COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -9.496   3.577  -1.246  1.00  0.00           O  
HETATM    2  C   UNL     1      -8.941   4.033  -0.094  1.00  0.00           C  
HETATM    3  C   UNL     1      -9.621   4.960   0.691  1.00  0.00           C  
HETATM    4  O   UNL     1     -10.845   5.410   0.306  1.00  0.00           O  
HETATM    5  C   UNL     1      -9.051   5.423   1.865  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.805   4.969   2.264  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.120   4.052   1.498  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.685   3.570   0.313  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.954   2.588  -0.511  1.00  0.00           C  
HETATM   10  O   UNL     1      -7.448   2.171  -1.541  1.00  0.00           O  
HETATM   11  N   UNL     1      -5.740   2.152  -0.122  1.00  0.00           N  
HETATM   12  C   UNL     1      -5.014   1.177  -0.939  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.673   0.854  -0.278  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.916  -0.165  -1.132  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.574  -0.488  -0.471  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.817  -1.507  -1.325  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.554  -2.773  -1.344  1.00  0.00           N  
HETATM   18  C   UNL     1      -1.796  -3.429  -0.192  1.00  0.00           C  
HETATM   19  O   UNL     1      -1.402  -2.971   0.863  1.00  0.00           O  
HETATM   20  C   UNL     1      -2.539  -4.704  -0.211  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.994  -5.234  -1.422  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.687  -6.424  -1.436  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.937  -7.102  -0.254  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.493  -6.591   0.953  1.00  0.00           C  
HETATM   25  O   UNL     1      -3.742  -7.262   2.109  1.00  0.00           O  
HETATM   26  C   UNL     1      -2.787  -5.391   0.983  1.00  0.00           C  
HETATM   27  O   UNL     1      -2.346  -4.889   2.164  1.00  0.00           O  
HETATM   28  C   UNL     1       0.553  -1.733  -0.740  1.00  0.00           C  
HETATM   29  O   UNL     1       0.767  -2.711  -0.055  1.00  0.00           O  
HETATM   30  N   UNL     1       1.542  -0.849  -0.979  1.00  0.00           N  
HETATM   31  C   UNL     1       2.874  -1.068  -0.410  1.00  0.00           C  
HETATM   32  C   UNL     1       3.803   0.073  -0.830  1.00  0.00           C  
HETATM   33  C   UNL     1       5.194  -0.156  -0.236  1.00  0.00           C  
HETATM   34  C   UNL     1       6.122   0.985  -0.656  1.00  0.00           C  
HETATM   35  N   UNL     1       7.454   0.766  -0.088  1.00  0.00           N  
HETATM   36  C   UNL     1       8.443   1.650  -0.326  1.00  0.00           C  
HETATM   37  O   UNL     1       8.229   2.630  -1.013  1.00  0.00           O  
HETATM   38  C   UNL     1       9.785   1.429   0.247  1.00  0.00           C  
HETATM   39  C   UNL     1      10.034   0.303   1.037  1.00  0.00           C  
HETATM   40  C   UNL     1      11.288   0.100   1.569  1.00  0.00           C  
HETATM   41  C   UNL     1      12.307   1.006   1.326  1.00  0.00           C  
HETATM   42  C   UNL     1      12.076   2.126   0.545  1.00  0.00           C  
HETATM   43  O   UNL     1      13.082   3.009   0.307  1.00  0.00           O  
HETATM   44  C   UNL     1      10.816   2.342  -0.004  1.00  0.00           C  
HETATM   45  O   UNL     1      10.585   3.439  -0.770  1.00  0.00           O  
HETATM   46  H   UNL     1      -9.274   4.104  -2.025  1.00  0.00           H  
HETATM   47  H   UNL     1     -11.582   4.881   0.640  1.00  0.00           H  
HETATM   48  H   UNL     1      -9.581   6.142   2.472  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.366   5.339   3.179  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.148   3.702   1.814  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.345   2.485   0.700  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.605   0.265  -1.027  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.839   1.593  -1.931  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.082   1.765  -0.191  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.848   0.438   0.714  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.507  -1.077  -1.219  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.741   0.251  -2.124  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.983   0.424  -0.383  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.749  -0.904   0.521  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.720  -1.128  -2.342  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.869  -3.138  -2.186  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.802  -4.710  -2.347  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.037  -6.831  -2.374  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.482  -8.035  -0.275  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.055  -7.897   2.351  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.978  -4.302   2.602  1.00  0.00           H  
HETATM   67  H   UNL     1       1.372  -0.067  -1.526  1.00  0.00           H  
HETATM   68  H   UNL     1       2.805  -1.099   0.677  1.00  0.00           H  
HETATM   69  H   UNL     1       3.274  -2.014  -0.775  1.00  0.00           H  
HETATM   70  H   UNL     1       3.872   0.104  -1.917  1.00  0.00           H  
