COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.371   1.411  -0.416  1.00  0.00           C  
HETATM    2  C   UNL     1      -8.348   0.161  -0.838  1.00  0.00           C  
HETATM    3  C   UNL     1      -9.355  -0.300  -1.673  1.00  0.00           C  
HETATM    4  C   UNL     1     -10.289  -1.200  -1.197  1.00  0.00           C  
HETATM    5  C   UNL     1     -10.220  -1.642   0.111  1.00  0.00           C  
HETATM    6  C   UNL     1      -9.217  -1.185   0.946  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.698   2.111   0.191  1.00  0.00           N  
HETATM    8  C   UNL     1      -4.705   3.181   0.160  1.00  0.00           C  
HETATM    9  C   UNL     1       0.011   1.851  -0.287  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.398   2.384  -0.035  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.378   1.276   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.046   0.726  -0.252  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.256   0.366  -0.503  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.136   0.737   0.474  1.00  0.00           C  
HETATM   15  C   UNL     1       2.448   1.317  -0.415  1.00  0.00           C  
HETATM   16  C   UNL     1       2.727   2.352   0.704  1.00  0.00           C  
HETATM   17  C   UNL     1       4.003   1.864   1.444  1.00  0.00           C  
HETATM   18  C   UNL     1       6.845   0.636   1.625  1.00  0.00           C  
HETATM   19  C   UNL     1       9.577  -1.090  -1.258  1.00  0.00           C  
HETATM   20  C   UNL     1       7.171  -1.904   0.201  1.00  0.00           C  
HETATM   21  C   UNL     1       6.456  -2.844   1.175  1.00  0.00           C  
HETATM   22  C   UNL     1       6.194  -0.835  -0.287  1.00  0.00           C  
HETATM   23  C   UNL     1       5.056  -1.484  -1.068  1.00  0.00           C  
HETATM   24  C   UNL     1       4.004  -0.446  -1.493  1.00  0.00           C  
HETATM   25  C   UNL     1       3.504   0.232  -0.233  1.00  0.00           C  
HETATM   26  C   UNL     1       0.772  -0.257  -1.392  1.00  0.00           C  
HETATM   27  O   UNL     1      -2.049   3.522  -0.267  1.00  0.00           O  
HETATM   28  C   UNL     1      -5.818   2.782  -0.813  1.00  0.00           C  
HETATM   29  O   UNL     1      -7.432   1.050  -1.302  1.00  0.00           O  
HETATM   30  B   UNL     1     -11.273  -2.655   0.645  1.00  0.00           B  
HETATM   31  O   UNL     1     -10.828  -3.930   0.431  1.00  0.00           O  
HETATM   32  O   UNL     1     -11.459  -2.457   1.984  1.00  0.00           O  
HETATM   33  C   UNL     1      -8.281  -0.285   0.474  1.00  0.00           C  
HETATM   34  C   UNL     1       4.702   1.001   0.388  1.00  0.00           C  
HETATM   35  C   UNL     1       5.669  -0.041   0.919  1.00  0.00           C  
HETATM   36  O   UNL     1       6.364   1.383   2.743  1.00  0.00           O  
HETATM   37  C   UNL     1       7.830  -0.431   2.109  1.00  0.00           C  
HETATM   38  C   UNL     1       8.347  -1.231   0.912  1.00  0.00           C  
HETATM   39  C   UNL     1       9.058  -0.289  -0.062  1.00  0.00           C  
HETATM   40  O   UNL     1      10.241  -0.210  -2.167  1.00  0.00           O  
HETATM   41  C   UNL     1       8.402  -1.765  -1.968  1.00  0.00           C  
HETATM   42  C   UNL     1       7.690  -2.706  -0.994  1.00  0.00           C  
HETATM   43  C   UNL     1       2.998  -0.821   0.755  1.00  0.00           C  
HETATM   44  H   UNL     1      -6.749   1.454   0.605  1.00  0.00           H  
HETATM   45  H   UNL     1      -9.410   0.046  -2.695  1.00  0.00           H  
HETATM   46  H   UNL     1     -11.073  -1.558  -1.847  1.00  0.00           H  
HETATM   47  H   UNL     1      -9.166  -1.531   1.967  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.122   3.318   1.157  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.241   4.109  -0.176  1.00  0.00           H  
HETATM   50  H   UNL     1       0.014   2.317  -1.273  1.00  0.00           H  
HETATM   51  H   UNL     1       0.258   2.597   0.468  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.625   0.530  -0.755  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.381   0.810   0.985  1.00  0.00           H  
HETATM   54  H   UNL     1       0.982   0.203   0.703  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.656  -0.614  -0.242  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.860   0.339  -1.518  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.298   0.053   0.346  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.508   0.675   1.497  1.00  0.00           H  
