COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.688   0.208  -2.398  1.00  0.00           C  
HETATM    2  C   UNL     1       6.313  -0.557  -1.156  1.00  0.00           C  
HETATM    3  C   UNL     1       7.140  -1.603  -0.539  1.00  0.00           C  
HETATM    4  C   UNL     1       8.387  -2.135  -0.892  1.00  0.00           C  
HETATM    5  C   UNL     1       8.950  -3.131  -0.123  1.00  0.00           C  
HETATM    6  C   UNL     1       8.291  -3.609   0.996  1.00  0.00           C  
HETATM    7  C   UNL     1       7.058  -3.089   1.353  1.00  0.00           C  
HETATM    8  C   UNL     1       6.485  -2.095   0.595  1.00  0.00           C  
HETATM    9  C   UNL     1       5.187  -1.334   0.708  1.00  0.00           C  
HETATM   10  C   UNL     1       5.179  -0.372  -0.457  1.00  0.00           C  
HETATM   11  C   UNL     1       4.120   0.587  -0.775  1.00  0.00           C  
HETATM   12  O   UNL     1       4.227   1.313  -1.746  1.00  0.00           O  
HETATM   13  N   UNL     1       3.025   0.666   0.007  1.00  0.00           N  
HETATM   14  C   UNL     1       1.964   1.625  -0.311  1.00  0.00           C  
HETATM   15  C   UNL     1       2.312   2.988   0.291  1.00  0.00           C  
HETATM   16  C   UNL     1       0.659   1.140   0.265  1.00  0.00           C  
HETATM   17  O   UNL     1       0.658   0.397   1.224  1.00  0.00           O  
HETATM   18  N   UNL     1      -0.507   1.533  -0.285  1.00  0.00           N  
HETATM   19  C   UNL     1      -1.776   1.155   0.343  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.216  -0.188  -0.181  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.536  -0.772  -0.998  1.00  0.00           O  
HETATM   22  C   UNL     1      -2.840   2.205   0.013  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.464   3.518   0.649  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.845   3.958   1.858  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.607   4.554   0.067  1.00  0.00           C  
HETATM   26  N   UNL     1      -2.308   5.194   2.096  1.00  0.00           N  
HETATM   27  C   UNL     1      -1.545   5.588   1.019  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.918   4.678  -1.141  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.793   6.725   0.743  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.185   5.804  -1.392  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.120   6.826  -0.454  1.00  0.00           C  
HETATM   32  N   UNL     1      -3.365  -0.739   0.258  1.00  0.00           N  
HETATM   33  C   UNL     1      -3.792  -2.045  -0.252  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.545  -1.858  -1.544  1.00  0.00           C  
HETATM   35  O   UNL     1      -4.944  -0.762  -1.857  1.00  0.00           O  
HETATM   36  C   UNL     1      -4.799  -3.038  -2.445  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.588  -3.258  -3.353  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.037  -2.768  -3.303  1.00  0.00           C  
HETATM   39  O   UNL     1      -6.347  -3.931  -4.072  1.00  0.00           O  
HETATM   40  C   UNL     1      -4.703  -2.720   0.776  1.00  0.00           C  
HETATM   41  C   UNL     1      -3.915  -3.018   2.026  1.00  0.00           C  
HETATM   42  C   UNL     1      -3.253  -4.225   2.155  1.00  0.00           C  
HETATM   43  C   UNL     1      -2.531  -4.498   3.301  1.00  0.00           C  
HETATM   44  C   UNL     1      -2.470  -3.564   4.319  1.00  0.00           C  
HETATM   45  C   UNL     1      -3.131  -2.357   4.190  1.00  0.00           C  
HETATM   46  C   UNL     1      -3.850  -2.082   3.041  1.00  0.00           C  
HETATM   47  H   UNL     1       7.658  -0.136  -2.759  1.00  0.00           H  
HETATM   48  H   UNL     1       5.935   0.043  -3.168  1.00  0.00           H  
HETATM   49  H   UNL     1       6.744   1.272  -2.167  1.00  0.00           H  
HETATM   50  H   UNL     1       8.905  -1.766  -1.764  1.00  0.00           H  
HETATM   51  H   UNL     1       9.912  -3.541  -0.397  1.00  0.00           H  
HETATM   52  H   UNL     1       8.740  -4.390   1.592  1.00  0.00           H  
HETATM   53  H   UNL     1       6.546  -3.465   2.227  1.00  0.00           H  
HETATM   54  H   UNL     1       4.342  -2.018   0.642  1.00  0.00           H  
HETATM   55  H   UNL     1       5.154  -0.784   1.648  1.00  0.00           H  
HETATM   56  H   UNL     1       2.939   0.087   0.781  1.00  0.00           H  
HETATM   57  H   UNL     1       1.872   1.719  -1.393  1.00  0.00           H  
HETATM   58  H   UNL     1       3.296   3.300  -0.062  1.00  0.00           H  
HETATM   59  H   UNL     1       1.567   3.722  -0.015  1.00  0.00           H  
HETATM   60  H   UNL     1       2.323   2.913   1.378  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.506   2.065  -1.096  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.645   1.098   1.423  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.904   2.329  -1.068  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.805   1.877   0.399  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.483   3.417   2.542  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.443   5.714   2.904  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.963   3.887  -1.875  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.737   7.526   1.466  1.00  0.00           H  
HETATM   69  H   UNL     1       0.348   5.899  -2.326  1.00  0.00           H  
HETATM   70  H   UNL     1       0.463   7.710  -0.667  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.908  -0.272   0.911  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.917  -2.670  -0.428  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.706  -3.451  -2.742  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.772  -4.112  -4.005  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.422  -2.367  -3.959  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.880  -2.524  -2.657  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.839  -1.931  -3.973  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.122  -3.831  -4.641  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.532  -2.055   1.019  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.092  -3.649   0.361  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.301  -4.954   1.360  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.014  -5.441   3.402  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.906  -3.778   5.215  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.084  -1.628   4.985  1.00  0.00           H  
