COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -12.139   0.143  -1.190  1.00  0.00           C  
HETATM    2  C   UNL     1     -11.370  -0.238   0.077  1.00  0.00           C  
HETATM    3  C   UNL     1     -13.598  -0.302  -1.029  1.00  0.00           C  
HETATM    4  C   UNL     1     -14.243   0.544   0.071  1.00  0.00           C  
HETATM    5  C   UNL     1     -12.117   0.222   1.294  1.00  0.00           C  
HETATM    6  C   UNL     1     -12.082   1.659  -1.389  1.00  0.00           C  
HETATM    7  C   UNL     1     -11.518  -0.558  -2.399  1.00  0.00           C  
HETATM    8  C   UNL     1     -13.371   0.556   1.292  1.00  0.00           C  
HETATM    9  C   UNL     1      11.584   1.702  -0.103  1.00  0.00           C  
HETATM   10  C   UNL     1     -10.010   0.411   0.050  1.00  0.00           C  
HETATM   11  C   UNL     1      12.976   2.153  -0.549  1.00  0.00           C  
HETATM   12  C   UNL     1      14.021   1.418   0.299  1.00  0.00           C  
HETATM   13  C   UNL     1     -11.365   0.301   2.598  1.00  0.00           C  
HETATM   14  C   UNL     1      11.516   0.204  -0.058  1.00  0.00           C  
HETATM   15  C   UNL     1      13.992  -0.066  -0.071  1.00  0.00           C  
HETATM   16  C   UNL     1      12.582  -0.579  -0.040  1.00  0.00           C  
HETATM   17  C   UNL     1      10.543   2.228  -1.094  1.00  0.00           C  
HETATM   18  C   UNL     1      11.289   2.266   1.289  1.00  0.00           C  
HETATM   19  C   UNL     1      -8.908  -0.345   0.067  1.00  0.00           C  
HETATM   20  C   UNL     1      12.368  -2.070   0.016  1.00  0.00           C  
HETATM   21  C   UNL     1      10.224  -0.414  -0.033  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.629   0.267   0.042  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.512   1.768  -0.003  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.508  -0.502   0.059  1.00  0.00           C  
HETATM   25  C   UNL     1       9.165  -0.920  -0.012  1.00  0.00           C  
HETATM   26  C   UNL     1       7.873  -1.537   0.013  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.240   0.104   0.034  1.00  0.00           C  
HETATM   28  C   UNL     1       7.756  -3.039   0.059  1.00  0.00           C  
HETATM   29  C   UNL     1       6.747  -0.765  -0.004  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.114  -0.668   0.051  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.850  -0.064   0.026  1.00  0.00           C  
HETATM   32  C   UNL     1       5.483  -1.369   0.021  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.733   1.438  -0.019  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.714  -0.842   0.044  1.00  0.00           C  
HETATM   35  C   UNL     1       4.347  -0.591   0.004  1.00  0.00           C  
HETATM   36  C   UNL     1       3.084  -1.194   0.029  1.00  0.00           C  
HETATM   37  C   UNL     1      -0.451  -0.239   0.019  1.00  0.00           C  
HETATM   38  C   UNL     1       1.948  -0.415   0.011  1.00  0.00           C  
HETATM   39  C   UNL     1       0.685  -1.018   0.036  1.00  0.00           C  
HETATM   40  C   UNL     1       2.967  -2.696   0.074  1.00  0.00           C  
HETATM   41  O   UNL     1     -15.517  -0.010   0.408  1.00  0.00           O  
HETATM   42  O   UNL     1      15.319   1.954   0.034  1.00  0.00           O  
HETATM   43  H   UNL     1     -11.250  -1.321   0.115  1.00  0.00           H  
HETATM   44  H   UNL     1     -14.132  -0.152  -1.967  1.00  0.00           H  
HETATM   45  H   UNL     1     -13.631  -1.355  -0.749  1.00  0.00           H  
HETATM   46  H   UNL     1     -14.376   1.564  -0.288  1.00  0.00           H  
HETATM   47  H   UNL     1     -12.637   1.928  -2.288  1.00  0.00           H  
HETATM   48  H   UNL     1     -12.525   2.156  -0.526  1.00  0.00           H  
HETATM   49  H   UNL     1     -11.044   1.973  -1.496  1.00  0.00           H  
HETATM   50  H   UNL     1     -10.479  -0.246  -2.506  1.00  0.00           H  
HETATM   51  H   UNL     1     -11.559  -1.638  -2.254  1.00  0.00           H  
HETATM   52  H   UNL     1     -12.072  -0.291  -3.299  1.00  0.00           H  
HETATM   53  H   UNL     1     -13.814   0.867   2.227  1.00  0.00           H  
HETATM   54  H   UNL     1      -9.926   1.488   0.018  1.00  0.00           H  
HETATM   55  H   UNL     1      13.121   1.909  -1.601  1.00  0.00           H  
HETATM   56  H   UNL     1      13.077   3.228  -0.402  1.00  0.00           H  
HETATM   57  H   UNL     1      13.783   1.535   1.357  1.00  0.00           H  
HETATM   58  H   UNL     1     -10.924   1.292   2.703  1.00  0.00           H  
HETATM   59  H   UNL     1     -12.052   0.119   3.424  1.00  0.00           H  
HETATM   60  H   UNL     1     -10.576  -0.451   2.608  1.00  0.00           H  
