1       0.136  -0.586  -1.313  1.00  0.00           N  
HETATM    9  N   UNL     1       1.214   0.033  -0.982  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.868  -1.633  -0.216  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.096  -0.762  -0.275  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.935  -2.997  -0.906  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.949  -2.911   0.621  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.257   0.135  -1.315  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.383   0.935  -1.370  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.350   0.837  -0.385  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.188  -0.061   0.655  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.064  -0.864   0.706  1.00  0.00           C  
HETATM   19 CL   UNL     1      -6.764   1.841  -0.453  1.00  0.00          Cl  
HETATM   20  O   UNL     1       3.334   1.316   0.741  1.00  0.00           O  
HETATM   21  C   UNL     1       4.208   0.553   0.034  1.00  0.00           C  
HETATM   22  C   UNL     1       5.305   1.141  -0.585  1.00  0.00           C  
HETATM   23  C   UNL     1       6.192   0.361  -1.303  1.00  0.00           C  
HETATM   24  C   UNL     1       5.988  -1.003  -1.406  1.00  0.00           C  
HETATM   25  C   UNL     1       4.898  -1.590  -0.791  1.00  0.00           C  
HETATM   26  C   UNL     1       4.011  -0.816  -0.067  1.00  0.00           C  
HETATM   27  F   UNL     1       5.503   2.474  -0.484  1.00  0.00           F  
HETATM   28  H   UNL     1       0.616   0.014   4.104  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.973  -0.965   2.563  1.00  0.00           H  
HETATM   30  H   UNL     1       2.676   1.113   3.255  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.867  -3.264  -1.404  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.026  -3.365  -1.382  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.049  -3.224   1.151  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.890  -3.122   1.129  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.502   0.212  -2.084  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.509   1.636  -2.182  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.942  -0.138   1.424  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.938  -1.565   1.518  1.00  0.00           H  
HETATM   39  H   UNL     1       7.045   0.817  -1.784  1.00  0.00           H  
HETATM   40  H   UNL     1       6.680  -1.610  -1.971  1.00  0.00           H  
HETATM   41  H   UNL     1       4.742  -2.655  -0.874  1.00  0.00           H  
HETATM   42  H   UNL     1       3.160  -1.276   0.413  1.00  0.00           H  
CONECT    1    6    2    2   28                                       
CONECT    2    1    1    3   29                                       
CONECT    3    4    2    7                                            
CONECT    4    5    3    9    9                                       
CONECT    5   20    6    6    4                                       
CONECT    6    5    5    1   30                                       
CONECT    7    3    8    8   10                                       
CONECT    8    9    7    7                                            
CONECT    9    4    4    8                                            
CONECT   10    7   11   13   12                                       
CONECT   11   18   18   14   10                                       
CONECT   12   10   13   31   32                                       
CONECT   13   10   12   33   34                                       
CONECT   14   15   15   11   35                                       
CONECT   15   16   14   14   36                                       
CONECT   16   19   17   17   15                                       
CONECT   17   16   16   18   37                                       
CONECT   18   17   11   11   38                                       
CONECT   19   16                                                      
CONECT   20   21    5                                                 
CONECT   21   26   26   22   20                                       
CONECT   22   23   23   21   27                                       
CONECT   23   24   22   22   39                                       
CONECT   24   25   25   23   40                                       
CONECT   25   24   24   26   41                                       
CONECT   26   25   21   21   42                                       
CONECT   27   22                                                      
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    6                                                      
CONECT   31   12                                                      
CONECT   32   12                                                      
CONECT   33   13                                                      
CONECT   34   13                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   17                                                      
CONECT   38   18                                                      
CONECT   39   23                                                      
CONECT   40   24                                                      
CONECT   41   25                                                      
CONECT   42   26                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
