COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.376  -2.095  -2.503  1.00  0.00           C  
HETATM    2  C   UNL     1       2.399  -2.941  -1.682  1.00  0.00           C  
HETATM    3  C   UNL     1       2.312  -4.345  -2.283  1.00  0.00           C  
HETATM    4  C   UNL     1       2.887  -3.033  -0.260  1.00  0.00           C  
HETATM    5  C   UNL     1       4.124  -3.585   0.013  1.00  0.00           C  
HETATM    6  C   UNL     1       4.573  -3.670   1.318  1.00  0.00           C  
HETATM    7  C   UNL     1       3.785  -3.202   2.355  1.00  0.00           C  
HETATM    8  C   UNL     1       2.548  -2.649   2.089  1.00  0.00           C  
HETATM    9  C   UNL     1       2.097  -2.558   0.778  1.00  0.00           C  
HETATM   10  N   UNL     1       0.845  -1.993   0.505  1.00  0.00           N  
HETATM   11  C   UNL     1       0.739  -0.634   0.265  1.00  0.00           C  
HETATM   12  C   UNL     1       1.845   0.199   0.287  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.250  -2.773   0.471  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.122  -3.967   0.683  1.00  0.00           O  
HETATM   15  N   UNL     1      -1.468  -2.299   0.217  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.682  -1.014  -0.022  1.00  0.00           C  
HETATM   17  N   UNL     1      -2.946  -0.550  -0.281  1.00  0.00           N  
HETATM   18  C   UNL     1      -3.901  -1.368  -1.042  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.177  -1.534  -0.207  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.372   0.771   0.202  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.649   0.600   1.034  1.00  0.00           C  
HETATM   22  N   UNL     1      -5.602  -0.211   0.271  1.00  0.00           N  
HETATM   23  C   UNL     1      -6.844   0.245   0.016  1.00  0.00           C  
HETATM   24  O   UNL     1      -7.623  -0.439  -0.613  1.00  0.00           O  
HETATM   25  C   UNL     1      -7.265   1.604   0.513  1.00  0.00           C  
HETATM   26  C   UNL     1      -8.710   1.876   0.091  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.535  -0.097  -0.007  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.682   1.269  -0.253  1.00  0.00           C  
HETATM   29  C   UNL     1       0.413   2.085  -0.229  1.00  0.00           C  
HETATM   30 CL   UNL     1       0.230   3.783  -0.535  1.00  0.00          Cl  
HETATM   31  C   UNL     1       1.683   1.560   0.039  1.00  0.00           C  
HETATM   32  C   UNL     1       2.861   2.457   0.062  1.00  0.00           C  
HETATM   33  C   UNL     1       3.590   2.688  -1.106  1.00  0.00           C  
HETATM   34  F   UNL     1       3.222   2.093  -2.262  1.00  0.00           F  
HETATM   35  C   UNL     1       4.688   3.527  -1.079  1.00  0.00           C  
HETATM   36  C   UNL     1       5.067   4.139   0.103  1.00  0.00           C  
HETATM   37  C   UNL     1       4.352   3.917   1.265  1.00  0.00           C  
HETATM   38  C   UNL     1       3.246   3.083   1.252  1.00  0.00           C  
HETATM   39  O   UNL     1       2.541   2.869   2.393  1.00  0.00           O  
HETATM   40  H   UNL     1       3.023  -2.029  -3.532  1.00  0.00           H  
HETATM   41  H   UNL     1       3.438  -1.095  -2.074  1.00  0.00           H  
HETATM   42  H   UNL     1       4.362  -2.560  -2.486  1.00  0.00           H  
HETATM   43  H   UNL     1       1.414  -2.477  -1.699  1.00  0.00           H  
HETATM   44  H   UNL     1       3.298  -4.810  -2.267  1.00  0.00           H  
HETATM   45  H   UNL     1       1.616  -4.948  -1.699  1.00  0.00           H  
HETATM   46  H   UNL     1       1.959  -4.279  -3.313  1.00  0.00           H  
HETATM   47  H   UNL     1       4.741  -3.951  -0.794  1.00  0.00           H  
HETATM   48  H   UNL     1       5.540  -4.102   1.528  1.00  0.00           H  
HETATM   49  H   UNL     1       4.138  -3.270   3.373  1.00  0.00           H  
HETATM   50  H   UNL     1       1.934  -2.285   2.899  1.00  0.00           H  
HETATM   51  H   UNL     1       2.825  -0.203   0.495  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.141  -0.871  -1.982  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.466  -2.347  -1.243  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.964  -1.970  -0.824  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.976  -2.184   0.645  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.587   1.204   0.822  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.573   1.424  -0.647  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.411   0.100   1.972  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.086   1.578   1.238  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.192   1.632   1.600  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.612   2.365   0.085  1.00  0.00           H  
HETATM   62  H   UNL     1      -9.363   1.115   0.519  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.015   2.859   0.451  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.783   1.848  -0.996  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.659   1.680  -0.462  1.00  0.00           H  
HETATM   66  H   UNL     1       5.252   3.706  -1.982  1.00  0.00           H  
HETATM   67  H   UNL     1       5.926   4.793   0.118  1.00  0.00           H  
HETATM   68  H   UNL     1       4.654   4.398   2.184  1.00  0.00           H  
HETATM   69  H   UNL     1       2.856   2.120   2.916  1.00  0.00           H  
CONECT    1    2   40   41   42                                       
CONECT    2    3    4    1   43                                       
CONECT    3    2   44   45   46                                       
CONECT    4    5    2    9    9                                       
CONECT    5    6    6    4   47                                       
CONECT    6    5    5    7   48                                       
CONECT    7    6    8    8   49                                       
CONECT    8    7    7    9   50                                       
CONECT    9    4    4    8   10                                       
CONECT   10    9   13   11                                            
CONECT   11   10   12   12   27                                       
CONECT   12   11   11   31   51                                       
CONECT   13   14   14   10   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   16   16                                            
CONECT   16   15   15   27   17                                       
CONECT   17   16   20   18                                            
CONECT   18   17   19   52   53                                       
CONECT   19   18   22   54   55                                       
CONECT   20   17   21   56   57                                       
CONECT   21   20   22   58   59                                       
CONECT   22   21   19   23                                            
CONECT   23   22   25   24   24                                       
CONECT   24   23   23                                                 
CONECT   25   26   23   60   61                                       
CONECT   26   25   62   63   64                                       
CONECT   27   11   16   28   28                                       
CONECT   28   27   27   29   65                                       
CONECT   29   31   31   28   30                                       
CONECT   30   29                                                      
CONECT   31   12   32   29   29                                       
CONECT   32   31   38   38   33                                       
CONECT   33   32   34   35   35                                       
CONECT   34   33                                                      
CONECT   35   33   33   36   66                                       
CONECT   36   37   37   35   67                                       
CONECT   37   38   36   36   68                                       
CONECT   38   39   32   32   37                                       
CONECT   39   38   69                                                 
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    2                                                      
CONECT   44    3                                                      
CONECT   45    3                                                      
CONECT   46    3                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49    7                                                      
CONECT   50    8                                                      
CONECT   51   12                                                      
CONECT   52   18                                                      
CONECT   53   18                                                      
CONECT   54   19                                                      
CONECT   55   19                                                      
CONECT   56   20                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   21                                                      
CONECT   60   25                                                      
CONECT   61   25                                                      
CONECT   62   26                                                      
CONECT   63   26                                                      
CONECT   64   26                                                      
CONECT   65   28                                                      
CONECT   66   35                                                      
CONECT   67   36                                                      
CONECT   68   37                                                      
CONECT   69   39                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
