COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.921  -0.291   0.463  1.00  0.00           C  
HETATM    2  C   UNL     1       0.740  -1.562   0.975  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.489  -2.208   0.834  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.516  -1.568   0.136  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.319  -0.318  -0.400  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.095   0.320  -0.251  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.974  -3.521   1.297  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.226  -3.724   0.927  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.694  -2.511   0.157  1.00  0.00           C  
HETATM   10  O   UNL     1      -3.804  -1.902   0.820  1.00  0.00           O  
HETATM   11  C   UNL     1       0.351   1.685  -0.738  1.00  0.00           C  
HETATM   12  C   UNL     1       1.655   1.992   0.048  1.00  0.00           C  
HETATM   13  C   UNL     1       2.143   0.602   0.480  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.081  -2.907  -1.270  1.00  0.00           C  
HETATM   15  O   UNL     1      -3.576  -1.750  -2.005  1.00  0.00           O  
HETATM   16  C   UNL     1      -4.846  -1.977  -2.371  1.00  0.00           C  
HETATM   17  O   UNL     1      -5.507  -1.174  -2.998  1.00  0.00           O  
HETATM   18  O   UNL     1      -5.316  -3.167  -1.984  1.00  0.00           O  
HETATM   19  C   UNL     1      -4.275  -3.881  -1.256  1.00  0.00           C  
HETATM   20  O   UNL     1       1.254   2.780   1.204  1.00  0.00           O  
HETATM   21  C   UNL     1       0.186   3.528   0.860  1.00  0.00           C  
HETATM   22  O   UNL     1      -0.075   4.629   1.283  1.00  0.00           O  
HETATM   23  C   UNL     1      -0.624   2.750  -0.145  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.997   3.678  -1.271  1.00  0.00           C  
HETATM   25  O   UNL     1      -0.142   4.279  -1.890  1.00  0.00           O  
HETATM   26  C   UNL     1      -2.362   3.834  -1.590  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.329   3.175  -0.920  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.046   2.254   0.182  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.721   2.027   0.586  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.448   1.165   1.618  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.490   0.511   2.270  1.00  0.00           C  
HETATM   32  O   UNL     1      -2.221  -0.342   3.291  1.00  0.00           O  
HETATM   33  C   UNL     1      -3.806   0.728   1.876  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.089   1.591   0.842  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.517   1.822   0.420  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.817  -0.255   3.541  1.00  0.00           C  
HETATM   37  O   UNL     1       3.121   0.115  -0.441  1.00  0.00           O  
HETATM   38  C   UNL     1       4.399   0.331   0.163  1.00  0.00           C  
HETATM   39  C   UNL     1       5.495   0.097  -0.880  1.00  0.00           C  
HETATM   40  N   UNL     1       5.330   1.048  -1.987  1.00  0.00           N1+
HETATM   41  C   UNL     1       5.553   2.414  -1.497  1.00  0.00           C  
HETATM   42  C   UNL     1       5.382  -1.336  -1.413  1.00  0.00           C  
HETATM   43  O   UNL     1       6.488  -1.615  -2.274  1.00  0.00           O  
HETATM   44  C   UNL     1       5.395  -2.304  -0.224  1.00  0.00           C  
HETATM   45  O   UNL     1       6.671  -2.256   0.418  1.00  0.00           O  
HETATM   46  C   UNL     1       4.305  -1.890   0.767  1.00  0.00           C  
HETATM   47  C   UNL     1       4.288  -2.869   1.943  1.00  0.00           C  
HETATM   48  O   UNL     1       4.567  -0.574   1.252  1.00  0.00           O  
HETATM   49  H   UNL     1       1.543  -2.046   1.510  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.118   0.169  -0.938  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.382  -4.225   1.864  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.814  -4.604   1.139  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.534  -1.751   1.736  1.00  0.00           H  
HETATM   54  H   UNL     1       0.446   1.744  -1.822  1.00  0.00           H  
HETATM   55  H   UNL     1       2.392   2.512  -0.564  1.00  0.00           H  
HETATM   56  H   UNL     1       2.562   0.646   1.485  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.230  -3.352  -1.786  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.017  -4.808  -1.768  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.592  -4.082  -0.233  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.640   4.500  -2.394  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.358   3.335  -1.208  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.427   0.995   1.925  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.611   0.218   2.385  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.790   1.101  -0.349  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.175   1.701   1.282  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.620   2.833   0.024  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.573   0.742   3.907  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.535  -0.996   4.290  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.271  -0.447   2.618  1.00  0.00           H  
HETATM   70  H   UNL     1       4.458   1.355   0.530  1.00  0.00           H  
HETATM   71  H   UNL     1       6.472   0.239  -0.419  1.00  0.00           H  
HETATM   72  H   UNL     1       4.396   0.972  -2.360  1.00  0.00           H  
HETATM   73  H   UNL     1       6.000   0.838  -2.713  1.00  0.00           H  
HETATM   74  H   UNL     1       5.431   3.120  -2.318  1.00  0.00           H  
HETATM   75  H   UNL     1       4.830   2.641  -0.713  1.00  0.00           H  
HETATM   76  H   UNL     1       6.562   2.496  -1.094  1.00  0.00           H  
HETATM   77  H   UNL     1       4.450  -1.448  -1.966  1.00  0.00           H  
