COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       5.966  -0.486  -0.221  1.00  0.00           O  
HETATM    2  C   UNL     1       5.902  -1.579   0.308  1.00  0.00           C  
HETATM    3  O   UNL     1       6.848  -2.504   0.058  1.00  0.00           O  
HETATM    4  C   UNL     1       7.914  -2.127  -0.852  1.00  0.00           C  
HETATM    5  C   UNL     1       7.319  -1.770  -2.215  1.00  0.00           C  
HETATM    6  C   UNL     1       8.662  -0.917  -0.289  1.00  0.00           C  
HETATM    7  C   UNL     1       8.886  -3.298  -1.011  1.00  0.00           C  
HETATM    8  N   UNL     1       4.887  -1.862   1.148  1.00  0.00           N  
HETATM    9  C   UNL     1       3.961  -0.866   1.491  1.00  0.00           C  
HETATM   10  C   UNL     1       3.204  -0.219   0.490  1.00  0.00           C  
HETATM   11  O   UNL     1       3.352  -0.526  -0.682  1.00  0.00           O  
HETATM   12  C   UNL     1       3.778  -0.513   2.799  1.00  0.00           C  
HETATM   13  C   UNL     1       2.846   0.486   3.115  1.00  0.00           C  
HETATM   14  C   UNL     1       2.140   1.089   2.131  1.00  0.00           C  
HETATM   15  N   UNL     1       2.318   0.736   0.830  1.00  0.00           N  
HETATM   16  C   UNL     1       1.539   1.406  -0.215  1.00  0.00           C  
HETATM   17  C   UNL     1       1.718   2.921  -0.091  1.00  0.00           C  
HETATM   18  C   UNL     1       3.176   3.287  -0.375  1.00  0.00           C  
HETATM   19  C   UNL     1       3.586   4.749  -0.188  1.00  0.00           C  
HETATM   20  C   UNL     1       3.460   4.163  -1.597  1.00  0.00           C  
HETATM   21  C   UNL     1       0.082   1.058  -0.057  1.00  0.00           C  
HETATM   22  O   UNL     1      -0.315   0.562   0.976  1.00  0.00           O  
HETATM   23  N   UNL     1      -0.781   1.297  -1.064  1.00  0.00           N  
HETATM   24  C   UNL     1      -2.214   1.061  -0.873  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.851   2.292  -0.224  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.229   1.922   0.329  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.097   0.919   1.453  1.00  0.00           C  
HETATM   28  O   UNL     1      -3.884  -0.266   1.305  1.00  0.00           O  
HETATM   29  N   UNL     1      -4.247   1.531   2.640  1.00  0.00           N  
HETATM   30  C   UNL     1      -4.482   2.970   2.471  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.894   3.150   0.993  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.874   0.800  -2.228  1.00  0.00           C  
HETATM   33  O   UNL     1      -2.827   1.990  -3.018  1.00  0.00           O  
HETATM   34  C   UNL     1      -4.310   0.393  -2.018  1.00  0.00           C  
HETATM   35  O   UNL     1      -5.207   1.111  -2.406  1.00  0.00           O  
HETATM   36  N   UNL     1      -4.597  -0.769  -1.398  1.00  0.00           N  
HETATM   37  C   UNL     1      -5.992  -1.165  -1.194  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.039  -2.494  -0.484  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.066  -2.539   0.897  1.00  0.00           C  
HETATM   40  C   UNL     1      -6.108  -3.757   1.548  1.00  0.00           C  
HETATM   41  C   UNL     1      -6.123  -4.931   0.818  1.00  0.00           C  
HETATM   42  C   UNL     1      -6.097  -4.886  -0.563  1.00  0.00           C  
HETATM   43  C   UNL     1      -6.060  -3.667  -1.214  1.00  0.00           C  
HETATM   44  H   UNL     1       6.627  -0.936  -2.102  1.00  0.00           H  
HETATM   45  H   UNL     1       8.120  -1.487  -2.899  1.00  0.00           H  
HETATM   46  H   UNL     1       6.787  -2.632  -2.617  1.00  0.00           H  
HETATM   47  H   UNL     1       9.086  -1.171   0.683  1.00  0.00           H  
HETATM   48  H   UNL     1       9.463  -0.634  -0.972  1.00  0.00           H  
HETATM   49  H   UNL     1       7.969  -0.083  -0.176  1.00  0.00           H  
HETATM   50  H   UNL     1       8.354  -4.161  -1.412  1.00  0.00           H  
HETATM   51  H   UNL     1       9.687  -3.016  -1.694  1.00  0.00           H  
HETATM   52  H   UNL     1       9.311  -3.553  -0.039  1.00  0.00           H  
HETATM   53  H   UNL     1       4.344  -0.998   3.581  1.00  0.00           H  
HETATM   54  H   UNL     1       2.691   0.774   4.144  1.00  0.00           H  
HETATM   55  H   UNL     1       1.424   1.857   2.382  1.00  0.00           H  
HETATM   56  H   UNL     1       1.887   1.078  -1.194  1.00  0.00           H  
HETATM   57  H   UNL     1       1.071   3.423  -0.810  1.00  0.00           H  
HETATM   58  H   UNL     1       1.454   3.237   0.918  1.00  0.00           H  
HETATM   59  H   UNL     1       3.911   2.522  -0.122  1.00  0.00           H  
HETATM   60  H   UNL     1       2.817   5.450   0.136  1.00  0.00           H  
HETATM   61  H   UNL     1       4.591   4.946   0.186  1.00  0.00           H  
HETATM   62  H   UNL     1       4.381   3.975  -2.148  1.00  0.00           H  
