COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.579   0.413   0.097  1.00  0.00           C  
HETATM    2  C   UNL     1      12.031  -1.172  -1.021  1.00  0.00           C  
HETATM    3  C   UNL     1      13.340  -0.590  -1.594  1.00  0.00           C  
HETATM    4  C   UNL     1      13.609   0.665  -0.727  1.00  0.00           C  
HETATM    5  C   UNL     1      13.168   0.206   0.685  1.00  0.00           C  
HETATM    6  C   UNL     1      11.922  -0.666   0.428  1.00  0.00           C  
HETATM    7  C   UNL     1      10.672   0.159   0.594  1.00  0.00           C  
HETATM    8  C   UNL     1       9.424  -0.445   0.507  1.00  0.00           C  
HETATM    9  C   UNL     1       8.271   0.331   0.548  1.00  0.00           C  
HETATM   10  C   UNL     1       7.010  -0.280   0.461  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.113   1.360  -0.098  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.977   0.585   0.006  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.716   1.188  -0.007  1.00  0.00           C  
HETATM   14  C   UNL     1     -12.214  -1.712  -0.019  1.00  0.00           C  
HETATM   15  C   UNL     1     -13.595  -2.214  -0.443  1.00  0.00           C  
HETATM   16  C   UNL     1     -14.660  -1.385   0.285  1.00  0.00           C  
HETATM   17  O   UNL     1     -15.952  -1.950   0.051  1.00  0.00           O  
HETATM   18  C   UNL     1     -14.619   0.045  -0.258  1.00  0.00           C  
HETATM   19  C   UNL     1     -13.209   0.560  -0.251  1.00  0.00           C  
HETATM   20  C   UNL     1     -12.144  -0.218  -0.149  1.00  0.00           C  
HETATM   21  C   UNL     1     -10.852   0.399  -0.163  1.00  0.00           C  
HETATM   22  C   UNL     1      -9.793   0.905  -0.174  1.00  0.00           C  
HETATM   23  C   UNL     1      -8.501   1.523  -0.188  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.376   0.755  -0.084  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.318   1.015   0.083  1.00  0.00           C  
HETATM   26  C   UNL     1     -11.149  -2.349  -0.913  1.00  0.00           C  
HETATM   27  C   UNL     1     -11.956  -2.107   1.437  1.00  0.00           C  
HETATM   28  C   UNL     1     -12.995   2.047  -0.366  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.383   3.020  -0.317  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.597   2.685  -0.136  1.00  0.00           C  
HETATM   31  O   UNL     1      14.998   1.001  -0.739  1.00  0.00           O  
HETATM   32  O   UNL     1      10.755   1.356   0.803  1.00  0.00           O  
HETATM   33  O   UNL     1       8.365   1.676   0.671  1.00  0.00           O  
HETATM   34  C   UNL     1       5.875   0.495   0.356  1.00  0.00           C  
HETATM   35  C   UNL     1       4.614  -0.108   0.370  1.00  0.00           C  
HETATM   36  C   UNL     1       3.477   0.668   0.266  1.00  0.00           C  
HETATM   37  C   UNL     1       2.216   0.066   0.279  1.00  0.00           C  
HETATM   38  C   UNL     1       1.079   0.842   0.175  1.00  0.00           C  
HETATM   39  C   UNL     1      -0.181   0.239   0.188  1.00  0.00           C  
HETATM   40  C   UNL     1      12.085  -2.701  -1.040  1.00  0.00           C  
HETATM   41  C   UNL     1      10.836  -0.680  -1.840  1.00  0.00           C  
HETATM   42  C   UNL     1      11.901  -1.850   1.396  1.00  0.00           C  
HETATM   43  C   UNL     1       6.898  -1.782   0.482  1.00  0.00           C  
HETATM   44  C   UNL     1       2.098  -1.431   0.408  1.00  0.00           C  
HETATM   45  H   UNL     1      -2.664  -0.660   0.194  1.00  0.00           H  
HETATM   46  H   UNL     1      14.154  -1.308  -1.490  1.00  0.00           H  
HETATM   47  H   UNL     1      13.209  -0.313  -2.640  1.00  0.00           H  
HETATM   48  H   UNL     1      13.004   1.506  -1.066  1.00  0.00           H  
HETATM   49  H   UNL     1      13.955  -0.384   1.158  1.00  0.00           H  
HETATM   50  H   UNL     1      12.911   1.066   1.303  1.00  0.00           H  
HETATM   51  H   UNL     1       9.349  -1.518   0.410  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.028   2.432  -0.191  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.062  -0.488   0.098  1.00  0.00           H  
HETATM   54  H   UNL     1     -13.713  -2.095  -1.521  1.00  0.00           H  
HETATM   55  H   UNL     1     -13.702  -3.265  -0.174  1.00  0.00           H  
HETATM   56  H   UNL     1     -14.450  -1.377   1.354  1.00  0.00           H  
HETATM   57  H   UNL     1     -16.674  -1.474   0.484  1.00  0.00           H  
HETATM   58  H   UNL     1     -15.002   0.055  -1.278  1.00  0.00           H  