HETATM   78  H   UNL     1       6.377  -2.524  -2.586  1.00  0.00           H  
HETATM   79  H   UNL     1       5.201  -3.317  -0.577  1.00  0.00           H  
HETATM   80  H   UNL     1       6.635  -2.878   1.157  1.00  0.00           H  
HETATM   81  H   UNL     1       3.336  -1.906   0.268  1.00  0.00           H  
HETATM   82  H   UNL     1       5.214  -2.773   2.509  1.00  0.00           H  
HETATM   83  H   UNL     1       3.440  -2.645   2.590  1.00  0.00           H  
HETATM   84  H   UNL     1       4.197  -3.888   1.565  1.00  0.00           H  
CONECT    1    2    2    6   13                                       
CONECT    2    1    1    3   49                                       
CONECT    3    2    4    4    7                                       
CONECT    4    3    3    5    9                                       
CONECT    5    4    6    6   50                                       
CONECT    6    1    5    5   11                                       
CONECT    7    3    8    8   51                                       
CONECT    8    7    7    9   52                                       
CONECT    9    4    8   10   14                                       
CONECT   10    9   53                                                 
CONECT   11    6   12   23   54                                       
CONECT   12   11   13   20   55                                       
CONECT   13    1   12   37   56                                       
CONECT   14    9   15   19   57                                       
CONECT   15   14   16                                                 
CONECT   16   15   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   19                                                 
CONECT   19   14   18   58   59                                       
CONECT   20   12   21                                                 
CONECT   21   20   22   22   23                                       
CONECT   22   21   21                                                 
CONECT   23   11   21   24   29                                       
CONECT   24   23   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   27   27   60                                       
CONECT   27   26   26   28   61                                       
CONECT   28   27   29   29   34                                       
CONECT   29   23   28   28   30                                       
CONECT   30   29   31   31   62                                       
CONECT   31   30   30   32   33                                       
CONECT   32   31   36                                                 
CONECT   33   31   34   34   63                                       
CONECT   34   28   33   33   35                                       
CONECT   35   34   64   65   66                                       
CONECT   36   32   67   68   69                                       
CONECT   37   13   38                                                 
CONECT   38   37   39   48   70                                       
CONECT   39   38   40   42   71                                       
CONECT   40   39   41   72   73                                       
CONECT   41   40   74   75   76                                       
CONECT   42   39   43   44   77                                       
CONECT   43   42   78                                                 
CONECT   44   42   45   46   79                                       
CONECT   45   44   80                                                 
CONECT   46   44   47   48   81                                       
CONECT   47   46   82   83   84                                       
CONECT   48   38   46                                                 
CONECT   49    2                                                      
CONECT   50    5                                                      
CONECT   51    7                                                      
CONECT   52    8                                                      
CONECT   53   10                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   19                                                      
CONECT   59   19                                                      
CONECT   60   26                                                      
CONECT   61   27                                                      
CONECT   62   30                                                      
CONECT   63   33                                                      
CONECT   64   35                                                      
CONECT   65   35                                                      
CONECT   66   35                                                      
CONECT   67   36                                                      
CONECT   68   36                                                      
CONECT   69   36                                                      
CONECT   70   38                                                      
CONECT   71   39                                                      
CONECT   72   40                                                      
CONECT   73   40                                                      
CONECT   74   41                                                      
CONECT   75   41                                                      
CONECT   76   41                                                      
CONECT   77   42                                                      
CONECT   78   43                                                      
CONECT   79   44                                                      
CONECT   80   45                                                      
CONECT   81   46                                                      
CONECT   82   47                                                      
CONECT   83   47                                                      
CONECT   84   47                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
