COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      13.962   5.483  -0.299  1.00  0.00           O  
HETATM    2  C   UNL     1      -1.385  -1.555   0.122  1.00  0.00           C  
HETATM    3  O   UNL     1      -0.960   0.139  -1.496  1.00  0.00           O  
HETATM    4  C   UNL     1      -1.691  -0.326  -0.449  1.00  0.00           C  
HETATM    5  O   UNL     1      -2.519   2.798   0.280  1.00  0.00           O  
HETATM    6  C   UNL     1      -2.740   0.424   0.050  1.00  0.00           C  
HETATM    7  O   UNL     1      -4.182   1.612  -2.980  1.00  0.00           O  
HETATM    8  C   UNL     1      -3.072   1.768  -0.543  1.00  0.00           C  
HETATM    9  O   UNL     1      -8.646   0.817  -1.301  1.00  0.00           O  
HETATM   10  C   UNL     1      -4.591   1.950  -0.631  1.00  0.00           C  
HETATM   11  O   UNL     1      -7.999   0.494   2.300  1.00  0.00           O  
HETATM   12  C   UNL     1      -5.180   2.002  -2.034  1.00  0.00           C  
HETATM   13  O   UNL     1      -6.707  -0.554   0.212  1.00  0.00           O  
HETATM   14  C   UNL     1      -6.379   1.059  -2.148  1.00  0.00           C  
HETATM   15  O   UNL     1      -4.885   0.831   2.806  1.00  0.00           O  
HETATM   16  C   UNL     1      -7.374   1.410  -1.031  1.00  0.00           C  
HETATM   17  O   UNL     1      -5.182   2.833   0.338  1.00  0.00           O  
HETATM   18  C   UNL     1      -7.506   2.932  -0.955  1.00  0.00           C  
HETATM   19  C   UNL     1      -8.253   3.357   0.273  1.00  0.00           C  
HETATM   20  C   UNL     1      -8.914   4.711   0.275  1.00  0.00           C  
HETATM   21  C   UNL     1      -8.363   2.600   1.357  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.749   1.269   1.400  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.807   0.869   0.287  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.429   1.452   0.549  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.621   0.740   1.626  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.488  -0.072   1.126  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.172  -1.301   1.698  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.122  -2.040   1.187  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.244  -2.371  -0.429  1.00  0.00           C  
HETATM   30  O   UNL     1      -0.459  -3.752  -0.132  1.00  0.00           O  
HETATM   31  C   UNL     1       1.068  -1.911   0.212  1.00  0.00           C  
HETATM   32  O   UNL     1       2.946  -5.096  -0.556  1.00  0.00           O  
HETATM   33  C   UNL     1       2.214  -2.785  -0.308  1.00  0.00           C  
HETATM   34  O   UNL     1       2.572  -6.543   1.073  1.00  0.00           O  
HETATM   35  C   UNL     1       1.902  -4.253  -0.003  1.00  0.00           C  
HETATM   36  O   UNL     1       3.432  -2.411   0.340  1.00  0.00           O  
HETATM   37  C   UNL     1       0.557  -4.622  -0.635  1.00  0.00           C  
HETATM   38  C   UNL     1       0.209  -6.070  -0.284  1.00  0.00           C  
HETATM   39  C   UNL     1       3.201  -6.249   0.084  1.00  0.00           C  
HETATM   40  C   UNL     1       4.272  -7.176  -0.432  1.00  0.00           C  
HETATM   41  C   UNL     1       4.170  -1.449  -0.252  1.00  0.00           C  
HETATM   42  O   UNL     1       3.790  -0.942  -1.291  1.00  0.00           O  
HETATM   43  C   UNL     1       5.390  -1.028   0.336  1.00  0.00           C  
HETATM   44  O   UNL     1      13.605   4.015   1.331  1.00  0.00           O  
HETATM   45  C   UNL     1       6.133  -0.060  -0.260  1.00  0.00           C  
HETATM   46  C   UNL     1       7.346   0.357   0.325  1.00  0.00           C  
HETATM   47  C   UNL     1       8.091   1.327  -0.272  1.00  0.00           C  
HETATM   48  C   UNL     1       9.303   1.745   0.312  1.00  0.00           C  
HETATM   49  C   UNL     1      10.048   2.715  -0.285  1.00  0.00           C  
HETATM   50  C   UNL     1      11.261   3.133   0.300  1.00  0.00           C  
HETATM   51  C   UNL     1      12.004   4.101  -0.296  1.00  0.00           C  
HETATM   52  C   UNL     1      13.224   4.521   0.293  1.00  0.00           C  
HETATM   53  H   UNL     1      14.776   5.702   0.175  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.301  -0.125  -2.361  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.558   2.754   0.372  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.485   1.621  -3.898  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.644   1.837  -1.543  1.00  0.00           H  
HETATM   58  H   UNL     1      -9.047   1.106  -2.132  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.503   3.021  -2.251  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.552  -1.000   0.060  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.856   1.187  -3.119  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.046   0.027  -2.035  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.510   3.375  -0.937  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.039   3.288  -1.836  1.00  0.00           H  
HETATM   65  H   UNL     1      -9.932   4.619  -0.102  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.937   5.102   1.292  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.350   5.392  -0.363  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.907   2.967   2.215  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.745  -1.676   2.533  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.871  -2.994   1.627  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.189  -2.236  -1.509  1.00  0.00           H  
HETATM   72  H   UNL     1       1.256  -0.870  -0.050  1.00  0.00           H  
HETATM   73  H   UNL     1       0.998  -2.008   1.295  1.00  0.00           H  
HETATM   74  H   UNL     1       2.316  -2.650  -1.385  1.00  0.00           H  
HETATM   75  H   UNL     1       1.850  -4.398   1.077  1.00  0.00           H  
HETATM   76  H   UNL     1       0.623  -4.516  -1.718  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.749  -6.333  -0.733  1.00  0.00           H  
HETATM   78  H   UNL     1       0.984  -6.734  -0.667  1.00  0.00           H  
HETATM   79  H   UNL     1       0.144  -6.176   0.799  1.00  0.00           H  
HETATM   80  H   UNL     1       4.333  -8.053   0.212  1.00  0.00           H  
HETATM   81  H   UNL     1       4.024  -7.487  -1.447  1.00  0.00           H  
HETATM   82  H   UNL     1       5.231  -6.658  -0.434  1.00  0.00           H  
HETATM   83  H   UNL     1       5.728  -1.478   1.258  1.00  0.00           H  
HETATM   84  H   UNL     1       5.795   0.389  -1.182  1.00  0.00           H  
HETATM   85  H   UNL     1       7.685  -0.092   1.247  1.00  0.00           H  
HETATM   86  H   UNL     1       7.753   1.777  -1.194  1.00  0.00           H  