HETATM   59  H   UNL     1     -15.241   0.686   0.366  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.461  -0.317   0.008  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.234   2.088  -0.009  1.00  0.00           H  
HETATM   62  H   UNL     1     -11.195  -3.434  -0.816  1.00  0.00           H  
HETATM   63  H   UNL     1     -11.331  -2.069  -1.951  1.00  0.00           H  
HETATM   64  H   UNL     1     -10.162  -1.999  -0.610  1.00  0.00           H  
HETATM   65  H   UNL     1     -12.712  -1.650   2.076  1.00  0.00           H  
HETATM   66  H   UNL     1     -12.007  -3.192   1.533  1.00  0.00           H  
HETATM   67  H   UNL     1     -10.968  -1.761   1.738  1.00  0.00           H  
HETATM   68  H   UNL     1     -13.960   2.548  -0.442  1.00  0.00           H  
HETATM   69  H   UNL     1     -12.466   2.407   0.516  1.00  0.00           H  
HETATM   70  H   UNL     1     -12.403   2.261  -1.257  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.387   3.471   0.675  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.452   3.268  -0.826  1.00  0.00           H  
HETATM   73  H   UNL     1      -9.225   3.402  -0.893  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.537   2.955  -1.190  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.472   3.158   0.310  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.698   3.024   0.378  1.00  0.00           H  
HETATM   77  H   UNL     1      15.219   1.780  -0.211  1.00  0.00           H  
HETATM   78  H   UNL     1       7.516   2.136   0.613  1.00  0.00           H  
HETATM   79  H   UNL     1       5.960   1.568   0.264  1.00  0.00           H  
HETATM   80  H   UNL     1       4.529  -1.180   0.462  1.00  0.00           H  
HETATM   81  H   UNL     1       3.562   1.741   0.173  1.00  0.00           H  
HETATM   82  H   UNL     1       1.164   1.914   0.082  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.266  -0.833   0.280  1.00  0.00           H  
HETATM   84  H   UNL     1      11.177  -3.102  -0.588  1.00  0.00           H  
HETATM   85  H   UNL     1      12.162  -3.049  -2.070  1.00  0.00           H  
HETATM   86  H   UNL     1      12.953  -3.041  -0.476  1.00  0.00           H  
HETATM   87  H   UNL     1      10.737   0.400  -1.725  1.00  0.00           H  
HETATM   88  H   UNL     1      10.991  -0.921  -2.891  1.00  0.00           H  
HETATM   89  H   UNL     1       9.927  -1.167  -1.486  1.00  0.00           H  
HETATM   90  H   UNL     1      12.820  -2.426   1.286  1.00  0.00           H  
HETATM   91  H   UNL     1      11.823  -1.482   2.419  1.00  0.00           H  
HETATM   92  H   UNL     1      11.045  -2.487   1.173  1.00  0.00           H  
HETATM   93  H   UNL     1       6.951  -2.165  -0.538  1.00  0.00           H  
HETATM   94  H   UNL     1       7.715  -2.200   1.070  1.00  0.00           H  
HETATM   95  H   UNL     1       5.946  -2.069   0.928  1.00  0.00           H  
HETATM   96  H   UNL     1       2.037  -1.701   1.462  1.00  0.00           H  
HETATM   97  H   UNL     1       1.199  -1.770  -0.107  1.00  0.00           H  
HETATM   98  H   UNL     1       2.973  -1.904  -0.039  1.00  0.00           H  
CONECT    1   13   13   25   45                                       
CONECT    2   41    3    6   40                                       
CONECT    3    4    2   46   47                                       
CONECT    4    3    5   31   48                                       
CONECT    5    4    6   49   50                                       
CONECT    6    5    2    7   42                                       
CONECT    7    8    6   32   32                                       
CONECT    8    9    9    7   51                                       
CONECT    9   10    8    8   33                                       
CONECT   10   43   34   34    9                                       
CONECT   11   24   12   12   52                                       
CONECT   12   11   11   13   53                                       
CONECT   13   12    1    1   30                                       
CONECT   14   26   15   27   20                                       
CONECT   15   14   16   54   55                                       
CONECT   16   15   17   18   56                                       
CONECT   17   16   57                                                 
CONECT   18   16   19   58   59                                       
CONECT   19   20   20   18   28                                       
CONECT   20   14   21   19   19                                       
CONECT   21   20   22   22   22                                       
CONECT   22   21   21   21   23                                       
CONECT   23   22   29   24   24                                       
