COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.228   3.960   1.093  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.339   3.112   1.722  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.373   1.754   1.467  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.304   1.234   0.575  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.205   2.078  -0.056  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.166   3.447   0.197  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.122   4.355  -0.478  1.00  0.00           C  
HETATM    8  N   UNL     1      -5.997   3.874  -1.314  1.00  0.00           N  
HETATM    9  N   UNL     1      -5.085   5.708  -0.221  1.00  0.00           N  
HETATM   10  N   UNL     1      -3.335  -0.142   0.319  1.00  0.00           N  
HETATM   11  N   UNL     1      -4.476  -0.955   0.304  1.00  0.00           N  
HETATM   12  N   UNL     1       0.123  -1.418  -0.227  1.00  0.00           N  
HETATM   13  C   UNL     1       1.451  -1.002  -0.390  1.00  0.00           C  
HETATM   14  C   UNL     1       2.493  -1.829   0.015  1.00  0.00           C  
HETATM   15  C   UNL     1       3.803  -1.419  -0.151  1.00  0.00           C  
HETATM   16  C   UNL     1       4.077  -0.180  -0.713  1.00  0.00           C  
HETATM   17  N   UNL     1       5.406   0.238  -0.877  1.00  0.00           N  
HETATM   18  C   UNL     1       3.035   0.647  -1.112  1.00  0.00           C  
HETATM   19  C   UNL     1       1.727   0.238  -0.951  1.00  0.00           C  
HETATM   20  C   UNL     1       6.394   0.227   0.089  1.00  0.00           C  
HETATM   21  C   UNL     1       5.961   0.734  -2.018  1.00  0.00           C  
HETATM   22  C   UNL     1       7.550   0.728  -0.533  1.00  0.00           C  
HETATM   23  N   UNL     1       7.214   1.021  -1.816  1.00  0.00           N  
HETATM   24  C   UNL     1      -2.256  -0.935   0.031  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.734  -2.218  -0.147  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.853  -0.504  -0.061  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.115  -2.184   0.028  1.00  0.00           C  
HETATM   28  O   UNL     1      -0.575   0.678   0.011  1.00  0.00           O  
HETATM   29  C   UNL     1      -5.043  -3.366  -0.082  1.00  0.00           C  
HETATM   30  F   UNL     1      -6.367  -2.933   0.044  1.00  0.00           F  
HETATM   31  F   UNL     1      -4.870  -3.981  -1.326  1.00  0.00           F  
HETATM   32  F   UNL     1      -4.754  -4.282   0.935  1.00  0.00           F  
HETATM   33  C   UNL     1       8.734   0.836   0.201  1.00  0.00           C  
HETATM   34  C   UNL     1       8.758   0.447   1.520  1.00  0.00           C  
HETATM   35  C   UNL     1       7.615  -0.053   2.129  1.00  0.00           C  
HETATM   36  C   UNL     1       6.439  -0.167   1.419  1.00  0.00           C  
HETATM   37  F   UNL     1       2.226  -3.035   0.562  1.00  0.00           F  
HETATM   38  H   UNL     1      -3.197   5.021   1.295  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.613   3.511   2.415  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.675   1.095   1.961  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.930   1.676  -0.749  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.023   2.922  -1.494  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.711   6.303  -0.664  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.436   6.066   0.404  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.093  -2.363  -0.233  1.00  0.00           H  
HETATM   46  H   UNL     1       4.613  -2.062   0.160  1.00  0.00           H  
HETATM   47  H   UNL     1       3.249   1.611  -1.549  1.00  0.00           H  
HETATM   48  H   UNL     1       0.917   0.881  -1.262  1.00  0.00           H  
HETATM   49  H   UNL     1       5.438   0.870  -2.953  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.144  -3.091  -0.384  1.00  0.00           H  
HETATM   51  H   UNL     1       9.627   1.224  -0.266  1.00  0.00           H  
HETATM   52  H   UNL     1       9.674   0.530   2.087  1.00  0.00           H  
HETATM   53  H   UNL     1       7.648  -0.355   3.165  1.00  0.00           H  
HETATM   54  H   UNL     1       5.553  -0.557   1.899  1.00  0.00           H  
CONECT    1    2    2    6   38                                       
CONECT    2    1    1    3   39                                       
CONECT    3    2    4    4   40                                       
CONECT    4    3    3    5   10                                       
CONECT    5    4    6    6   41                                       
CONECT    6    1    5    5    7                                       
CONECT    7    6    8    8    9                                       
CONECT    8    7    7   42                                            
CONECT    9    7   43   44                                            
CONECT   10    4   11   24                                            
CONECT   11   10   27   27                                            
CONECT   12   13   26   45                                            
CONECT   13   12   14   14   19                                       
CONECT   14   13   13   15   37                                       
CONECT   15   14   16   16   46                                       
CONECT   16   15   15   17   18                                       
CONECT   17   16   20   21                                            
CONECT   18   16   19   19   47                                       
CONECT   19   13   18   18   48                                       
CONECT   20   17   22   22   36                                       
CONECT   21   17   23   23   49                                       
CONECT   22   20   20   23   33                                       
CONECT   23   21   21   22                                            
CONECT   24   10   25   25   26                                       
CONECT   25   24   24   27   50                                       
CONECT   26   12   24   28   28                                       
CONECT   27   11   11   25   29                                       
CONECT   28   26   26                                                 
CONECT   29   27   30   31   32                                       
CONECT   30   29                                                      
CONECT   31   29                                                      
CONECT   32   29                                                      
CONECT   33   22   34   34   51                                       
CONECT   34   33   33   35   52                                       
CONECT   35   34   36   36   53                                       
CONECT   36   20   35   35   54                                       
CONECT   37   14                                                      
CONECT   38    1                                                      
CONECT   39    2                                                      
CONECT   40    3                                                      
CONECT   41    5                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44    9                                                      
CONECT   45   12                                                      
CONECT   46   15                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   21                                                      
CONECT   50   25                                                      
CONECT   51   33                                                      
CONECT   52   34                                                      
CONECT   53   35                                                      
CONECT   54   36                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
