COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.249  -0.422  -0.451  1.00  0.00           N  
HETATM    2  N   UNL     1       3.689   0.321   0.131  1.00  0.00           N  
HETATM    3  C   UNL     1       4.859  -0.449   0.054  1.00  0.00           C  
HETATM    4  C   UNL     1       5.105  -1.232  -1.067  1.00  0.00           C  
HETATM    5  C   UNL     1       5.778  -0.425   1.097  1.00  0.00           C  
HETATM    6  C   UNL     1       0.182   0.780  -0.104  1.00  0.00           C  
HETATM    7  C   UNL     1       6.260  -1.990  -1.139  1.00  0.00           C  
HETATM    8  C   UNL     1       6.931  -1.186   1.017  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.577   0.301   0.180  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.827   1.132  -0.107  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.968   2.639  -0.226  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.769  -3.021   0.934  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.436  -3.342  -0.524  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.332  -2.879   0.428  1.00  0.00           C  
HETATM   15  N   UNL     1      -5.808  -1.523   0.248  1.00  0.00           N  
HETATM   16  C   UNL     1      -4.480  -1.300   0.304  1.00  0.00           C  
HETATM   17  O   UNL     1      -3.717  -2.225   0.503  1.00  0.00           O  
HETATM   18  C   UNL     1      -3.952   0.068   0.123  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.332   2.408  -0.276  1.00  0.00           C  
HETATM   20 CL   UNL     1      -2.354   4.248  -0.439  1.00  0.00          Cl  
HETATM   21  C   UNL     1      -2.089   1.586   0.008  1.00  0.00           C  
HETATM   22  N   UNL     1      -0.713   1.826   0.071  1.00  0.00           N  
HETATM   23  N   UNL     1       0.538  -1.419  -0.624  1.00  0.00           N  
HETATM   24  C   UNL     1       1.843  -1.340  -0.473  1.00  0.00           C  
HETATM   25  C   UNL     1       2.419  -0.124  -0.108  1.00  0.00           C  
HETATM   26  C   UNL     1       1.562   0.981   0.085  1.00  0.00           C  
HETATM   27  C   UNL     1       2.376   2.075   0.443  1.00  0.00           C  
HETATM   28  N   UNL     1       3.619   1.680   0.467  1.00  0.00           N  
HETATM   29  F   UNL     1       4.216  -1.255  -2.085  1.00  0.00           F  
HETATM   30  C   UNL     1       7.169  -1.969  -0.097  1.00  0.00           C  
HETATM   31  F   UNL     1       5.547   0.340   2.186  1.00  0.00           F  
HETATM   32  H   UNL     1       6.452  -2.599  -2.010  1.00  0.00           H  
HETATM   33  H   UNL     1       7.646  -1.168   1.826  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.896  -0.518   0.362  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.892   0.956  -0.147  1.00  0.00           H  
HETATM   36  H   UNL     1      -8.324  -2.104   1.133  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.989  -3.858   1.597  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.438  -4.391  -0.821  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.773  -2.638  -1.285  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.607  -3.624   0.758  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.417  -0.785   0.089  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.011   3.230  -0.450  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.384   2.723   0.237  1.00  0.00           H  
HETATM   44  H   UNL     1       2.463  -2.210  -0.631  1.00  0.00           H  
HETATM   45  H   UNL     1       2.029   3.074   0.660  1.00  0.00           H  
HETATM   46  H   UNL     1       8.069  -2.562  -0.156  1.00  0.00           H  
CONECT    1    6    6   23                                            
CONECT    2   28   25    3                                            
CONECT    3    2    4    4    5                                       
CONECT    4    3    3   29    7                                       
CONECT    5    3    8    8   31                                       
CONECT    6    1    1   22   26                                       
CONECT    7    4   30   30   32                                       
CONECT    8    5    5   30   33                                       
CONECT    9   18   18   21   34                                       
CONECT   10   18   19   19   35                                       
CONECT   11   21   21   19   20                                       
CONECT   12   13   14   36   37                                       
CONECT   13   12   14   38   39                                       
CONECT   14   12   13   15   40                                       
CONECT   15   14   16   41                                            
CONECT   16   15   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18    9    9   10   16                                       
CONECT   19   10   10   11   42                                       
CONECT   20   11                                                      
CONECT   21    9   11   11   22                                       
CONECT   22    6   21   43                                            
CONECT   23    1   24   24                                            
CONECT   24   23   23   25   44                                       
CONECT   25    2   24   26   26                                       
CONECT   26    6   25   25   27                                       
CONECT   27   26   28   28   45                                       
CONECT   28    2   27   27                                            
CONECT   29    4                                                      
CONECT   30    7    7    8   46                                       
CONECT   31    5                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   12                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   19                                                      
CONECT   43   22                                                      
CONECT   44   24                                                      
CONECT   45   27                                                      
CONECT   46   30                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
