COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       8.216   1.849   0.668  1.00  0.00           N  
HETATM    2  C   UNL     1       7.153   1.054   0.037  1.00  0.00           C  
HETATM    3  C   UNL     1       5.830   1.387   0.677  1.00  0.00           C  
HETATM    4  O   UNL     1       5.800   1.904   1.774  1.00  0.00           O  
HETATM    5  C   UNL     1       7.450  -0.435   0.226  1.00  0.00           C  
HETATM    6  C   UNL     1       8.730  -0.799  -0.530  1.00  0.00           C  
HETATM    7  C   UNL     1       9.022  -2.266  -0.344  1.00  0.00           C  
HETATM    8  O   UNL     1       8.282  -2.950   0.323  1.00  0.00           O  
HETATM    9  O   UNL     1      10.104  -2.813  -0.920  1.00  0.00           O  
HETATM   10  N   UNL     1       4.680   1.111   0.031  1.00  0.00           N  
HETATM   11  C   UNL     1       3.394   1.435   0.652  1.00  0.00           C  
HETATM   12  C   UNL     1       2.324   0.534   0.092  1.00  0.00           C  
HETATM   13  O   UNL     1       2.608  -0.298  -0.744  1.00  0.00           O  
HETATM   14  C   UNL     1       3.038   2.894   0.357  1.00  0.00           C  
HETATM   15  C   UNL     1       2.939   3.098  -1.156  1.00  0.00           C  
HETATM   16  C   UNL     1       4.124   3.809   0.926  1.00  0.00           C  
HETATM   17  C   UNL     1       2.462   4.523  -1.447  1.00  0.00           C  
HETATM   18  N   UNL     1       1.051   0.651   0.521  1.00  0.00           N  
HETATM   19  C   UNL     1       0.011  -0.225  -0.024  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.331   0.449   0.104  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.411   1.552   0.601  1.00  0.00           O  
HETATM   22  C   UNL     1      -0.004  -1.543   0.753  1.00  0.00           C  
HETATM   23  C   UNL     1       1.294  -2.275   0.526  1.00  0.00           C  
HETATM   24  C   UNL     1       2.391  -2.145   1.272  1.00  0.00           C  
HETATM   25  C   UNL     1       3.465  -2.921   0.871  1.00  0.00           C  
HETATM   26  C   UNL     1       3.239  -3.682  -0.201  1.00  0.00           C  
HETATM   27  S   UNL     1       1.590  -3.438  -0.760  1.00  0.00           S  
HETATM   28  N   UNL     1      -2.442  -0.175  -0.334  1.00  0.00           N  
HETATM   29  C   UNL     1      -3.747   0.480  -0.210  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.970   1.404  -1.409  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.943   2.537  -1.377  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.085   3.389  -2.640  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.185   3.410  -0.143  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.849  -0.581  -0.171  1.00  0.00           C  
HETATM   35  O   UNL     1      -4.890  -1.271  -1.422  1.00  0.00           O  
HETATM   36  C   UNL     1      -6.198   0.094   0.083  1.00  0.00           C  
HETATM   37  N   UNL     1      -7.237  -0.933   0.239  1.00  0.00           N  
HETATM   38  CA  UNL     1      -8.549  -0.320   0.486  1.00  0.00           C  
HETATM   39  C   UNL     1      -9.653  -1.280   0.036  1.00  0.00           C  
HETATM   40  C   UNL     1      -9.574  -1.472  -1.480  1.00  0.00           C  
HETATM   41  C   UNL     1     -10.678  -2.432  -1.930  1.00  0.00           C  
HETATM   42  C   UNL     1      -8.702  -0.034   1.958  1.00  0.00           C  
HETATM   43  O   UNL     1      -7.809  -0.312   2.723  1.00  0.00           O  
HETATM   44  OXT UNL     1      -9.830   0.529   2.418  1.00  0.00           O  
HETATM   45  H   UNL     1       8.276   1.653   1.656  1.00  0.00           H  
HETATM   46  H   UNL     1       9.103   1.691   0.213  1.00  0.00           H  
HETATM   47  H   UNL     1       7.110   1.284  -1.027  1.00  0.00           H  
HETATM   48  H   UNL     1       7.581  -0.648   1.286  1.00  0.00           H  
HETATM   49  H   UNL     1       6.619  -1.023  -0.163  1.00  0.00           H  
HETATM   50  H   UNL     1       8.599  -0.586  -1.590  1.00  0.00           H  
HETATM   51  H   UNL     1       9.561  -0.211  -0.140  1.00  0.00           H  
HETATM   52  H   UNL     1      10.250  -3.757  -0.773  1.00  0.00           H  
HETATM   53  H   UNL     1       4.704   0.697  -0.847  1.00  0.00           H  
HETATM   54  H   UNL     1       3.464   1.289   1.730  1.00  0.00           H  
HETATM   55  H   UNL     1       2.081   3.135   0.820  1.00  0.00           H  
HETATM   56  H   UNL     1       3.918   2.944  -1.608  1.00  0.00           H  
HETATM   57  H   UNL     1       2.228   2.385  -1.573  1.00  0.00           H  
HETATM   58  H   UNL     1       3.870   4.848   0.716  1.00  0.00           H  
HETATM   59  H   UNL     1       4.195   3.663   2.004  1.00  0.00           H  
HETATM   60  H   UNL     1       5.081   3.568   0.463  1.00  0.00           H  
HETATM   61  H   UNL     1       2.391   4.669  -2.525  1.00  0.00           H  
HETATM   62  H   UNL     1       1.482   4.677  -0.995  1.00  0.00           H  
HETATM   63  H   UNL     1       3.172   5.236  -1.030  1.00  0.00           H  
HETATM   64  H   UNL     1       0.824   1.316   1.190  1.00  0.00           H  
HETATM   65  H   UNL     1       0.219  -0.426  -1.075  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.122  -1.336   1.817  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.834  -2.159   0.408  1.00  0.00           H  
HETATM   68  H   UNL     1       2.439  -1.484   2.125  1.00  0.00           H  
HETATM   69  H   UNL     1       4.414  -2.911   1.387  1.00  0.00           H  
HETATM   70  H   UNL     1       3.958  -4.348  -0.654  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.379  -1.058  -0.731  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.774   1.065   0.710  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.855   0.835  -2.332  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.975   1.822  -1.362  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.939   2.117  -1.333  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.090   3.810  -2.683  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.354   4.197  -2.617  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.913   2.768  -3.519  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.453   4.218  -0.121  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.189   3.830  -0.187  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.084   2.803   0.756  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.641  -1.292   0.629  1.00  0.00           H  
HETATM   83  H   UNL     1      -5.070  -0.699  -2.181  1.00  0.00           H  
HETATM   84  H   UNL     1      -6.139   0.692   0.993  1.00  0.00           H  
HETATM   85  H   UNL     1      -6.447   0.738  -0.760  1.00  0.00           H  
