COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      10.514   2.268   0.778  1.00  0.00           C  
HETATM    2  O   UNL     1       9.134   2.494   0.484  1.00  0.00           O  
HETATM    3  C   UNL     1       8.551   1.271   0.369  1.00  0.00           C  
HETATM    4  C   UNL     1       9.308   0.123   0.537  1.00  0.00           C  
HETATM    5  C   UNL     1       8.725  -1.128   0.422  1.00  0.00           C  
HETATM    6  C   UNL     1       7.380  -1.243   0.134  1.00  0.00           C  
HETATM    7  C   UNL     1       6.611  -0.097  -0.038  1.00  0.00           C  
HETATM    8  C   UNL     1       7.191   1.170   0.088  1.00  0.00           C  
HETATM    9  N   UNL     1       6.420   2.317  -0.078  1.00  0.00           N  
HETATM   10  C   UNL     1       7.333   3.383  -0.511  1.00  0.00           C  
HETATM   11  C   UNL     1       5.472   2.106  -1.171  1.00  0.00           C  
HETATM   12  C   UNL     1       4.606   0.901  -0.916  1.00  0.00           C  
HETATM   13  C   UNL     1       5.165  -0.187  -0.361  1.00  0.00           C  
HETATM   14  N   UNL     1       4.425  -1.341  -0.102  1.00  0.00           N  
HETATM   15  C   UNL     1       3.000  -1.388  -0.436  1.00  0.00           C  
HETATM   16  C   UNL     1       2.574  -2.841  -0.654  1.00  0.00           C  
HETATM   17  C   UNL     1       1.085  -2.890  -1.003  1.00  0.00           C  
HETATM   18  C   UNL     1       2.187  -0.786   0.712  1.00  0.00           C  
HETATM   19  C   UNL     1       0.698  -0.835   0.363  1.00  0.00           C  
HETATM   20  C   UNL     1       0.273  -2.288   0.145  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.194  -2.336  -0.199  1.00  0.00           C  
HETATM   22  O   UNL     1      -1.553  -2.806  -1.258  1.00  0.00           O  
HETATM   23  N   UNL     1      -2.106  -1.857   0.670  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.531  -1.904   0.336  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.357  -1.910   1.625  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.846  -1.959   1.276  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.900  -0.677  -0.499  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.389  -0.725  -0.848  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.214  -0.732   0.440  1.00  0.00           C  
HETATM   30  N   UNL     1      -7.644  -0.778   0.105  1.00  0.00           N  
HETATM   31  C   UNL     1      -8.068   0.608  -0.130  1.00  0.00           C  
HETATM   32  C   UNL     1      -9.291   0.621  -1.052  1.00  0.00           C  
HETATM   33  C   UNL     1      -9.795   2.058  -1.199  1.00  0.00           C  
HETATM   34  N   UNL     1     -10.199   2.579   0.111  1.00  0.00           N  
HETATM   35  C   UNL     1     -10.662   3.956  -0.107  1.00  0.00           C  
HETATM   36  C   UNL     1      -8.991   2.666   0.938  1.00  0.00           C  
HETATM   37  C   UNL     1      -8.443   1.263   1.203  1.00  0.00           C  
HETATM   38  H   UNL     1      11.026   3.225   0.880  1.00  0.00           H  
HETATM   39  H   UNL     1      10.600   1.709   1.710  1.00  0.00           H  
HETATM   40  H   UNL     1      10.969   1.697  -0.031  1.00  0.00           H  
HETATM   41  H   UNL     1      10.362   0.204   0.760  1.00  0.00           H  
HETATM   42  H   UNL     1       9.325  -2.016   0.558  1.00  0.00           H  
HETATM   43  H   UNL     1       6.926  -2.219   0.042  1.00  0.00           H  
HETATM   44  H   UNL     1       6.765   4.165  -1.015  1.00  0.00           H  
HETATM   45  H   UNL     1       7.837   3.805   0.359  1.00  0.00           H  
HETATM   46  H   UNL     1       8.073   2.972  -1.196  1.00  0.00           H  
HETATM   47  H   UNL     1       4.839   2.988  -1.270  1.00  0.00           H  
HETATM   48  H   UNL     1       6.025   1.959  -2.100  1.00  0.00           H  
HETATM   49  H   UNL     1       3.558   0.911  -1.174  1.00  0.00           H  
HETATM   50  H   UNL     1       4.855  -2.113   0.299  1.00  0.00           H  
HETATM   51  H   UNL     1       2.821  -0.816  -1.346  1.00  0.00           H  
HETATM   52  H   UNL     1       2.753  -3.413   0.256  1.00  0.00           H  
HETATM   53  H   UNL     1       3.153  -3.270  -1.472  1.00  0.00           H  
HETATM   54  H   UNL     1       0.783  -3.926  -1.159  1.00  0.00           H  
HETATM   55  H   UNL     1       0.907  -2.318  -1.914  1.00  0.00           H  
HETATM   56  H   UNL     1       2.490   0.249   0.868  1.00  0.00           H  
HETATM   57  H   UNL     1       2.366  -1.358   1.623  1.00  0.00           H  
HETATM   58  H   UNL     1       0.119  -0.406   1.181  1.00  0.00           H  
HETATM   59  H   UNL     1       0.519  -0.263  -0.547  1.00  0.00           H  
HETATM   60  H   UNL     1       0.451  -2.860   1.055  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.818  -1.482   1.517  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.741  -2.809  -0.234  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.147  -1.006   2.195  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.094  -2.785   2.220  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.434  -1.964   2.193  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.056  -2.864   0.705  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.311  -0.672  -1.417  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.690   0.228   0.071  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.651   0.149  -1.444  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.599  -1.630  -1.419  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.004   0.173   1.011  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.719  -1.259  -0.779  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.254   1.165  -0.596  1.00  0.00           H  
HETATM   74  H   UNL     1     -10.078   0.002  -0.621  1.00  0.00           H  
HETATM   75  H   UNL     1      -9.014   0.230  -2.031  1.00  0.00           H  
