COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1       2.482   2.360   1.447  1.00  0.00           C  
HETATM    2  C   UNL     1       2.559   1.316   0.363  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.978   1.846  -0.753  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.110   1.436  -1.384  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.032   0.392  -2.468  1.00  0.00           C  
HETATM    6  C   UNL     1      -9.364   1.989  -1.021  1.00  0.00           C  
HETATM    7  C   UNL     1     -10.287   1.224  -0.432  1.00  0.00           C  
HETATM    8  C   UNL     1      -9.937  -0.173   0.012  1.00  0.00           C  
HETATM    9  C   UNL     1     -10.926  -1.262  -0.398  1.00  0.00           C  
HETATM   10  C   UNL     1     -11.319  -2.101   0.818  1.00  0.00           C  
HETATM   11  C   UNL     1     -10.042  -2.636   1.476  1.00  0.00           C  
HETATM   12  C   UNL     1      -9.357  -1.488   2.218  1.00  0.00           C  
HETATM   13  C   UNL     1       1.412   0.900  -0.276  1.00  0.00           C  
HETATM   14  C   UNL     1      -9.107  -0.320   1.278  1.00  0.00           C  
HETATM   15  C   UNL     1      -8.685   0.980   1.965  1.00  0.00           C  
HETATM   16  C   UNL     1     -10.278  -2.167  -1.447  1.00  0.00           C  
HETATM   17  C   UNL     1     -12.178  -0.613  -0.991  1.00  0.00           C  
HETATM   18  C   UNL     1       3.797   0.769   0.006  1.00  0.00           C  
HETATM   19  C   UNL     1       4.944   1.185   0.644  1.00  0.00           C  
HETATM   20  C   UNL     1       6.184   0.637   0.286  1.00  0.00           C  
HETATM   21  C   UNL     1       7.321   1.050   0.919  1.00  0.00           C  
HETATM   22  C   UNL     1       7.243   2.094   2.003  1.00  0.00           C  
HETATM   23  C   UNL     1       8.587   0.490   0.553  1.00  0.00           C  
HETATM   24  C   UNL     1       0.174   1.447   0.082  1.00  0.00           C  
HETATM   25  C   UNL     1       9.625   0.032   0.253  1.00  0.00           C  
HETATM   26  C   UNL     1      10.892  -0.528  -0.113  1.00  0.00           C  
HETATM   27  C   UNL     1      12.115  -0.044   0.610  1.00  0.00           C  
HETATM   28  C   UNL     1      13.373  -0.415  -0.178  1.00  0.00           C  
HETATM   29  C   UNL     1      13.301  -1.903  -0.540  1.00  0.00           C  
HETATM   30  C   UNL     1      12.174  -2.103  -1.555  1.00  0.00           C  
HETATM   31  C   UNL     1      10.917  -1.445  -1.065  1.00  0.00           C  
HETATM   32  C   UNL     1       9.611  -1.846  -1.701  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.974   1.030  -0.557  1.00  0.00           C  
HETATM   34  C   UNL     1      12.177  -0.695   1.993  1.00  0.00           C  
HETATM   35  C   UNL     1      12.044   1.476   0.767  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.212   1.577  -0.199  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.358   1.161  -0.838  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.281   0.117  -1.922  1.00  0.00           C  
HETATM   39  C   UNL     1      -4.598   1.709  -0.479  1.00  0.00           C  
HETATM   40  C   UNL     1      -5.735   1.297  -1.113  1.00  0.00           C  
HETATM   41  O   UNL     1      -8.550  -0.547  -0.010  1.00  0.00           O  
HETATM   42  O   UNL     1     -10.376  -3.675   2.398  1.00  0.00           O  
HETATM   43  O   UNL     1      14.543  -2.318  -1.113  1.00  0.00           O  
HETATM   44  H   UNL     1       2.587   3.351   1.006  1.00  0.00           H  
HETATM   45  H   UNL     1       1.519   2.288   1.953  1.00  0.00           H  
HETATM   46  H   UNL     1       3.284   2.197   2.167  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.034   2.594   0.024  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.059  -0.601  -2.019  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.879   0.507  -3.144  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.103   0.514  -3.024  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.573   3.030  -1.222  1.00  0.00           H  
HETATM   52  H   UNL     1     -11.285   1.606  -0.274  1.00  0.00           H  
HETATM   53  H   UNL     1     -11.865  -1.481   1.530  1.00  0.00           H  
HETATM   54  H   UNL     1     -11.946  -2.934   0.501  1.00  0.00           H  
HETATM   55  H   UNL     1      -9.372  -3.028   0.711  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.994  -1.159   3.039  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.405  -1.837   2.619  1.00  0.00           H  
HETATM   58  H   UNL     1       1.467   0.152  -1.053  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.073   0.748   2.837  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.109   1.589   1.268  1.00  0.00           H  
HETATM   61  H   UNL     1      -9.573   1.529   2.280  1.00  0.00           H  
