COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.097   1.645  -0.421  1.00  0.00           C  
HETATM    2  C   UNL     1       3.811   0.490  -0.112  1.00  0.00           C  
HETATM    3  C   UNL     1       5.023   0.624   0.591  1.00  0.00           C  
HETATM    4  N   UNL     1       5.437   1.839   0.930  1.00  0.00           N  
HETATM    5  N   UNL     1       3.579   2.820  -0.047  1.00  0.00           N  
HETATM    6  C   UNL     1       2.880  -1.752   0.458  1.00  0.00           C  
HETATM    7  C   UNL     1       2.411  -2.994   0.079  1.00  0.00           C  
HETATM    8 CL   UNL     1       1.872  -4.122   1.284  1.00  0.00          Cl  
HETATM    9  C   UNL     1       2.370  -3.342  -1.260  1.00  0.00           C  
HETATM   10  C   UNL     1       2.798  -2.449  -2.226  1.00  0.00           C  
HETATM   11  C   UNL     1       3.268  -1.205  -1.858  1.00  0.00           C  
HETATM   12  C   UNL     1       3.307  -0.846  -0.512  1.00  0.00           C  
HETATM   13  N   UNL     1       5.771  -0.492   0.923  1.00  0.00           N  
HETATM   14  C   UNL     1       4.724   2.910   0.614  1.00  0.00           C  
HETATM   15  N   UNL     1       5.188   4.159   0.985  1.00  0.00           N  
HETATM   16  C   UNL     1       1.796   1.559  -1.177  1.00  0.00           C  
HETATM   17  C   UNL     1       0.642   1.383  -0.188  1.00  0.00           C  
HETATM   18  O   UNL     1      -0.579   1.205  -0.908  1.00  0.00           O  
HETATM   19  C   UNL     1      -1.726   1.031  -0.074  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.969   0.850  -0.947  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.197   0.664  -0.053  1.00  0.00           C  
HETATM   22  O   UNL     1      -5.359   0.495  -0.869  1.00  0.00           O  
HETATM   23  C   UNL     1      -6.543   0.316  -0.226  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.710   0.147  -0.956  1.00  0.00           C  
HETATM   25  C   UNL     1      -8.913  -0.035  -0.301  1.00  0.00           C  
HETATM   26  C   UNL     1      -8.953  -0.048   1.081  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.791   0.122   1.811  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.585   0.297   1.160  1.00  0.00           C  
HETATM   29  H   UNL     1       2.912  -1.480   1.503  1.00  0.00           H  
HETATM   30  H   UNL     1       2.003  -4.315  -1.552  1.00  0.00           H  
HETATM   31  H   UNL     1       2.767  -2.727  -3.269  1.00  0.00           H  
HETATM   32  H   UNL     1       3.602  -0.508  -2.613  1.00  0.00           H  
HETATM   33  H   UNL     1       5.461  -1.376   0.672  1.00  0.00           H  
HETATM   34  H   UNL     1       6.605  -0.390   1.408  1.00  0.00           H  
HETATM   35  H   UNL     1       4.677   4.953   0.761  1.00  0.00           H  
HETATM   36  H   UNL     1       6.025   4.242   1.469  1.00  0.00           H  
HETATM   37  H   UNL     1       1.648   2.475  -1.750  1.00  0.00           H  
HETATM   38  H   UNL     1       1.827   0.707  -1.856  1.00  0.00           H  
HETATM   39  H   UNL     1       0.828   0.508   0.434  1.00  0.00           H  
HETATM   40  H   UNL     1       0.566   2.268   0.443  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.589   0.148   0.551  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.851   1.909   0.560  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.106   1.733  -1.572  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.844  -0.028  -1.581  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.061  -0.219   0.572  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.322   1.542   0.580  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.679   0.157  -2.036  1.00  0.00           H  
HETATM   48  H   UNL     1      -9.822  -0.167  -0.868  1.00  0.00           H  
HETATM   49  H   UNL     1      -9.894  -0.190   1.592  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.825   0.112   2.890  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.678   0.430   1.730  1.00  0.00           H  
CONECT    1   16    2    2    5                                       
CONECT    2   12    1    1    3                                       
CONECT    3    2   13    4    4                                       
CONECT    4    3    3   14                                            
CONECT    5    1   14   14                                            
CONECT    6   12   12    7   29                                       
CONECT    7    9    9    6    8                                       
CONECT    8    7                                                      
CONECT    9   10    7    7   30                                       
CONECT   10   11   11    9   31                                       
CONECT   11   10   10   12   32                                       
CONECT   12   11    2    6    6                                       
CONECT   13    3   33   34                                            
CONECT   14    5    5    4   15                                       
CONECT   15   14   35   36                                            
CONECT   16    1   17   37   38                                       
CONECT   17   16   18   39   40                                       
CONECT   18   17   19                                                 
CONECT   19   18   20   41   42                                       
CONECT   20   21   19   43   44                                       
CONECT   21   22   20   45   46                                       
CONECT   22   23   21                                                 
CONECT   23   24   24   28   22                                       
CONECT   24   25   23   23   47                                       
CONECT   25   26   26   24   48                                       
CONECT   26   25   25   27   49                                       
CONECT   27   26   28   28   50                                       
CONECT   28   27   27   23   51                                       
CONECT   29    6                                                      
CONECT   30    9                                                      
CONECT   31   10                                                      
CONECT   32   11                                                      
CONECT   33   13                                                      
CONECT   34   13                                                      
CONECT   35   15                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
CONECT   38   16                                                      
CONECT   39   17                                                      
CONECT   40   17                                                      
CONECT   41   19                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   21                                                      
CONECT   47   24                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
CONECT   50   27                                                      
CONECT   51   28                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
