COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -15.012  -1.176   0.107  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.065   0.104   0.054  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.986   0.987   0.049  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.692   0.499   0.043  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.613   1.382   0.038  1.00  0.00           C  
HETATM    6  C   UNL     1       0.680   0.894   0.031  1.00  0.00           C  
HETATM    7  C   UNL     1       1.760   1.778   0.027  1.00  0.00           C  
HETATM    8  C   UNL     1       3.053   1.290   0.020  1.00  0.00           C  
HETATM    9  C   UNL     1       4.133   2.175   0.015  1.00  0.00           C  
HETATM   10  C   UNL     1       5.424   1.688   0.008  1.00  0.00           C  
HETATM   11  C   UNL     1       6.506   2.574   0.004  1.00  0.00           C  
HETATM   12  C   UNL     1     -13.581  -1.717   0.100  1.00  0.00           C  
HETATM   13  C   UNL     1       7.796   2.087  -0.003  1.00  0.00           C  
HETATM   14  C   UNL     1       8.880   2.975  -0.008  1.00  0.00           C  
HETATM   15  C   UNL     1      10.157   2.493  -0.014  1.00  0.00           C  
HETATM   16  C   UNL     1     -15.996  -2.341   0.237  1.00  0.00           C  
HETATM   17  C   UNL     1     -15.191  -0.223   1.290  1.00  0.00           C  
HETATM   18  C   UNL     1     -10.350   1.290   0.086  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.603   2.079   0.063  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.857   2.870   0.040  1.00  0.00           C  
HETATM   21  C   UNL     1       5.668   0.201   0.006  1.00  0.00           C  
HETATM   22  C   UNL     1     -12.594  -0.548   0.096  1.00  0.00           C  
HETATM   23  C   UNL     1      10.384   1.104  -0.016  1.00  0.00           C  
HETATM   24  C   UNL     1     -16.579   0.073  -1.208  1.00  0.00           C  
HETATM   25  C   UNL     1      11.653   0.625  -0.023  1.00  0.00           C  
HETATM   26  C   UNL     1      11.323   3.447  -0.019  1.00  0.00           C  
HETATM   27  C   UNL     1      11.891  -0.825  -0.025  1.00  0.00           C  
HETATM   28  C   UNL     1      10.811  -1.715  -0.026  1.00  0.00           C  
HETATM   29  C   UNL     1      11.043  -3.074  -0.034  1.00  0.00           C  
HETATM   30  C   UNL     1      12.339  -3.559  -0.041  1.00  0.00           C  
HETATM   31  C   UNL     1      13.413  -2.685  -0.039  1.00  0.00           C  
HETATM   32  C   UNL     1     -11.184  -1.080   0.088  1.00  0.00           C  
HETATM   33  C   UNL     1      13.199  -1.324  -0.032  1.00  0.00           C  
HETATM   34  C   UNL     1      12.583  -5.046  -0.049  1.00  0.00           C  
HETATM   35  C   UNL     1      14.821  -3.224  -0.046  1.00  0.00           C  
HETATM   36  C   UNL     1      14.370  -0.375  -0.037  1.00  0.00           C  
HETATM   37  C   UNL     1     -10.106  -0.197   0.084  1.00  0.00           C  
HETATM   38  C   UNL     1      -8.811  -0.686   0.077  1.00  0.00           C  
HETATM   39  C   UNL     1      -7.733   0.198   0.072  1.00  0.00           C  
HETATM   40  C   UNL     1      -6.438  -0.291   0.066  1.00  0.00           C  
HETATM   41  C   UNL     1      -5.359   0.592   0.061  1.00  0.00           C  
HETATM   42  O   UNL     1     -15.262  -0.475  -1.112  1.00  0.00           O  
HETATM   43  O   UNL     1     -10.987  -2.281   0.087  1.00  0.00           O  
HETATM   44  H   UNL     1      -3.891  -0.962   0.052  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.161   2.053   0.051  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.518  -0.567   0.041  1.00  0.00           H  
HETATM   47  H   UNL     1       0.855  -0.172   0.030  1.00  0.00           H  
HETATM   48  H   UNL     1       1.585   2.844   0.028  1.00  0.00           H  
HETATM   49  H   UNL     1       3.227   0.225   0.018  1.00  0.00           H  
HETATM   50  H   UNL     1       3.958   3.241   0.017  1.00  0.00           H  
HETATM   51  H   UNL     1       6.332   3.639   0.005  1.00  0.00           H  
HETATM   52  H   UNL     1     -13.418  -2.327   0.988  1.00  0.00           H  
HETATM   53  H   UNL     1     -13.427  -2.325  -0.791  1.00  0.00           H  
HETATM   54  H   UNL     1       7.970   1.021  -0.005  1.00  0.00           H  
HETATM   55  H   UNL     1       8.705   4.041  -0.006  1.00  0.00           H  
HETATM   56  H   UNL     1     -15.805  -2.876   1.167  1.00  0.00           H  
HETATM   57  H   UNL     1     -17.016  -1.956   0.242  1.00  0.00           H  
