COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -9.576   2.707   0.394  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.771   0.383   1.639  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.647   0.133  -0.304  1.00  0.00           C  
HETATM    4  C   UNL     1       2.117   0.063   0.117  1.00  0.00           C  
HETATM    5  C   UNL     1       3.533   0.086   0.668  1.00  0.00           C  
HETATM    6  C   UNL     1       4.355  -0.974  -0.071  1.00  0.00           C  
HETATM    7  C   UNL     1       6.613  -0.169  -0.102  1.00  0.00           C  
HETATM    8  C   UNL     1       8.987   0.609  -0.060  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.773  -0.942   1.139  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.822  -1.033  -0.387  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.993   0.122  -1.010  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.891   1.334  -0.734  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.316   0.795  -1.029  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.239  -0.753  -0.875  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.243  -1.065   0.261  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.070  -2.309  -0.069  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.126   0.201   0.272  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.952   1.267  -0.848  1.00  0.00           C  
HETATM   19  C   UNL     1      -8.700   1.454   0.475  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.686   1.612   1.611  1.00  0.00           C  
HETATM   21  C   UNL     1       0.206   1.284  -0.847  1.00  0.00           C  
HETATM   22  C   UNL     1       1.590   1.185  -0.275  1.00  0.00           C  
HETATM   23  C   UNL     1       7.969  -0.333   0.587  1.00  0.00           C  
HETATM   24  C   UNL     1       8.575   2.059   0.197  1.00  0.00           C  
HETATM   25  C   UNL     1      10.370   0.356   0.543  1.00  0.00           C  
HETATM   26  C   UNL     1       3.665  -2.333   0.055  1.00  0.00           C  
HETATM   27  C   UNL     1       2.303  -2.286  -0.640  1.00  0.00           C  
HETATM   28  C   UNL     1       1.410  -1.258   0.061  1.00  0.00           C  
HETATM   29  C   UNL     1       1.171  -1.733   1.496  1.00  0.00           C  
HETATM   30  C   UNL     1       0.059  -1.189  -0.632  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.784  -2.395  -0.230  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.191  -2.334  -0.845  1.00  0.00           C  
HETATM   33  O   UNL     1      -7.109   0.116  -0.753  1.00  0.00           O  
HETATM   34  O   UNL     1      -5.206   1.271  -0.005  1.00  0.00           O  
HETATM   35  O   UNL     1       5.662  -1.048   0.502  1.00  0.00           O  
HETATM   36  O   UNL     1       9.459   2.937  -0.504  1.00  0.00           O  
HETATM   37  O   UNL     1      11.340   1.152  -0.141  1.00  0.00           O  
HETATM   38  H   UNL     1     -10.295   2.596  -0.417  1.00  0.00           H  
HETATM   39  H   UNL     1     -10.108   2.840   1.336  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.947   3.578   0.206  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.358  -0.502   1.884  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.994   0.524   2.391  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.771   0.236   0.774  1.00  0.00           H  
HETATM   44  H   UNL     1       3.974   1.070   0.509  1.00  0.00           H  
HETATM   45  H   UNL     1       3.516  -0.140   1.735  1.00  0.00           H  
HETATM   46  H   UNL     1       4.435  -0.702  -1.124  1.00  0.00           H  
HETATM   47  H   UNL     1       6.274   0.861   0.004  1.00  0.00           H  
HETATM   48  H   UNL     1       6.711  -0.412  -1.160  1.00  0.00           H  
HETATM   49  H   UNL     1       9.020   0.425  -1.134  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.292  -0.041   1.467  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.257  -1.818   1.571  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.734  -0.902   1.467  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.861  -0.035  -2.080  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.806   1.647   0.306  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.642   2.157  -1.404  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.651   1.081  -2.026  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.470  -1.278  -1.802  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.726  -1.186   1.213  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.406  -3.164  -0.194  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.768  -2.507   0.745  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.626  -2.141  -0.991  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.671   1.127  -1.656  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.344   2.149  -1.051  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.328   0.584   0.664  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.212   1.696   2.561  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.087   2.508   1.444  1.00  0.00           H  
HETATM   67  H   UNL     1       0.256   1.219  -1.934  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.240   2.236  -0.558  1.00  0.00           H  
HETATM   69  H   UNL     1       2.176   2.088  -0.186  1.00  0.00           H  
HETATM   70  H   UNL     1       7.871  -0.090   1.645  1.00  0.00           H  
HETATM   71  H   UNL     1       8.308  -1.363   0.481  1.00  0.00           H  
HETATM   72  H   UNL     1       7.555   2.215  -0.154  1.00  0.00           H  
HETATM   73  H   UNL     1       8.628   2.268   1.265  1.00  0.00           H  
HETATM   74  H   UNL     1      10.360   0.625   1.599  1.00  0.00           H  
HETATM   75  H   UNL     1      10.626  -0.698   0.439  1.00  0.00           H  
HETATM   76  H   UNL     1       4.284  -3.099  -0.412  1.00  0.00           H  
HETATM   77  H   UNL     1       3.525  -2.572   1.109  1.00  0.00           H  
HETATM   78  H   UNL     1       2.437  -2.000  -1.683  1.00  0.00           H  
