COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       3.057  -7.666   2.512  1.00  0.00           O  
HETATM    2  C   UNL     1       3.119  -6.910   1.405  1.00  0.00           C  
HETATM    3  O   UNL     1       3.381  -7.418   0.340  1.00  0.00           O  
HETATM    4  C   UNL     1       2.862  -5.428   1.490  1.00  0.00           C  
HETATM    5  C   UNL     1       2.993  -4.807   0.097  1.00  0.00           C  
HETATM    6  C   UNL     1       2.735  -3.324   0.182  1.00  0.00           C  
HETATM    7  C   UNL     1       1.426  -2.656   0.148  1.00  0.00           C  
HETATM    8  N   UNL     1       1.624  -1.341   0.250  1.00  0.00           N  
HETATM    9  C   UNL     1       0.209  -3.335   0.028  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.018  -2.689  -0.030  1.00  0.00           C  
HETATM   11  C   UNL     1       3.661  -2.350   0.311  1.00  0.00           C  
HETATM   12  C   UNL     1       5.155  -2.531   0.393  1.00  0.00           C  
HETATM   13  C   UNL     1       5.757  -2.369  -0.979  1.00  0.00           C  
HETATM   14  O   UNL     1       7.083  -2.490  -1.148  1.00  0.00           O  
HETATM   15  O   UNL     1       5.047  -2.131  -1.926  1.00  0.00           O  
HETATM   16  C   UNL     1       2.927  -1.077   0.350  1.00  0.00           C  
HETATM   17  C   UNL     1       3.541   0.173   0.481  1.00  0.00           C  
HETATM   18  C   UNL     1       2.834   1.368   0.504  1.00  0.00           C  
HETATM   19  N   UNL     1       1.473   1.555   0.410  1.00  0.00           N  
HETATM   20  C   UNL     1       3.435   2.635   0.636  1.00  0.00           C  
HETATM   21  C   UNL     1       4.912   2.904   0.770  1.00  0.00           C  
HETATM   22  C   UNL     1       5.525   3.089  -0.619  1.00  0.00           C  
HETATM   23  C   UNL     1       7.002   3.358  -0.485  1.00  0.00           C  
HETATM   24  O   UNL     1       7.512   3.398   0.610  1.00  0.00           O  
HETATM   25  O   UNL     1       7.751   3.554  -1.581  1.00  0.00           O  
HETATM   26  C   UNL     1       2.451   3.572   0.619  1.00  0.00           C  
HETATM   27  C   UNL     1       2.645   5.062   0.733  1.00  0.00           C  
HETATM   28  C   UNL     1       2.821   5.651  -0.643  1.00  0.00           C  
HETATM   29  O   UNL     1       2.792   4.935  -1.616  1.00  0.00           O  
HETATM   30  O   UNL     1       3.010   6.972  -0.788  1.00  0.00           O  
HETATM   31  C   UNL     1       1.218   2.906   0.478  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.010   3.551   0.424  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.225   2.872   0.282  1.00  0.00           C  
HETATM   34  N   UNL     1      -1.422   1.558   0.174  1.00  0.00           N  
HETATM   35  C   UNL     1      -2.533   3.541   0.229  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.792   5.024   0.311  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.863   5.442   1.757  1.00  0.00           C  
HETATM   38  O   UNL     1      -2.719   4.621   2.631  1.00  0.00           O  
HETATM   39  O   UNL     1      -3.087   6.727   2.073  1.00  0.00           O  
HETATM   40  C   UNL     1      -3.458   2.567   0.092  1.00  0.00           C  
HETATM   41  C   UNL     1      -4.951   2.749  -0.007  1.00  0.00           C  
HETATM   42  C   UNL     1      -5.364   2.786  -1.480  1.00  0.00           C  
HETATM   43  C   UNL     1      -6.857   2.967  -1.579  1.00  0.00           C  
HETATM   44  O   UNL     1      -7.447   3.028  -2.783  1.00  0.00           O  
HETATM   45  O   UNL     1      -7.522   3.058  -0.574  1.00  0.00           O  
HETATM   46  C   UNL     1      -2.724   1.294   0.058  1.00  0.00           C  
HETATM   47  C   UNL     1      -3.339   0.045  -0.075  1.00  0.00           C  
HETATM   48  C   UNL     1      -2.634  -1.151  -0.079  1.00  0.00           C  
HETATM   49  N   UNL     1      -1.274  -1.338   0.024  1.00  0.00           N  
HETATM   50  C   UNL     1      -3.236  -2.420  -0.191  1.00  0.00           C  
HETATM   51  C   UNL     1      -2.253  -3.357  -0.160  1.00  0.00           C  
HETATM   52  C   UNL     1      -2.447  -4.849  -0.249  1.00  0.00           C  
HETATM   53  C   UNL     1      -2.277  -5.293  -1.679  1.00  0.00           C  
HETATM   54  O   UNL     1      -2.024  -4.482  -2.538  1.00  0.00           O  
HETATM   55  O   UNL     1      -2.407  -6.590  -1.998  1.00  0.00           O  
HETATM   56  C   UNL     1      -4.713  -2.691  -0.324  1.00  0.00           C  
HETATM   57  C   UNL     1      -5.351  -2.730   1.066  1.00  0.00           C  
HETATM   58  C   UNL     1      -6.827  -3.001   0.933  1.00  0.00           C  
HETATM   59  O   UNL     1      -7.319  -3.148  -0.161  1.00  0.00           O  
HETATM   60  O   UNL     1      -7.597  -3.080   2.031  1.00  0.00           O  
HETATM   61  H   UNL     1       3.230  -8.612   2.408  1.00  0.00           H  