HETATM   63  H   UNL     1       2.608   4.478  -2.199  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.453   1.625  -1.916  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.357   0.195  -0.226  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.216   2.644   0.589  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.958   3.081  -0.969  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.863   1.525  -0.464  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.207   1.081   3.498  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.285   3.302   3.129  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.569   3.528   2.680  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.492   4.078   0.586  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.978   3.114   0.883  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.341   0.001  -2.743  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.283   2.745  -2.620  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.879  -1.343  -1.088  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.499  -0.412  -0.590  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.491  -1.251  -2.159  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.053  -1.622   1.468  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.128  -3.792   2.628  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.155  -5.883   1.327  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.108  -5.803  -1.133  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.040  -3.632  -2.294  1.00  0.00           H  
HETATM   84  H   UNL     1       4.796  -2.755   1.515  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    8                                       
CONECT    3    2    4                                                 
CONECT    4    7    3    6    5                                       
CONECT    5    4   44   45   46                                       
CONECT    6    4   47   48   49                                       
CONECT    7    4   50   51   52                                       
CONECT    8    2    9   84                                            
CONECT    9   12   12    8   10                                       
CONECT   10    9   15   11   11                                       
CONECT   11   10   10                                                 
CONECT   12   13    9    9   53                                       
CONECT   13   12   14   14   54                                       
CONECT   14   13   13   15   55                                       
CONECT   15   14   10   16                                            
CONECT   16   17   15   21   56                                       
CONECT   17   18   16   57   58                                       
CONECT   18   19   20   17   59                                       
CONECT   19   20   18   60   61                                       
CONECT   20   19   18   62   63                                       
CONECT   21   16   22   22   23                                       
CONECT   22   21   21                                                 
CONECT   23   21   24   64                                            
CONECT   24   23   32   25   65                                       
CONECT   25   24   26   66   67                                       
CONECT   26   31   25   27   68                                       
CONECT   27   26   29   28   28                                       
CONECT   28   27   27                                                 
CONECT   29   30   27   69                                            
CONECT   30   31   29   70   71                                       
CONECT   31   30   26   72   73                                       
CONECT   32   34   24   33   74                                       
CONECT   33   32   75                                                 
CONECT   34   36   35   35   32                                       
CONECT   35   34   34                                                 
CONECT   36   37   34   76                                            
CONECT   37   38   36   77   78                                       
CONECT   38   39   39   43   37                                       
CONECT   39   40   38   38   79                                       
CONECT   40   41   41   39   80                                       
CONECT   41   40   40   42   81                                       
CONECT   42   41   43   43   82                                       
CONECT   43   42   42   38   83                                       
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   12                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   20                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   25                                                      
CONECT   67   25                                                      
CONECT   68   26                                                      
CONECT   69   29                                                      
CONECT   70   30                                                      
CONECT   71   30                                                      
CONECT   72   31                                                      
CONECT   73   31                                                      
CONECT   74   32                                                      
CONECT   75   33                                                      
CONECT   76   36                                                      
CONECT   77   37                                                      
CONECT   78   37                                                      
CONECT   79   39                                                      
CONECT   80   40                                                      
CONECT   81   41                                                      
CONECT   82   42                                                      
CONECT   83   43                                                      
CONECT   84    8                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
