COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.459   1.932  -1.562  1.00  0.00           O  
HETATM    2  C   UNL     1       4.239   1.071  -0.733  1.00  0.00           C  
HETATM    3  O   UNL     1       5.256   0.351  -0.224  1.00  0.00           O  
HETATM    4  C   UNL     1       6.589   0.654  -0.715  1.00  0.00           C  
HETATM    5  C   UNL     1       7.590  -0.245  -0.036  1.00  0.00           C  
HETATM    6  N   UNL     1       7.973  -1.418  -0.468  1.00  0.00           N  
HETATM    7  N   UNL     1       8.909  -1.906   0.458  1.00  0.00           N  
HETATM    8  C   UNL     1       9.618  -3.187   0.399  1.00  0.00           C  
HETATM    9  C   UNL     1       9.026  -0.964   1.410  1.00  0.00           C  
HETATM   10  N   UNL     1       8.233   0.029   1.098  1.00  0.00           N  
HETATM   11  N   UNL     1       2.977   0.840  -0.320  1.00  0.00           N  
HETATM   12  C   UNL     1       1.871   1.628  -0.870  1.00  0.00           C  
HETATM   13  C   UNL     1       1.357   0.988  -2.177  1.00  0.00           C  
HETATM   14  C   UNL     1       0.220   0.070  -1.680  1.00  0.00           C  
HETATM   15  C   UNL     1       0.690   1.605   0.075  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.267   0.701  -0.396  1.00  0.00           C  
HETATM   17  C   UNL     1       0.216   2.146   1.225  1.00  0.00           C  
HETATM   18  N   UNL     1      -1.002   1.615   1.491  1.00  0.00           N  
HETATM   19  C   UNL     1      -1.842   1.943   2.645  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.317   0.718   0.497  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.547  -0.077   0.405  1.00  0.00           C  
HETATM   22  O   UNL     1      -2.580  -1.202   0.866  1.00  0.00           O  
HETATM   23  N   UNL     1      -3.640   0.440  -0.191  1.00  0.00           N  
HETATM   24  C   UNL     1      -4.843  -0.275  -0.187  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.052   0.400  -0.086  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.239  -0.309  -0.082  1.00  0.00           C  
HETATM   27 CL   UNL     1      -8.752   0.533   0.044  1.00  0.00          Cl  
HETATM   28  C   UNL     1      -4.829  -1.660  -0.290  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.017  -2.364  -0.286  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.222  -1.691  -0.180  1.00  0.00           C  
HETATM   31  F   UNL     1      -8.383  -2.382  -0.175  1.00  0.00           F  
HETATM   32  H   UNL     1       6.625   0.490  -1.792  1.00  0.00           H  
HETATM   33  H   UNL     1       6.828   1.694  -0.497  1.00  0.00           H  
HETATM   34  H   UNL     1      10.552  -3.060  -0.148  1.00  0.00           H  
HETATM   35  H   UNL     1       9.833  -3.530   1.411  1.00  0.00           H  
HETATM   36  H   UNL     1       8.996  -3.923  -0.110  1.00  0.00           H  
HETATM   37  H   UNL     1       9.667  -1.014   2.277  1.00  0.00           H  
HETATM   38  H   UNL     1       2.801   0.153   0.342  1.00  0.00           H  
HETATM   39  H   UNL     1       2.191   2.653  -1.052  1.00  0.00           H  
HETATM   40  H   UNL     1       0.970   1.750  -2.855  1.00  0.00           H  
HETATM   41  H   UNL     1       2.142   0.405  -2.658  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.586   0.035  -2.413  1.00  0.00           H  
HETATM   43  H   UNL     1       0.600  -0.933  -1.488  1.00  0.00           H  
HETATM   44  H   UNL     1       0.727   2.882   1.829  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.561   2.713   2.365  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.376   1.050   2.971  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.216   2.309   3.459  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.593   1.308  -0.623  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.065   1.477  -0.010  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.889  -2.186  -0.373  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.006  -3.441  -0.366  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3   11    1    1                                       
CONECT    3    4    2                                                 
CONECT    4    5    3   32   33                                       
CONECT    5   10    4    6    6                                       
CONECT    6    7    5    5                                            
CONECT    7    9    8    6                                            
CONECT    8    7   34   35   36                                       
CONECT    9   10   10    7   37                                       
CONECT   10    9    9    5                                            
CONECT   11    2   12   38                                            
CONECT   12   11   13   15   39                                       
CONECT   13   12   14   40   41                                       
CONECT   14   13   16   42   43                                       
CONECT   15   12   16   17   17                                       
CONECT   16   14   15   20   20                                       
CONECT   17   15   15   18   44                                       
CONECT   18   17   20   19                                            
CONECT   19   18   45   46   47                                       
CONECT   20   16   16   18   21                                       
CONECT   21   22   22   20   23                                       
CONECT   22   21   21                                                 
CONECT   23   21   24   48                                            
CONECT   24   28   23   25   25                                       
CONECT   25   24   24   26   49                                       
CONECT   26   30   30   25   27                                       
CONECT   27   26                                                      
CONECT   28   29   29   24   50                                       
CONECT   29   28   28   30   51                                       
CONECT   30   29   31   26   26                                       
CONECT   31   30                                                      
CONECT   32    4                                                      
CONECT   33    4                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   17                                                      
CONECT   45   19                                                      
CONECT   46   19                                                      
CONECT   47   19                                                      
CONECT   48   23                                                      
CONECT   49   25                                                      
CONECT   50   28                                                      
CONECT   51   29                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