HETATM   62  H   UNL     1       1.855  -5.255   1.871  1.00  0.00           H  
HETATM   63  H   UNL     1       3.588  -4.971   2.161  1.00  0.00           H  
HETATM   64  H   UNL     1       3.999  -4.979  -0.284  1.00  0.00           H  
HETATM   65  H   UNL     1       2.266  -5.264  -0.574  1.00  0.00           H  
HETATM   66  H   UNL     1       0.225  -4.423  -0.021  1.00  0.00           H  
HETATM   67  H   UNL     1       5.576  -1.783   1.065  1.00  0.00           H  
HETATM   68  H   UNL     1       5.380  -3.528   0.773  1.00  0.00           H  
HETATM   69  H   UNL     1       7.423  -2.377  -2.047  1.00  0.00           H  
HETATM   70  H   UNL     1       4.627   0.212   0.567  1.00  0.00           H  
HETATM   71  H   UNL     1       0.809   0.855   0.311  1.00  0.00           H  
HETATM   72  H   UNL     1       5.064   3.809   1.358  1.00  0.00           H  
HETATM   73  H   UNL     1       5.391   2.062   1.269  1.00  0.00           H  
HETATM   74  H   UNL     1       5.373   2.184  -1.207  1.00  0.00           H  
HETATM   75  H   UNL     1       5.047   3.931  -1.119  1.00  0.00           H  
HETATM   76  H   UNL     1       8.694   3.723  -1.445  1.00  0.00           H  
HETATM   77  H   UNL     1       1.771   5.506   1.209  1.00  0.00           H  
HETATM   78  H   UNL     1       3.531   5.268   1.333  1.00  0.00           H  
HETATM   79  H   UNL     1       3.118   7.304  -1.690  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.029   4.638   0.498  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.982   5.561  -0.183  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.736   5.256  -0.182  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.124   6.947   3.014  1.00  0.00           H  
HETATM   84  H   UNL     1      -5.452   1.918   0.490  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.236   3.685   0.474  1.00  0.00           H  
HETATM   86  H   UNL     1      -4.863   3.616  -1.977  1.00  0.00           H  
HETATM   87  H   UNL     1      -5.079   1.849  -1.960  1.00  0.00           H  
HETATM   88  H   UNL     1      -8.407   3.146  -2.796  1.00  0.00           H  
HETATM   89  H   UNL     1      -4.422   0.010  -0.182  1.00  0.00           H  
HETATM   90  H   UNL     1      -0.609  -0.637   0.117  1.00  0.00           H  
HETATM   91  H   UNL     1      -1.709  -5.349   0.377  1.00  0.00           H  
HETATM   92  H   UNL     1      -3.449  -5.106   0.095  1.00  0.00           H  
HETATM   93  H   UNL     1      -2.289  -6.827  -2.929  1.00  0.00           H  
HETATM   94  H   UNL     1      -5.176  -1.900  -0.914  1.00  0.00           H  
HETATM   95  H   UNL     1      -4.863  -3.650  -0.820  1.00  0.00           H  
HETATM   96  H   UNL     1      -4.888  -3.521   1.656  1.00  0.00           H  
HETATM   97  H   UNL     1      -5.201  -1.772   1.562  1.00  0.00           H  
HETATM   98  H   UNL     1      -8.538  -3.255   1.895  1.00  0.00           H  
CONECT    1    2   61                                                 
CONECT    2    1    4    3    3                                       
CONECT    3    2    2                                                 
CONECT    4    2    5   62   63                                       
CONECT    5    4    6   64   65                                       
CONECT    6    5    7   11   11                                       
CONECT    7    6    9    8    8                                       
CONECT    8    7    7   16                                            
CONECT    9    7   10   10   66                                       
CONECT   10    9    9   51   49                                       
CONECT   11    6    6   16   12                                       
CONECT   12   11   13   67   68                                       
CONECT   13   12   15   15   14                                       
CONECT   14   13   69                                                 
CONECT   15   13   13                                                 
CONECT   16    8   11   17   17                                       
CONECT   17   16   16   18   70                                       
CONECT   18   17   20   20   19                                       
CONECT   19   18   31   71                                            
CONECT   20   18   18   21   26                                       
CONECT   21   20   22   72   73                                       
CONECT   22   21   23   74   75                                       
CONECT   23   22   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   76                                                 
CONECT   26   20   27   31   31                                       
CONECT   27   26   28   77   78                                       
CONECT   28   27   29   29   30                                       
CONECT   29   28   28                                                 
