COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -6.261   2.570   2.777  1.00  0.00           O  
HETATM    2  C   UNL     1      -5.118   3.366   2.489  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.904   2.750   3.158  1.00  0.00           C  
HETATM    4  O   UNL     1      -3.728   1.428   2.671  1.00  0.00           O  
HETATM    5  C   UNL     1      -2.599   0.799   3.266  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.477  -0.613   2.726  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.331  -0.558   1.314  1.00  0.00           O  
HETATM    8  C   UNL     1      -2.212  -1.859   0.752  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.084  -1.737  -0.754  1.00  0.00           C  
HETATM   10  O   UNL     1      -3.251  -1.111  -1.270  1.00  0.00           O  
HETATM   11  C   UNL     1      -3.185  -0.970  -2.684  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.464  -0.320  -3.176  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.796  -0.590  -3.280  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.928  -1.531  -2.915  1.00  0.00           C  
HETATM   15  C   UNL     1      -8.999  -2.580  -1.105  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.958  -2.743   0.402  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.615  -3.484   2.183  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.274  -4.109   2.515  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.942  -6.012   2.157  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.914  -7.366   1.474  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.062  -8.423  -0.620  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.267  -8.165  -2.100  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.543  -6.482  -3.617  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.919  -5.241  -3.743  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.230  -4.410  -4.820  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.154  -4.851  -5.731  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.788  -6.063  -5.644  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.477  -6.893  -4.568  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.497  -3.934  -6.922  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.059  -2.615  -6.316  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.618  -4.483  -7.828  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.239  -3.542  -7.779  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.301  -4.611  -8.431  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.134  -3.844  -9.101  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.015  -5.396  -9.548  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.692  -5.600  -7.430  1.00  0.00           C  
HETATM   37  O   UNL     1      -5.566  -1.152  -2.840  1.00  0.00           O  
HETATM   38  O   UNL     1      -7.939  -1.720  -1.507  1.00  0.00           O  
HETATM   39  O   UNL     1      -7.717  -3.327   0.772  1.00  0.00           O  
HETATM   40  O   UNL     1      -6.192  -5.386   1.896  1.00  0.00           O  
HETATM   41  O   UNL     1      -5.101  -7.184   0.077  1.00  0.00           O  
HETATM   42  O   UNL     1      -4.238  -7.294  -2.567  1.00  0.00           O  
HETATM   43  H   UNL     1      -6.023   1.653   2.563  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.993   3.403   1.403  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.297   4.374   2.874  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.036   2.699   4.244  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.004   3.325   2.923  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.712   1.392   3.025  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.748   0.783   4.350  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.371  -1.201   2.954  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.594  -1.107   3.143  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.328  -2.338   1.185  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.107  -2.430   1.015  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.989  -2.721  -1.224  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.220  -1.120  -1.017  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.312  -0.356  -2.925  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.068  -1.966  -3.122  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.450  -0.195  -4.263  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.609   0.651  -2.695  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.919   0.382  -2.793  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.744  -0.456  -4.364  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.797  -2.508  -3.390  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.891  -1.104  -3.211  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.943  -2.131  -1.428  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.862  -3.546  -1.598  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.761  -3.400   0.750  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.039  -1.769   0.895  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.715  -2.496   2.643  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.432  -4.130   2.516  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.159  -4.246   3.595  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.457  -3.490   2.132  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.149  -5.361   1.776  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.836  -6.128   3.240  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.717  -8.011   1.844  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.948  -7.853   1.629  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.090  -8.890  -0.431  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.860  -9.061  -0.229  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.232  -7.684  -2.287  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.205  -9.101  -2.664  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.191  -4.915  -3.006  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.740  -3.445  -4.909  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.517  -6.391  -6.380  1.00  0.00           H  
HETATM   83  H   UNL     1      -5.966  -7.860  -4.475  1.00  0.00           H  
HETATM   84  H   UNL     1      -5.309  -2.082  -5.720  1.00  0.00           H  
HETATM   85  H   UNL     1      -6.918  -2.810  -5.662  1.00  0.00           H  
HETATM   86  H   UNL     1      -6.392  -1.928  -7.103  1.00  0.00           H  
HETATM   87  H   UNL     1      -7.572  -4.552  -7.290  1.00  0.00           H  
HETATM   88  H   UNL     1      -6.788  -3.827  -8.689  1.00  0.00           H  
HETATM   89  H   UNL     1      -6.394  -5.485  -8.205  1.00  0.00           H  
HETATM   90  H   UNL     1      -4.588  -2.892  -8.596  1.00  0.00           H  
HETATM   91  H   UNL     1      -3.609  -2.880  -7.169  1.00  0.00           H  
HETATM   92  H   UNL     1      -1.549  -3.286  -8.361  1.00  0.00           H  
HETATM   93  H   UNL     1      -2.506  -3.128  -9.843  1.00  0.00           H  
HETATM   94  H   UNL     1      -1.447  -4.527  -9.614  1.00  0.00           H  
HETATM   95  H   UNL     1      -4.513  -4.722 -10.253  1.00  0.00           H  
HETATM   96  H   UNL     1      -3.300  -5.998 -10.122  1.00  0.00           H  
