COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       5.367  -0.206   1.618  1.00  0.00           O  
HETATM    2  C   UNL     1       5.693  -0.522   0.264  1.00  0.00           C  
HETATM    3  C   UNL     1       4.519  -0.150  -0.644  1.00  0.00           C  
HETATM    4  C   UNL     1       6.934   0.267  -0.159  1.00  0.00           C  
HETATM    5  N   UNL     1       6.662   1.706  -0.043  1.00  0.00           N  
HETATM    6  C   UNL     1       8.108  -0.104   0.749  1.00  0.00           C  
HETATM    7  C   UNL     1       9.379   0.583   0.246  1.00  0.00           C  
HETATM    8  C   UNL     1      10.510   0.364   1.253  1.00  0.00           C  
HETATM    9  C   UNL     1       9.778  -0.009  -1.107  1.00  0.00           C  
HETATM   10  N   UNL     1       3.328  -0.908  -0.239  1.00  0.00           N  
HETATM   11  C   UNL     1       2.148  -0.484  -1.005  1.00  0.00           C  
HETATM   12  C   UNL     1       0.972  -0.336  -0.075  1.00  0.00           C  
HETATM   13  O   UNL     1       1.060  -0.704   1.078  1.00  0.00           O  
HETATM   14  C   UNL     1       1.827  -1.534  -2.070  1.00  0.00           C  
HETATM   15  C   UNL     1       3.029  -1.698  -3.003  1.00  0.00           C  
HETATM   16  C   UNL     1       1.522  -2.871  -1.392  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.178   0.206  -0.523  1.00  0.00           N  
HETATM   18  C   UNL     1      -1.283   0.452   0.406  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.580   0.508  -0.359  1.00  0.00           C  
HETATM   20  O   UNL     1      -2.567   0.566  -1.571  1.00  0.00           O  
HETATM   21  C   UNL     1      -1.058   1.783   1.126  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.139   1.976   2.191  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.130   2.928   0.113  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.963   0.928   3.292  1.00  0.00           C  
HETATM   25  N   UNL     1      -3.754   0.493   0.302  1.00  0.00           N  
HETATM   26  C   UNL     1      -5.013   0.613  -0.437  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.326   2.069  -0.665  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.142  -0.031   0.370  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.892  -1.512   0.494  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.161  -2.003   1.560  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.397  -2.379  -0.456  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.931  -3.361   1.673  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.167  -3.738  -0.344  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.432  -4.228   0.720  1.00  0.00           C  
HETATM   35  O   UNL     1      -4.573   2.920  -0.253  1.00  0.00           O  
HETATM   36  C   UNL     1      -6.675   3.842  -1.510  1.00  0.00           C  
HETATM   37  O   UNL     1      -6.439   2.421  -1.327  1.00  0.00           O  
HETATM   38  H   UNL     1       4.317   0.918  -0.559  1.00  0.00           H  
HETATM   39  H   UNL     1       4.768  -0.391  -1.678  1.00  0.00           H  
HETATM   40  H   UNL     1       7.184   0.027  -1.192  1.00  0.00           H  
HETATM   41  H   UNL     1       6.530   1.973   0.921  1.00  0.00           H  
HETATM   42  H   UNL     1       7.398   2.249  -0.472  1.00  0.00           H  
HETATM   43  H   UNL     1       7.898   0.222   1.767  1.00  0.00           H  
HETATM   44  H   UNL     1       8.250  -1.185   0.735  1.00  0.00           H  
HETATM   45  H   UNL     1       9.195   1.652   0.134  1.00  0.00           H  
HETATM   46  H   UNL     1      10.753  -0.698   1.300  1.00  0.00           H  
HETATM   47  H   UNL     1      11.391   0.924   0.938  1.00  0.00           H  
HETATM   48  H   UNL     1      10.193   0.708   2.237  1.00  0.00           H  
HETATM   49  H   UNL     1       8.973   0.147  -1.824  1.00  0.00           H  
HETATM   50  H   UNL     1      10.684   0.481  -1.465  1.00  0.00           H  
HETATM   51  H   UNL     1       9.963  -1.078  -0.995  1.00  0.00           H  
HETATM   52  H   UNL     1       3.482  -1.901  -0.332  1.00  0.00           H  
HETATM   53  H   UNL     1       2.353   0.472  -1.487  1.00  0.00           H  
HETATM   54  H   UNL     1       0.960  -1.213  -2.647  1.00  0.00           H  
HETATM   55  H   UNL     1       3.864  -2.127  -2.448  1.00  0.00           H  
HETATM   56  H   UNL     1       2.762  -2.360  -3.826  1.00  0.00           H  
HETATM   57  H   UNL     1       3.318  -0.725  -3.398  1.00  0.00           H  
HETATM   58  H   UNL     1       2.362  -3.158  -0.760  1.00  0.00           H  
HETATM   59  H   UNL     1       0.625  -2.772  -0.781  1.00  0.00           H  
HETATM   60  H   UNL     1       1.361  -3.636  -2.152  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.273   0.433  -1.461  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.328  -0.354   1.139  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.077   1.778   1.600  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.050   2.974   2.622  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.122   1.863   1.736  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.139   2.990  -0.295  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.881   3.867   0.608  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.421   2.744  -0.694  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.770   1.025   4.018  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.988  -0.069   2.851  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.005   1.081   3.790  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.766   0.403   1.268  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.920   0.106  -1.398  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.178   0.416   1.364  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.093   0.136  -0.137  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.770  -1.325   2.304  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.971  -1.996  -1.287  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.360  -3.744   2.505  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.561  -4.416  -1.086  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.252  -5.290   0.808  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.748   4.327  -0.536  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.850   4.278  -2.072  1.00  0.00           H  
