COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.279  -0.426   0.712  1.00  0.00           C  
HETATM    2  O   UNL     1       4.517   0.396   1.599  1.00  0.00           O  
HETATM    3  C   UNL     1       3.838   1.436   1.045  1.00  0.00           C  
HETATM    4  C   UNL     1       4.449   2.680   0.917  1.00  0.00           C  
HETATM    5  O   UNL     1       5.727   2.858   1.346  1.00  0.00           O  
HETATM    6  C   UNL     1       6.290   4.162   1.183  1.00  0.00           C  
HETATM    7  C   UNL     1       3.752   3.736   0.352  1.00  0.00           C  
HETATM    8  C   UNL     1       2.453   3.553  -0.084  1.00  0.00           C  
HETATM    9  C   UNL     1       1.846   2.317   0.043  1.00  0.00           C  
HETATM   10  C   UNL     1       2.537   1.258   0.601  1.00  0.00           C  
HETATM   11  C   UNL     1       1.874  -0.089   0.732  1.00  0.00           C  
HETATM   12  C   UNL     1       2.333  -0.961  -0.399  1.00  0.00           C  
HETATM   13  O   UNL     1       0.451   0.102   0.774  1.00  0.00           O  
HETATM   14  C   UNL     1      -0.286  -1.106   0.538  1.00  0.00           C  
HETATM   15  C   UNL     1       0.359  -2.258   1.256  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.063  -2.904   2.355  1.00  0.00           C  
HETATM   17  C   UNL     1       0.879  -3.918   2.636  1.00  0.00           C  
HETATM   18  C   UNL     1       1.846  -3.849   1.693  1.00  0.00           C  
HETATM   19  N   UNL     1       1.533  -2.835   0.853  1.00  0.00           N  
HETATM   20  C   UNL     1       2.209  -2.344  -0.275  1.00  0.00           C  
HETATM   21  C   UNL     1       2.710  -3.182  -1.253  1.00  0.00           C  
HETATM   22  C   UNL     1       3.299  -2.639  -2.381  1.00  0.00           C  
HETATM   23  C   UNL     1       3.383  -1.266  -2.526  1.00  0.00           C  
HETATM   24  C   UNL     1       2.900  -0.426  -1.536  1.00  0.00           C  
HETATM   25 CL   UNL     1       4.097  -0.591  -3.957  1.00  0.00          Cl  
HETATM   26  C   UNL     1      -1.719  -0.932   1.044  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.414   0.127   0.228  1.00  0.00           C  
HETATM   28  O   UNL     1      -1.822   0.688  -0.670  1.00  0.00           O  
HETATM   29  N   UNL     1      -3.695   0.452   0.496  1.00  0.00           N  
HETATM   30  C   UNL     1      -4.424  -0.214   1.584  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.730  -0.786   1.025  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.516   0.330   0.333  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.695   0.887  -0.833  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.386   1.482  -0.291  1.00  0.00           C  
HETATM   35  C   UNL     1      -7.837  -0.230  -0.197  1.00  0.00           C  
HETATM   36  C   UNL     1      -8.665   0.891  -0.770  1.00  0.00           C  
HETATM   37  O   UNL     1      -9.873   0.634  -1.296  1.00  0.00           O  
HETATM   38  O   UNL     1      -8.241   2.023  -0.756  1.00  0.00           O  
HETATM   39  H   UNL     1       5.770  -1.216   1.281  1.00  0.00           H  
HETATM   40  H   UNL     1       4.616  -0.872  -0.030  1.00  0.00           H  
HETATM   41  H   UNL     1       6.031   0.181   0.209  1.00  0.00           H  
HETATM   42  H   UNL     1       7.311   4.167   1.565  1.00  0.00           H  
HETATM   43  H   UNL     1       6.296   4.425   0.126  1.00  0.00           H  
HETATM   44  H   UNL     1       5.692   4.887   1.735  1.00  0.00           H  
HETATM   45  H   UNL     1       4.224   4.702   0.252  1.00  0.00           H  
HETATM   46  H   UNL     1       1.911   4.377  -0.524  1.00  0.00           H  
HETATM   47  H   UNL     1       0.831   2.178  -0.299  1.00  0.00           H  
HETATM   48  H   UNL     1       2.192  -0.543   1.671  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.303  -1.315  -0.532  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.958  -2.688   2.920  1.00  0.00           H  
HETATM   51  H   UNL     1       0.836  -4.620   3.456  1.00  0.00           H  
HETATM   52  H   UNL     1       2.713  -4.489   1.622  1.00  0.00           H  
HETATM   53  H   UNL     1       2.643  -4.253  -1.136  1.00  0.00           H  
HETATM   54  H   UNL     1       3.693  -3.288  -3.149  1.00  0.00           H  
HETATM   55  H   UNL     1       2.968   0.645  -1.655  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.256  -1.876   0.947  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.700  -0.630   2.091  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.815  -1.022   1.991  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.648   0.509   2.369  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.504  -1.572   0.305  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.325  -1.198   1.840  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.720   1.128   1.047  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.469   0.085  -1.535  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.265   1.665  -1.340  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.607   2.340   0.345  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.753   1.794  -1.122  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.634  -0.966  -0.976  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.383  -0.705   0.618  1.00  0.00           H  
HETATM   69  H   UNL     1     -10.367   1.385  -1.651  1.00  0.00           H  
CONECT    1    2   39   40   41                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    4   10                                       
CONECT    4    5    3    3    7                                       
CONECT    5    6    4                                                 
CONECT    6    5   42   43   44                                       
CONECT    7    4    8    8   45                                       
CONECT    8    7    7    9   46                                       
CONECT    9   10   10    8   47                                       
CONECT   10    3   11    9    9                                       
CONECT   11   12   10   13   48                                       
CONECT   12   24   24   20   11                                       
CONECT   13   11   14                                                 
CONECT   14   15   13   26   49                                       
CONECT   15   19   16   16   14                                       
CONECT   16   17   15   15   50                                       
CONECT   17   18   18   16   51                                       
CONECT   18   19   17   17   52                                       
CONECT   19   20   18   15                                            
CONECT   20   21   21   12   19                                       
CONECT   21   22   20   20   53                                       
CONECT   22   23   23   21   54                                       
CONECT   23   25   22   22   24                                       
CONECT   24   23   12   12   55                                       
CONECT   25   23                                                      
CONECT   26   14   27   56   57                                       
CONECT   27   26   28   28   29                                       
CONECT   28   27   27                                                 
CONECT   29   27   34   30                                            
CONECT   30   29   31   58   59                                       
CONECT   31   30   32   60   61                                       
CONECT   32   33   31   35   62                                       
CONECT   33   34   32   63   64                                       
CONECT   34   29   33   65   66                                       
CONECT   35   32   36   67   68                                       
CONECT   36   35   38   38   37                                       
CONECT   37   36   69                                                 
CONECT   38   36   36                                                 
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48   11                                                      
CONECT   49   14                                                      
CONECT   50   16                                                      
CONECT   51   17                                                      
CONECT   52   18                                                      
CONECT   53   21                                                      
CONECT   54   22                                                      
CONECT   55   24                                                      
CONECT   56   26                                                      
CONECT   57   26                                                      
CONECT   58   30                                                      
CONECT   59   30                                                      
CONECT   60   31                                                      
CONECT   61   31                                                      
CONECT   62   32                                                      
CONECT   63   33                                                      
CONECT   64   33                                                      
CONECT   65   34                                                      
CONECT   66   34                                                      
CONECT   67   35                                                      
CONECT   68   35                                                      
CONECT   69   37                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