HETATM   59  H   UNL     1       2.549   1.782  -1.395  1.00  0.00           H  
HETATM   60  H   UNL     1       2.901   3.336   0.268  1.00  0.00           H  
HETATM   61  H   UNL     1       1.886   2.392   1.395  1.00  0.00           H  
HETATM   62  H   UNL     1       4.630   2.708   1.729  1.00  0.00           H  
HETATM   63  H   UNL     1       3.738   1.267   2.316  1.00  0.00           H  
HETATM   64  H   UNL     1       7.350   1.306   0.929  1.00  0.00           H  
HETATM   65  H   UNL     1      10.277  -1.850  -0.911  1.00  0.00           H  
HETATM   66  H   UNL     1       7.154  -3.605   1.523  1.00  0.00           H  
HETATM   67  H   UNL     1       6.087  -2.273   2.026  1.00  0.00           H  
HETATM   68  H   UNL     1       5.619  -3.324   0.668  1.00  0.00           H  
HETATM   69  H   UNL     1       6.725  -0.146  -0.945  1.00  0.00           H  
HETATM   70  H   UNL     1       5.463  -1.964  -1.958  1.00  0.00           H  
HETATM   71  H   UNL     1       4.579  -2.238  -0.442  1.00  0.00           H  
HETATM   72  H   UNL     1       4.457   0.291  -2.156  1.00  0.00           H  
HETATM   73  H   UNL     1       3.177  -0.943  -2.001  1.00  0.00           H  
HETATM   74  H   UNL     1       1.454  -1.104  -1.314  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.257  -0.612  -1.326  1.00  0.00           H  
HETATM   76  H   UNL     1       0.922   0.244  -2.348  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.417   2.733  -1.825  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.618   3.522  -0.774  1.00  0.00           H  
HETATM   79  H   UNL     1     -11.436  -4.616   0.740  1.00  0.00           H  
HETATM   80  H   UNL     1     -10.658  -2.572   2.514  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.498   0.072   1.127  1.00  0.00           H  
HETATM   82  H   UNL     1       5.193   1.631  -0.354  1.00  0.00           H  
HETATM   83  H   UNL     1       5.153  -0.701   1.616  1.00  0.00           H  
HETATM   84  H   UNL     1       7.058   1.840   3.239  1.00  0.00           H  
HETATM   85  H   UNL     1       8.668   0.051   2.613  1.00  0.00           H  
HETATM   86  H   UNL     1       7.325  -1.102   2.804  1.00  0.00           H  
HETATM   87  H   UNL     1       9.047  -1.992   1.259  1.00  0.00           H  
HETATM   88  H   UNL     1       9.896   0.191   0.444  1.00  0.00           H  
HETATM   89  H   UNL     1       8.358   0.470  -0.409  1.00  0.00           H  
HETATM   90  H   UNL     1      10.597  -0.651  -2.952  1.00  0.00           H  
HETATM   91  H   UNL     1       7.702  -1.005  -2.316  1.00  0.00           H  
HETATM   92  H   UNL     1       8.771  -2.336  -2.820  1.00  0.00           H  
HETATM   93  H   UNL     1       8.389  -3.466  -0.646  1.00  0.00           H  
HETATM   94  H   UNL     1       6.853  -3.187  -1.500  1.00  0.00           H  
HETATM   95  H   UNL     1       2.148  -1.347   0.322  1.00  0.00           H  
HETATM   96  H   UNL     1       3.796  -1.533   0.967  1.00  0.00           H  
HETATM   97  H   UNL     1       2.691  -0.334   1.680  1.00  0.00           H  
HETATM   98  H   UNL     1     -12.322  -2.491   0.064  1.00  0.00           H  
CONECT    1   13   29   28   44                                       
CONECT    2   29   33   33    3                                       
CONECT    3    2    4    4   45                                       
CONECT    4    3    3    5   46                                       
CONECT    5    6    6    4   30                                       
CONECT    6   33    5    5   47                                       
CONECT    7   10   14    8                                            
CONECT    8    7   28   48   49                                       
CONECT    9   11   12   50   51                                       
CONECT   10   27   27    7   11                                       
CONECT   11   10    9   52   53                                       
CONECT   12    9   15   26   54                                       
CONECT   13   14    1   55   56                                       
CONECT   14   13    7   57   58                                       
CONECT   15   16   12   25   59                                       
CONECT   16   17   15   60   61                                       
CONECT   17   16   34   62   63                                       
CONECT   18   36   35   37   64                                       
CONECT   19   39   40   41   65                                       
