COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -15.758   0.214  -2.037  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.052   0.348   0.724  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.804  -0.268   0.889  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.648   0.441   0.643  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.402  -0.174   0.808  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.245   0.535   0.563  1.00  0.00           C  
HETATM    7  C   UNL     1       0.000  -0.080   0.728  1.00  0.00           C  
HETATM    8  C   UNL     1       1.157   0.629   0.482  1.00  0.00           C  
HETATM    9  C   UNL     1       2.403   0.015   0.647  1.00  0.00           C  
HETATM   10  C   UNL     1       3.559   0.724   0.401  1.00  0.00           C  
HETATM   11  C   UNL     1       4.805   0.109   0.566  1.00  0.00           C  
HETATM   12  C   UNL     1     -15.217   0.524  -0.640  1.00  0.00           C  
HETATM   13  C   UNL     1       5.961   0.817   0.320  1.00  0.00           C  
HETATM   14  C   UNL     1       7.209   0.201   0.485  1.00  0.00           C  
HETATM   15  C   UNL     1       8.354   0.904   0.242  1.00  0.00           C  
HETATM   16  C   UNL     1       9.606   0.286   0.408  1.00  0.00           C  
HETATM   17  C   UNL     1      10.746   0.985   0.165  1.00  0.00           C  
HETATM   18  C   UNL     1      12.008   0.362   0.332  1.00  0.00           C  
HETATM   19  C   UNL     1      13.129   1.050   0.094  1.00  0.00           C  
HETATM   20  C   UNL     1      14.472   0.387   0.272  1.00  0.00           C  
HETATM   21  C   UNL     1      14.953  -0.158  -1.074  1.00  0.00           C  
HETATM   22  C   UNL     1      16.295  -0.820  -0.897  1.00  0.00           C  
HETATM   23  C   UNL     1     -13.855  -0.148  -0.460  1.00  0.00           C  
HETATM   24  C   UNL     1     -17.059   0.986  -2.263  1.00  0.00           C  
HETATM   25  C   UNL     1     -14.727   0.633  -3.088  1.00  0.00           C  
HETATM   26  C   UNL     1     -11.894  -1.938   1.561  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.119  -1.791   1.414  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.324  -1.612   1.255  1.00  0.00           C  
HETATM   29  C   UNL     1       3.481   2.161  -0.046  1.00  0.00           C  
HETATM   30  C   UNL     1       8.276   2.341  -0.204  1.00  0.00           C  
HETATM   31  C   UNL     1      13.052   2.487  -0.352  1.00  0.00           C  
HETATM   32  C   UNL     1      16.450  -2.081  -1.214  1.00  0.00           C  
HETATM   33  C   UNL     1     -13.314   0.162   0.938  1.00  0.00           C  
HETATM   34  C   UNL     1      15.259  -2.905  -1.630  1.00  0.00           C  
HETATM   35  C   UNL     1      17.820  -2.708  -1.162  1.00  0.00           C  
HETATM   36  C   UNL     1     -11.972  -0.500   1.115  1.00  0.00           C  
HETATM   37  C   UNL     1     -10.851   0.187   0.877  1.00  0.00           C  
HETATM   38  C   UNL     1      -9.589  -0.436   1.044  1.00  0.00           C  
HETATM   39  C   UNL     1      -8.448   0.263   0.802  1.00  0.00           C  
HETATM   40  C   UNL     1      -7.197  -0.354   0.967  1.00  0.00           C  
HETATM   41  O   UNL     1     -16.010  -1.188  -2.150  1.00  0.00           O  
HETATM   42  H   UNL     1      -6.107   1.378   0.404  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.748  -1.298   1.209  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.704   1.471   0.324  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.301   1.565   0.243  1.00  0.00           H  
HETATM   46  H   UNL     1       0.056  -1.110   1.047  1.00  0.00           H  
HETATM   47  H   UNL     1       1.101   1.659   0.162  1.00  0.00           H  
HETATM   48  H   UNL     1       2.458  -1.015   0.966  1.00  0.00           H  
HETATM   49  H   UNL     1       4.861  -0.921   0.886  1.00  0.00           H  
HETATM   50  H   UNL     1     -15.109   1.602  -0.524  1.00  0.00           H  
HETATM   51  H   UNL     1     -15.912   0.146   0.110  1.00  0.00           H  
HETATM   52  H   UNL     1       5.905   1.847   0.000  1.00  0.00           H  
HETATM   53  H   UNL     1       7.265  -0.829   0.805  1.00  0.00           H  
HETATM   54  H   UNL     1       9.661  -0.744   0.727  1.00  0.00           H  
HETATM   55  H   UNL     1      10.690   2.015  -0.155  1.00  0.00           H  
HETATM   56  H   UNL     1      12.064  -0.668   0.652  1.00  0.00           H  
HETATM   57  H   UNL     1      15.190   1.117   0.646  1.00  0.00           H  
HETATM   58  H   UNL     1      14.381  -0.432   0.984  1.00  0.00           H  