HETATM   87  H   UNL     1       9.641   1.295   1.234  1.00  0.00           H  
HETATM   88  H   UNL     1       9.710   3.165  -1.206  1.00  0.00           H  
HETATM   89  H   UNL     1      11.599   2.683   1.222  1.00  0.00           H  
HETATM   90  H   UNL     1      11.666   4.551  -1.217  1.00  0.00           H  
CONECT    1   52   53                                                 
CONECT    2   28   28    4   29                                       
CONECT    3    4   54                                                 
CONECT    4    2    3    6    6                                       
CONECT    5    8   55                                                 
CONECT    6    4    4   26    8                                       
CONECT    7   12   56                                                 
CONECT    8    5    6   10   57                                       
CONECT    9   16   58                                                 
CONECT   10    8   17   24   12                                       
CONECT   11   22   22                                                 
CONECT   12    7   10   14   59                                       
CONECT   13   23   60                                                 
CONECT   14   12   16   61   62                                       
CONECT   15   25   25                                                 
CONECT   16    9   14   18   23                                       
CONECT   17   10   24                                                 
CONECT   18   16   19   63   64                                       
CONECT   19   18   20   21   21                                       
CONECT   20   19   65   66   67                                       
CONECT   21   19   19   22   68                                       
CONECT   22   11   11   21   23                                       
CONECT   23   13   16   22   24                                       
CONECT   24   10   17   23   25                                       
CONECT   25   15   15   24   26                                       
CONECT   26    6   25   27   27                                       
CONECT   27   26   26   28   69                                       
CONECT   28    2    2   27   70                                       
CONECT   29    2   31   30   71                                       
CONECT   30   29   37                                                 
CONECT   31   29   33   72   73                                       
CONECT   32   35   39                                                 
CONECT   33   31   36   35   74                                       
CONECT   34   39   39                                                 
CONECT   35   32   33   37   75                                       
CONECT   36   33   41                                                 
CONECT   37   30   35   38   76                                       
CONECT   38   37   77   78   79                                       
CONECT   39   32   34   34   40                                       
CONECT   40   39   80   81   82                                       
CONECT   41   36   43   42   42                                       
CONECT   42   41   41                                                 
CONECT   43   41   45   45   83                                       
CONECT   44   52   52                                                 
CONECT   45   43   43   46   84                                       
CONECT   46   45   47   47   85                                       
CONECT   47   46   46   48   86                                       
CONECT   48   47   49   49   87                                       
CONECT   49   48   48   50   88                                       
CONECT   50   49   51   51   89                                       
CONECT   51   50   50   52   90                                       
CONECT   52    1   44   44   51                                       
CONECT   53    1                                                      
CONECT   54    3                                                      
CONECT   55    5                                                      
CONECT   56    7                                                      
CONECT   57    8                                                      
CONECT   58    9                                                      
CONECT   59   12                                                      
CONECT   60   13                                                      
CONECT   61   14                                                      
CONECT   62   14                                                      
CONECT   63   18                                                      
CONECT   64   18                                                      
CONECT   65   20                                                      
CONECT   66   20                                                      
CONECT   67   20                                                      
CONECT   68   21                                                      
CONECT   69   27                                                      
CONECT   70   28                                                      
CONECT   71   29                                                      
CONECT   72   31                                                      
CONECT   73   31                                                      
CONECT   74   33                                                      
CONECT   75   35                                                      
CONECT   76   37                                                      
CONECT   77   38                                                      
CONECT   78   38                                                      
CONECT   79   38                                                      
CONECT   80   40                                                      
CONECT   81   40                                                      
CONECT   82   40                                                      
CONECT   83   43                                                      
CONECT   84   45                                                      
CONECT   85   46                                                      
CONECT   86   47                                                      
CONECT   87   48                                                      
CONECT   88   49                                                      
CONECT   89   50                                                      
CONECT   90   51                                                      
MASTER        0    0    0    0    0    0    0    0   90    0   90    0
END