HETATM   71  H   UNL     1       3.403   1.020  -0.465  1.00  0.00           H  
HETATM   72  H   UNL     1       5.124  -0.186   0.851  1.00  0.00           H  
HETATM   73  H   UNL     1       5.593  -1.102  -0.601  1.00  0.00           H  
HETATM   74  H   UNL     1       6.192   1.016  -1.743  1.00  0.00           H  
HETATM   75  H   UNL     1       5.723   1.931  -0.291  1.00  0.00           H  
HETATM   76  H   UNL     1       7.625  -0.016   0.460  1.00  0.00           H  
HETATM   77  H   UNL     1       9.244  -0.407   1.230  1.00  0.00           H  
HETATM   78  H   UNL     1      11.478  -0.771   2.180  1.00  0.00           H  
HETATM   79  H   UNL     1      13.287   0.839   1.748  1.00  0.00           H  
HETATM   80  H   UNL     1      13.140   3.724   0.955  1.00  0.00           H  
HETATM   81  H   UNL     1      10.754   3.303  -1.712  1.00  0.00           H  
CONECT    1    2   46                                                 
CONECT    2    8    8    3    1                                       
CONECT    3    5    5    2    4                                       
CONECT    4    3   47                                                 
CONECT    5    6    3    3   48                                       
CONECT    6    7    7    5   49                                       
CONECT    7    6    6    8   50                                       
CONECT    8    7    9    2    2                                       
CONECT    9   10   10    8   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   12   51                                            
CONECT   12   13   11   52   53                                       
CONECT   13   12   14   54   55                                       
CONECT   14   13   15   56   57                                       
CONECT   15   14   16   58   59                                       
CONECT   16   15   17   28   60                                       
CONECT   17   16   18   61                                            
CONECT   18   17   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   26   26   21                                       
CONECT   21   20   22   22   62                                       
CONECT   22   21   21   23   63                                       
CONECT   23   24   24   22   64                                       
CONECT   24   26   25   23   23                                       
CONECT   25   24   65                                                 
CONECT   26   27   20   20   24                                       
CONECT   27   26   66                                                 
CONECT   28   16   29   29   30                                       
CONECT   29   28   28                                                 
CONECT   30   28   31   67                                            
CONECT   31   30   32   68   69                                       
CONECT   32   31   33   70   71                                       
CONECT   33   32   34   72   73                                       
CONECT   34   35   33   74   75                                       
CONECT   35   36   34   76                                            
CONECT   36   35   38   37   37                                       
CONECT   37   36   36                                                 
CONECT   38   44   36   39   39                                       
CONECT   39   38   38   40   77                                       
CONECT   40   41   41   39   78                                       
CONECT   41   42   40   40   79                                       
CONECT   42   43   44   44   41                                       
CONECT   43   42   80                                                 
CONECT   44   45   42   42   38                                       
CONECT   45   44   81                                                 
CONECT   46    1                                                      
CONECT   47    4                                                      
CONECT   48    5                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   21                                                      
CONECT   63   22                                                      
CONECT   64   23                                                      
CONECT   65   25                                                      
CONECT   66   27                                                      
CONECT   67   30                                                      
CONECT   68   31                                                      
CONECT   69   31                                                      
CONECT   70   32                                                      
CONECT   71   32                                                      
CONECT   72   33                                                      
CONECT   73   33                                                      
CONECT   74   34                                                      
CONECT   75   34                                                      
CONECT   76   35                                                      
CONECT   77   39                                                      
CONECT   78   40                                                      
CONECT   79   41                                                      
CONECT   80   43                                                      
CONECT   81   45                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