HETATM   85  H   UNL     1      -4.364  -1.137   2.939  1.00  0.00           H  
HETATM   86  H   UNL     1      -4.965  -3.929  -1.839  1.00  0.00           H  
CONECT    1    2   47   48   49                                       
CONECT    2   10   10    1    3                                       
CONECT    3    2    8    8    4                                       
CONECT    4    3    5    5   50                                       
CONECT    5    4    4    6   51                                       
CONECT    6    7    7    5   52                                       
CONECT    7    8    6    6   53                                       
CONECT    8    9    3    3    7                                       
CONECT    9   10    8   54   55                                       
CONECT   10   11    9    2    2                                       
CONECT   11   13   12   12   10                                       
CONECT   12   11   11                                                 
CONECT   13   14   11   56                                            
CONECT   14   16   15   13   57                                       
CONECT   15   14   58   59   60                                       
CONECT   16   18   17   17   14                                       
CONECT   17   16   16                                                 
CONECT   18   19   16   61                                            
CONECT   19   20   22   18   62                                       
CONECT   20   32   21   21   19                                       
CONECT   21   20   20                                                 
CONECT   22   19   23   63   64                                       
CONECT   23   22   25   24   24                                       
CONECT   24   23   23   26   65                                       
CONECT   25   28   23   27   27                                       
CONECT   26   27   24   66                                            
CONECT   27   25   25   29   26                                       
CONECT   28   30   30   25   67                                       
CONECT   29   31   31   27   68                                       
CONECT   30   28   28   31   69                                       
CONECT   31   30   29   29   70                                       
CONECT   32   33   20   71                                            
CONECT   33   34   40   32   72                                       
CONECT   34   36   35   35   33                                       
CONECT   35   34   34                                                 
CONECT   36   34   37   38   86                                       
CONECT   37   36   73   74   75                                       
CONECT   38   36   39   76   77                                       
CONECT   39   38   78                                                 
CONECT   40   33   41   79   80                                       
CONECT   41   40   42   46   46                                       
CONECT   42   41   43   43   81                                       
CONECT   43   42   42   44   82                                       
CONECT   44   43   45   45   83                                       
CONECT   45   46   44   44   84                                       
CONECT   46   41   41   45   85                                       
CONECT   47    1                                                      
CONECT   48    1                                                      
CONECT   49    1                                                      
CONECT   50    4                                                      
CONECT   51    5                                                      
CONECT   52    6                                                      
CONECT   53    7                                                      
CONECT   54    9                                                      
CONECT   55    9                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   15                                                      
CONECT   60   15                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   22                                                      
CONECT   64   22                                                      
CONECT   65   24                                                      
CONECT   66   26                                                      
CONECT   67   28                                                      
CONECT   68   29                                                      
CONECT   69   30                                                      
CONECT   70   31                                                      
CONECT   71   32                                                      
CONECT   72   33                                                      
CONECT   73   37                                                      
CONECT   74   37                                                      
CONECT   75   37                                                      
CONECT   76   38                                                      
CONECT   77   38                                                      
CONECT   78   39                                                      
CONECT   79   40                                                      
CONECT   80   40                                                      
CONECT   81   42                                                      
CONECT   82   43                                                      
CONECT   83   44                                                      
CONECT   84   45                                                      
CONECT   85   46                                                      
CONECT   86   36                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