HETATM   59  H   UNL     1      14.235  -0.887  -1.449  1.00  0.00           H  
HETATM   60  H   UNL     1      15.044   0.662  -1.787  1.00  0.00           H  
HETATM   61  H   UNL     1      17.129  -0.254  -0.508  1.00  0.00           H  
HETATM   62  H   UNL     1     -13.964  -1.226  -0.576  1.00  0.00           H  
HETATM   63  H   UNL     1     -13.161   0.230  -1.210  1.00  0.00           H  
HETATM   64  H   UNL     1     -16.867   2.056  -2.177  1.00  0.00           H  
HETATM   65  H   UNL     1     -17.445   0.766  -3.259  1.00  0.00           H  
HETATM   66  H   UNL     1     -17.794   0.688  -1.515  1.00  0.00           H  
HETATM   67  H   UNL     1     -14.535   1.702  -3.001  1.00  0.00           H  
HETATM   68  H   UNL     1     -13.800   0.083  -2.926  1.00  0.00           H  
HETATM   69  H   UNL     1     -15.113   0.412  -4.083  1.00  0.00           H  
HETATM   70  H   UNL     1     -11.897  -2.590   0.688  1.00  0.00           H  
HETATM   71  H   UNL     1     -10.976  -2.093   2.128  1.00  0.00           H  
HETATM   72  H   UNL     1     -12.754  -2.170   2.191  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.121  -2.444   0.540  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.201  -1.947   1.981  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.978  -2.024   2.043  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.326  -2.264   0.382  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.406  -1.767   1.822  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.183  -1.844   1.884  1.00  0.00           H  
HETATM   79  H   UNL     1       3.483   2.813   0.828  1.00  0.00           H  
HETATM   80  H   UNL     1       4.340   2.393  -0.675  1.00  0.00           H  
HETATM   81  H   UNL     1       2.563   2.316  -0.613  1.00  0.00           H  
HETATM   82  H   UNL     1       8.278   2.993   0.669  1.00  0.00           H  
HETATM   83  H   UNL     1       9.135   2.573  -0.834  1.00  0.00           H  
HETATM   84  H   UNL     1       7.358   2.496  -0.771  1.00  0.00           H  
HETATM   85  H   UNL     1      13.054   3.139   0.521  1.00  0.00           H  
HETATM   86  H   UNL     1      13.911   2.719  -0.981  1.00  0.00           H  
HETATM   87  H   UNL     1      12.134   2.642  -0.919  1.00  0.00           H  
HETATM   88  H   UNL     1     -13.206   1.240   1.054  1.00  0.00           H  
HETATM   89  H   UNL     1     -14.008  -0.217   1.688  1.00  0.00           H  
HETATM   90  H   UNL     1      15.075  -2.765  -2.695  1.00  0.00           H  
HETATM   91  H   UNL     1      15.459  -3.958  -1.432  1.00  0.00           H  
HETATM   92  H   UNL     1      14.383  -2.589  -1.065  1.00  0.00           H  
HETATM   93  H   UNL     1      18.549  -1.964  -0.842  1.00  0.00           H  
HETATM   94  H   UNL     1      17.813  -3.538  -0.455  1.00  0.00           H  
HETATM   95  H   UNL     1      18.088  -3.077  -2.152  1.00  0.00           H  
HETATM   96  H   UNL     1     -10.907   1.217   0.557  1.00  0.00           H  
HETATM   97  H   UNL     1      -9.533  -1.466   1.364  1.00  0.00           H  
HETATM   98  H   UNL     1      -8.504   1.293   0.482  1.00  0.00           H  
HETATM   99  H   UNL     1     -16.356  -1.457  -3.012  1.00  0.00           H  
CONECT    1   41   25   24   12                                       
CONECT    2   40   40    3   42                                       
CONECT    3    2    4    4   43                                       
CONECT    4    3    3    5   44                                       
CONECT    5    4    6    6   28                                       
CONECT    6    5    5    7   45                                       
CONECT    7    6    8    8   46                                       
CONECT    8    7    7    9   47                                       
CONECT    9    8   10   10   48                                       
CONECT   10   29    9    9   11                                       
CONECT   11   10   13   13   49                                       
CONECT   12    1   23   50   51                                       
CONECT   13   11   11   14   52                                       
CONECT   14   13   15   15   53                                       
CONECT   15   30   14   14   16                                       
CONECT   16   15   17   17   54                                       
CONECT   17   16   16   18   55                                       
CONECT   18   17   19   19   56                                       
CONECT   19   18   18   31   20                                       
