COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.261  -0.217   1.843  1.00  0.00           C  
HETATM    2  O   UNL     1      -1.224  -0.639   2.979  1.00  0.00           O  
HETATM    3 CL   UNL     1      -6.722  -3.741   0.370  1.00  0.00          Cl  
HETATM    4  C   UNL     1      -5.954  -2.356  -0.341  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.647  -1.570  -1.245  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.038  -0.468  -1.812  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.730  -0.149  -1.474  1.00  0.00           C  
HETATM    8  O   UNL     1      -4.127   0.933  -2.035  1.00  0.00           O  
HETATM    9  C   UNL     1      -4.858   1.633  -3.043  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.652  -2.037   0.001  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.038  -0.938  -0.568  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.617  -0.594  -0.200  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.592   0.050   1.188  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.793   1.563   1.055  1.00  0.00           C  
HETATM   15  N   UNL     1      -2.094   2.037  -0.144  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.732   1.856  -0.265  1.00  0.00           C  
HETATM   17  N   UNL     1       0.052   2.872  -0.413  1.00  0.00           N  
HETATM   18  O   UNL     1      -0.487   4.182  -0.451  1.00  0.00           O  
HETATM   19  C   UNL     1       0.493   5.208  -0.619  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.198   6.573  -0.647  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.167   0.456  -0.222  1.00  0.00           C  
HETATM   22  N   UNL     1      -0.114   0.014   1.179  1.00  0.00           N  
HETATM   23  C   UNL     1       1.073  -0.166   1.790  1.00  0.00           C  
HETATM   24  O   UNL     1       1.112  -0.438   2.974  1.00  0.00           O  
HETATM   25  N   UNL     1       2.218  -0.045   1.089  1.00  0.00           N  
HETATM   26  C   UNL     1       3.505  -0.314   1.734  1.00  0.00           C  
HETATM   27  C   UNL     1       3.986   0.946   2.457  1.00  0.00           C  
HETATM   28  C   UNL     1       3.023   1.279   3.598  1.00  0.00           C  
HETATM   29  C   UNL     1       4.517  -0.711   0.691  1.00  0.00           C  
HETATM   30  C   UNL     1       5.418  -1.727   0.958  1.00  0.00           C  
HETATM   31  C   UNL     1       6.347  -2.096   0.007  1.00  0.00           C  
HETATM   32  C   UNL     1       4.536  -0.064  -0.532  1.00  0.00           C  
HETATM   33  C   UNL     1       5.460  -0.423  -1.492  1.00  0.00           C  
HETATM   34  C   UNL     1       6.376  -1.443  -1.227  1.00  0.00           C  
HETATM   35  C   UNL     1       7.369  -1.833  -2.249  1.00  0.00           C  
HETATM   36  O   UNL     1       7.388  -1.266  -3.324  1.00  0.00           O  
HETATM   37  O   UNL     1       8.252  -2.816  -1.991  1.00  0.00           O  
HETATM   38  H   UNL     1      -7.664  -1.819  -1.508  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.578   0.146  -2.517  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.793   2.004  -2.622  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.265   2.472  -3.406  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.076   0.957  -3.870  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.115  -2.649   0.710  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.014  -1.502  -0.190  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.211   0.105  -0.931  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.390  -0.372   1.800  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.857   1.782   0.967  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.390   2.063   1.935  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.589   2.479  -0.851  1.00  0.00           H  
HETATM   50  H   UNL     1       1.200   5.175   0.210  1.00  0.00           H  
HETATM   51  H   UNL     1       1.026   5.052  -1.557  1.00  0.00           H  
HETATM   52  H   UNL     1       0.550   7.356  -0.775  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.904   6.606  -1.477  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.731   6.729   0.291  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.807  -0.214  -0.796  1.00  0.00           H  
HETATM   56  H   UNL     1       0.838   0.455  -0.643  1.00  0.00           H  
HETATM   57  H   UNL     1       2.189   0.221   0.156  1.00  0.00           H  
HETATM   58  H   UNL     1       3.388  -1.123   2.454  1.00  0.00           H  
HETATM   59  H   UNL     1       4.983   0.774   2.862  1.00  0.00           H  
HETATM   60  H   UNL     1       4.018   1.778   1.754  1.00  0.00           H  
HETATM   61  H   UNL     1       2.025   1.451   3.193  1.00  0.00           H  
HETATM   62  H   UNL     1       2.990   0.446   4.301  1.00  0.00           H  
HETATM   63  H   UNL     1       3.365   2.176   4.113  1.00  0.00           H  
HETATM   64  H   UNL     1       5.395  -2.231   1.913  1.00  0.00           H  
HETATM   65  H   UNL     1       7.051  -2.888   0.217  1.00  0.00           H  
HETATM   66  H   UNL     1       3.827   0.725  -0.735  1.00  0.00           H  
HETATM   67  H   UNL     1       5.474   0.083  -2.445  1.00  0.00           H  
HETATM   68  H   UNL     1       8.881  -3.036  -2.691  1.00  0.00           H  
CONECT    1   22   13    2    2                                       
CONECT    2    1    1                                                 
CONECT    3    4                                                      
CONECT    4   10   10    5    3                                       
CONECT    5    6    6    4   38                                       
CONECT    6    7    5    5   39                                       
CONECT    7    8   11   11    6                                       
CONECT    8    9    7                                                 
CONECT    9    8   40   41   42                                       
CONECT   10   11    4    4   43                                       
CONECT   11   12    7    7   10                                       
CONECT   12   13   11   44   45                                       
CONECT   13    1   14   12   46                                       
CONECT   14   15   13   47   48                                       
CONECT   15   16   14   49                                            
CONECT   16   17   17   21   15                                       
CONECT   17   18   16   16                                            
CONECT   18   19   17                                                 
CONECT   19   20   18   50   51                                       
CONECT   20   19   52   53   54                                       
CONECT   21   16   22   55   56                                       
CONECT   22   21   23    1                                            
CONECT   23   24   24   25   22                                       
CONECT   24   23   23                                                 
CONECT   25   23   26   57                                            
CONECT   26   27   25   29   58                                       
CONECT   27   28   26   59   60                                       
CONECT   28   27   61   62   63                                       
CONECT   29   26   32   32   30                                       
CONECT   30   29   31   31   64                                       
CONECT   31   30   30   34   65                                       
CONECT   32   29   29   33   66                                       
CONECT   33   32   34   34   67                                       
CONECT   34   33   33   31   35                                       
CONECT   35   34   36   36   37                                       
CONECT   36   35   35                                                 
CONECT   37   35   68                                                 
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    9                                                      
CONECT   41    9                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   12                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   14                                                      
CONECT   49   15                                                      
CONECT   50   19                                                      
CONECT   51   19                                                      
CONECT   52   20                                                      
CONECT   53   20                                                      
CONECT   54   20                                                      
CONECT   55   21                                                      
CONECT   56   21                                                      
CONECT   57   25                                                      
CONECT   58   26                                                      
CONECT   59   27                                                      
CONECT   60   27                                                      
CONECT   61   28                                                      
CONECT   62   28                                                      
CONECT   63   28                                                      
CONECT   64   30                                                      
CONECT   65   31                                                      
CONECT   66   32                                                      
CONECT   67   33                                                      
CONECT   68   37                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
