COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.005  -0.828  -1.340  1.00  0.00           C  
HETATM    2  C   UNL     1       6.615  -0.497   0.102  1.00  0.00           C  
HETATM    3  C   UNL     1       4.125  -0.220   0.162  1.00  0.00           C  
HETATM    4  C   UNL     1       5.286   1.653   0.052  1.00  0.00           C  
HETATM    5  C   UNL     1       1.879   0.749   0.187  1.00  0.00           C  
HETATM    6  O   UNL     1      -0.585  -1.788   0.362  1.00  0.00           O  
HETATM    7  C   UNL     1       0.306  -2.905   0.381  1.00  0.00           C  
HETATM    8  C   UNL     1       0.666  -3.245   1.828  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.373  -4.110  -0.273  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.249   1.849   0.209  1.00  0.00           C  
HETATM   11  C   UNL     1       1.129   1.925   0.166  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.242   1.400   1.409  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.585   1.519   2.760  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.618   1.276   1.297  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.187   1.175   0.042  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.128   1.305  -0.984  1.00  0.00           C  
HETATM   17  N   UNL     1       5.375   0.283   0.105  1.00  0.00           N  
HETATM   18  O   UNL     1       3.825  -1.399   0.223  1.00  0.00           O  
HETATM   19  N   UNL     1       3.269   0.822   0.144  1.00  0.00           N  
HETATM   20  N   UNL     1       4.038   1.992   0.073  1.00  0.00           N  
HETATM   21  C   UNL     1       6.453   2.605  -0.021  1.00  0.00           C  
HETATM   22  O   UNL     1       5.969   3.948  -0.063  1.00  0.00           O  
HETATM   23  N   UNL     1       1.290  -0.435   0.252  1.00  0.00           N  
HETATM   24  C   UNL     1      -0.025  -0.556   0.295  1.00  0.00           C  
HETATM   25  F   UNL     1       0.499  -5.204  -0.254  1.00  0.00           F  
HETATM   26  F   UNL     1      -1.537  -4.430   0.434  1.00  0.00           F  
HETATM   27  F   UNL     1      -0.702  -3.799  -1.596  1.00  0.00           F  
HETATM   28  C   UNL     1      -0.846   0.581   0.273  1.00  0.00           C  
HETATM   29  F   UNL     1       1.745   3.126   0.104  1.00  0.00           F  
HETATM   30  C   UNL     1      -2.312   0.447   0.321  1.00  0.00           C  
HETATM   31  O   UNL     1      -2.820  -0.657   0.376  1.00  0.00           O  
HETATM   32  N   UNL     1      -3.091   1.546   0.303  1.00  0.00           N  
HETATM   33  C   UNL     1      -4.483   1.417   0.242  1.00  0.00           C  
HETATM   34  N   UNL     1      -6.440   1.194  -1.045  1.00  0.00           N  
HETATM   35 CL   UNL     1      -4.197   1.325  -2.450  1.00  0.00          Cl  
HETATM   36  H   UNL     1       7.928  -1.408  -1.342  1.00  0.00           H  
HETATM   37  H   UNL     1       6.210  -1.408  -1.808  1.00  0.00           H  
HETATM   38  H   UNL     1       7.156   0.097  -1.896  1.00  0.00           H  
HETATM   39  H   UNL     1       6.463  -1.422   0.659  1.00  0.00           H  
HETATM   40  H   UNL     1       7.410   0.083   0.570  1.00  0.00           H  
HETATM   41  H   UNL     1       1.213  -2.656  -0.170  1.00  0.00           H  
HETATM   42  H   UNL     1       1.150  -2.387   2.294  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.241  -3.494   2.379  1.00  0.00           H  
HETATM   44  H   UNL     1       1.345  -4.098   1.843  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.853   2.745   0.194  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.519   2.570   3.040  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.177   0.981   3.500  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.584   1.091   2.716  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.238   1.259   2.181  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.259   1.078  -0.051  1.00  0.00           H  
HETATM   51  H   UNL     1       7.084   2.473   0.858  1.00  0.00           H  
HETATM   52  H   UNL     1       7.034   2.399  -0.920  1.00  0.00           H  
HETATM   53  H   UNL     1       6.667   4.616  -0.110  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.686   2.428   0.333  1.00  0.00           H  
CONECT    1    2   36   37   38                                       
CONECT    2    1   17   39   40                                       
CONECT    3   18   18   17   19                                       
CONECT    4   17   20   20   21                                       
CONECT    5   11   19   23   23                                       
CONECT    6   24    7                                                 
CONECT    7    6    9    8   41                                       
CONECT    8    7   42   43   44                                       
CONECT    9   25    7   27   26                                       
CONECT   10   11   11   28   45                                       
CONECT   11   29   10   10    5                                       
CONECT   12   13   14   14   33                                       
CONECT   13   12   46   47   48                                       
CONECT   14   12   12   15   49                                       
CONECT   15   14   34   34   50                                       
CONECT   16   33   33   34   35                                       
CONECT   17    3    2    4                                            
CONECT   18    3    3                                                 
CONECT   19    3    5   20                                            
CONECT   20   19    4    4                                            
CONECT   21    4   22   51   52                                       
CONECT   22   21   53                                                 
CONECT   23    5    5   24                                            
CONECT   24   28   28   23    6                                       
CONECT   25    9                                                      
CONECT   26    9                                                      
CONECT   27    9                                                      
CONECT   28   10   30   24   24                                       
CONECT   29   11                                                      
CONECT   30   31   31   28   32                                       
CONECT   31   30   30                                                 
CONECT   32   30   33   54                                            
CONECT   33   12   32   16   16                                       
CONECT   34   15   15   16                                            
CONECT   35   16                                                      
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    2                                                      
CONECT   40    2                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43    8                                                      
CONECT   44    8                                                      
CONECT   45   10                                                      
CONECT   46   13                                                      
CONECT   47   13                                                      
CONECT   48   13                                                      
CONECT   49   14                                                      
CONECT   50   15                                                      
CONECT   51   21                                                      
CONECT   52   21                                                      
CONECT   53   22                                                      
CONECT   54   32                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