HETATM   86  H   UNL     1      -7.268  -1.542  -0.565  1.00  0.00           H  
HETATM   87  HA  UNL     1      -8.627   0.611  -0.075  1.00  0.00           H  
HETATM   88  H   UNL     1      -9.522  -2.242   0.531  1.00  0.00           H  
HETATM   89  H   UNL     1     -10.625  -0.864   0.299  1.00  0.00           H  
HETATM   90  H   UNL     1      -9.705  -0.510  -1.976  1.00  0.00           H  
HETATM   91  H   UNL     1      -8.602  -1.888  -1.744  1.00  0.00           H  
HETATM   92  H   UNL     1     -10.547  -3.394  -1.435  1.00  0.00           H  
HETATM   93  H   UNL     1     -11.650  -2.016  -1.667  1.00  0.00           H  
HETATM   94  H   UNL     1     -10.622  -2.569  -3.010  1.00  0.00           H  
HETATM   95  HXT UNL     1      -9.881   0.693   3.370  1.00  0.00           H  
CONECT    1    2   45   46                                            
CONECT    2    1    3    5   47                                       
CONECT    3    2    4    4   10                                       
CONECT    4    3    3                                                 
CONECT    5    2    6   48   49                                       
CONECT    6    5    7   50   51                                       
CONECT    7    6    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   52                                                 
CONECT   10   11   53    3                                            
CONECT   11   10   12   14   54                                       
CONECT   12   11   13   13   18                                       
CONECT   13   12   12                                                 
CONECT   14   11   15   16   55                                       
CONECT   15   14   17   56   57                                       
CONECT   16   14   58   59   60                                       
CONECT   17   15   61   62   63                                       
CONECT   18   19   64   12                                            
CONECT   19   18   20   22   65                                       
CONECT   20   19   21   21   28                                       
CONECT   21   20   20                                                 
CONECT   22   19   23   66   67                                       
CONECT   23   22   24   24   27                                       
CONECT   24   23   23   25   68                                       
CONECT   25   24   26   26   69                                       
CONECT   26   25   25   27   70                                       
CONECT   27   23   26                                                 
CONECT   28   29   71   20                                            
CONECT   29   28   34   30   72                                       
CONECT   30   29   31   73   74                                       
CONECT   31   30   33   32   75                                       
CONECT   32   31   76   77   78                                       
CONECT   33   31   79   80   81                                       
CONECT   34   29   36   35   82                                       
CONECT   35   34   83                                                 
CONECT   36   34   37   84   85                                       
CONECT   37   36   38   86                                            
CONECT   38   37   42   39   87                                       
CONECT   39   38   40   88   89                                       
CONECT   40   39   41   90   91                                       
CONECT   41   40   92   93   94                                       
CONECT   42   38   43   43   44                                       
CONECT   43   42   42                                                 
CONECT   44   42   95                                                 
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    2                                                      
CONECT   48    5                                                      
CONECT   49    5                                                      
CONECT   50    6                                                      
CONECT   51    6                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   11                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   15                                                      
CONECT   58   16                                                      
CONECT   59   16                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   17                                                      
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   22                                                      
CONECT   67   22                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   26                                                      
CONECT   71   28                                                      
CONECT   72   29                                                      
CONECT   73   30                                                      
CONECT   74   30                                                      
CONECT   75   31                                                      
CONECT   76   32                                                      
CONECT   77   32                                                      
CONECT   78   32                                                      
CONECT   79   33                                                      
CONECT   80   33                                                      
CONECT   81   33                                                      
CONECT   82   34                                                      
CONECT   83   35                                                      
CONECT   84   36                                                      
CONECT   85   36                                                      
CONECT   86   37                                                      
CONECT   87   38                                                      
CONECT   88   39                                                      
CONECT   89   39                                                      
CONECT   90   40                                                      
CONECT   91   40                                                      
CONECT   92   41                                                      
CONECT   93   41                                                      
CONECT   94   41                                                      
CONECT   95   44                                                      
MASTER        0    0    0    0    0    0    0    0   95    0   95    0
END
