COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       5.521  -1.611   1.066  1.00  0.00           O  
HETATM    2  C   UNL     1       5.522  -0.412   0.872  1.00  0.00           C  
HETATM    3  O   UNL     1       6.643   0.200   0.445  1.00  0.00           O  
HETATM    4  C   UNL     1       7.812  -0.636   0.239  1.00  0.00           C  
HETATM    5  C   UNL     1       7.498  -1.701  -0.814  1.00  0.00           C  
HETATM    6  C   UNL     1       8.979   0.229  -0.242  1.00  0.00           C  
HETATM    7  C   UNL     1       8.191  -1.317   1.556  1.00  0.00           C  
HETATM    8  N   UNL     1       4.399   0.305   1.078  1.00  0.00           N  
HETATM    9  C   UNL     1       3.167  -0.349   1.538  1.00  0.00           C  
HETATM   10  C   UNL     1       2.030   0.011   0.576  1.00  0.00           C  
HETATM   11  C   UNL     1       4.387   1.757   0.853  1.00  0.00           C  
HETATM   12  C   UNL     1       3.239   2.098  -0.102  1.00  0.00           C  
HETATM   13  C   UNL     1       1.928   1.534   0.461  1.00  0.00           C  
HETATM   14  C   UNL     1       0.772   1.902  -0.472  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.493   1.454   0.117  1.00  0.00           N  
HETATM   16  S   UNL     1      -1.379   2.488   1.059  1.00  0.00           S  
HETATM   17  O   UNL     1      -2.022   1.686   2.040  1.00  0.00           O  
HETATM   18  O   UNL     1      -0.520   3.573   1.382  1.00  0.00           O  
HETATM   19  C   UNL     1      -2.657   3.152   0.044  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.979   2.843   0.306  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.981   3.365  -0.490  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.662   4.194  -1.549  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.341   4.503  -1.811  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.339   3.987  -1.011  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.898   4.328  -1.293  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.973   0.092  -0.128  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.201   0.140  -1.040  1.00  0.00           C  
HETATM   28  N   UNL     1      -2.713  -1.218  -1.241  1.00  0.00           N  
HETATM   29  C   UNL     1      -3.571  -1.784  -0.302  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.026  -1.022   0.771  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.874  -1.579   1.701  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.976  -3.108  -0.441  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.825  -3.671   0.485  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.279  -2.911   1.567  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.161  -3.493   2.533  1.00  0.00           C  
HETATM   36  N   UNL     1      -6.862  -3.955   3.299  1.00  0.00           N  
HETATM   37  C   UNL     1      -2.323  -1.980  -2.430  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.062  -2.753  -2.139  1.00  0.00           C  
HETATM   39  C   UNL     1      -0.984  -4.027  -1.710  1.00  0.00           C  
HETATM   40  N   UNL     1       0.314  -4.339  -1.574  1.00  0.00           N  
HETATM   41  C   UNL     1       1.042  -3.307  -1.903  1.00  0.00           C  
HETATM   42  N   UNL     1       0.222  -2.298  -2.267  1.00  0.00           N  
HETATM   43  C   UNL     1       0.631  -0.962  -2.708  1.00  0.00           C  
HETATM   44  H   UNL     1       7.228  -1.215  -1.752  1.00  0.00           H  
HETATM   45  H   UNL     1       8.376  -2.328  -0.969  1.00  0.00           H  
HETATM   46  H   UNL     1       6.667  -2.317  -0.472  1.00  0.00           H  
HETATM   47  H   UNL     1       9.202   0.988   0.508  1.00  0.00           H  
HETATM   48  H   UNL     1       9.856  -0.398  -0.397  1.00  0.00           H  
HETATM   49  H   UNL     1       8.709   0.714  -1.180  1.00  0.00           H  
HETATM   50  H   UNL     1       7.360  -1.933   1.898  1.00  0.00           H  
HETATM   51  H   UNL     1       9.069  -1.944   1.401  1.00  0.00           H  
HETATM   52  H   UNL     1       8.414  -0.559   2.306  1.00  0.00           H  
HETATM   53  H   UNL     1       3.309  -1.430   1.548  1.00  0.00           H  
HETATM   54  H   UNL     1       2.922  -0.003   2.542  1.00  0.00           H  
HETATM   55  H   UNL     1       2.234  -0.415  -0.405  1.00  0.00           H  
HETATM   56  H   UNL     1       1.090  -0.389   0.958  1.00  0.00           H  
HETATM   57  H   UNL     1       4.238   2.273   1.802  1.00  0.00           H  
HETATM   58  H   UNL     1       5.335   2.067   0.414  1.00  0.00           H  
HETATM   59  H   UNL     1       3.158   3.181  -0.202  1.00  0.00           H  
HETATM   60  H   UNL     1       3.434   1.656  -1.079  1.00  0.00           H  
HETATM   61  H   UNL     1       1.745   1.956   1.449  1.00  0.00           H  
HETATM   62  H   UNL     1       0.746   2.983  -0.610  1.00  0.00           H  
HETATM   63  H   UNL     1       0.915   1.416  -1.437  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.228   2.195   1.133  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.014   3.123  -0.286  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.446   4.601  -2.171  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.092   5.151  -2.638  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.448   3.538  -1.894  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.848   5.271  -1.838  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.356   4.424  -0.352  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.186  -0.490  -0.608  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.243  -0.374   0.820  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.973   0.755  -0.578  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.921   0.569  -2.002  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.713   0.006   0.873  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.227  -0.988   2.533  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.624  -3.695  -1.277  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.139  -4.698   0.376  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.121  -2.672  -2.695  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.146  -1.294  -3.258  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.818  -4.682  -1.510  1.00  0.00           H  
