COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -8.698  -0.949   0.047  1.00  0.00           O  
HETATM    2  C   UNL     1      -2.619   0.721  -0.270  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.855   0.073  -0.226  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.023   0.805  -0.323  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.258   0.157  -0.278  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.426   0.896  -0.273  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.655   0.258  -0.100  1.00  0.00           C  
HETATM    8  C   UNL     1       0.951  -0.092  -0.110  1.00  0.00           C  
HETATM    9  C   UNL     1       2.189   0.557  -0.155  1.00  0.00           C  
HETATM   10  C   UNL     1       3.354  -0.173  -0.052  1.00  0.00           C  
HETATM   11  C   UNL     1       4.594   0.477  -0.097  1.00  0.00           C  
HETATM   12  C   UNL     1       5.748  -0.246   0.004  1.00  0.00           C  
HETATM   13  C   UNL     1       6.992   0.407  -0.041  1.00  0.00           C  
HETATM   14  C   UNL     1       8.141  -0.313   0.060  1.00  0.00           C  
HETATM   15  C   UNL     1       9.396   0.345   0.015  1.00  0.00           C  
HETATM   16  C   UNL     1      10.526  -0.363   0.114  1.00  0.00           C  
HETATM   17  C   UNL     1      11.859   0.337   0.066  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.373   2.391  -0.456  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.559   2.219  -0.424  1.00  0.00           C  
HETATM   20  C   UNL     1       3.294  -1.670   0.108  1.00  0.00           C  
HETATM   21  C   UNL     1       8.081  -1.810   0.220  1.00  0.00           C  
HETATM   22  C   UNL     1      12.669  -0.196  -1.118  1.00  0.00           C  
HETATM   23  C   UNL     1      14.106   0.329  -0.999  1.00  0.00           C  
HETATM   24  C   UNL     1      14.758  -0.318   0.225  1.00  0.00           C  
HETATM   25  C   UNL     1      13.859  -0.190   1.419  1.00  0.00           C  
HETATM   26  C   UNL     1      12.597   0.091   1.350  1.00  0.00           C  
HETATM   27  C   UNL     1      -9.929   1.063  -0.094  1.00  0.00           C  
HETATM   28  C   UNL     1     -11.104   0.143   0.109  1.00  0.00           C  
HETATM   29  C   UNL     1     -11.682  -0.538  -1.098  1.00  0.00           C  
HETATM   30  C   UNL     1     -13.081  -1.070  -0.783  1.00  0.00           C  
HETATM   31  C   UNL     1     -13.016  -1.862   0.529  1.00  0.00           C  
HETATM   32  C   UNL     1     -12.720  -0.885   1.670  1.00  0.00           C  
HETATM   33  C   UNL     1     -11.550  -0.016   1.314  1.00  0.00           C  
HETATM   34  C   UNL     1     -10.854   0.723   2.428  1.00  0.00           C  
HETATM   35  C   UNL     1     -11.771   0.464  -2.251  1.00  0.00           C  
HETATM   36  C   UNL     1     -10.776  -1.702  -1.505  1.00  0.00           C  
HETATM   37  C   UNL     1      11.820   0.176   2.638  1.00  0.00           C  
HETATM   38  C   UNL     1      12.673  -1.726  -1.091  1.00  0.00           C  
HETATM   39  C   UNL     1      12.049   0.294  -2.428  1.00  0.00           C  
HETATM   40  C   UNL     1      -1.452  -0.010  -0.168  1.00  0.00           C  
HETATM   41  C   UNL     1      -0.215   0.638  -0.213  1.00  0.00           C  
HETATM   42  O   UNL     1      -7.846   3.033   0.731  1.00  0.00           O  
HETATM   43  O   UNL     1     -14.268  -2.509   0.763  1.00  0.00           O  
HETATM   44  O   UNL     1      16.001   0.332   0.498  1.00  0.00           O  
HETATM   45  H   UNL     1      -3.898  -1.001  -0.116  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.980   1.878  -0.433  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.301  -0.922  -0.248  1.00  0.00           H  
HETATM   48  H   UNL     1       0.908  -1.165   0.005  1.00  0.00           H  
HETATM   49  H   UNL     1       2.232   1.630  -0.269  1.00  0.00           H  
HETATM   50  H   UNL     1       4.637   1.550  -0.212  1.00  0.00           H  
HETATM   51  H   UNL     1       5.705  -1.319   0.119  1.00  0.00           H  
HETATM   52  H   UNL     1       7.035   1.480  -0.155  1.00  0.00           H  
HETATM   53  H   UNL     1       9.439   1.418  -0.100  1.00  0.00           H  
HETATM   54  H   UNL     1      10.482  -1.436   0.229  1.00  0.00           H  
HETATM   55  H   UNL     1      11.701   1.408  -0.057  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.345   2.697  -0.649  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.002   2.677  -1.298  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.563   2.686   0.561  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.646   2.494  -0.953  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.424   2.561  -0.992  1.00  0.00           H  