HETATM   62  H   UNL     1      -9.398  -2.647  -1.020  1.00  0.00           H  
HETATM   63  H   UNL     1     -10.992  -2.930  -1.760  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.983  -1.570  -2.310  1.00  0.00           H  
HETATM   65  H   UNL     1     -11.901  -0.024  -1.866  1.00  0.00           H  
HETATM   66  H   UNL     1     -12.885  -1.388  -1.284  1.00  0.00           H  
HETATM   67  H   UNL     1     -12.638   0.037  -0.247  1.00  0.00           H  
HETATM   68  H   UNL     1       3.853   0.021  -0.771  1.00  0.00           H  
HETATM   69  H   UNL     1       4.889   1.933   1.421  1.00  0.00           H  
HETATM   70  H   UNL     1       6.240  -0.111  -0.491  1.00  0.00           H  
HETATM   71  H   UNL     1       7.348   3.085   1.561  1.00  0.00           H  
HETATM   72  H   UNL     1       6.280   2.021   2.509  1.00  0.00           H  
HETATM   73  H   UNL     1       8.045   1.930   2.723  1.00  0.00           H  
HETATM   74  H   UNL     1       0.119   2.195   0.859  1.00  0.00           H  
HETATM   75  H   UNL     1      13.423   0.182  -1.089  1.00  0.00           H  
HETATM   76  H   UNL     1      14.256  -0.226   0.432  1.00  0.00           H  
HETATM   77  H   UNL     1      13.094  -2.488   0.356  1.00  0.00           H  
HETATM   78  H   UNL     1      12.466  -1.665  -2.510  1.00  0.00           H  
HETATM   79  H   UNL     1      11.993  -3.169  -1.689  1.00  0.00           H  
HETATM   80  H   UNL     1       9.795  -2.600  -2.466  1.00  0.00           H  
HETATM   81  H   UNL     1       8.947  -2.257  -0.939  1.00  0.00           H  
HETATM   82  H   UNL     1       9.144  -0.973  -2.156  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.918   0.282  -1.334  1.00  0.00           H  
HETATM   84  H   UNL     1      12.223  -1.778   1.884  1.00  0.00           H  
HETATM   85  H   UNL     1      13.065  -0.345   2.520  1.00  0.00           H  
HETATM   86  H   UNL     1      11.287  -0.424   2.562  1.00  0.00           H  
HETATM   87  H   UNL     1      11.154   1.741   1.338  1.00  0.00           H  
HETATM   88  H   UNL     1      12.932   1.829   1.292  1.00  0.00           H  
HETATM   89  H   UNL     1      11.995   1.941  -0.218  1.00  0.00           H  
HETATM   90  H   UNL     1      -2.267   2.326   0.578  1.00  0.00           H  
HETATM   91  H   UNL     1      -3.386  -0.873  -1.480  1.00  0.00           H  
HETATM   92  H   UNL     1      -4.083   0.281  -2.642  1.00  0.00           H  
HETATM   93  H   UNL     1      -2.318   0.190  -2.428  1.00  0.00           H  
HETATM   94  H   UNL     1      -4.654   2.457   0.297  1.00  0.00           H  
HETATM   95  H   UNL     1      -5.679   0.549  -1.890  1.00  0.00           H  
HETATM   96  H   UNL     1      -9.614  -4.060   2.852  1.00  0.00           H  
HETATM   97  H   UNL     1      14.567  -3.251  -1.366  1.00  0.00           H  
CONECT    1    2   44   45   46                                       
CONECT    2    1   18   13   13                                       
CONECT    3   40    4    4   47                                       
CONECT    4    6    3    3    5                                       
CONECT    5    4   48   49   50                                       
CONECT    6    7    7    4   51                                       
CONECT    7    6    6    8   52                                       
CONECT    8   14    7   41    9                                       
CONECT    9    8   10   17   16                                       
CONECT   10   11    9   53   54                                       
CONECT   11   12   42   10   55                                       
CONECT   12   14   11   56   57                                       
CONECT   13    2    2   24   58                                       
CONECT   14   15   12    8   41                                       
CONECT   15   14   59   60   61                                       
CONECT   16    9   62   63   64                                       
CONECT   17    9   65   66   67                                       
CONECT   18   19   19    2   68                                       
CONECT   19   20   18   18   69                                       
CONECT   20   21   21   19   70                                       
CONECT   21   22   23   20   20                                       
CONECT   22   21   71   72   73                                       
CONECT   23   25   25   25   21                                       
CONECT   24   13   33   33   74                                       
CONECT   25   26   23   23   23                                       
CONECT   26   31   31   27   25                                       
CONECT   27   28   26   35   34                                       