CONECT   20   22   38   21   42                                       
CONECT   21   20   66   67   68                                       
CONECT   22   35   20   23   69                                       
CONECT   23   24   22   70   71                                       
CONECT   24   25   23   72   73                                       
CONECT   25   15   34   43   24                                       
CONECT   26   12   74   75   76                                       
CONECT   27   10   10                                                 
CONECT   28    8    1   77   78                                       
CONECT   29    1    2                                                 
CONECT   30    5   32   31   98                                       
CONECT   31   30   79                                                 
CONECT   32   30   80                                                 
CONECT   33    2    2    6   81                                       
CONECT   34   17   35   25   82                                       
CONECT   35   18   34   22   83                                       
CONECT   36   18   84                                                 
CONECT   37   18   38   85   86                                       
CONECT   38   37   39   20   87                                       
CONECT   39   38   19   88   89                                       
CONECT   40   19   90                                                 
CONECT   41   19   42   91   92                                       
CONECT   42   20   41   93   94                                       
CONECT   43   25   95   96   97                                       
CONECT   44    1                                                      
CONECT   45    3                                                      
CONECT   46    4                                                      
CONECT   47    6                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51    9                                                      
CONECT   52   11                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   21                                                      
CONECT   67   21                                                      
CONECT   68   21                                                      
CONECT   69   22                                                      
CONECT   70   23                                                      
CONECT   71   23                                                      
CONECT   72   24                                                      
CONECT   73   24                                                      
CONECT   74   26                                                      
CONECT   75   26                                                      
CONECT   76   26                                                      
CONECT   77   28                                                      
CONECT   78   28                                                      
CONECT   79   31                                                      
CONECT   80   32                                                      
CONECT   81   33                                                      
CONECT   82   34                                                      
CONECT   83   35                                                      
CONECT   84   36                                                      
CONECT   85   37                                                      
CONECT   86   37                                                      
CONECT   87   38                                                      
CONECT   88   39                                                      
CONECT   89   39                                                      
CONECT   90   40                                                      
CONECT   91   41                                                      
CONECT   92   41                                                      
CONECT   93   42                                                      
CONECT   94   42                                                      
CONECT   95   43                                                      
CONECT   96   43                                                      
CONECT   97   43                                                      
CONECT   98   30                                                      
MASTER        0    0    0    0    0    0    0    0   98    0   98    0
END