HETATM   58  H   UNL     1     -15.869  -3.020  -0.606  1.00  0.00           H  
HETATM   59  H   UNL     1     -15.000  -0.758   2.220  1.00  0.00           H  
HETATM   60  H   UNL     1     -14.490   0.606   1.198  1.00  0.00           H  
HETATM   61  H   UNL     1     -16.211   0.162   1.296  1.00  0.00           H  
HETATM   62  H   UNL     1     -10.403   1.648   1.114  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.533   1.793  -0.432  1.00  0.00           H  
HETATM   64  H   UNL     1     -11.289   1.505  -0.423  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.667   2.439  -0.964  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.538   2.293   0.582  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.781   2.582   0.573  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.911   3.227   1.068  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.040   3.372  -0.477  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.797   3.084  -0.469  1.00  0.00           H  
HETATM   71  H   UNL     1       5.722  -0.157  -1.022  1.00  0.00           H  
HETATM   72  H   UNL     1       6.608  -0.014   0.515  1.00  0.00           H  
HETATM   73  H   UNL     1       4.851  -0.302   0.524  1.00  0.00           H  
HETATM   74  H   UNL     1     -12.757   0.062  -0.793  1.00  0.00           H  
HETATM   75  H   UNL     1     -12.748   0.061   0.987  1.00  0.00           H  
HETATM   76  H   UNL     1       9.549   0.420  -0.013  1.00  0.00           H  
HETATM   77  H   UNL     1     -16.689   0.590  -2.161  1.00  0.00           H  
HETATM   78  H   UNL     1     -17.312  -0.730  -1.142  1.00  0.00           H  
HETATM   79  H   UNL     1     -16.739   0.778  -0.392  1.00  0.00           H  
HETATM   80  H   UNL     1      12.489   1.309  -0.027  1.00  0.00           H  
HETATM   81  H   UNL     1      11.609   3.677   1.007  1.00  0.00           H  
HETATM   82  H   UNL     1      12.165   2.989  -0.538  1.00  0.00           H  
HETATM   83  H   UNL     1      11.037   4.366  -0.531  1.00  0.00           H  
HETATM   84  H   UNL     1       9.799  -1.339  -0.021  1.00  0.00           H  
HETATM   85  H   UNL     1      10.210  -3.763  -0.035  1.00  0.00           H  
HETATM   86  H   UNL     1      12.639  -5.399  -1.079  1.00  0.00           H  
HETATM   87  H   UNL     1      13.522  -5.263   0.461  1.00  0.00           H  
HETATM   88  H   UNL     1      11.765  -5.551   0.465  1.00  0.00           H  
HETATM   89  H   UNL     1      15.157  -3.349  -1.075  1.00  0.00           H  
HETATM   90  H   UNL     1      15.480  -2.526   0.470  1.00  0.00           H  
HETATM   91  H   UNL     1      14.843  -4.188   0.463  1.00  0.00           H  
HETATM   92  H   UNL     1      14.657  -0.147   0.989  1.00  0.00           H  
HETATM   93  H   UNL     1      15.210  -0.837  -0.555  1.00  0.00           H  
HETATM   94  H   UNL     1      14.089   0.546  -0.549  1.00  0.00           H  
HETATM   95  H   UNL     1      -8.636  -1.751   0.075  1.00  0.00           H  
HETATM   96  H   UNL     1      -7.907   1.263   0.074  1.00  0.00           H  
HETATM   97  H   UNL     1      -6.263  -1.357   0.064  1.00  0.00           H  
CONECT    1   42   17   16   12                                       
CONECT    2   41   41    3   44                                       
CONECT    3    2    4    4   45                                       
CONECT    4    3    3    5   46                                       
CONECT    5    4    6    6   20                                       
CONECT    6    5    5    7   47                                       
CONECT    7    6    8    8   48                                       
CONECT    8    7    7    9   49                                       
CONECT    9    8   10   10   50                                       
CONECT   10   21    9    9   11                                       
CONECT   11   10   13   13   51                                       
CONECT   12    1   22   52   53                                       
CONECT   13   11   11   14   54                                       
CONECT   14   13   15   15   55                                       
CONECT   15   23   14   14   26                                       
CONECT   16    1   56   57   58                                       
CONECT   17    1   59   60   61                                       
CONECT   18   37   62   63   64                                       
CONECT   19   41   65   66   67                                       
CONECT   20    5   68   69   70                                       
