COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  F   UNL     1       2.267  -0.489  -1.704  1.00  0.00           F  
HETATM    2  C   UNL     1       2.959  -0.268  -0.564  1.00  0.00           C  
HETATM    3  C   UNL     1       3.890   0.758  -0.509  1.00  0.00           C  
HETATM    4  C   UNL     1       4.104   1.601  -1.740  1.00  0.00           C  
HETATM    5  C   UNL     1       4.828   2.895  -1.368  1.00  0.00           C  
HETATM    6  N   UNL     1       6.014   2.553  -0.568  1.00  0.00           N  
HETATM    7  C   UNL     1       5.612   2.091   0.764  1.00  0.00           C  
HETATM    8  C   UNL     1       4.595   0.984   0.654  1.00  0.00           C  
HETATM    9  C   UNL     1       4.372   0.182   1.764  1.00  0.00           C  
HETATM   10  C   UNL     1       3.448  -0.841   1.715  1.00  0.00           C  
HETATM   11  C   UNL     1       2.730  -1.067   0.549  1.00  0.00           C  
HETATM   12  N   UNL     1       1.784  -2.098   0.493  1.00  0.00           N  
HETATM   13  C   UNL     1       0.485  -1.953   0.805  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.032  -0.916   1.165  1.00  0.00           O  
HETATM   15  C   UNL     1       2.083  -3.474   0.080  1.00  0.00           C  
HETATM   16  C   UNL     1       0.893  -4.322   0.582  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.240  -3.270   0.642  1.00  0.00           C  
HETATM   18  N   UNL     1      -1.010  -3.281  -0.604  1.00  0.00           N  
HETATM   19  S   UNL     1      -2.622  -2.903  -0.585  1.00  0.00           S  
HETATM   20  O   UNL     1      -3.066  -2.969  -1.933  1.00  0.00           O  
HETATM   21  O   UNL     1      -3.201  -3.669   0.463  1.00  0.00           O  
HETATM   22  C   UNL     1      -2.756  -1.214  -0.099  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.743  -0.240  -1.049  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.879  -0.897   1.253  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.985   0.397   1.662  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.970   1.430   0.710  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.078   2.778   1.094  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.060   3.753   0.143  1.00  0.00           C  
HETATM   29 CL   UNL     1      -3.192   5.417   0.622  1.00  0.00          Cl  
HETATM   30  C   UNL     1      -2.850   1.107  -0.665  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.840   2.141  -1.618  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.936   3.435  -1.209  1.00  0.00           C  
HETATM   33  H   UNL     1       4.705   1.044  -2.460  1.00  0.00           H  
HETATM   34  H   UNL     1       3.139   1.841  -2.187  1.00  0.00           H  
HETATM   35  H   UNL     1       5.135   3.416  -2.275  1.00  0.00           H  
HETATM   36  H   UNL     1       4.163   3.531  -0.784  1.00  0.00           H  
HETATM   37  H   UNL     1       6.578   1.859  -1.036  1.00  0.00           H  
HETATM   38  H   UNL     1       6.489   1.722   1.297  1.00  0.00           H  
HETATM   39  H   UNL     1       5.179   2.924   1.318  1.00  0.00           H  
HETATM   40  H   UNL     1       4.928   0.359   2.674  1.00  0.00           H  
HETATM   41  H   UNL     1       3.280  -1.461   2.583  1.00  0.00           H  
HETATM   42  H   UNL     1       2.157  -3.534  -1.006  1.00  0.00           H  
HETATM   43  H   UNL     1       3.010  -3.814   0.541  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.892  -3.456   1.496  1.00  0.00           H  
HETATM   45  H   UNL     1       0.652  -5.114  -0.126  1.00  0.00           H  
HETATM   46  H   UNL     1       1.098  -4.735   1.571  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.576  -3.509  -1.441  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.651  -0.501  -2.093  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.892  -1.690   1.986  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.081   0.628   2.712  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.174   3.039   2.138  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.925   4.227  -1.943  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.750   1.909  -2.669  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3   11   11                                       
CONECT    3    2    4    8    8                                       
CONECT    4    3    5   33   34                                       
CONECT    5    4    6   35   36                                       
CONECT    6    5    7   37                                            
CONECT    7    6    8   38   39                                       
CONECT    8    3    3    7    9                                       
CONECT    9    8   10   10   40                                       
CONECT   10    9    9   11   41                                       
CONECT   11    2    2   10   12                                       
CONECT   12   11   13   15                                            
CONECT   13   12   14   14   17                                       
CONECT   14   13   13                                                 
CONECT   15   12   16   42   43                                       
CONECT   16   15   17   45   46                                       
CONECT   17   13   16   18   44                                       
CONECT   18   17   19   47                                            
CONECT   19   18   20   20   21                                       
CONECT   19   21   22                                                 
CONECT   20   19   19                                                 
CONECT   21   19   19                                                 
CONECT   22   19   23   24   24                                       
CONECT   23   22   30   30   48                                       
CONECT   24   22   22   25   49                                       
CONECT   25   24   26   26   50                                       
CONECT   26   25   25   27   30                                       
CONECT   27   26   28   28   51                                       
CONECT   28   27   27   29   32                                       
CONECT   29   28                                                      
CONECT   30   23   23   26   31                                       
CONECT   31   30   32   32   53                                       
CONECT   32   28   31   31   52                                       
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    7                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   15                                                      
CONECT   43   15                                                      
CONECT   44   17                                                      
CONECT   45   16                                                      
CONECT   46   16                                                      
CONECT   47   18                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   25                                                      
CONECT   51   27                                                      
CONECT   52   32                                                      
CONECT   53   31                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
