COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.388  -2.682  -0.104  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.529  -4.884   0.145  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.474  -1.653   0.162  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.060  -1.806  -0.211  1.00  0.00           C  
HETATM    5  C   UNL     1       0.817  -0.812   0.047  1.00  0.00           C  
HETATM    6  C   UNL     1       2.223  -0.964  -0.324  1.00  0.00           C  
HETATM    7  C   UNL     1       3.475   1.848   1.356  1.00  0.00           C  
HETATM    8  N   UNL     1      -6.345   0.933   0.653  1.00  0.00           N  
HETATM    9  C   UNL     1      -5.434   1.883   0.222  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.142   1.918   0.751  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.711   0.925   1.800  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.240  -0.340   1.131  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.144  -1.355   0.863  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.724  -2.523   0.249  1.00  0.00           C  
HETATM   15  O   UNL     1      -4.618  -3.515  -0.010  1.00  0.00           O  
HETATM   16  C   UNL     1      -5.973  -3.284   0.378  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.972  -3.826  -0.707  1.00  0.00           O  
HETATM   18  N   UNL     1       3.098   0.028  -0.067  1.00  0.00           N  
HETATM   19  N   UNL     1       2.669   1.205   0.564  1.00  0.00           N  
HETATM   20  C   UNL     1       4.512  -0.118  -0.437  1.00  0.00           C  
HETATM   21  C   UNL     1       4.800   0.700  -1.670  1.00  0.00           C  
HETATM   22  C   UNL     1       5.112   0.102  -2.793  1.00  0.00           C  
HETATM   23  C   UNL     1       5.023  -1.398  -2.899  1.00  0.00           C  
HETATM   24  C   UNL     1       5.363   0.375   0.704  1.00  0.00           C  
HETATM   25  C   UNL     1       4.840   1.336   1.576  1.00  0.00           C  
HETATM   26  C   UNL     1       5.614   1.797   2.641  1.00  0.00           C  
HETATM   27  C   UNL     1       6.888   1.298   2.826  1.00  0.00           C  
HETATM   28  C   UNL     1       7.397   0.347   1.959  1.00  0.00           C  
HETATM   29  C   UNL     1       6.634  -0.114   0.899  1.00  0.00           C  
HETATM   30  O   UNL     1       2.603  -1.986  -0.865  1.00  0.00           O  
HETATM   31  C   UNL     1      -1.915  -0.478   0.784  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.267   2.883   0.291  1.00  0.00           C  
HETATM   33  N   UNL     1      -3.676   3.741  -0.632  1.00  0.00           N  
HETATM   34  C   UNL     1      -4.908   3.685  -1.117  1.00  0.00           C  
HETATM   35  N   UNL     1      -5.297   4.599  -2.080  1.00  0.00           N  
HETATM   36  N   UNL     1      -5.775   2.772  -0.706  1.00  0.00           N  
HETATM   37  C   UNL     1       5.560   0.916  -3.980  1.00  0.00           C  
HETATM   38  H   UNL     1      -1.225  -5.736  -0.463  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.681  -4.541   0.739  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.341  -5.181   0.808  1.00  0.00           H  
HETATM   41  H   UNL     1       0.277  -2.712  -0.691  1.00  0.00           H  
HETATM   42  H   UNL     1       0.480   0.095   0.527  1.00  0.00           H  
HETATM   43  H   UNL     1       3.149   2.754   1.845  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.239   0.912   0.278  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.088   0.287   1.331  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.898   1.349   2.389  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.554   0.699   2.453  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.182  -1.235   1.135  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.355  -2.404  -0.139  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.580  -4.151   0.115  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.020  -3.122   1.455  1.00  0.00           H  
HETATM   52  H   UNL     1       4.733  -1.167  -0.633  1.00  0.00           H  
HETATM   53  H   UNL     1       4.750   1.777  -1.627  1.00  0.00           H  
HETATM   54  H   UNL     1       4.592  -1.802  -1.983  1.00  0.00           H  
HETATM   55  H   UNL     1       4.392  -1.666  -3.747  1.00  0.00           H  
HETATM   56  H   UNL     1       6.021  -1.812  -3.044  1.00  0.00           H  
HETATM   57  H   UNL     1       5.218   2.539   3.318  1.00  0.00           H  
HETATM   58  H   UNL     1       7.490   1.653   3.649  1.00  0.00           H  
HETATM   59  H   UNL     1       8.394  -0.038   2.111  1.00  0.00           H  
HETATM   60  H   UNL     1       7.037  -0.857   0.227  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.215   0.316   0.996  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.261   2.938   0.680  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.670   5.271  -2.392  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.196   4.569  -2.443  1.00  0.00           H  
HETATM   65  H   UNL     1       6.643   1.032  -3.954  1.00  0.00           H  
HETATM   66  H   UNL     1       5.272   0.406  -4.900  1.00  0.00           H  
HETATM   67  H   UNL     1       5.088   1.898  -3.946  1.00  0.00           H  
CONECT    1    3    3   14   17                                       
CONECT    2   17   38   39   40                                       
CONECT    3   31    4    1    1                                       
CONECT    4    3    5    5   41                                       
CONECT    5    4    4    6   42                                       
CONECT    6   18    5   30   30                                       
CONECT    7   25   19   19   43                                       
CONECT    8    9   44   45                                            
CONECT    9    8   36   36   10                                       
CONECT   10    9   11   32   32                                       
CONECT   11   10   12   46   47                                       
CONECT   12   11   31   31   13                                       
CONECT   13   12   14   14   48                                       
CONECT   14   13   13    1   15                                       
CONECT   15   14   16                                                 
CONECT   16   15   49   50   51                                       
CONECT   17    1    2                                                 
CONECT   18   19   20    6                                            
CONECT   19    7    7   18                                            
CONECT   20   24   18   21   52                                       
CONECT   21   20   22   22   53                                       
CONECT   22   37   21   21   23                                       
CONECT   23   22   54   55   56                                       
CONECT   24   25   25   29   20                                       
CONECT   25   26    7   24   24                                       
CONECT   26   27   27   25   57                                       
CONECT   27   26   26   28   58                                       
CONECT   28   27   29   29   59                                       
CONECT   29   28   28   24   60                                       
CONECT   30    6    6                                                 
CONECT   31   12   12    3   61                                       
CONECT   32   10   10   33   62                                       
CONECT   33   34   34   32                                            
CONECT   34   36   35   33   33                                       
CONECT   35   34   63   64                                            
CONECT   36    9    9   34                                            
CONECT   37   22   65   66   67                                       
CONECT   38    2                                                      
CONECT   39    2                                                      
CONECT   40    2                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    8                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   13                                                      
CONECT   49   16                                                      
CONECT   50   16                                                      
CONECT   51   16                                                      
CONECT   52   20                                                      
CONECT   53   21                                                      
CONECT   54   23                                                      
CONECT   55   23                                                      
CONECT   56   23                                                      
CONECT   57   26                                                      
CONECT   58   27                                                      
CONECT   59   28                                                      
CONECT   60   29                                                      
CONECT   61   31                                                      
CONECT   62   32                                                      
CONECT   63   35                                                      
CONECT   64   35                                                      
CONECT   65   37                                                      
CONECT   66   37                                                      
CONECT   67   37                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
