COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.068   3.316   0.465  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.253  -1.218  -3.059  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.556   4.315  -2.063  1.00  0.00           C  
HETATM    4  C   UNL     1       0.641  -5.423   1.265  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.897   1.382  -1.755  1.00  0.00           C  
HETATM    6  C   UNL     1       5.158  -3.415  -0.693  1.00  0.00           C  
HETATM    7  C   UNL     1       1.466   1.208  -0.921  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.414   3.862   0.545  1.00  0.00           C  
HETATM    9  N   UNL     1      -7.803  -1.040   1.004  1.00  0.00           N  
HETATM   10  O   UNL     1      -5.926  -0.330   1.955  1.00  0.00           O  
HETATM   11  O   UNL     1       0.769  -2.369  -0.809  1.00  0.00           O  
HETATM   12  O   UNL     1       6.284  -0.817  -0.627  1.00  0.00           O  
HETATM   13  O   UNL     1       1.472  -1.137   1.414  1.00  0.00           O  
HETATM   14  O   UNL     1      -1.958   3.071   2.013  1.00  0.00           O  
HETATM   15  C   UNL     1       6.950   3.037  -0.157  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.746  -2.997  -0.500  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.171  -4.096   0.264  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.042  -2.685  -0.365  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.443   1.603   0.215  1.00  0.00           C  
HETATM   20  C   UNL     1       6.468   1.612  -0.239  1.00  0.00           C  
HETATM   21  C   UNL     1       2.501   1.439   1.356  1.00  0.00           C  
HETATM   22  C   UNL     1       0.227   2.350   0.936  1.00  0.00           C  
HETATM   23  N   UNL     1       5.106   1.525   0.291  1.00  0.00           N  
HETATM   24  N   UNL     1       2.448  -3.428   0.184  1.00  0.00           N  
HETATM   25  O   UNL     1      -2.567  -0.777  -1.737  1.00  0.00           O  
HETATM   26  O   UNL     1      -0.068   4.069  -0.743  1.00  0.00           O  
HETATM   27  O   UNL     1      -5.793  -0.936  -0.176  1.00  0.00           O  
HETATM   28  C   UNL     1      -6.487  -0.753   0.963  1.00  0.00           C  
HETATM   29  C   UNL     1       0.157  -4.241   0.456  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.198   0.844  -0.536  1.00  0.00           C  
HETATM   31  C   UNL     1       1.121  -3.292  -0.088  1.00  0.00           C  
HETATM   32  C   UNL     1       4.451  -2.184  -0.181  1.00  0.00           C  
HETATM   33  C   UNL     1       3.200   0.221   0.817  1.00  0.00           C  
HETATM   34  C   UNL     1       4.455   0.315   0.319  1.00  0.00           C  
HETATM   35  C   UNL     1       3.179  -2.246   0.258  1.00  0.00           C  
HETATM   36  C   UNL     1       5.151  -0.896  -0.194  1.00  0.00           C  
HETATM   37  C   UNL     1       2.549  -1.038   0.859  1.00  0.00           C  
HETATM   38  C   UNL     1       1.602   2.095   0.312  1.00  0.00           C  
HETATM   39  C   UNL     1      -3.236   3.070  -0.036  1.00  0.00           C  
HETATM   40  C   UNL     1      -3.622  -1.512  -1.114  1.00  0.00           C  
HETATM   41  C   UNL     1      -0.725   2.990  -0.071  1.00  0.00           C  
HETATM   42  C   UNL     1      -1.952   3.534   0.662  1.00  0.00           C  
HETATM   43  C   UNL     1      -4.380  -0.606  -0.147  1.00  0.00           C  
HETATM   44  H   UNL     1       8.646   2.525   0.919  1.00  0.00           H  
HETATM   45  H   UNL     1       8.415   4.338   0.520  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.943  -2.262  -3.030  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.133  -1.117  -3.694  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.443  -0.610  -3.462  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.629   4.499  -2.025  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.052   5.188  -2.479  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.357   3.447  -2.691  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.215  -6.015   1.590  1.00  0.00           H  
HETATM   53  H   UNL     1       1.297  -6.040   0.651  1.00  0.00           H  
HETATM   54  H   UNL     1       1.189  -5.066   2.137  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.663   2.440  -1.870  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.560   0.837  -2.637  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.973   1.258  -1.640  1.00  0.00           H  
HETATM   58  H   UNL     1       4.991  -3.510  -1.765  1.00  0.00           H  
HETATM   59  H   UNL     1       6.227  -3.327  -0.498  1.00  0.00           H  
HETATM   60  H   UNL     1       4.767  -4.296  -0.184  1.00  0.00           H  
HETATM   61  H   UNL     1       0.871   1.723  -1.676  1.00  0.00           H  
HETATM   62  H   UNL     1       2.456   0.993  -1.324  1.00  0.00           H  
HETATM   63  H   UNL     1       0.975   0.275  -0.645  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.477   3.683   1.619  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.262   4.925   0.362  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.339   3.539   0.068  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.303  -0.909   1.825  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.251  -1.378   0.212  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.703   3.395   2.537  1.00  0.00           H  
HETATM   70  H   UNL     1       6.372   3.829  -0.611  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.134  -2.401  -1.159  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.841  -4.837   0.697  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.667  -3.288   0.284  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.954   1.145   1.071  1.00  0.00           H  
HETATM   75  H   UNL     1       6.475   1.285  -1.279  1.00  0.00           H  
HETATM   76  H   UNL     1       7.128   0.971   0.347  1.00  0.00           H  
HETATM   77  H   UNL     1       1.890   1.147   2.218  1.00  0.00           H  
HETATM   78  H   UNL     1       3.236   2.168   1.704  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.191   1.404   1.286  1.00  0.00           H  
HETATM   80  H   UNL     1       0.353   3.021   1.791  1.00  0.00           H  
HETATM   81  H   UNL     1       4.663   2.322   0.623  1.00  0.00           H  
HETATM   82  H   UNL     1       2.857  -4.283   0.358  1.00  0.00           H  
