COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1     -10.681   2.207  -1.984  1.00  0.00           O  
HETATM    2  C   UNL     1     -11.554   2.530  -0.994  1.00  0.00           C  
HETATM    3  C   UNL     1     -11.896   3.855  -0.776  1.00  0.00           C  
HETATM    4  C   UNL     1     -12.788   4.181   0.234  1.00  0.00           C  
HETATM    5  O   UNL     1     -13.126   5.480   0.449  1.00  0.00           O  
HETATM    6  C   UNL     1     -13.335   3.181   1.025  1.00  0.00           C  
HETATM    7  C   UNL     1     -12.991   1.861   0.807  1.00  0.00           C  
HETATM    8  C   UNL     1     -12.108   1.532  -0.204  1.00  0.00           C  
HETATM    9  C   UNL     1     -11.735   0.091  -0.440  1.00  0.00           C  
HETATM   10  C   UNL     1     -10.456  -0.223   0.292  1.00  0.00           C  
HETATM   11  O   UNL     1      -9.901   0.638   0.941  1.00  0.00           O  
HETATM   12  N   UNL     1      -9.928  -1.462   0.225  1.00  0.00           N  
HETATM   13  C   UNL     1      -8.631  -1.740   0.846  1.00  0.00           C  
HETATM   14  C   UNL     1      -8.505  -3.241   1.112  1.00  0.00           C  
HETATM   15  C   UNL     1      -9.523  -3.657   2.142  1.00  0.00           C  
HETATM   16  O   UNL     1     -10.207  -2.819   2.691  1.00  0.00           O  
HETATM   17  N   UNL     1      -9.673  -4.959   2.454  1.00  0.00           N  
HETATM   18  C   UNL     1      -7.526  -1.299  -0.079  1.00  0.00           C  
HETATM   19  O   UNL     1      -7.796  -0.801  -1.151  1.00  0.00           O  
HETATM   20  N   UNL     1      -6.239  -1.457   0.286  1.00  0.00           N  
HETATM   21  C   UNL     1      -5.164  -1.028  -0.613  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.810  -1.319   0.036  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.688  -0.871  -0.903  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.333  -1.161  -0.255  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.211  -0.713  -1.194  1.00  0.00           C  
HETATM   26  N   UNL     1       1.089  -0.992  -0.571  1.00  0.00           N  
HETATM   27  C   UNL     1       2.193  -0.574  -1.446  1.00  0.00           C  
HETATM   28  C   UNL     1       3.528  -0.880  -0.764  1.00  0.00           C  
HETATM   29  C   UNL     1       4.677  -0.444  -1.676  1.00  0.00           C  
HETATM   30  N   UNL     1       5.959  -0.738  -1.022  1.00  0.00           N  
HETATM   31  C   UNL     1       7.088  -0.332  -1.870  1.00  0.00           C  
HETATM   32  C   UNL     1       8.403  -0.653  -1.156  1.00  0.00           C  
HETATM   33  C   UNL     1       9.579  -0.231  -2.040  1.00  0.00           C  
HETATM   34  N   UNL     1      10.838  -0.538  -1.357  1.00  0.00           N  
HETATM   35  C   UNL     1      12.014  -0.251  -1.950  1.00  0.00           C  
HETATM   36  O   UNL     1      12.029   0.262  -3.049  1.00  0.00           O  
HETATM   37  C   UNL     1      13.309  -0.567  -1.247  1.00  0.00           C  
HETATM   38  N   UNL     1      14.399  -0.621  -2.231  1.00  0.00           N  
HETATM   39  C   UNL     1      13.608   0.521  -0.214  1.00  0.00           C  
HETATM   40  C   UNL     1      14.855   0.138   0.585  1.00  0.00           C  
HETATM   41  C   UNL     1      15.154   1.226   1.618  1.00  0.00           C  
HETATM   42  N   UNL     1      16.348   0.859   2.383  1.00  0.00           N  
HETATM   43  C   UNL     1      16.812   1.690   3.374  1.00  0.00           C  
HETATM   44  N   UNL     1      16.189   2.805   3.634  1.00  0.00           N  
HETATM   45  N   UNL     1      17.932   1.345   4.092  1.00  0.00           N  
HETATM   46  H   UNL     1      -9.755   2.194  -1.704  1.00  0.00           H  
HETATM   47  H   UNL     1     -11.470   4.633  -1.393  1.00  0.00           H  
HETATM   48  H   UNL     1     -13.897   5.775  -0.055  1.00  0.00           H  
HETATM   49  H   UNL     1     -14.029   3.435   1.812  1.00  0.00           H  
HETATM   50  H   UNL     1     -13.417   1.083   1.423  1.00  0.00           H  
HETATM   51  H   UNL     1     -12.533  -0.555  -0.072  1.00  0.00           H  
HETATM   52  H   UNL     1     -11.594  -0.078  -1.507  1.00  0.00           H  
HETATM   53  H   UNL     1     -10.408  -2.169  -0.235  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.555  -1.197   1.788  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.679  -3.790   0.186  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.503  -3.462   1.481  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.126  -5.629   2.015  1.00  0.00           H  
