COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.760   2.809   1.382  1.00  0.00           C  
HETATM    2  C   UNL     1       7.197   2.367  -0.016  1.00  0.00           C  
HETATM    3  C   UNL     1       8.723   2.412  -0.112  1.00  0.00           C  
HETATM    4  C   UNL     1       6.718   0.961  -0.271  1.00  0.00           C  
HETATM    5  O   UNL     1       7.516   0.084  -0.505  1.00  0.00           O  
HETATM    6  O   UNL     1       5.406   0.683  -0.238  1.00  0.00           O  
HETATM    7  C   UNL     1       5.017  -0.693  -0.493  1.00  0.00           C  
HETATM    8  C   UNL     1       3.517  -0.814  -0.415  1.00  0.00           C  
HETATM    9  C   UNL     1       2.973  -1.806   0.245  1.00  0.00           C  
HETATM   10  C   UNL     1       3.842  -2.897   0.815  1.00  0.00           C  
HETATM   11  C   UNL     1       1.479  -1.855   0.435  1.00  0.00           C  
HETATM   12  C   UNL     1       0.854  -2.722  -0.660  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.640  -2.772  -0.470  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.247  -3.779   0.473  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.411  -1.939  -1.124  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.909  -2.043  -0.998  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.465  -0.728  -0.516  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.841   0.242  -1.428  1.00  0.00           C  
HETATM   19  O   UNL     1      -3.711   0.013  -2.759  1.00  0.00           O  
HETATM   20  C   UNL     1      -4.359   1.466  -0.968  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.761   2.500  -1.924  1.00  0.00           C  
HETATM   22  O   UNL     1      -4.648   2.303  -3.116  1.00  0.00           O  
HETATM   23  C   UNL     1      -4.490   1.690   0.409  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.045   2.999   0.910  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.115   0.724   1.298  1.00  0.00           C  
HETATM   26 CL   UNL     1      -4.279   1.008   3.002  1.00  0.00          Cl  
HETATM   27  C   UNL     1      -3.606  -0.491   0.844  1.00  0.00           C  
HETATM   28  O   UNL     1      -3.237  -1.444   1.737  1.00  0.00           O  
HETATM   29  H   UNL     1       5.673   2.778   1.450  1.00  0.00           H  
HETATM   30  H   UNL     1       7.190   2.139   2.126  1.00  0.00           H  
HETATM   31  H   UNL     1       7.107   3.826   1.566  1.00  0.00           H  
HETATM   32  H   UNL     1       6.767   3.038  -0.760  1.00  0.00           H  
HETATM   33  H   UNL     1       9.153   1.741   0.632  1.00  0.00           H  
HETATM   34  H   UNL     1       9.035   2.097  -1.108  1.00  0.00           H  
HETATM   35  H   UNL     1       9.070   3.429   0.072  1.00  0.00           H  
HETATM   36  H   UNL     1       5.354  -0.988  -1.487  1.00  0.00           H  
HETATM   37  H   UNL     1       5.473  -1.343   0.253  1.00  0.00           H  
HETATM   38  H   UNL     1       2.890  -0.082  -0.904  1.00  0.00           H  
HETATM   39  H   UNL     1       4.220  -2.589   1.790  1.00  0.00           H  
HETATM   40  H   UNL     1       3.254  -3.809   0.925  1.00  0.00           H  
HETATM   41  H   UNL     1       4.679  -3.084   0.143  1.00  0.00           H  
HETATM   42  H   UNL     1       1.251  -2.283   1.412  1.00  0.00           H  
HETATM   43  H   UNL     1       1.071  -0.846   0.376  1.00  0.00           H  
HETATM   44  H   UNL     1       1.082  -2.295  -1.636  1.00  0.00           H  
HETATM   45  H   UNL     1       1.262  -3.732  -0.601  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.452  -4.333   0.973  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.852  -3.261   1.217  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.874  -4.471  -0.089  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.974  -1.179  -1.754  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.340  -2.285  -1.970  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.161  -2.828  -0.285  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.490  -0.390  -3.167  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.159   3.439  -1.568  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.128   2.922   1.005  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.610   3.230   1.882  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.797   3.792   0.204  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.947  -2.055   1.977  1.00  0.00           H  
CONECT    1    2   29   30   31                                       
CONECT    2    4    3    1   32                                       
CONECT    3    2   33   34   35                                       
CONECT    4    6    5    5    2                                       
CONECT    5    4    4                                                 
CONECT    6    7    4                                                 
CONECT    7    8    6   36   37                                       
CONECT    8    9    9    7   38                                       
CONECT    9   11    8    8   10                                       
CONECT   10    9   39   40   41                                       
CONECT   11   12    9   42   43                                       
CONECT   12   11   13   44   45                                       
CONECT   13   14   12   15   15                                       
CONECT   14   13   46   47   48                                       
CONECT   15   13   13   16   49                                       
CONECT   16   15   17   50   51                                       
CONECT   17   27   16   18   18                                       
CONECT   18   17   17   20   19                                       
CONECT   19   18   52                                                 
CONECT   20   23   23   18   21                                       
CONECT   21   20   22   22   53                                       
CONECT   22   21   21                                                 
CONECT   23   25   24   20   20                                       
CONECT   24   23   54   55   56                                       
CONECT   25   26   27   27   23                                       
CONECT   26   25                                                      
CONECT   27   28   25   25   17                                       
CONECT   28   27   57                                                 
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    3                                                      
CONECT   34    3                                                      
CONECT   35    3                                                      
CONECT   36    7                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39   10                                                      
CONECT   40   10                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   12                                                      
CONECT   46   14                                                      
CONECT   47   14                                                      
CONECT   48   14                                                      
CONECT   49   15                                                      
CONECT   50   16                                                      
CONECT   51   16                                                      
CONECT   52   19                                                      
CONECT   53   21                                                      
CONECT   54   24                                                      
CONECT   55   24                                                      
CONECT   56   24                                                      
CONECT   57   28                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