CONECT   24   23   23   11   60                                       
CONECT   25   39   39    1   61                                       
CONECT   26   14   62   63   64                                       
CONECT   27   14   65   66   67                                       
CONECT   28   19   68   69   70                                       
CONECT   29   23   71   72   73                                       
CONECT   30   13   74   75   76                                       
CONECT   31    4   77                                                 
CONECT   32    7    7                                                 
CONECT   33    9   78                                                 
CONECT   34   10   10   35   79                                       
CONECT   35   34   36   36   80                                       
CONECT   36   35   35   37   81                                       
CONECT   37   44   36   38   38                                       
CONECT   38   37   37   39   82                                       
CONECT   39   38   25   25   83                                       
CONECT   40    2   84   85   86                                       
CONECT   41    2   87   88   89                                       
CONECT   42    6   90   91   92                                       
CONECT   43   10   93   94   95                                       
CONECT   44   37   96   97   98                                       
CONECT   45    1                                                      
CONECT   46    3                                                      
CONECT   47    3                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    5                                                      
CONECT   51    8                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   18                                                      
CONECT   60   24                                                      
CONECT   61   25                                                      
CONECT   62   26                                                      
CONECT   63   26                                                      
CONECT   64   26                                                      
CONECT   65   27                                                      
CONECT   66   27                                                      
CONECT   67   27                                                      
CONECT   68   28                                                      
CONECT   69   28                                                      
CONECT   70   28                                                      
CONECT   71   29                                                      
CONECT   72   29                                                      
CONECT   73   29                                                      
CONECT   74   30                                                      
CONECT   75   30                                                      
CONECT   76   30                                                      
CONECT   77   31                                                      
CONECT   78   33                                                      
CONECT   79   34                                                      
CONECT   80   35                                                      
CONECT   81   36                                                      
CONECT   82   38                                                      
CONECT   83   39                                                      
CONECT   84   40                                                      
CONECT   85   40                                                      
CONECT   86   40                                                      
CONECT   87   41                                                      
CONECT   88   41                                                      
CONECT   89   41                                                      
CONECT   90   42                                                      
CONECT   91   42                                                      
CONECT   92   42                                                      
CONECT   93   43                                                      
CONECT   94   43                                                      
CONECT   95   43                                                      
CONECT   96   44                                                      
CONECT   97   44                                                      
CONECT   98   44                                                      
MASTER        0    0    0    0    0    0    0    0   98    0   98    0
END
