COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.021  -1.381  -0.655  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.553  -1.505  -1.026  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.567  -0.723   0.278  1.00  0.00           C  
HETATM    4  C   UNL     1       1.274   2.510   0.468  1.00  0.00           C  
HETATM    5  C   UNL     1       0.234   3.541   0.024  1.00  0.00           C  
HETATM    6  C   UNL     1       0.184   4.685   1.039  1.00  0.00           C  
HETATM    7  C   UNL     1       2.547   0.476  -0.227  1.00  0.00           C  
HETATM    8  C   UNL     1       5.025   0.243  -0.008  1.00  0.00           C  
HETATM    9  C   UNL     1       7.503   0.010   0.212  1.00  0.00           C  
HETATM   10  C   UNL     1     -15.698  -1.164   1.780  1.00  0.00           C  
HETATM   11  C   UNL     1     -14.426  -0.323   1.652  1.00  0.00           C  
HETATM   12  C   UNL     1     -13.307  -1.179   1.055  1.00  0.00           C  
HETATM   13  C   UNL     1     -12.035  -0.338   0.927  1.00  0.00           C  
HETATM   14  C   UNL     1     -10.916  -1.194   0.330  1.00  0.00           C  
HETATM   15  C   UNL     1      -9.613  -0.392   0.318  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.468  -1.287  -0.162  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.165  -0.486  -0.175  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.717  -0.579  -0.667  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.817   0.541  -1.704  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.256  -0.745  -0.919  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.375  -0.020   0.381  1.00  0.00           C  
HETATM   22  C   UNL     1       0.124   0.662  -0.719  1.00  0.00           C  
HETATM   23  C   UNL     1       1.415   1.431  -0.608  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.857   5.715   0.595  1.00  0.00           C  
HETATM   25  C   UNL     1       3.881   1.226  -0.262  1.00  0.00           C  
HETATM   26  C   UNL     1       6.359   0.993  -0.043  1.00  0.00           C  
HETATM   27  C   UNL     1       7.390  -0.549   1.632  1.00  0.00           C  
HETATM   28  C   UNL     1       8.842   0.734   0.054  1.00  0.00           C  
HETATM   29  C   UNL     1       9.968  -0.259   0.183  1.00  0.00           C  
HETATM   30  C   UNL     1      10.449  -0.906  -0.939  1.00  0.00           C  
HETATM   31  C   UNL     1      11.486  -1.821  -0.823  1.00  0.00           C  
HETATM   32  C   UNL     1      12.040  -2.085   0.420  1.00  0.00           C  
HETATM   33  C   UNL     1      11.556  -1.434   1.544  1.00  0.00           C  
HETATM   34  C   UNL     1      10.522  -0.516   1.422  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.569   0.638  -1.919  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.758  -0.072  -2.018  1.00  0.00           C  
HETATM   37  F   UNL     1     -11.253  -1.556  -0.978  1.00  0.00           F  
HETATM   38  O   UNL     1       0.303   0.002   1.559  1.00  0.00           O  
HETATM   39  O   UNL     1      11.957  -2.458  -1.927  1.00  0.00           O  
HETATM   40  O   UNL     1      12.097  -1.691   2.764  1.00  0.00           O  
HETATM   41  O   UNL     1      -0.083   1.304  -2.999  1.00  0.00           O  
HETATM   42  H   UNL     1      -5.918  -2.231   0.019  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.237  -1.738  -1.661  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.536  -2.351  -0.340  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.679  -1.867  -2.047  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.958  -1.250   1.136  1.00  0.00           H  
HETATM   47  H   UNL     1       2.235   3.004   0.615  1.00  0.00           H  
HETATM   48  H   UNL     1       0.955   2.051   1.403  1.00  0.00           H  
HETATM   49  H   UNL     1       0.508   3.935  -0.955  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.745   3.066  -0.037  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.090   4.290   2.017  1.00  0.00           H  
HETATM   52  H   UNL     1       1.163   5.160   1.099  1.00  0.00           H  
HETATM   53  H   UNL     1       2.374   0.089   0.777  1.00  0.00           H  
HETATM   54  H   UNL     1       2.578  -0.352  -0.935  1.00  0.00           H  
HETATM   55  H   UNL     1       4.895  -0.221   0.970  1.00  0.00           H  
HETATM   56  H   UNL     1       5.021  -0.527  -0.779  1.00  0.00           H  
HETATM   57  H   UNL     1       7.446  -0.808  -0.506  1.00  0.00           H  
HETATM   58  H   UNL     1     -15.506  -2.016   2.431  1.00  0.00           H  
HETATM   59  H   UNL     1     -16.495  -0.554   2.205  1.00  0.00           H  
HETATM   60  H   UNL     1     -15.999  -1.519   0.794  1.00  0.00           H  
HETATM   61  H   UNL     1     -14.618   0.530   1.001  1.00  0.00           H  
HETATM   62  H   UNL     1     -14.125   0.033   2.637  1.00  0.00           H  
HETATM   63  H   UNL     1     -13.115  -2.031   1.706  1.00  0.00           H  
HETATM   64  H   UNL     1     -13.608  -1.534   0.070  1.00  0.00           H  
HETATM   65  H   UNL     1     -12.227   0.515   0.276  1.00  0.00           H  
HETATM   66  H   UNL     1     -11.734   0.018   1.913  1.00  0.00           H  
HETATM   67  H   UNL     1     -10.784  -2.092   0.934  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.716   0.459  -0.356  1.00  0.00           H  
HETATM   69  H   UNL     1      -9.396  -0.034   1.325  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.365  -2.138   0.512  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.684  -1.645  -1.169  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.949  -0.128   0.832  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.268   0.365  -0.848  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.547  -0.147   0.319  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.988   0.109  -2.690  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.647   1.200  -1.448  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.889   1.112  -1.713  1.00  0.00           H  
HETATM   78  H   UNL     1       1.641   1.900  -1.565  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.892   6.530   1.318  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.583   6.109  -0.384  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.836   5.240   0.534  1.00  0.00           H  
HETATM   82  H   UNL     1       4.011   1.690  -1.239  1.00  0.00           H  
HETATM   83  H   UNL     1       3.885   1.996   0.510  1.00  0.00           H  
HETATM   84  H   UNL     1       6.489   1.457  -1.020  1.00  0.00           H  
HETATM   85  H   UNL     1       6.363   1.763   0.729  1.00  0.00           H  
HETATM   86  H   UNL     1       6.436  -1.064   1.744  1.00  0.00           H  
HETATM   87  H   UNL     1       8.205  -1.249   1.813  1.00  0.00           H  
HETATM   88  H   UNL     1       7.447   0.269   2.349  1.00  0.00           H  
HETATM   89  H   UNL     1       8.885   1.207  -0.927  1.00  0.00           H  
HETATM   90  H   UNL     1       8.937   1.494   0.829  1.00  0.00           H  
HETATM   91  H   UNL     1      10.017  -0.700  -1.908  1.00  0.00           H  