HETATM   83  H   UNL     1      -7.606   3.988  -2.058  1.00  0.00           H  
HETATM   84  H   UNL     1       5.175   0.730   1.769  1.00  0.00           H  
HETATM   85  H   UNL     1       5.895  -1.589   0.178  1.00  0.00           H  
CONECT    1    2   84                                                 
CONECT    2    1    3    4   85                                       
CONECT    3    2   38   39   10                                       
CONECT    4    2    5    6   40                                       
CONECT    5    4   41   42                                            
CONECT    6    4    7   43   44                                       
CONECT    7    6    8    9   45                                       
CONECT    8    7   46   47   48                                       
CONECT    9    7   49   50   51                                       
CONECT   10    3   11   52                                            
CONECT   11   10   12   14   53                                       
CONECT   12   11   13   13   17                                       
CONECT   13   12   12                                                 
CONECT   14   11   15   16   54                                       
CONECT   15   14   55   56   57                                       
CONECT   16   14   58   59   60                                       
CONECT   17   12   18   61                                            
CONECT   18   17   19   21   62                                       
CONECT   19   18   20   20   25                                       
CONECT   20   19   19                                                 
CONECT   21   18   22   23   63                                       
CONECT   22   21   24   64   65                                       
CONECT   23   21   66   67   68                                       
CONECT   24   22   69   70   71                                       
CONECT   25   19   26   72                                            
CONECT   26   25   27   28   73                                       
CONECT   27   26   35   35   37                                       
CONECT   28   26   29   74   75                                       
CONECT   29   28   30   31   31                                       
CONECT   30   29   32   32   76                                       
CONECT   31   29   29   33   77                                       
CONECT   32   30   30   34   78                                       
CONECT   33   31   34   34   79                                       
CONECT   34   32   33   33   80                                       
CONECT   35   27   27                                                 
CONECT   36   81   82   83   37                                       
CONECT   37   27   36                                                 
CONECT   38    3                                                      
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50    9                                                      
CONECT   51    9                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   14                                                      
CONECT   55   15                                                      
CONECT   56   15                                                      
CONECT   57   15                                                      
CONECT   58   16                                                      
CONECT   59   16                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   18                                                      
CONECT   63   21                                                      
CONECT   64   22                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   23                                                      
CONECT   68   23                                                      
CONECT   69   24                                                      
CONECT   70   24                                                      
CONECT   71   24                                                      
CONECT   72   25                                                      
CONECT   73   26                                                      
CONECT   74   28                                                      
CONECT   75   28                                                      
CONECT   76   30                                                      
CONECT   77   31                                                      
CONECT   78   32                                                      
CONECT   79   33                                                      
CONECT   80   34                                                      
CONECT   81   36                                                      
CONECT   82   36                                                      
CONECT   83   36                                                      
CONECT   84    1                                                      
CONECT   85    2                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