HETATM   61  H   UNL     1      14.401  -0.197  -1.073  1.00  0.00           H  
HETATM   62  H   UNL     1      14.595  -0.629   0.642  1.00  0.00           H  
HETATM   63  H   UNL     1       9.548   1.918  -0.774  1.00  0.00           H  
HETATM   64  H   UNL     1      10.590   3.316  -1.128  1.00  0.00           H  
HETATM   65  H   UNL     1      10.748   1.824  -2.085  1.00  0.00           H  
HETATM   66  H   UNL     1      12.027   1.889   1.997  1.00  0.00           H  
HETATM   67  H   UNL     1      11.338   3.354   1.258  1.00  0.00           H  
HETATM   68  H   UNL     1      10.293   1.955   1.603  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.991  -1.421   0.100  1.00  0.00           H  
HETATM   70  H   UNL     1      12.307  -2.466  -0.998  1.00  0.00           H  
HETATM   71  H   UNL     1      13.203  -2.537   0.539  1.00  0.00           H  
HETATM   72  H   UNL     1      11.441  -2.285   0.546  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.478   2.161   1.013  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.599   2.046  -0.531  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.374   2.184  -0.525  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.592  -1.578   0.092  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.156   1.180   0.002  1.00  0.00           H  
HETATM   78  H   UNL     1       7.733  -3.370   1.097  1.00  0.00           H  
HETATM   79  H   UNL     1       6.838  -3.347  -0.441  1.00  0.00           H  
HETATM   80  H   UNL     1       8.613  -3.485  -0.447  1.00  0.00           H  
HETATM   81  H   UNL     1       6.831   0.311  -0.036  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.198  -1.744   0.084  1.00  0.00           H  
HETATM   83  H   UNL     1       5.399  -2.445   0.054  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.699   1.831   0.997  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.820   1.716  -0.546  1.00  0.00           H  
HETATM   86  H   UNL     1      -3.595   1.854  -0.541  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.798  -1.919   0.076  1.00  0.00           H  
HETATM   88  H   UNL     1       4.431   0.486  -0.029  1.00  0.00           H  
HETATM   89  H   UNL     1      -0.368   0.837  -0.014  1.00  0.00           H  
HETATM   90  H   UNL     1       2.032   0.661  -0.021  1.00  0.00           H  
HETATM   91  H   UNL     1       0.601  -2.094   0.069  1.00  0.00           H  
HETATM   92  H   UNL     1       2.945  -3.027   1.112  1.00  0.00           H  
HETATM   93  H   UNL     1       2.049  -3.004  -0.426  1.00  0.00           H  
HETATM   94  H   UNL     1       3.824  -3.142  -0.431  1.00  0.00           H  
HETATM   95  H   UNL     1     -15.986   0.476   1.101  1.00  0.00           H  
HETATM   96  H   UNL     1      16.029   1.533   0.538  1.00  0.00           H  
CONECT    1    2    3    7    6                                       
CONECT    2    5   10    1   43                                       
CONECT    3    4    1   44   45                                       
CONECT    4   41    8    3   46                                       
CONECT    5    2    8    8   13                                       
CONECT    6    1   47   48   49                                       
CONECT    7    1   50   51   52                                       
CONECT    8    5    5    4   53                                       
CONECT    9   17   11   14   18                                       
CONECT   10    2   19   19   54                                       
CONECT   11    9   12   55   56                                       
CONECT   12   11   42   15   57                                       
CONECT   13    5   58   59   60                                       
CONECT   14    9   21   16   16                                       
CONECT   15   12   16   61   62                                       
CONECT   16   14   14   15   20                                       
CONECT   17    9   63   64   65                                       
CONECT   18    9   66   67   68                                       
CONECT   19   10   10   22   69                                       
CONECT   20   16   70   71   72                                       
CONECT   21   25   25   25   14                                       
CONECT   22   23   19   24   24                                       
CONECT   23   22   73   74   75                                       
CONECT   24   22   22   27   76                                       
CONECT   25   26   21   21   21                                       
CONECT   26   29   29   25   28                                       
CONECT   27   24   30   30   77                                       
