COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.260   2.077   0.804  1.00  0.00           N  
HETATM    2  C   UNL     1       3.508  -0.317  -0.206  1.00  0.00           C  
HETATM    3  C   UNL     1       3.573  -0.543   1.158  1.00  0.00           C  
HETATM    4  C   UNL     1       2.424  -0.850   1.863  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.962  -0.347   0.882  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.165  -0.560   0.203  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.754  -2.924   0.216  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.543   1.021   1.235  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.181   5.785   1.047  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.735  -0.911  -1.785  1.00  0.00           C  
HETATM   11  F   UNL     1      -3.145  -4.175  -0.110  1.00  0.00           F  
HETATM   12  C   UNL     1      -3.553  -1.840  -0.124  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.851  -2.066  -0.856  1.00  0.00           C  
HETATM   14  O   UNL     1      -5.489  -0.809  -1.093  1.00  0.00           O  
HETATM   15  C   UNL     1      -7.324   0.486  -1.983  1.00  0.00           C  
HETATM   16  O   UNL     1      -6.474   1.245  -2.845  1.00  0.00           O  
HETATM   17  C   UNL     1      -1.562  -2.729   0.893  1.00  0.00           C  
HETATM   18  F   UNL     1      -0.793  -3.789   1.224  1.00  0.00           F  
HETATM   19  C   UNL     1      -1.157  -1.444   1.231  1.00  0.00           C  
HETATM   20  N   UNL     1       0.040  -1.244   1.910  1.00  0.00           N  
HETATM   21  C   UNL     1       1.204  -0.934   1.200  1.00  0.00           C  
HETATM   22  F   UNL     1       2.487  -1.071   3.195  1.00  0.00           F  
HETATM   23  C   UNL     1       1.145  -0.707  -0.168  1.00  0.00           C  
HETATM   24  C   UNL     1       2.296  -0.395  -0.867  1.00  0.00           C  
HETATM   25  I   UNL     1       5.251   0.149  -1.272  1.00  0.00           I  
HETATM   26  O   UNL     1      -0.550   1.196   1.915  1.00  0.00           O  
HETATM   27  O   UNL     1      -1.857   3.392   1.144  1.00  0.00           O  
HETATM   28  C   UNL     1      -2.708   4.413   0.621  1.00  0.00           C  
HETATM   29  O   UNL     1      -0.904   6.012   0.447  1.00  0.00           O  
HETATM   30  H   UNL     1      -3.049   1.938   0.259  1.00  0.00           H  
HETATM   31  H   UNL     1       4.521  -0.477   1.671  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.790   0.279  -0.064  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.877   6.559   0.724  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.082   5.814   2.132  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.573  -1.378  -2.757  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.426  -1.518  -1.201  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.650  -2.557  -1.809  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.503  -2.697  -0.252  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.315   0.403  -2.431  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.403   0.987  -1.018  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.787   2.144  -3.015  1.00  0.00           H  
HETATM   42  H   UNL     1       0.067  -1.321   2.877  1.00  0.00           H  
HETATM   43  H   UNL     1       0.199  -0.771  -0.686  1.00  0.00           H  
HETATM   44  H   UNL     1       2.249  -0.218  -1.931  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.719   4.277   1.006  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.723   4.352  -0.468  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.509   6.865   0.674  1.00  0.00           H  
CONECT    1   27    8   30                                            
CONECT    2   24   24   25    3                                       
CONECT    3    2    4    4   31                                       
CONECT    4    3    3   21   22                                       
CONECT    5    6    6    8   19                                       
CONECT    6    5    5   12   32                                       
CONECT    7   12   12   11   17                                       
CONECT    8    1    5   26   26                                       
CONECT    9   28   29   33   34                                       
CONECT   10   15   14   35   36                                       
CONECT   11    7                                                      
CONECT   12    6    7    7   13                                       
CONECT   13   12   14   37   38                                       
CONECT   14   10   13                                                 
CONECT   15   10   16   39   40                                       
CONECT   16   15   41                                                 
CONECT   17    7   19   19   18                                       
CONECT   18   17                                                      
CONECT   19    5   17   17   20                                       
CONECT   20   19   21   42                                            
CONECT   21    4   20   23   23                                       
CONECT   22    4                                                      
CONECT   23   21   21   24   43                                       
CONECT   24    2    2   23   44                                       
CONECT   25    2                                                      
CONECT   26    8    8                                                 
CONECT   27    1   28                                                 
CONECT   28    9   27   45   46                                       
CONECT   29    9   47                                                 
CONECT   30    1                                                      
CONECT   31    3                                                      
CONECT   32    6                                                      
CONECT   33    9                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   10                                                      
CONECT   37   13                                                      
CONECT   38   13                                                      
CONECT   39   15                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   20                                                      
CONECT   43   23                                                      
CONECT   44   24                                                      
CONECT   45   28                                                      
CONECT   46   28                                                      
CONECT   47   29                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