HETATM   97  H   UNL     1      -4.761  -6.092  -9.161  1.00  0.00           H  
HETATM   98  H   UNL     1      -1.967  -6.259  -7.922  1.00  0.00           H  
HETATM   99  H   UNL     1      -2.159  -5.079  -6.627  1.00  0.00           H  
HETATM  100  H   UNL     1      -3.451  -6.248  -6.984  1.00  0.00           H  
CONECT    1    2   43                                                 
CONECT    2    1    3   44   45                                       
CONECT    3    2    4   46   47                                       
CONECT    4    3    5                                                 
CONECT    5    4    6   48   49                                       
CONECT    6    5    7   50   51                                       
CONECT    7    6    8                                                 
CONECT    8    7    9   52   53                                       
CONECT    9    8   10   54   55                                       
CONECT   10    9   11                                                 
CONECT   11   10   12   56   57                                       
CONECT   12   11   37   58   59                                       
CONECT   13   14   37   60   61                                       
CONECT   14   13   38   62   63                                       
CONECT   15   16   38   64   65                                       
CONECT   16   15   39   66   67                                       
CONECT   17   18   39   68   69                                       
CONECT   18   17   40   70   71                                       
CONECT   19   20   40   72   73                                       
CONECT   20   19   41   74   75                                       
CONECT   21   22   41   76   77                                       
CONECT   22   21   42   78   79                                       
CONECT   23   24   24   28   42                                       
CONECT   24   23   23   25   80                                       
CONECT   25   24   26   26   81                                       
CONECT   26   25   25   27   29                                       
CONECT   27   26   28   28   82                                       
CONECT   28   23   27   27   83                                       
CONECT   29   26   30   31   32                                       
CONECT   30   29   84   85   86                                       
CONECT   31   29   87   88   89                                       
CONECT   32   29   33   90   91                                       
CONECT   33   32   34   35   36                                       
CONECT   34   33   92   93   94                                       
CONECT   35   33   95   96   97                                       
CONECT   36   33   98   99  100                                       
CONECT   37   12   13                                                 
CONECT   38   14   15                                                 
CONECT   39   16   17                                                 
CONECT   40   18   19                                                 
CONECT   41   20   21                                                 
CONECT   42   22   23                                                 
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    2                                                      
CONECT   46    3                                                      
CONECT   47    3                                                      
CONECT   48    5                                                      
CONECT   49    5                                                      
CONECT   50    6                                                      
CONECT   51    6                                                      
CONECT   52    8                                                      
CONECT   53    8                                                      
CONECT   54    9                                                      
CONECT   55    9                                                      
CONECT   56   11                                                      
CONECT   57   11                                                      
CONECT   58   12                                                      
CONECT   59   12                                                      
CONECT   60   13                                                      
CONECT   61   13                                                      
CONECT   62   14                                                      
CONECT   63   14                                                      
CONECT   64   15                                                      
CONECT   65   15                                                      
CONECT   66   16                                                      
CONECT   67   16                                                      
CONECT   68   17                                                      
CONECT   69   17                                                      
CONECT   70   18                                                      
CONECT   71   18                                                      
CONECT   72   19                                                      
CONECT   73   19                                                      
CONECT   74   20                                                      
CONECT   75   20                                                      
CONECT   76   21                                                      
CONECT   77   21                                                      
CONECT   78   22                                                      
CONECT   79   22                                                      
CONECT   80   24                                                      
CONECT   81   25                                                      
CONECT   82   27                                                      
CONECT   83   28                                                      
CONECT   84   30                                                      
CONECT   85   30                                                      
CONECT   86   30                                                      
CONECT   87   31                                                      
CONECT   88   31                                                      
CONECT   89   31                                                      
CONECT   90   32                                                      
CONECT   91   32                                                      
CONECT   92   34                                                      
CONECT   93   34                                                      
CONECT   94   34                                                      
CONECT   95   35                                                      
CONECT   96   35                                                      
CONECT   97   35                                                      
CONECT   98   36                                                      
CONECT   99   36                                                      
CONECT  100   36                                                      
MASTER        0    0    0    0    0    0    0    0  100    0  100    0
END
