COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.354   2.655   0.976  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.472   1.942   0.928  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.878   1.877   1.189  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.031   1.824   1.402  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.279  -0.103  -0.608  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.271  -2.295  -1.982  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.750   0.043  -1.913  1.00  0.00           C  
HETATM    8  C   UNL     1       3.148   0.956  -1.147  1.00  0.00           C  
HETATM    9  C   UNL     1       4.190  -1.319  -1.090  1.00  0.00           C  
HETATM   10  C   UNL     1       4.886  -2.323   0.970  1.00  0.00           C  
HETATM   11  C   UNL     1       4.469  -1.196   1.659  1.00  0.00           C  
HETATM   12  O   UNL     1       0.646  -0.055  -1.201  1.00  0.00           O  
HETATM   13  C   UNL     1       0.795   0.938  -0.515  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.361   1.539   0.169  1.00  0.00           C  
HETATM   15  N   UNL     1      -1.605   2.885   1.420  1.00  0.00           N  
HETATM   16  C   UNL     1      -6.477   1.758   1.671  1.00  0.00           C  
HETATM   17  O   UNL     1      -6.790   0.510   2.292  1.00  0.00           O  
HETATM   18  C   UNL     1      -8.176   0.343   2.596  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.754   1.069   0.128  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.309  -1.359   0.004  1.00  0.00           C  
HETATM   21  F   UNL     1      -1.855  -1.509   1.267  1.00  0.00           F  
HETATM   22  C   UNL     1      -2.806  -2.448  -0.688  1.00  0.00           C  
HETATM   23 CL   UNL     1      -3.893  -3.667  -2.845  1.00  0.00          Cl  
HETATM   24  C   UNL     1      -3.243  -1.052  -2.592  1.00  0.00           C  
HETATM   25  N   UNL     1       2.018   1.487  -0.380  1.00  0.00           N  
HETATM   26  C   UNL     1       3.764  -0.199  -0.401  1.00  0.00           C  
HETATM   27  C   UNL     1       4.751  -2.381  -0.407  1.00  0.00           C  
HETATM   28  F   UNL     1       5.439  -3.359   1.639  1.00  0.00           F  
HETATM   29 CL   UNL     1       4.638  -1.122   3.386  1.00  0.00          Cl  
HETATM   30  C   UNL     1       3.904  -0.137   0.973  1.00  0.00           C  
HETATM   31  C   UNL     1       4.194   2.055  -1.341  1.00  0.00           C  
HETATM   32  C   UNL     1       3.620   3.150  -2.203  1.00  0.00           C  
HETATM   33  N   UNL     1       4.326   4.278  -2.419  1.00  0.00           N  
HETATM   34  O   UNL     1       2.523   3.016  -2.702  1.00  0.00           O  
HETATM   35  H   UNL     1       0.515   3.248   1.219  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.729   1.011  -2.390  1.00  0.00           H  
HETATM   37  H   UNL     1       2.797   0.614  -2.121  1.00  0.00           H  
HETATM   38  H   UNL     1       4.080  -1.365  -2.164  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.857   3.614   2.008  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.762   2.575   2.334  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.025   1.845   0.732  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.331  -0.629   3.065  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.496   1.131   3.278  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.759   0.400   1.677  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.830  -3.420  -0.217  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.608  -0.939  -3.602  1.00  0.00           H  
HETATM   47  H   UNL     1       2.151   2.233   0.225  1.00  0.00           H  
HETATM   48  H   UNL     1       5.082  -3.256  -0.946  1.00  0.00           H  
HETATM   49  H   UNL     1       3.579   0.742   1.510  1.00  0.00           H  
HETATM   50  H   UNL     1       4.474   2.466  -0.370  1.00  0.00           H  
HETATM   51  H   UNL     1       5.076   1.636  -1.825  1.00  0.00           H  
HETATM   52  H   UNL     1       5.203   4.385  -2.020  1.00  0.00           H  
HETATM   53  H   UNL     1       3.956   4.982  -2.974  1.00  0.00           H  
CONECT    1   15   14   14   35                                       
CONECT    2   15    3   19   19                                       
CONECT    3    4    4    4    2                                       
CONECT    4   16    3    3    3                                       
CONECT    5    7   19   20   20                                       
CONECT    6   24   23   22   22                                       
CONECT    7   24   24    5   36                                       
CONECT    8   26   25   31   37                                       
CONECT    9   27   27   26   38                                       
CONECT   10   28   11   11   27                                       
CONECT   11   29   10   10   30                                       
CONECT   12   13   13                                                 
CONECT   13   14   12   12   25                                       
CONECT   14    1    1   19   13                                       
CONECT   15    2    1   39                                            
CONECT   16   17    4   40   41                                       
CONECT   17   18   16                                                 
CONECT   18   17   42   43   44                                       
CONECT   19    2    2   14    5                                       
CONECT   20    5    5   22   21                                       
CONECT   21   20                                                      
CONECT   22    6    6   20   45                                       
CONECT   23    6                                                      
CONECT   24    7    7    6   46                                       
CONECT   25   13    8   47                                            
CONECT   26   30   30    9    8                                       
CONECT   27   10    9    9   48                                       
CONECT   28   10                                                      
CONECT   29   11                                                      
CONECT   30   11   26   26   49                                       
CONECT   31    8   32   50   51                                       
CONECT   32   31   33   34   34                                       
CONECT   33   32   52   53                                            
CONECT   34   32   32                                                 
CONECT   35    1                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   16                                                      
CONECT   42   18                                                      
CONECT   43   18                                                      
CONECT   44   18                                                      
CONECT   45   22                                                      
CONECT   46   24                                                      
CONECT   47   25                                                      
CONECT   48   27                                                      
CONECT   49   30                                                      
CONECT   50   31                                                      
CONECT   51   31                                                      
CONECT   52   33                                                      
CONECT   53   33                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
