COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -11.484   0.005   0.116  1.00  0.00           C  
HETATM    2  C   UNL     1      -9.080   0.076   0.149  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.845  -0.458   0.555  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.681   0.090   0.100  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.450  -0.443   0.505  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.275   0.109   0.045  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.046  -0.423   0.451  1.00  0.00           C  
HETATM    8  C   UNL     1       0.534   0.151  -0.065  1.00  0.00           C  
HETATM    9  C   UNL     1       1.764  -0.382   0.340  1.00  0.00           C  
HETATM   10  C   UNL     1       2.939   0.171  -0.119  1.00  0.00           C  
HETATM   11  C   UNL     1       4.170  -0.362   0.286  1.00  0.00           C  
HETATM   12  C   UNL     1       5.334   0.186  -0.170  1.00  0.00           C  
HETATM   13  C   UNL     1       6.569  -0.349   0.237  1.00  0.00           C  
HETATM   14  C   UNL     1       7.728   0.197  -0.217  1.00  0.00           C  
HETATM   15  C   UNL     1      10.113   0.194  -0.253  1.00  0.00           C  
HETATM   16  C   UNL     1      11.437  -0.379   0.183  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.807  -1.636   1.495  1.00  0.00           C  
HETATM   18  C   UNL     1       2.900   1.349  -1.059  1.00  0.00           C  
HETATM   19  C   UNL     1     -12.420  -0.984  -0.515  1.00  0.00           C  
HETATM   20  C   UNL     1     -13.485  -0.251  -1.334  1.00  0.00           C  
HETATM   21  C   UNL     1     -14.096   0.853  -0.463  1.00  0.00           C  
HETATM   22  C   UNL     1     -13.033   1.926  -0.221  1.00  0.00           C  
HETATM   23  C   UNL     1     -11.756   1.292   0.250  1.00  0.00           C  
HETATM   24  C   UNL     1      12.243   0.701   0.908  1.00  0.00           C  
HETATM   25  C   UNL     1      13.673   0.185   1.111  1.00  0.00           C  
HETATM   26  C   UNL     1       8.974  -0.342   0.193  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.007  -1.601   1.390  1.00  0.00           C  
HETATM   28  C   UNL     1       7.690   1.375  -1.156  1.00  0.00           C  
HETATM   29  C   UNL     1      14.346   0.071  -0.259  1.00  0.00           C  
HETATM   30  C   UNL     1      13.456  -0.673  -1.211  1.00  0.00           C  
HETATM   31  C   UNL     1      12.190  -0.864  -1.021  1.00  0.00           C  
HETATM   32  C   UNL     1      11.424  -1.623  -2.074  1.00  0.00           C  
HETATM   33  C   UNL     1     -10.728   2.172   0.913  1.00  0.00           C  
HETATM   34  C   UNL     1     -13.101  -1.808   0.579  1.00  0.00           C  
HETATM   35  C   UNL     1      12.268   1.978   0.065  1.00  0.00           C  
HETATM   36  C   UNL     1     -11.629  -1.916  -1.435  1.00  0.00           C  
HETATM   37  C   UNL     1      11.604   0.994   2.267  1.00  0.00           C  
HETATM   38  C   UNL     1     -10.239  -0.469   0.603  1.00  0.00           C  
HETATM   39  C   UNL     1      -1.870   0.130  -0.010  1.00  0.00           C  
HETATM   40  C   UNL     1      -0.641  -0.402   0.395  1.00  0.00           C  
HETATM   41  O   UNL     1     -15.217   1.431  -1.136  1.00  0.00           O  
HETATM   42  O   UNL     1      15.584  -0.630  -0.122  1.00  0.00           O  
HETATM   43  H   UNL     1      -9.108   0.920  -0.524  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.709   0.934  -0.573  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.422  -1.288   1.178  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.303   0.953  -0.628  1.00  0.00           H  
HETATM   47  H   UNL     1       0.507   0.995  -0.738  1.00  0.00           H  
HETATM   48  H   UNL     1       1.792  -1.226   1.013  1.00  0.00           H  
HETATM   49  H   UNL     1       4.198  -1.206   0.959  1.00  0.00           H  
HETATM   50  H   UNL     1       5.306   1.030  -0.843  1.00  0.00           H  
HETATM   51  H   UNL     1       6.597  -1.193   0.910  1.00  0.00           H  
HETATM   52  H   UNL     1      10.086   1.039  -0.926  1.00  0.00           H  
HETATM   53  H   UNL     1      11.264  -1.215   0.860  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.810  -2.561   0.918  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.901  -1.589   2.100  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.681  -1.611   2.146  1.00  0.00           H  
HETATM   57  H   UNL     1       2.904   2.274  -0.482  1.00  0.00           H  
HETATM   58  H   UNL     1       3.774   1.324  -1.710  1.00  0.00           H  
HETATM   59  H   UNL     1       1.995   1.302  -1.664  1.00  0.00           H  
HETATM   60  H   UNL     1     -13.026   0.192  -2.218  1.00  0.00           H  