HETATM   61  H   UNL     1       3.300  -2.141  -0.875  1.00  0.00           H  
HETATM   62  H   UNL     1       4.158  -2.010   0.679  1.00  0.00           H  
HETATM   63  H   UNL     1       2.380  -1.943   0.635  1.00  0.00           H  
HETATM   64  H   UNL     1       8.087  -2.281  -0.763  1.00  0.00           H  
HETATM   65  H   UNL     1       8.945  -2.150   0.791  1.00  0.00           H  
HETATM   66  H   UNL     1       7.167  -2.083   0.748  1.00  0.00           H  
HETATM   67  H   UNL     1      14.667   0.067  -1.895  1.00  0.00           H  
HETATM   68  H   UNL     1      14.091   1.413  -0.879  1.00  0.00           H  
HETATM   69  H   UNL     1      14.940  -1.374   0.021  1.00  0.00           H  
HETATM   70  H   UNL     1      14.291  -0.342   2.397  1.00  0.00           H  
HETATM   71  H   UNL     1      -9.894   1.793   0.715  1.00  0.00           H  
HETATM   72  H   UNL     1     -10.034   1.583  -1.047  1.00  0.00           H  
HETATM   73  H   UNL     1     -13.775  -0.236  -0.673  1.00  0.00           H  
HETATM   74  H   UNL     1     -13.414  -1.724  -1.589  1.00  0.00           H  
HETATM   75  H   UNL     1     -12.223  -2.608   0.468  1.00  0.00           H  
HETATM   76  H   UNL     1     -13.597  -0.262   1.847  1.00  0.00           H  
HETATM   77  H   UNL     1     -12.486  -1.446   2.574  1.00  0.00           H  
HETATM   78  H   UNL     1     -11.322   1.698   2.566  1.00  0.00           H  
HETATM   79  H   UNL     1     -10.933   0.148   3.350  1.00  0.00           H  
HETATM   80  H   UNL     1      -9.803   0.858   2.173  1.00  0.00           H  
HETATM   81  H   UNL     1     -10.774   0.837  -2.485  1.00  0.00           H  
HETATM   82  H   UNL     1     -12.190  -0.029  -3.128  1.00  0.00           H  
HETATM   83  H   UNL     1     -12.412   1.296  -1.961  1.00  0.00           H  
HETATM   84  H   UNL     1     -10.708  -2.414  -0.683  1.00  0.00           H  
HETATM   85  H   UNL     1     -11.194  -2.197  -2.382  1.00  0.00           H  
HETATM   86  H   UNL     1      -9.782  -1.323  -1.742  1.00  0.00           H  
HETATM   87  H   UNL     1      12.486  -0.025   3.478  1.00  0.00           H  
HETATM   88  H   UNL     1      11.396   1.175   2.742  1.00  0.00           H  
HETATM   89  H   UNL     1      11.017  -0.561   2.628  1.00  0.00           H  
HETATM   90  H   UNL     1      11.649  -2.093  -1.159  1.00  0.00           H  
HETATM   91  H   UNL     1      13.250  -2.102  -1.936  1.00  0.00           H  
HETATM   92  H   UNL     1      13.122  -2.072  -0.161  1.00  0.00           H  
HETATM   93  H   UNL     1      12.055   1.384  -2.447  1.00  0.00           H  
HETATM   94  H   UNL     1      12.628  -0.087  -3.269  1.00  0.00           H  
HETATM   95  H   UNL     1      11.023  -0.065  -2.500  1.00  0.00           H  
HETATM   96  H   UNL     1      -1.495  -1.083  -0.053  1.00  0.00           H  
HETATM   97  H   UNL     1      -0.172   1.711  -0.327  1.00  0.00           H  
HETATM   98  H   UNL     1      -7.839   3.999   0.685  1.00  0.00           H  
HETATM   99  H   UNL     1     -14.296  -3.029   1.579  1.00  0.00           H  
HETATM  100  H   UNL     1      16.472  -0.027   1.263  1.00  0.00           H  
CONECT    1    7    7                                                 
CONECT    2   19   40   40    3                                       
CONECT    3    2    4    4   45                                       
CONECT    4    3    3    5   46                                       
CONECT    5    4    6    6   47                                       
CONECT    6   18    5    5    7                                       
CONECT    7    6   27    1    1                                       
CONECT    8    9   41   41   48                                       
CONECT    9   10   10    8   49                                       
CONECT   10   11    9    9   20                                       
CONECT   11   12   12   10   50                                       
CONECT   12   13   11   11   51                                       
CONECT   13   14   14   12   52                                       
CONECT   14   15   21   13   13                                       
CONECT   15   16   16   14   53                                       
CONECT   16   17   15   15   54                                       
CONECT   17   26   22   16   55                                       
CONECT   18   42    6   56   57                                       
CONECT   19    2   58   59   60                                       
CONECT   20   10   61   62   63                                       
CONECT   21   14   64   65   66                                       
CONECT   22   23   17   39   38                                       
CONECT   23   24   22   67   68                                       