HETATM   79  H   UNL     1       1.835  -3.269  -0.589  1.00  0.00           H  
HETATM   80  H   UNL     1       0.452  -1.075   1.982  1.00  0.00           H  
HETATM   81  H   UNL     1       0.780  -2.751   1.481  1.00  0.00           H  
HETATM   82  H   UNL     1       2.112  -1.713   2.046  1.00  0.00           H  
HETATM   83  H   UNL     1       0.223  -1.234  -1.709  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.289  -3.305  -0.571  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.869  -2.423   0.856  1.00  0.00           H  
HETATM   86  H   UNL     1      -2.786  -3.178  -0.497  1.00  0.00           H  
HETATM   87  H   UNL     1      -2.122  -2.351  -1.933  1.00  0.00           H  
HETATM   88  H   UNL     1       9.257   3.875  -0.387  1.00  0.00           H  
HETATM   89  H   UNL     1      12.243   1.043   0.190  1.00  0.00           H  
CONECT    1   19   38   39   40                                       
CONECT    2   20   17   41   42                                       
CONECT    3   11   21   30   43                                       
CONECT    4   22   22   28    5                                       
CONECT    5    4    6   44   45                                       
CONECT    6    5   26   35   46                                       
CONECT    7   35   23   47   48                                       
CONECT    8   23   24   25   49                                       
CONECT    9   10   50   51   52                                       
CONECT   10   14    9   11   32                                       
CONECT   11   12   10    3   53                                       
CONECT   12   13   11   54   55                                       
CONECT   13   34   14   12   56                                       
CONECT   14   15   13   10   57                                       
CONECT   15   17   16   14   58                                       
CONECT   16   15   59   60   61                                       
CONECT   17   33    2   34   15                                       
CONECT   18   19   33   62   63                                       
CONECT   19    1   18   20   64                                       
CONECT   20   19    2   65   66                                       
CONECT   21    3   22   67   68                                       
CONECT   22   21    4    4   69                                       
CONECT   23    7    8   70   71                                       
CONECT   24    8   36   72   73                                       
CONECT   25    8   37   74   75                                       
CONECT   26   27    6   76   77                                       
CONECT   27   28   26   78   79                                       
CONECT   28   30    4   29   27                                       
CONECT   29   28   80   81   82                                       
CONECT   30    3   31   28   83                                       
CONECT   31   32   30   84   85                                       
CONECT   32   10   31   86   87                                       
CONECT   33   18   17                                                 
CONECT   34   17   13                                                 
CONECT   35    6    7                                                 
CONECT   36   24   88                                                 
CONECT   37   25   89                                                 
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    2                                                      
CONECT   42    2                                                      
CONECT   43    3                                                      
CONECT   44    5                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51    9                                                      
CONECT   52    9                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   16                                                      
CONECT   61   16                                                      
CONECT   62   18                                                      
CONECT   63   18                                                      
CONECT   64   19                                                      
CONECT   65   20                                                      
CONECT   66   20                                                      
CONECT   67   21                                                      
CONECT   68   21                                                      
CONECT   69   22                                                      
CONECT   70   23                                                      
CONECT   71   23                                                      
CONECT   72   24                                                      
CONECT   73   24                                                      
CONECT   74   25                                                      
CONECT   75   25                                                      
CONECT   76   26                                                      
CONECT   77   26                                                      
CONECT   78   27                                                      
CONECT   79   27                                                      
CONECT   80   29                                                      
CONECT   81   29                                                      
CONECT   82   29                                                      
CONECT   83   30                                                      
CONECT   84   31                                                      
CONECT   85   31                                                      
CONECT   86   32                                                      
CONECT   87   32                                                      
CONECT   88   36                                                      
CONECT   89   37                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
