COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.858   2.385  -0.181  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.232   1.291  -0.752  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.944   0.128  -0.994  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.196   2.326   0.152  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.922   1.159  -0.094  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.278   0.059  -0.666  1.00  0.00           C  
HETATM    7  N   UNL     1      -4.563  -0.465  -0.254  1.00  0.00           N  
HETATM    8  N   UNL     1      -8.176  -0.420  -0.608  1.00  0.00           N  
HETATM    9  N   UNL     1       2.037   0.924   0.028  1.00  0.00           N  
HETATM   10  O   UNL     1      -5.163   1.533   0.640  1.00  0.00           O  
HETATM   11  C   UNL     1      -3.318  -1.026  -0.791  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.332   0.798   0.144  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.848  -1.164  -0.172  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.295  -1.244   1.292  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.689  -1.872   1.346  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.624  -1.084   0.468  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.883  -0.410  -0.964  1.00  0.00           C  
HETATM   18  C   UNL     1       1.230   1.365  -1.112  1.00  0.00           C  
HETATM   19  C   UNL     1       3.381   0.907  -0.064  1.00  0.00           C  
HETATM   20  O   UNL     1      -6.540   0.218  -1.943  1.00  0.00           O  
HETATM   21  C   UNL     1       4.212   0.453   1.109  1.00  0.00           C  
HETATM   22  C   UNL     1       5.541  -0.058   0.615  1.00  0.00           C  
HETATM   23  C   UNL     1       5.690  -1.393   0.289  1.00  0.00           C  
HETATM   24  C   UNL     1       6.908  -1.863  -0.163  1.00  0.00           C  
HETATM   25  C   UNL     1       7.979  -0.996  -0.289  1.00  0.00           C  
HETATM   26  C   UNL     1       7.830   0.340   0.037  1.00  0.00           C  
HETATM   27  C   UNL     1       6.609   0.810   0.484  1.00  0.00           C  
HETATM   28  F   UNL     1       4.419   1.530   1.977  1.00  0.00           F  
HETATM   29  F   UNL     1       3.541  -0.570   1.787  1.00  0.00           F  
HETATM   30  O   UNL     1      -9.805  -1.049   0.738  1.00  0.00           O  
HETATM   31  O   UNL     1       3.923   1.256  -1.092  1.00  0.00           O  
HETATM   32 CL   UNL     1       9.513  -1.587  -0.850  1.00  0.00          Cl  
HETATM   33  H   UNL     1      -0.296   3.287   0.009  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.452  -0.724  -1.440  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.680   3.180   0.601  1.00  0.00           H  
HETATM   36  H   UNL     1      -8.812   0.070  -1.152  1.00  0.00           H  
HETATM   37  H   UNL     1       1.604   0.645   0.850  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.451  -1.298  -1.839  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.020  -1.900  -0.212  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.744  -2.171  -0.576  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.594  -1.859   1.856  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.332  -0.241   1.718  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.640  -2.899   0.986  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.053  -1.863   2.374  1.00  0.00           H  
HETATM   45  H   UNL     1       1.426   0.720  -1.968  1.00  0.00           H  
HETATM   46  H   UNL     1       1.490   2.393  -1.365  1.00  0.00           H  
HETATM   47  H   UNL     1       4.854  -2.070   0.389  1.00  0.00           H  
HETATM   48  H   UNL     1       7.025  -2.906  -0.417  1.00  0.00           H  
HETATM   49  H   UNL     1       8.666   1.017  -0.062  1.00  0.00           H  
HETATM   50  H   UNL     1       6.492   1.852   0.739  1.00  0.00           H  
CONECT    1    2    2    4   33                                       
CONECT    2   18    1    1    3                                       
CONECT    3    2    6    6   34                                       
CONECT    4    1    5    5   35                                       
CONECT    5    4    4    6   12                                       
CONECT    6    3    3    5   11                                       
CONECT    7   11   12   13                                            
CONECT    8   17   16   36                                            
CONECT    9   19   18   37                                            
CONECT   10   12   12                                                 
CONECT   11    6    7   38   39                                       
CONECT   12    5    7   10   10                                       
CONECT   13   17    7   14   40                                       
CONECT   14   13   15   41   42                                       
CONECT   15   16   14   43   44                                       
CONECT   16    8   30   30   15                                       
CONECT   17   20   20    8   13                                       
CONECT   18    9    2   45   46                                       
CONECT   19   21   31   31    9                                       
CONECT   20   17   17                                                 
CONECT   21   22   28   29   19                                       
CONECT   22   27   27   23   21                                       
CONECT   23   24   24   22   47                                       
CONECT   24   25   23   23   48                                       
CONECT   25   32   26   26   24                                       
CONECT   26   25   25   27   49                                       
CONECT   27   26   22   22   50                                       
CONECT   28   21                                                      
CONECT   29   21                                                      
CONECT   30   16   16                                                 
CONECT   31   19   19                                                 
CONECT   32   25                                                      
CONECT   33    1                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   15                                                      
CONECT   45   18                                                      
CONECT   46   18                                                      
CONECT   47   23                                                      
CONECT   48   24                                                      
CONECT   49   26                                                      
CONECT   50   27                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