CONECT   24   44   25   23   69                                       
CONECT   25   24   26   26   70                                       
CONECT   26   25   25   37   17                                       
CONECT   27    7   28   71   72                                       
CONECT   28   27   33   33   29                                       
CONECT   29   28   35   36   30                                       
CONECT   30   29   31   73   74                                       
CONECT   31   32   30   43   75                                       
CONECT   32   33   31   76   77                                       
CONECT   33   34   28   28   32                                       
CONECT   34   33   78   79   80                                       
CONECT   35   29   81   82   83                                       
CONECT   36   29   84   85   86                                       
CONECT   37   26   87   88   89                                       
CONECT   38   22   90   91   92                                       
CONECT   39   22   93   94   95                                       
CONECT   40   41    2    2   96                                       
CONECT   41    8    8   40   97                                       
CONECT   42   18   98                                                 
CONECT   43   31   99                                                 
CONECT   44   24  100                                                 
CONECT   45    3                                                      
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   15                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   18                                                      
CONECT   57   18                                                      
CONECT   58   19                                                      
CONECT   59   19                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   20                                                      
CONECT   63   20                                                      
CONECT   64   21                                                      
CONECT   65   21                                                      
CONECT   66   21                                                      
CONECT   67   23                                                      
CONECT   68   23                                                      
CONECT   69   24                                                      
CONECT   70   25                                                      
CONECT   71   27                                                      
CONECT   72   27                                                      
CONECT   73   30                                                      
CONECT   74   30                                                      
CONECT   75   31                                                      
CONECT   76   32                                                      
CONECT   77   32                                                      
CONECT   78   34                                                      
CONECT   79   34                                                      
CONECT   80   34                                                      
CONECT   81   35                                                      
CONECT   82   35                                                      
CONECT   83   35                                                      
CONECT   84   36                                                      
CONECT   85   36                                                      
CONECT   86   36                                                      
CONECT   87   37                                                      
CONECT   88   37                                                      
CONECT   89   37                                                      
CONECT   90   38                                                      
CONECT   91   38                                                      
CONECT   92   38                                                      
CONECT   93   39                                                      
CONECT   94   39                                                      
CONECT   95   39                                                      
CONECT   96   40                                                      
CONECT   97   41                                                      
CONECT   98   42                                                      
CONECT   99   43                                                      
CONECT  100   44                                                      
MASTER        0    0    0    0    0    0    0    0  100    0  100    0
END