CONECT   28   29   27   75   76                                       
CONECT   29   43   28   30   77                                       
CONECT   30   29   31   78   79                                       
CONECT   31   30   26   26   32                                       
CONECT   32   31   80   81   82                                       
CONECT   33   24   24   36   83                                       
CONECT   34   27   84   85   86                                       
CONECT   35   27   87   88   89                                       
CONECT   36   33   37   37   90                                       
CONECT   37   36   36   39   38                                       
CONECT   38   37   91   92   93                                       
CONECT   39   37   40   40   94                                       
CONECT   40   39   39    3   95                                       
CONECT   41   14    8                                                 
CONECT   42   11   96                                                 
CONECT   43   29   97                                                 
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    3                                                      
CONECT   48    5                                                      
CONECT   49    5                                                      
CONECT   50    5                                                      
CONECT   51    6                                                      
CONECT   52    7                                                      
CONECT   53   10                                                      
CONECT   54   10                                                      
CONECT   55   11                                                      
CONECT   56   12                                                      
CONECT   57   12                                                      
CONECT   58   13                                                      
CONECT   59   15                                                      
CONECT   60   15                                                      
CONECT   61   15                                                      
CONECT   62   16                                                      
CONECT   63   16                                                      
CONECT   64   16                                                      
CONECT   65   17                                                      
CONECT   66   17                                                      
CONECT   67   17                                                      
CONECT   68   18                                                      
CONECT   69   19                                                      
CONECT   70   20                                                      
CONECT   71   22                                                      
CONECT   72   22                                                      
CONECT   73   22                                                      
CONECT   74   24                                                      
CONECT   75   28                                                      
CONECT   76   28                                                      
CONECT   77   29                                                      
CONECT   78   30                                                      
CONECT   79   30                                                      
CONECT   80   32                                                      
CONECT   81   32                                                      
CONECT   82   32                                                      
CONECT   83   33                                                      
CONECT   84   34                                                      
CONECT   85   34                                                      
CONECT   86   34                                                      
CONECT   87   35                                                      
CONECT   88   35                                                      
CONECT   89   35                                                      
CONECT   90   36                                                      
CONECT   91   38                                                      
CONECT   92   38                                                      
CONECT   93   38                                                      
CONECT   94   39                                                      
CONECT   95   40                                                      
CONECT   96   42                                                      
CONECT   97   43                                                      
MASTER        0    0    0    0    0    0    0    0   97    0   97    0
END