HETATM   61  H   UNL     1     -14.263  -0.953  -1.635  1.00  0.00           H  
HETATM   62  H   UNL     1     -14.418   0.432   0.489  1.00  0.00           H  
HETATM   63  H   UNL     1     -12.846   2.466  -1.150  1.00  0.00           H  
HETATM   64  H   UNL     1     -13.389   2.624   0.537  1.00  0.00           H  
HETATM   65  H   UNL     1      14.230   0.884   1.736  1.00  0.00           H  
HETATM   66  H   UNL     1      13.645  -0.793   1.592  1.00  0.00           H  
HETATM   67  H   UNL     1       9.001  -1.186   0.866  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.010  -2.526   0.813  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.102  -1.554   1.995  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.881  -1.575   2.041  1.00  0.00           H  
HETATM   71  H   UNL     1       7.693   2.300  -0.579  1.00  0.00           H  
HETATM   72  H   UNL     1       8.564   1.349  -1.807  1.00  0.00           H  
HETATM   73  H   UNL     1       6.784   1.328  -1.761  1.00  0.00           H  
HETATM   74  H   UNL     1      14.540   1.069  -0.650  1.00  0.00           H  
HETATM   75  H   UNL     1      13.899  -1.072  -2.111  1.00  0.00           H  
HETATM   76  H   UNL     1      12.100  -1.908  -2.880  1.00  0.00           H  
HETATM   77  H   UNL     1      10.988  -2.518  -1.632  1.00  0.00           H  
HETATM   78  H   UNL     1      10.630  -0.991  -2.473  1.00  0.00           H  
HETATM   79  H   UNL     1      -9.996   2.496   0.173  1.00  0.00           H  
HETATM   80  H   UNL     1     -11.219   3.044   1.344  1.00  0.00           H  
HETATM   81  H   UNL     1     -10.224   1.611   1.701  1.00  0.00           H  
HETATM   82  H   UNL     1     -13.661  -1.145   1.238  1.00  0.00           H  
HETATM   83  H   UNL     1     -13.781  -2.527   0.122  1.00  0.00           H  
HETATM   84  H   UNL     1     -12.345  -2.341   1.156  1.00  0.00           H  
HETATM   85  H   UNL     1      11.248   2.330  -0.090  1.00  0.00           H  
HETATM   86  H   UNL     1      12.842   2.745   0.584  1.00  0.00           H  
HETATM   87  H   UNL     1      12.730   1.768  -0.899  1.00  0.00           H  
HETATM   88  H   UNL     1     -10.938  -2.513  -0.840  1.00  0.00           H  
HETATM   89  H   UNL     1     -12.317  -2.576  -1.963  1.00  0.00           H  
HETATM   90  H   UNL     1     -11.068  -1.323  -2.158  1.00  0.00           H  
HETATM   91  H   UNL     1      11.595   0.085   2.868  1.00  0.00           H  
HETATM   92  H   UNL     1      12.181   1.764   2.781  1.00  0.00           H  
HETATM   93  H   UNL     1      10.582   1.343   2.120  1.00  0.00           H  
HETATM   94  H   UNL     1     -10.212  -1.264   1.334  1.00  0.00           H  
HETATM   95  H   UNL     1      -1.898   0.974  -0.683  1.00  0.00           H  
HETATM   96  H   UNL     1      -0.613  -1.246   1.068  1.00  0.00           H  
HETATM   97  H   UNL     1     -15.652   2.138  -0.640  1.00  0.00           H  
HETATM   98  H   UNL     1      16.072  -0.731  -0.950  1.00  0.00           H  
CONECT    1   38   23   23   19                                       
CONECT    2    3   38   38   43                                       
CONECT    3   17    4    4    2                                       
CONECT    4    5    3    3   44                                       
CONECT    5    6    6    4   45                                       
CONECT    6    7    5    5   46                                       
CONECT    7   27   39   39    6                                       
CONECT    8    9   40   40   47                                       
CONECT    9   10   10    8   48                                       
CONECT   10   11    9    9   18                                       
CONECT   11   12   12   10   49                                       
CONECT   12   13   11   11   50                                       
CONECT   13   14   14   12   51                                       
CONECT   14   26   13   13   28                                       
CONECT   15   16   26   26   52                                       
CONECT   16   31   24   15   53                                       
CONECT   17    3   54   55   56                                       
CONECT   18   10   57   58   59                                       
CONECT   19    1   36   34   20                                       
CONECT   20   19   21   60   61                                       
CONECT   21   22   20   41   62                                       
CONECT   22   23   21   63   64                                       
CONECT   23   33    1    1   22                                       
CONECT   24   25   16   37   35                                       
