COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.554   0.465   1.472  1.00  0.00           C  
HETATM    2  C   UNL     1       5.179  -0.942   1.941  1.00  0.00           C  
HETATM    3  C   UNL     1       4.623  -1.726   0.780  1.00  0.00           C  
HETATM    4  C   UNL     1       5.298  -2.555  -0.010  1.00  0.00           C  
HETATM    5  C   UNL     1       6.768  -2.865   0.113  1.00  0.00           C  
HETATM    6  C   UNL     1       4.398  -3.122  -1.019  1.00  0.00           C  
HETATM    7  O   UNL     1       4.728  -3.914  -1.882  1.00  0.00           O  
HETATM    8  N   UNL     1       3.153  -2.638  -0.851  1.00  0.00           N  
HETATM    9  C   UNL     1       3.191  -1.725   0.299  1.00  0.00           C  
HETATM   10  C   UNL     1       2.261  -2.227   1.406  1.00  0.00           C  
HETATM   11  C   UNL     1       0.828  -2.087   0.961  1.00  0.00           C  
HETATM   12  N   UNL     1       0.069  -0.984   1.110  1.00  0.00           N  
HETATM   13  C   UNL     1       0.098  -3.053   0.338  1.00  0.00           C  
HETATM   14  C   UNL     1       0.581  -4.435  -0.020  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.171  -2.542   0.091  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.313  -3.260  -0.580  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.146  -3.991   0.475  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.288  -4.709  -0.196  1.00  0.00           C  
HETATM   19  O   UNL     1      -5.156  -5.423   0.538  1.00  0.00           O  
HETATM   20  O   UNL     1      -4.422  -4.643  -1.395  1.00  0.00           O  
HETATM   21  C   UNL     1      -1.183  -1.234   0.581  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.259  -0.344   0.541  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.046   1.026   0.763  1.00  0.00           C  
HETATM   24  N   UNL     1      -0.855   1.621   0.910  1.00  0.00           N  
HETATM   25  C   UNL     1      -3.053   2.017   0.863  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.541   1.802   0.753  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.952   1.824  -0.720  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.439   1.609  -0.830  1.00  0.00           C  
HETATM   29  O   UNL     1      -7.102   1.454   0.168  1.00  0.00           O  
HETATM   30  O   UNL     1      -7.027   1.590  -2.037  1.00  0.00           O  
HETATM   31  C   UNL     1      -2.419   3.200   1.078  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.069   4.548   1.252  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.031   2.924   1.104  1.00  0.00           C  
HETATM   34  C   UNL     1       0.031   3.908   1.305  1.00  0.00           C  
HETATM   35  C   UNL     1       1.169   3.859   0.534  1.00  0.00           C  
HETATM   36  C   UNL     1       1.388   3.017  -0.580  1.00  0.00           C  
HETATM   37  C   UNL     1       0.418   2.010  -1.141  1.00  0.00           C  
HETATM   38  C   UNL     1       2.634   3.284  -1.053  1.00  0.00           C  
HETATM   39  C   UNL     1       3.291   2.622  -2.236  1.00  0.00           C  
HETATM   40  C   UNL     1       3.066   3.473  -3.488  1.00  0.00           C  
HETATM   41  C   UNL     1       3.203   4.290  -0.245  1.00  0.00           C  
HETATM   42  O   UNL     1       4.315   4.771  -0.385  1.00  0.00           O  
HETATM   43  N   UNL     1       2.313   4.634   0.705  1.00  0.00           N  
HETATM   44  H   UNL     1       6.367   0.403   0.748  1.00  0.00           H  
HETATM   45  H   UNL     1       4.688   0.936   1.006  1.00  0.00           H  
HETATM   46  H   UNL     1       5.874   1.060   2.327  1.00  0.00           H  
HETATM   47  H   UNL     1       6.066  -1.444   2.327  1.00  0.00           H  
HETATM   48  H   UNL     1       4.428  -0.875   2.727  1.00  0.00           H  
HETATM   49  H   UNL     1       7.056  -3.574  -0.663  1.00  0.00           H  
HETATM   50  H   UNL     1       7.344  -1.947  -0.001  1.00  0.00           H  
HETATM   51  H   UNL     1       6.967  -3.299   1.093  1.00  0.00           H  
HETATM   52  H   UNL     1       2.375  -2.856  -1.387  1.00  0.00           H  
HETATM   53  H   UNL     1       2.899  -0.721  -0.011  1.00  0.00           H  
HETATM   54  H   UNL     1       2.477  -3.275   1.613  1.00  0.00           H  
HETATM   55  H   UNL     1       2.420  -1.638   2.309  1.00  0.00           H  
HETATM   56  H   UNL     1       0.353  -0.153   1.521  1.00  0.00           H  
HETATM   57  H   UNL     1       0.380  -5.116   0.807  1.00  0.00           H  
HETATM   58  H   UNL     1       0.060  -4.782  -0.912  1.00  0.00           H  
HETATM   59  H   UNL     1       1.653  -4.406  -0.214  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.940  -2.537  -1.101  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.918  -3.981  -1.295  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.518  -4.714   0.996  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.540  -3.270   1.190  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.873  -5.866   0.063  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.255  -0.710   0.340  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.801   0.837   1.188  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.063   2.595   1.288  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.691   2.789  -1.156  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.429   1.031  -1.255  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.984   1.449  -2.057  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.279   4.717   2.308  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.398   5.325   0.885  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.001   4.577   0.687  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.078   4.673   2.060  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.535   2.497  -1.345  1.00  0.00           H  
HETATM   76  H   UNL     1       0.819   1.594  -2.065  1.00  0.00           H  
HETATM   77  H   UNL     1       0.268   1.208  -0.417  1.00  0.00           H  
