COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -11.227   1.062  -0.253  1.00  0.00           C  
HETATM    2  C   UNL     1     -11.914  -0.079  -1.008  1.00  0.00           C  
HETATM    3  O   UNL     1     -12.037  -1.211  -0.142  1.00  0.00           O  
HETATM    4  C   UNL     1     -10.787  -1.689   0.362  1.00  0.00           C  
HETATM    5  C   UNL     1     -10.089  -0.564   1.131  1.00  0.00           C  
HETATM    6  N   UNL     1      -9.924   0.598   0.246  1.00  0.00           N  
HETATM    7  C   UNL     1      -9.206   1.683   0.930  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.735   1.296   1.094  1.00  0.00           C  
HETATM    9  O   UNL     1      -7.110   1.245  -0.190  1.00  0.00           O  
HETATM   10  C   UNL     1      -5.794   0.914  -0.222  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.146   0.851  -1.436  1.00  0.00           C  
HETATM   12  N   UNL     1      -5.161   0.663   0.920  1.00  0.00           N  
HETATM   13  C   UNL     1      -3.889   0.337   0.965  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.146   0.242  -0.217  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.784   0.507  -1.457  1.00  0.00           C  
HETATM   16  N   UNL     1      -3.094   0.428  -2.596  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.820   0.106  -2.605  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.125  -0.169  -1.436  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.777  -0.105  -0.215  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.122  -0.363   0.942  1.00  0.00           O  
HETATM   21  C   UNL     1       0.218  -0.586   0.882  1.00  0.00           C  
HETATM   22  C   UNL     1       1.100   0.487   0.845  1.00  0.00           C  
HETATM   23  F   UNL     1       0.627   1.752   0.869  1.00  0.00           F  
HETATM   24  C   UNL     1       2.462   0.260   0.783  1.00  0.00           C  
HETATM   25  C   UNL     1       0.704  -1.884   0.863  1.00  0.00           C  
HETATM   26  C   UNL     1       2.065  -2.112   0.801  1.00  0.00           C  
HETATM   27  C   UNL     1       2.948  -1.041   0.758  1.00  0.00           C  
HETATM   28  N   UNL     1       4.328  -1.273   0.695  1.00  0.00           N  
HETATM   29  C   UNL     1       4.812  -2.248  -0.099  1.00  0.00           C  
HETATM   30  O   UNL     1       4.060  -2.880  -0.811  1.00  0.00           O  
HETATM   31  C   UNL     1       6.288  -2.553  -0.104  1.00  0.00           C  
HETATM   32  C   UNL     1       6.731  -3.889  -0.704  1.00  0.00           C  
HETATM   33  C   UNL     1       6.780  -3.677   0.811  1.00  0.00           C  
HETATM   34  C   UNL     1       7.196  -1.367  -0.299  1.00  0.00           C  
HETATM   35  O   UNL     1       7.985  -1.353  -1.220  1.00  0.00           O  
HETATM   36  N   UNL     1       7.131  -0.322   0.549  1.00  0.00           N  
HETATM   37  C   UNL     1       7.919   0.814   0.322  1.00  0.00           C  
HETATM   38  C   UNL     1       8.542   1.452   1.387  1.00  0.00           C  
HETATM   39  C   UNL     1       9.319   2.571   1.161  1.00  0.00           C  
HETATM   40  C   UNL     1       9.476   3.057  -0.126  1.00  0.00           C  
HETATM   41  F   UNL     1      10.237   4.152  -0.345  1.00  0.00           F  
HETATM   42  C   UNL     1       8.856   2.423  -1.189  1.00  0.00           C  
HETATM   43  C   UNL     1       8.083   1.300  -0.968  1.00  0.00           C  
HETATM   44  H   UNL     1     -11.079   1.907  -0.926  1.00  0.00           H  
HETATM   45  H   UNL     1     -11.850   1.370   0.586  1.00  0.00           H  
HETATM   46  H   UNL     1     -12.904   0.242  -1.331  1.00  0.00           H  
HETATM   47  H   UNL     1     -11.317  -0.350  -1.879  1.00  0.00           H  
HETATM   48  H   UNL     1     -10.963  -2.532   1.031  1.00  0.00           H  
HETATM   49  H   UNL     1     -10.158  -2.008  -0.468  1.00  0.00           H  
HETATM   50  H   UNL     1     -10.694  -0.282   1.993  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.111  -0.906   1.469  1.00  0.00           H  
HETATM   52  H   UNL     1      -9.278   2.595   0.338  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.649   1.850   1.911  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.231   2.037   1.714  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.667   0.318   1.570  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.675   1.062  -2.354  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.416   0.143   1.917  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.299   0.053  -3.550  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.078  -0.431  -1.477  1.00  0.00           H  
HETATM   60  H   UNL     1       3.149   1.093   0.754  1.00  0.00           H  
HETATM   61  H   UNL     1       0.018  -2.718   0.896  1.00  0.00           H  
HETATM   62  H   UNL     1       2.443  -3.124   0.787  1.00  0.00           H  
HETATM   63  H   UNL     1       4.935  -0.731   1.223  1.00  0.00           H  
HETATM   64  H   UNL     1       5.955  -4.547  -1.096  1.00  0.00           H  
HETATM   65  H   UNL     1       7.680  -3.910  -1.240  1.00  0.00           H  
HETATM   66  H   UNL     1       7.760  -3.558   1.271  1.00  0.00           H  
HETATM   67  H   UNL     1       6.036  -4.195   1.416  1.00  0.00           H  