CONECT   25   29   24   65   66                                       
CONECT   26   15   15   14   67                                       
CONECT   27    7   68   69   70                                       
CONECT   28   14   71   72   73                                       
CONECT   29   42   30   25   74                                       
CONECT   30   29   31   31   75                                       
CONECT   31   30   30   32   16                                       
CONECT   32   31   76   77   78                                       
CONECT   33   23   79   80   81                                       
CONECT   34   19   82   83   84                                       
CONECT   35   24   85   86   87                                       
CONECT   36   19   88   89   90                                       
CONECT   37   24   91   92   93                                       
CONECT   38    2    2    1   94                                       
CONECT   39   40    7    7   95                                       
CONECT   40    8    8   39   96                                       
CONECT   41   21   97                                                 
CONECT   42   29   98                                                 
CONECT   43    2                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   15                                                      
CONECT   53   16                                                      
CONECT   54   17                                                      
CONECT   55   17                                                      
CONECT   56   17                                                      
CONECT   57   18                                                      
CONECT   58   18                                                      
CONECT   59   18                                                      
CONECT   60   20                                                      
CONECT   61   20                                                      
CONECT   62   21                                                      
CONECT   63   22                                                      
CONECT   64   22                                                      
CONECT   65   25                                                      
CONECT   66   25                                                      
CONECT   67   26                                                      
CONECT   68   27                                                      
CONECT   69   27                                                      
CONECT   70   27                                                      
CONECT   71   28                                                      
CONECT   72   28                                                      
CONECT   73   28                                                      
CONECT   74   29                                                      
CONECT   75   30                                                      
CONECT   76   32                                                      
CONECT   77   32                                                      
CONECT   78   32                                                      
CONECT   79   33                                                      
CONECT   80   33                                                      
CONECT   81   33                                                      
CONECT   82   34                                                      
CONECT   83   34                                                      
CONECT   84   34                                                      
CONECT   85   35                                                      
CONECT   86   35                                                      
CONECT   87   35                                                      
CONECT   88   36                                                      
CONECT   89   36                                                      
CONECT   90   36                                                      
CONECT   91   37                                                      
CONECT   92   37                                                      
CONECT   93   37                                                      
CONECT   94   38                                                      
CONECT   95   39                                                      
CONECT   96   40                                                      
CONECT   97   41                                                      
CONECT   98   42                                                      
MASTER        0    0    0    0    0    0    0    0   98    0   98    0
END