CONECT   28   26   78   79   80                                       
CONECT   29   32   26   26   81                                       
CONECT   30   27   27   31   82                                       
CONECT   31   33   30   34   34                                       
CONECT   32   35   35   29   83                                       
CONECT   33   31   84   85   86                                       
CONECT   34   31   31   37   87                                       
CONECT   35   36   32   32   88                                       
CONECT   36   38   38   35   40                                       
CONECT   37   34   39   39   89                                       
CONECT   38   39   36   36   90                                       
CONECT   39   37   37   38   91                                       
CONECT   40   36   92   93   94                                       
CONECT   41    4   95                                                 
CONECT   42   12   96                                                 
CONECT   43    2                                                      
CONECT   44    3                                                      
CONECT   45    3                                                      
CONECT   46    4                                                      
CONECT   47    6                                                      
CONECT   48    6                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51    7                                                      
CONECT   52    7                                                      
CONECT   53    8                                                      
CONECT   54   10                                                      
CONECT   55   11                                                      
CONECT   56   11                                                      
CONECT   57   12                                                      
CONECT   58   13                                                      
CONECT   59   13                                                      
CONECT   60   13                                                      
CONECT   61   15                                                      
CONECT   62   15                                                      
CONECT   63   17                                                      
CONECT   64   17                                                      
CONECT   65   17                                                      
CONECT   66   18                                                      
CONECT   67   18                                                      
CONECT   68   18                                                      
CONECT   69   19                                                      
CONECT   70   20                                                      
CONECT   71   20                                                      
CONECT   72   20                                                      
CONECT   73   23                                                      
CONECT   74   23                                                      
CONECT   75   23                                                      
CONECT   76   24                                                      
CONECT   77   27                                                      
CONECT   78   28                                                      
CONECT   79   28                                                      
CONECT   80   28                                                      
CONECT   81   29                                                      
CONECT   82   30                                                      
CONECT   83   32                                                      
CONECT   84   33                                                      
CONECT   85   33                                                      
CONECT   86   33                                                      
CONECT   87   34                                                      
CONECT   88   35                                                      
CONECT   89   37                                                      
CONECT   90   38                                                      
CONECT   91   39                                                      
CONECT   92   40                                                      
CONECT   93   40                                                      
CONECT   94   40                                                      
CONECT   95   41                                                      
CONECT   96   42                                                      
MASTER        0    0    0    0    0    0    0    0   96    0   96    0
END
