COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.588  -3.541   0.054  1.00  0.00           C  
HETATM    2  O   UNL     1       3.430  -2.707   0.116  1.00  0.00           O  
HETATM    3  C   UNL     1       3.631  -1.367   0.043  1.00  0.00           C  
HETATM    4  C   UNL     1       4.912  -0.863  -0.091  1.00  0.00           C  
HETATM    5  C   UNL     1       5.112   0.510  -0.166  1.00  0.00           C  
HETATM    6  N   UNL     1       6.400   1.017  -0.301  1.00  0.00           N  
HETATM    7  C   UNL     1       7.544   0.104  -0.365  1.00  0.00           C  
HETATM    8  C   UNL     1       4.025   1.382  -0.105  1.00  0.00           C  
HETATM    9 CL   UNL     1       4.286   3.095  -0.200  1.00  0.00          Cl  
HETATM   10  C   UNL     1       2.756   0.894   0.026  1.00  0.00           C  
HETATM   11  C   UNL     1       2.539  -0.486   0.098  1.00  0.00           C  
HETATM   12  C   UNL     1       1.171  -1.013   0.235  1.00  0.00           C  
HETATM   13  O   UNL     1       0.985  -2.213   0.301  1.00  0.00           O  
HETATM   14  N   UNL     1       0.125  -0.165   0.287  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.236  -0.689   0.424  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.190   0.402   0.955  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.598   1.787   0.686  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.835  -1.030  -0.966  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.354  -0.890  -0.696  1.00  0.00           C  
HETATM   20  N   UNL     1      -3.468   0.253   0.235  1.00  0.00           N  
HETATM   21  C   UNL     1      -4.582   0.059   1.173  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.888   0.157   0.428  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.515   1.382   0.290  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.714   1.471  -0.393  1.00  0.00           C  
HETATM   25  C   UNL     1      -8.286   0.337  -0.937  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.659  -0.887  -0.799  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.457  -0.976  -0.121  1.00  0.00           C  
HETATM   28  H   UNL     1       5.255  -3.299   0.882  1.00  0.00           H  
HETATM   29  H   UNL     1       4.287  -4.587   0.123  1.00  0.00           H  
HETATM   30  H   UNL     1       5.106  -3.374  -0.890  1.00  0.00           H  
HETATM   31  H   UNL     1       5.756  -1.535  -0.137  1.00  0.00           H  
HETATM   32  H   UNL     1       6.542   1.975  -0.353  1.00  0.00           H  
HETATM   33  H   UNL     1       8.463   0.679  -0.470  1.00  0.00           H  
HETATM   34  H   UNL     1       7.588  -0.487   0.550  1.00  0.00           H  
HETATM   35  H   UNL     1       7.431  -0.561  -1.222  1.00  0.00           H  
HETATM   36  H   UNL     1       1.919   1.575   0.072  1.00  0.00           H  
HETATM   37  H   UNL     1       0.273   0.792   0.235  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.247  -1.564   1.073  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.349   0.266   2.025  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.283   2.552   1.051  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.642   1.880   1.200  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.448   1.915  -0.386  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.505  -0.314  -1.719  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.582  -2.048  -1.261  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.887  -0.679  -1.623  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.742  -1.798  -0.234  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.500  -0.924   1.636  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.545   0.828   1.945  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.068   2.268   0.715  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.203   2.428  -0.500  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.222   0.407  -1.470  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.106  -1.774  -1.224  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.966  -1.932  -0.016  1.00  0.00           H  
CONECT    1    2   28   29   30                                       
CONECT    2    1    3                                                 
CONECT    3    2   11   11    4                                       
CONECT    4    3    5    5   31                                       
CONECT    5    4    4    8    6                                       
CONECT    6    5    7   32                                            
CONECT    7    6   33   34   35                                       
CONECT    8   10   10    5    9                                       
CONECT    9    8                                                      
CONECT   10   11    8    8   36                                       
CONECT   11   12    3    3   10                                       
CONECT   12   14   13   13   11                                       
CONECT   13   12   12                                                 
CONECT   14   15   12   37                                            
CONECT   15   16   18   14   38                                       
CONECT   16   17   20   15   39                                       
CONECT   17   16   40   41   42                                       
CONECT   18   19   15   43   44                                       
CONECT   19   20   18   45   46                                       
CONECT   20   21   16   19                                            
CONECT   21   22   20   47   48                                       
CONECT   22   23   21   27   27                                       
CONECT   23   24   24   22   49                                       
CONECT   24   23   23   25   50                                       
CONECT   25   24   26   26   51                                       
CONECT   26   25   25   27   52                                       
CONECT   27   22   22   26   53                                       
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    4                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36   10                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   17                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   19                                                      
CONECT   47   21                                                      
CONECT   48   21                                                      
CONECT   49   23                                                      
CONECT   50   24                                                      
CONECT   51   25                                                      
CONECT   52   26                                                      
CONECT   53   27                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