HETATM   68  H   UNL     1       6.540  -0.356   1.316  1.00  0.00           H  
HETATM   69  H   UNL     1       8.419   1.073   2.390  1.00  0.00           H  
HETATM   70  H   UNL     1       9.803   3.068   1.988  1.00  0.00           H  
HETATM   71  H   UNL     1       8.980   2.804  -2.192  1.00  0.00           H  
HETATM   72  H   UNL     1       7.602   0.803  -1.798  1.00  0.00           H  
CONECT    1    6    2   44   45                                       
CONECT    2    1    3   46   47                                       
CONECT    3    4    2                                                 
CONECT    4    5    3   48   49                                       
CONECT    5    6    4   50   51                                       
CONECT    6    7    5    1                                            
CONECT    7    8    6   52   53                                       
CONECT    8    7    9   54   55                                       
CONECT    9    8   10                                                 
CONECT   10   12    9   11   11                                       
CONECT   11   10   10   15   56                                       
CONECT   12   13   13   10                                            
CONECT   13   12   12   14   57                                       
CONECT   14   13   19   19   15                                       
CONECT   15   14   11   16   16                                       
CONECT   16   15   15   17                                            
CONECT   17   18   18   16   58                                       
CONECT   18   19   17   17   59                                       
CONECT   19   20   14   14   18                                       
CONECT   20   19   21                                                 
CONECT   21   22   20   25   25                                       
CONECT   22   23   24   24   21                                       
CONECT   23   22                                                      
CONECT   24   22   22   27   60                                       
CONECT   25   21   21   26   61                                       
CONECT   26   27   27   25   62                                       
CONECT   27   24   28   26   26                                       
CONECT   28   29   27   63                                            
CONECT   29   30   30   28   31                                       
CONECT   30   29   29                                                 
CONECT   31   33   29   32   34                                       
CONECT   32   33   31   64   65                                       
CONECT   33   32   31   66   67                                       
CONECT   34   31   35   35   36                                       
CONECT   35   34   34                                                 
CONECT   36   34   37   68                                            
CONECT   37   36   38   38   43                                       
CONECT   38   37   37   39   69                                       
CONECT   39   38   40   40   70                                       
CONECT   40   39   39   42   41                                       
CONECT   41   40                                                      
CONECT   42   43   43   40   71                                       
CONECT   43   37   42   42   72                                       
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    2                                                      
CONECT   47    2                                                      
CONECT   48    4                                                      
CONECT   49    4                                                      
CONECT   50    5                                                      
CONECT   51    5                                                      
CONECT   52    7                                                      
CONECT   53    7                                                      
CONECT   54    8                                                      
CONECT   55    8                                                      
CONECT   56   11                                                      
CONECT   57   13                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   24                                                      
CONECT   61   25                                                      
CONECT   62   26                                                      
CONECT   63   28                                                      
CONECT   64   32                                                      
CONECT   65   32                                                      
CONECT   66   33                                                      
CONECT   67   33                                                      
CONECT   68   36                                                      
CONECT   69   38                                                      
CONECT   70   39                                                      
CONECT   71   42                                                      
CONECT   72   43                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