HETATM   76  H   UNL     1     -10.650   2.075  -1.876  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.999   2.681  -1.607  1.00  0.00           H  
HETATM   78  H   UNL     1     -11.504   3.952  -0.799  1.00  0.00           H  
HETATM   79  H   UNL     1     -10.975   4.389   0.843  1.00  0.00           H  
HETATM   80  H   UNL     1      -9.850   4.550  -0.527  1.00  0.00           H  
HETATM   81  H   UNL     1      -9.234   3.146   1.886  1.00  0.00           H  
HETATM   82  H   UNL     1      -8.237   3.257   0.417  1.00  0.00           H  
HETATM   83  H   UNL     1      -7.559   1.331   1.837  1.00  0.00           H  
HETATM   84  H   UNL     1      -9.204   0.663   1.702  1.00  0.00           H  
CONECT    1    2   38   39   40                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    8    8                                       
CONECT    4    3    5    5   41                                       
CONECT    5    4    4    6   42                                       
CONECT    6    5    7    7   43                                       
CONECT    7    6    6    8   13                                       
CONECT    8    3    3    7    9                                       
CONECT    9    8   10   11                                            
CONECT   10    9   44   45   46                                       
CONECT   11    9   12   47   48                                       
CONECT   12   11   13   13   49                                       
CONECT   13    7   12   12   14                                       
CONECT   14   13   15   50                                            
CONECT   15   14   16   18   51                                       
CONECT   16   15   17   52   53                                       
CONECT   17   16   20   54   55                                       
CONECT   18   15   19   56   57                                       
CONECT   19   18   20   58   59                                       
CONECT   20   17   19   21   60                                       
CONECT   21   20   22   22   23                                       
CONECT   22   21   21                                                 
CONECT   23   21   24   61                                            
CONECT   24   23   25   27   62                                       
CONECT   25   24   26   63   64                                       
CONECT   26   25   29   65   66                                       
CONECT   27   24   28   67   68                                       
CONECT   28   27   29   69   70                                       
CONECT   29   26   28   30   71                                       
CONECT   30   29   31   72                                            
CONECT   31   30   32   37   73                                       
CONECT   32   31   33   74   75                                       
CONECT   33   32   34   76   77                                       
CONECT   34   33   35   36                                            
CONECT   35   34   78   79   80                                       
CONECT   36   34   37   81   82                                       
CONECT   37   31   36   83   84                                       
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44   10                                                      
CONECT   45   10                                                      
CONECT   46   10                                                      
CONECT   47   11                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   14                                                      
CONECT   51   15                                                      
CONECT   52   16                                                      
CONECT   53   16                                                      
CONECT   54   17                                                      
CONECT   55   17                                                      
CONECT   56   18                                                      
CONECT   57   18                                                      
CONECT   58   19                                                      
CONECT   59   19                                                      
CONECT   60   20                                                      
CONECT   61   23                                                      
CONECT   62   24                                                      
CONECT   63   25                                                      
CONECT   64   25                                                      
CONECT   65   26                                                      
CONECT   66   26                                                      
CONECT   67   27                                                      
CONECT   68   27                                                      
CONECT   69   28                                                      
CONECT   70   28                                                      
CONECT   71   29                                                      
CONECT   72   30                                                      
CONECT   73   31                                                      
CONECT   74   32                                                      
CONECT   75   32                                                      
CONECT   76   33                                                      
CONECT   77   33                                                      
CONECT   78   35                                                      
CONECT   79   35                                                      
CONECT   80   35                                                      
CONECT   81   36                                                      
CONECT   82   36                                                      
CONECT   83   37                                                      
CONECT   84   37                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