HETATM   58  H   UNL     1     -10.328  -5.227   3.118  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.023  -1.856   1.144  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.240  -1.571  -1.555  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.255   0.041  -0.803  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.734  -0.775   0.978  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.719  -2.388   0.225  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.764  -1.414  -1.845  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.778   0.199  -1.093  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.257  -0.618   0.687  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.243  -2.231  -0.065  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.287  -1.256  -2.135  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.301   0.356  -1.383  1.00  0.00           H  
HETATM   70  H   UNL     1       1.172  -1.968  -0.326  1.00  0.00           H  
HETATM   71  H   UNL     1       2.134  -1.116  -2.389  1.00  0.00           H  
HETATM   72  H   UNL     1       2.119   0.497  -1.637  1.00  0.00           H  
HETATM   73  H   UNL     1       3.587  -0.338   0.179  1.00  0.00           H  
HETATM   74  H   UNL     1       3.602  -1.950  -0.573  1.00  0.00           H  
HETATM   75  H   UNL     1       4.618  -0.987  -2.619  1.00  0.00           H  
HETATM   76  H   UNL     1       4.604   0.626  -1.867  1.00  0.00           H  
HETATM   77  H   UNL     1       6.025  -1.714  -0.776  1.00  0.00           H  
HETATM   78  H   UNL     1       7.046  -0.874  -2.815  1.00  0.00           H  
HETATM   79  H   UNL     1       7.031   0.739  -2.062  1.00  0.00           H  
HETATM   80  H   UNL     1       8.446  -0.112  -0.212  1.00  0.00           H  
HETATM   81  H   UNL     1       8.460  -1.725  -0.964  1.00  0.00           H  
HETATM   82  H   UNL     1       9.536  -0.772  -2.985  1.00  0.00           H  
HETATM   83  H   UNL     1       9.522   0.841  -2.232  1.00  0.00           H  
HETATM   84  H   UNL     1      10.825  -0.948  -0.478  1.00  0.00           H  
HETATM   85  H   UNL     1      13.224  -1.531  -0.745  1.00  0.00           H  
HETATM   86  H   UNL     1      14.498   0.261  -2.710  1.00  0.00           H  
HETATM   87  H   UNL     1      15.266  -0.895  -1.794  1.00  0.00           H  
HETATM   88  H   UNL     1      13.780   1.469  -0.724  1.00  0.00           H  
HETATM   89  H   UNL     1      12.759   0.622   0.463  1.00  0.00           H  
HETATM   90  H   UNL     1      14.682  -0.810   1.095  1.00  0.00           H  
HETATM   91  H   UNL     1      15.703   0.037  -0.092  1.00  0.00           H  
HETATM   92  H   UNL     1      15.326   2.174   1.107  1.00  0.00           H  
HETATM   93  H   UNL     1      14.305   1.327   2.295  1.00  0.00           H  
HETATM   94  H   UNL     1      16.811   0.029   2.189  1.00  0.00           H  
HETATM   95  H   UNL     1      15.398   3.049   3.128  1.00  0.00           H  
HETATM   96  H   UNL     1      18.396   0.516   3.899  1.00  0.00           H  
HETATM   97  H   UNL     1      18.260   1.932   4.792  1.00  0.00           H  
CONECT    1    2   46                                                 
CONECT    2    8    1    3    3                                       
CONECT    3    2    2    4   47                                       
CONECT    4    6    6    3    5                                       
CONECT    5    4   48                                                 
CONECT    6    7    4    4   49                                       
CONECT    7    8    8    6   50                                       
CONECT    8    9    7    7    2                                       
CONECT    9   10    8   51   52                                       
CONECT   10   12   11   11    9                                       
CONECT   11   10   10                                                 
CONECT   12   13   10   53                                            
CONECT   13   18   14   12   54                                       
CONECT   14   13   15   55   56                                       
CONECT   15   14   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   57   58                                            
CONECT   18   20   19   19   13                                       
CONECT   19   18   18                                                 
CONECT   20   21   18   59                                            
CONECT   21   22   20   60   61                                       
CONECT   22   23   21   62   63                                       
CONECT   23   24   22   64   65                                       