CONECT   30   28   79                                                 
CONECT   31   19   26   26   32                                       
CONECT   32   31   33   33   80                                       
CONECT   33   32   32   34   35                                       
CONECT   34   33   46   46                                            
CONECT   35   33   40   40   36                                       
CONECT   36   35   37   81   82                                       
CONECT   37   36   38   38   39                                       
CONECT   38   37   37                                                 
CONECT   39   37   83                                                 
CONECT   40   35   35   46   41                                       
CONECT   41   40   42   84   85                                       
CONECT   42   41   43   86   87                                       
CONECT   43   42   45   45   44                                       
CONECT   44   43   88                                                 
CONECT   45   43   43                                                 
CONECT   46   34   34   40   47                                       
CONECT   47   46   48   48   89                                       
CONECT   48   47   47   50   49                                       
CONECT   49   10   48   90                                            
CONECT   50   48   56   51   51                                       
CONECT   51   10   50   50   52                                       
CONECT   52   51   53   91   92                                       
CONECT   53   52   54   54   55                                       
CONECT   54   53   53                                                 
CONECT   55   53   93                                                 
CONECT   56   50   57   94   95                                       
CONECT   57   56   58   96   97                                       
CONECT   58   57   59   59   60                                       
CONECT   59   58   58                                                 
CONECT   60   58   98                                                 
CONECT   61    1                                                      
CONECT   62    4                                                      
CONECT   63    4                                                      
CONECT   64    5                                                      
CONECT   65    5                                                      
CONECT   66    9                                                      
CONECT   67   12                                                      
CONECT   68   12                                                      
CONECT   69   14                                                      
CONECT   70   17                                                      
CONECT   71   19                                                      
CONECT   72   21                                                      
CONECT   73   21                                                      
CONECT   74   22                                                      
CONECT   75   22                                                      
CONECT   76   25                                                      
CONECT   77   27                                                      
CONECT   78   27                                                      
CONECT   79   30                                                      
CONECT   80   32                                                      
CONECT   81   36                                                      
CONECT   82   36                                                      
CONECT   83   39                                                      
CONECT   84   41                                                      
CONECT   85   41                                                      
CONECT   86   42                                                      
CONECT   87   42                                                      
CONECT   88   44                                                      
CONECT   89   47                                                      
CONECT   90   49                                                      
CONECT   91   52                                                      
CONECT   92   52                                                      
CONECT   93   55                                                      
CONECT   94   56                                                      
CONECT   95   56                                                      
CONECT   96   57                                                      
CONECT   97   57                                                      
CONECT   98   60                                                      
MASTER        0    0    0    0    0    0    0    0   98    0   98    0
END