HETATM   78  H   UNL     1       4.361   2.526  -2.050  1.00  0.00           H  
HETATM   79  H   UNL     1       2.858   1.633  -2.386  1.00  0.00           H  
HETATM   80  H   UNL     1       3.465   2.952  -4.358  1.00  0.00           H  
HETATM   81  H   UNL     1       1.998   3.642  -3.624  1.00  0.00           H  
HETATM   82  H   UNL     1       3.574   4.430  -3.373  1.00  0.00           H  
HETATM   83  H   UNL     1       2.447   5.305   1.393  1.00  0.00           H  
CONECT    1    2   44   45   46                                       
CONECT    2    1    3   47   48                                       
CONECT    3    4    4    2    9                                       
CONECT    4    5    6    3    3                                       
CONECT    5    4   49   50   51                                       
CONECT    6    7    7    4    8                                       
CONECT    7    6    6                                                 
CONECT    8    6    9   52                                            
CONECT    9    3    8   10   53                                       
CONECT   10    9   11   54   55                                       
CONECT   11   10   13   13   12                                       
CONECT   12   11   21   56                                            
CONECT   13   14   11   11   15                                       
CONECT   14   13   57   58   59                                       
CONECT   15   13   21   21   16                                       
CONECT   16   15   17   60   61                                       
CONECT   17   16   18   62   63                                       
CONECT   18   17   20   20   19                                       
CONECT   19   18   64                                                 
CONECT   20   18   18                                                 
CONECT   21   12   15   15   22                                       
CONECT   22   21   23   23   65                                       
CONECT   23   24   22   22   25                                       
CONECT   24   33   33   23                                            
CONECT   25   23   31   31   26                                       
CONECT   26   25   27   66   67                                       
CONECT   27   26   28   68   69                                       
CONECT   28   29   29   30   27                                       
CONECT   29   28   28                                                 
CONECT   30   28   70                                                 
CONECT   31   33   25   25   32                                       
CONECT   32   31   71   72   73                                       
CONECT   33   34   24   24   31                                       
CONECT   34   35   35   33   74                                       
CONECT   35   43   34   34   36                                       
CONECT   36   35   38   38   37                                       
CONECT   37   36   75   76   77                                       
CONECT   38   41   36   36   39                                       
CONECT   39   38   40   78   79                                       
CONECT   40   39   80   81   82                                       
CONECT   41   43   42   42   38                                       
CONECT   42   41   41                                                 
CONECT   43   35   41   83                                            
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    2                                                      
CONECT   48    2                                                      
CONECT   49    5                                                      
CONECT   50    5                                                      
CONECT   51    5                                                      
CONECT   52    8                                                      
CONECT   53    9                                                      
CONECT   54   10                                                      
CONECT   55   10                                                      
CONECT   56   12                                                      
CONECT   57   14                                                      
CONECT   58   14                                                      
CONECT   59   14                                                      
CONECT   60   16                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   17                                                      
CONECT   64   19                                                      
CONECT   65   22                                                      
CONECT   66   26                                                      
CONECT   67   26                                                      
CONECT   68   27                                                      
CONECT   69   27                                                      
CONECT   70   30                                                      
CONECT   71   32                                                      
CONECT   72   32                                                      
CONECT   73   32                                                      
CONECT   74   34                                                      
CONECT   75   37                                                      
CONECT   76   37                                                      
CONECT   77   37                                                      
CONECT   78   39                                                      
CONECT   79   39                                                      
CONECT   80   40                                                      
CONECT   81   40                                                      
CONECT   82   40                                                      
CONECT   83   43                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