HETATM   92  H   UNL     1      12.847  -2.797   0.512  1.00  0.00           H  
HETATM   93  H   UNL     1      10.145  -0.008   2.297  1.00  0.00           H  
HETATM   94  H   UNL     1      -2.298  -0.091  -2.953  1.00  0.00           H  
HETATM   95  H   UNL     1       0.946  -0.714   1.656  1.00  0.00           H  
HETATM   96  H   UNL     1      12.680  -1.994  -2.371  1.00  0.00           H  
HETATM   97  H   UNL     1      12.840  -1.116   2.994  1.00  0.00           H  
HETATM   98  H   UNL     1       0.505   0.776  -3.555  1.00  0.00           H  
CONECT    1   18   17   42   43                                       
CONECT    2   20   18   44   45                                       
CONECT    3   21   21   20   46                                       
CONECT    4    5   23   47   48                                       
CONECT    5    6    4   49   50                                       
CONECT    6   24    5   51   52                                       
CONECT    7   23   25   53   54                                       
CONECT    8   25   26   55   56                                       
CONECT    9   26   28   27   57                                       
CONECT   10   11   58   59   60                                       
CONECT   11   12   10   61   62                                       
CONECT   12   13   11   63   64                                       
CONECT   13   14   12   65   66                                       
CONECT   14   15   13   37   67                                       
CONECT   15   16   14   68   69                                       
CONECT   16   17   15   70   71                                       
CONECT   17    1   16   72   73                                       
CONECT   18    2    1   19   74                                       
CONECT   19   18   75   76   77                                       
CONECT   20   36   36    3    2                                       
CONECT   21   22   38    3    3                                       
CONECT   22   23   35   35   21                                       
CONECT   23    4    7   22   78                                       
CONECT   24    6   79   80   81                                       
CONECT   25    7    8   82   83                                       
CONECT   26    8    9   84   85                                       
CONECT   27    9   86   87   88                                       
CONECT   28   29    9   89   90                                       
CONECT   29   34   28   30   30                                       
CONECT   30   29   29   31   91                                       
CONECT   31   32   32   30   39                                       
CONECT   32   33   31   31   92                                       
CONECT   33   40   34   34   32                                       
CONECT   34   33   33   29   93                                       
CONECT   35   41   22   22   36                                       
CONECT   36   35   20   20   94                                       
CONECT   37   14                                                      
CONECT   38   21   95                                                 
CONECT   39   31   96                                                 
CONECT   40   33   97                                                 
CONECT   41   35   98                                                 
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    2                                                      
CONECT   46    3                                                      
CONECT   47    4                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    5                                                      
CONECT   51    6                                                      
CONECT   52    6                                                      
CONECT   53    7                                                      
CONECT   54    7                                                      
CONECT   55    8                                                      
CONECT   56    8                                                      
CONECT   57    9                                                      
CONECT   58   10                                                      
CONECT   59   10                                                      
CONECT   60   10                                                      
CONECT   61   11                                                      
CONECT   62   11                                                      
CONECT   63   12                                                      
CONECT   64   12                                                      
CONECT   65   13                                                      
CONECT   66   13                                                      
CONECT   67   14                                                      
CONECT   68   15                                                      
CONECT   69   15                                                      
CONECT   70   16                                                      
CONECT   71   16                                                      
CONECT   72   17                                                      
CONECT   73   17                                                      
CONECT   74   18                                                      
CONECT   75   19                                                      
CONECT   76   19                                                      
CONECT   77   19                                                      
CONECT   78   23                                                      
CONECT   79   24                                                      
CONECT   80   24                                                      
CONECT   81   24                                                      
CONECT   82   25                                                      
CONECT   83   25                                                      
CONECT   84   26                                                      
CONECT   85   26                                                      
CONECT   86   27                                                      
CONECT   87   27                                                      
CONECT   88   27                                                      
CONECT   89   28                                                      
CONECT   90   28                                                      
CONECT   91   30                                                      
CONECT   92   32                                                      
CONECT   93   34                                                      
CONECT   94   36                                                      
CONECT   95   38                                                      
CONECT   96   39                                                      
CONECT   97   40                                                      
CONECT   98   41                                                      
MASTER        0    0    0    0    0    0    0    0   98    0   98    0
END