CONECT   24   25   23   66   67                                       
CONECT   25   26   24   68   69                                       
CONECT   26   27   25   70                                            
CONECT   27   28   26   71   72                                       
CONECT   28   29   27   73   74                                       
CONECT   29   30   28   75   76                                       
CONECT   30   31   29   77                                            
CONECT   31   32   30   78   79                                       
CONECT   32   33   31   80   81                                       
CONECT   33   34   32   82   83                                       
CONECT   34   35   33   84                                            
CONECT   35   37   36   36   34                                       
CONECT   36   35   35                                                 
CONECT   37   39   38   35   85                                       
CONECT   38   37   86   87                                            
CONECT   39   40   37   88   89                                       
CONECT   40   41   39   90   91                                       
CONECT   41   42   40   92   93                                       
CONECT   42   43   41   94                                            
CONECT   43   45   44   44   42                                       
CONECT   44   43   43   95                                            
CONECT   45   43   96   97                                            
CONECT   46    1                                                      
CONECT   47    3                                                      
CONECT   48    5                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51    9                                                      
CONECT   52    9                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   14                                                      
CONECT   57   17                                                      
CONECT   58   17                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   22                                                      
CONECT   64   23                                                      
CONECT   65   23                                                      
CONECT   66   24                                                      
CONECT   67   24                                                      
CONECT   68   25                                                      
CONECT   69   25                                                      
CONECT   70   26                                                      
CONECT   71   27                                                      
CONECT   72   27                                                      
CONECT   73   28                                                      
CONECT   74   28                                                      
CONECT   75   29                                                      
CONECT   76   29                                                      
CONECT   77   30                                                      
CONECT   78   31                                                      
CONECT   79   31                                                      
CONECT   80   32                                                      
CONECT   81   32                                                      
CONECT   82   33                                                      
CONECT   83   33                                                      
CONECT   84   34                                                      
CONECT   85   37                                                      
CONECT   86   38                                                      
CONECT   87   38                                                      
CONECT   88   39                                                      
CONECT   89   39                                                      
CONECT   90   40                                                      
CONECT   91   40                                                      
CONECT   92   41                                                      
CONECT   93   41                                                      
CONECT   94   42                                                      
CONECT   95   44                                                      
CONECT   96   45                                                      
CONECT   97   45                                                      
MASTER        0    0    0    0    0    0    0    0   97    0   97    0
END