CONECT   21   10   71   72   73                                       
CONECT   22   12   32   74   75                                       
CONECT   23   25   25   15   76                                       
CONECT   24   42   77   78   79                                       
CONECT   25   27   23   23   80                                       
CONECT   26   15   81   82   83                                       
CONECT   27   28   28   33   25                                       
CONECT   28   29   27   27   84                                       
CONECT   29   30   30   28   85                                       
CONECT   30   34   29   29   31                                       
CONECT   31   30   35   33   33                                       
CONECT   32   43   43   22   37                                       
CONECT   33   31   31   27   36                                       
CONECT   34   30   86   87   88                                       
CONECT   35   31   89   90   91                                       
CONECT   36   33   92   93   94                                       
CONECT   37   32   38   38   18                                       
CONECT   38   37   37   39   95                                       
CONECT   39   38   40   40   96                                       
CONECT   40   39   39   41   97                                       
CONECT   41   40    2    2   19                                       
CONECT   42   24    1                                                 
CONECT   43   32   32                                                 
CONECT   44    2                                                      
CONECT   45    3                                                      
CONECT   46    4                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   16                                                      
CONECT   57   16                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   17                                                      
CONECT   61   17                                                      
CONECT   62   18                                                      
CONECT   63   18                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   19                                                      
CONECT   67   19                                                      
CONECT   68   20                                                      
CONECT   69   20                                                      
CONECT   70   20                                                      
CONECT   71   21                                                      
CONECT   72   21                                                      
CONECT   73   21                                                      
CONECT   74   22                                                      
CONECT   75   22                                                      
CONECT   76   23                                                      
CONECT   77   24                                                      
CONECT   78   24                                                      
CONECT   79   24                                                      
CONECT   80   25                                                      
CONECT   81   26                                                      
CONECT   82   26                                                      
CONECT   83   26                                                      
CONECT   84   28                                                      
CONECT   85   29                                                      
CONECT   86   34                                                      
CONECT   87   34                                                      
CONECT   88   34                                                      
CONECT   89   35                                                      
CONECT   90   35                                                      
CONECT   91   35                                                      
CONECT   92   36                                                      
CONECT   93   36                                                      
CONECT   94   36                                                      
CONECT   95   38                                                      
CONECT   96   39                                                      
CONECT   97   40                                                      
MASTER        0    0    0    0    0    0    0    0   97    0   97    0
END