HETATM   82  H   UNL     1       2.121  -3.268  -1.890  1.00  0.00           H  
HETATM   83  H   UNL     1       0.771  -0.963  -3.789  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.141  -0.240  -2.442  1.00  0.00           H  
HETATM   85  H   UNL     1       1.567  -0.689  -2.220  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    8    3                                       
CONECT    3    2    4                                                 
CONECT    4    3    7    5    6                                       
CONECT    5    4   44   45   46                                       
CONECT    6    4   47   48   49                                       
CONECT    7    4   50   51   52                                       
CONECT    8    2   11    9                                            
CONECT    9    8   10   53   54                                       
CONECT   10    9   13   55   56                                       
CONECT   11    8   12   57   58                                       
CONECT   12   11   13   59   60                                       
CONECT   13   10   12   14   61                                       
CONECT   14   13   15   62   63                                       
CONECT   15   14   26   16                                            
CONECT   16   15   17   17   19                                       
CONECT   16   18   18                                                 
CONECT   17   16   16                                                 
CONECT   18   16   16                                                 
CONECT   19   16   24   24   20                                       
CONECT   20   19   21   21   64                                       
CONECT   21   20   20   22   65                                       
CONECT   22   21   23   23   66                                       
CONECT   23   22   22   24   67                                       
CONECT   24   19   19   23   25                                       
CONECT   25   24   68   69   70                                       
CONECT   26   15   27   71   72                                       
CONECT   27   26   28   73   74                                       
CONECT   28   27   37   29                                            
CONECT   29   28   30   30   32                                       
CONECT   30   29   29   31   75                                       
CONECT   31   30   34   34   76                                       
CONECT   32   29   33   33   77                                       
CONECT   33   32   32   34   78                                       
CONECT   34   31   31   33   35                                       
CONECT   35   34   36   36   36                                       
CONECT   36   35   35   35                                            
CONECT   37   28   38   79   80                                       
CONECT   38   37   42   39   39                                       
CONECT   39   38   38   40   81                                       
CONECT   40   39   41   41                                            
CONECT   41   40   40   42   82                                       
CONECT   42   38   41   43                                            
CONECT   43   42   83   84   85                                       
CONECT   44    5                                                      
CONECT   45    5                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48    6                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51    7                                                      
CONECT   52    7                                                      
CONECT   53    9                                                      
CONECT   54    9                                                      
CONECT   55   10                                                      
CONECT   56   10                                                      
CONECT   57   11                                                      
CONECT   58   11                                                      
CONECT   59   12                                                      
CONECT   60   12                                                      
CONECT   61   13                                                      
CONECT   62   14                                                      
CONECT   63   14                                                      
CONECT   64   20                                                      
CONECT   65   21                                                      
CONECT   66   22                                                      
CONECT   67   23                                                      
CONECT   68   25                                                      
CONECT   69   25                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   26                                                      
CONECT   73   27                                                      
CONECT   74   27                                                      
CONECT   75   30                                                      
CONECT   76   31                                                      
CONECT   77   32                                                      
CONECT   78   33                                                      
CONECT   79   37                                                      
CONECT   80   37                                                      
CONECT   81   39                                                      
CONECT   82   41                                                      
CONECT   83   43                                                      
CONECT   84   43                                                      
CONECT   85   43                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
