COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.973   1.112  -1.360  1.00  0.00           C  
HETATM    2  C   UNL     1      -8.229  -0.875   0.566  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.124   0.412  -0.684  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.463  -1.549  -0.368  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.943   0.442   0.875  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.410  -0.904  -0.993  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.886   1.084   0.254  1.00  0.00           C  
HETATM    8  O   UNL     1      11.682  -0.551   0.043  1.00  0.00           O  
HETATM    9  C   UNL     1      10.483  -0.351   0.069  1.00  0.00           C  
HETATM   10  O   UNL     1       9.543  -1.299   0.203  1.00  0.00           O  
HETATM   11  C   UNL     1       8.320  -0.714   0.191  1.00  0.00           C  
HETATM   12  C   UNL     1       7.036  -1.214   0.293  1.00  0.00           C  
HETATM   13  N   UNL     1       9.894   0.857  -0.024  1.00  0.00           N  
HETATM   14  C   UNL     1       8.520   0.661   0.044  1.00  0.00           C  
HETATM   15  C   UNL     1       7.434   1.527  -0.002  1.00  0.00           C  
HETATM   16  C   UNL     1       6.162   1.038   0.097  1.00  0.00           C  
HETATM   17  C   UNL     1       5.946  -0.338   0.247  1.00  0.00           C  
HETATM   18  C   UNL     1       4.578  -0.860   0.354  1.00  0.00           C  
HETATM   19  O   UNL     1       4.392  -2.052   0.482  1.00  0.00           O  
HETATM   20  C   UNL     1       3.405   0.084   0.305  1.00  0.00           C  
HETATM   21  C   UNL     1       2.104  -0.711   0.436  1.00  0.00           C  
HETATM   22  N   UNL     1       0.961   0.210   0.388  1.00  0.00           N  
HETATM   23  C   UNL     1       0.855   0.850  -0.930  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.230   1.931  -0.884  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.286  -0.479   0.747  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.419   0.547   0.861  1.00  0.00           C  
HETATM   27  N   UNL     1      -1.474   1.323  -0.387  1.00  0.00           N  
HETATM   28  C   UNL     1      -2.634   1.473  -1.057  1.00  0.00           C  
HETATM   29  O   UNL     1      -2.661   2.118  -2.087  1.00  0.00           O  
HETATM   30  O   UNL     1      -3.761   0.909  -0.586  1.00  0.00           O  
HETATM   31 CL   UNL     1      -7.822  -3.202  -0.757  1.00  0.00          Cl  
HETATM   32 CL   UNL     1      -8.909   1.290   2.042  1.00  0.00          Cl  
HETATM   33  H   UNL     1      -4.838   0.704  -2.361  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.186   2.179  -1.428  1.00  0.00           H  
HETATM   35  H   UNL     1      -9.054  -1.377   1.051  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.812  -1.430  -1.722  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.662   2.112   0.495  1.00  0.00           H  
HETATM   38  H   UNL     1       6.875  -2.276   0.407  1.00  0.00           H  
HETATM   39  H   UNL     1      10.347   1.709  -0.124  1.00  0.00           H  
HETATM   40  H   UNL     1       7.595   2.589  -0.116  1.00  0.00           H  
HETATM   41  H   UNL     1       5.321   1.715   0.061  1.00  0.00           H  
HETATM   42  H   UNL     1       3.479   0.799   1.125  1.00  0.00           H  
HETATM   43  H   UNL     1       3.409   0.619  -0.645  1.00  0.00           H  
HETATM   44  H   UNL     1       2.030  -1.425  -0.384  1.00  0.00           H  
HETATM   45  H   UNL     1       2.100  -1.246   1.386  1.00  0.00           H  
HETATM   46  H   UNL     1       1.811   1.306  -1.190  1.00  0.00           H  
HETATM   47  H   UNL     1       0.593   0.102  -1.678  1.00  0.00           H  
HETATM   48  H   UNL     1       0.079   2.732  -0.213  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.393   2.329  -1.886  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.533  -1.209  -0.024  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.158  -0.988   1.702  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.366   0.030   1.014  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.225   1.213   1.702  1.00  0.00           H  
CONECT    1   30    3   33   34                                       
CONECT    2    4    4    5   35                                       
CONECT    3    6    6    7    1                                       
CONECT    4   31    2    2    6                                       
CONECT    5    2   32    7    7                                       
CONECT    6    4    3    3   36                                       
CONECT    7    5    5    3   37                                       
CONECT    8    9    9                                                 
CONECT    9    8    8   10   13                                       
CONECT   10    9   11                                                 
CONECT   11   10   14   14   12                                       
CONECT   12   11   17   17   38                                       
CONECT   13    9   14   39                                            
CONECT   14   13   11   11   15                                       
CONECT   15   14   16   16   40                                       
CONECT   16   15   15   17   41                                       
CONECT   17   12   12   16   18                                       
CONECT   18   17   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   21   42   43                                       
CONECT   21   20   22   44   45                                       
CONECT   22   21   23   25                                            
CONECT   23   22   24   46   47                                       
CONECT   24   23   27   48   49                                       
CONECT   25   22   26   50   51                                       
CONECT   26   25   27   52   53                                       
CONECT   27   24   26   28                                            
CONECT   28   27   30   29   29                                       
CONECT   29   28   28                                                 
CONECT   30   28    1                                                 
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   20                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   21                                                      
CONECT   46   23                                                      
CONECT   47   23                                                      
CONECT   48   24                                                      
CONECT   49   24                                                      
CONECT   50   25                                                      
CONECT   51   25                                                      
CONECT   52   26                                                      
CONECT   53   26                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