HETATM   83  H   UNL     1       2.043   3.054   0.018  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.151   3.276  -1.100  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.050   2.251  -0.803  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.921   4.626   0.658  1.00  0.00           H  
HETATM   87  H   UNL     1      -4.303  -1.880  -1.881  1.00  0.00           H  
HETATM   88  H   UNL     1      -3.995  -0.750   0.862  1.00  0.00           H  
CONECT    1   15   15   44   45                                       
CONECT    2   25   46   47   48                                       
CONECT    3   26   49   50   51                                       
CONECT    4   29   52   53   54                                       
CONECT    5   30   55   56   57                                       
CONECT    6   32   58   59   60                                       
CONECT    7   38   61   62   63                                       
CONECT    8   39   64   65   66                                       
CONECT    9   28   67   68                                            
CONECT   10   28   28                                                 
CONECT   11   31   31                                                 
CONECT   12   36   36                                                 
CONECT   13   37   37                                                 
CONECT   14   42   69                                                 
CONECT   15   20    1    1   70                                       
CONECT   16   18   18   17   71                                       
CONECT   17   16   29   29   72                                       
CONECT   18   40   16   16   73                                       
CONECT   19   39   30   30   74                                       
CONECT   20   15   23   75   76                                       
CONECT   21   38   33   77   78                                       
CONECT   22   41   38   79   80                                       
CONECT   23   20   34   81                                            
CONECT   24   35   31   82                                            
CONECT   25   40    2                                                 
CONECT   26    3   41                                                 
CONECT   27   28   43                                                 
CONECT   28    9   10   10   27                                       
CONECT   29   17   17   31    4                                       
CONECT   30   19   19    5   43                                       
CONECT   31   24   29   11   11                                       
CONECT   32   36    6   35   35                                       
CONECT   33   34   34   21   37                                       
CONECT   34   23   36   33   33                                       
CONECT   35   32   32   37   24                                       
CONECT   36   12   12   34   32                                       
CONECT   37   33   35   13   13                                       
CONECT   38   22   21    7   83                                       
CONECT   39    8   42   19   84                                       
CONECT   40   43   18   25   87                                       
CONECT   41   42   26   22   85                                       
CONECT   42   14   39   41   86                                       
CONECT   43   30   27   40   88                                       
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    2                                                      
CONECT   47    2                                                      
CONECT   48    2                                                      
CONECT   49    3                                                      
CONECT   50    3                                                      
CONECT   51    3                                                      
CONECT   52    4                                                      
CONECT   53    4                                                      
CONECT   54    4                                                      
CONECT   55    5                                                      
CONECT   56    5                                                      
CONECT   57    5                                                      
CONECT   58    6                                                      
CONECT   59    6                                                      
CONECT   60    6                                                      
CONECT   61    7                                                      
CONECT   62    7                                                      
CONECT   63    7                                                      
CONECT   64    8                                                      
CONECT   65    8                                                      
CONECT   66    8                                                      
CONECT   67    9                                                      
CONECT   68    9                                                      
CONECT   69   14                                                      
CONECT   70   15                                                      
CONECT   71   16                                                      
CONECT   72   17                                                      
CONECT   73   18                                                      
CONECT   74   19                                                      
CONECT   75   20                                                      
CONECT   76   20                                                      
CONECT   77   21                                                      
CONECT   78   21                                                      
CONECT   79   22                                                      
CONECT   80   22                                                      
CONECT   81   23                                                      
CONECT   82   24                                                      
CONECT   83   38                                                      
CONECT   84   39                                                      
CONECT   85   41                                                      
CONECT   86   42                                                      
CONECT   87   40                                                      
CONECT   88   43                                                      
MASTER        0    0    0    0    0    0    0    0   88    0   88    0
END