CONECT   20   19   21   57   58                                       
CONECT   21   20   22   59   60                                       
CONECT   22   21   32   32   61                                       
CONECT   23   12   33   62   63                                       
CONECT   24    1   64   65   66                                       
CONECT   25    1   67   68   69                                       
CONECT   26   36   70   71   72                                       
CONECT   27   40   73   74   75                                       
CONECT   28    5   76   77   78                                       
CONECT   29   10   79   80   81                                       
CONECT   30   15   82   83   84                                       
CONECT   31   19   85   86   87                                       
CONECT   32   22   22   35   34                                       
CONECT   33   23   36   88   89                                       
CONECT   34   32   90   91   92                                       
CONECT   35   32   93   94   95                                       
CONECT   36   33   26   37   37                                       
CONECT   37   36   36   38   96                                       
CONECT   38   37   39   39   97                                       
CONECT   39   38   38   40   98                                       
CONECT   40   39   27    2    2                                       
CONECT   41    1   99                                                 
CONECT   42    2                                                      
CONECT   43    3                                                      
CONECT   44    4                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   18                                                      
CONECT   57   20                                                      
CONECT   58   20                                                      
CONECT   59   21                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   23                                                      
CONECT   63   23                                                      
CONECT   64   24                                                      
CONECT   65   24                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   25                                                      
CONECT   69   25                                                      
CONECT   70   26                                                      
CONECT   71   26                                                      
CONECT   72   26                                                      
CONECT   73   27                                                      
CONECT   74   27                                                      
CONECT   75   27                                                      
CONECT   76   28                                                      
CONECT   77   28                                                      
CONECT   78   28                                                      
CONECT   79   29                                                      
CONECT   80   29                                                      
CONECT   81   29                                                      
CONECT   82   30                                                      
CONECT   83   30                                                      
CONECT   84   30                                                      
CONECT   85   31                                                      
CONECT   86   31                                                      
CONECT   87   31                                                      
CONECT   88   33                                                      
CONECT   89   33                                                      
CONECT   90   34                                                      
CONECT   91   34                                                      
CONECT   92   34                                                      
CONECT   93   35                                                      
CONECT   94   35                                                      
CONECT   95   35                                                      
CONECT   96   37                                                      
CONECT   97   38                                                      
CONECT   98   39                                                      
CONECT   99   41                                                      
MASTER        0    0    0    0    0    0    0    0   99    0   99    0
END
