COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      10.223  -0.785  -0.306  1.00  0.00           C  
HETATM    2  C   UNL     1       8.813  -1.380  -0.327  1.00  0.00           C  
HETATM    3  C   UNL     1       8.594  -2.125  -1.645  1.00  0.00           C  
HETATM    4  O   UNL     1       8.663  -2.289   0.765  1.00  0.00           O  
HETATM    5  C   UNL     1       7.783  -0.255  -0.200  1.00  0.00           C  
HETATM    6  O   UNL     1       6.467  -0.810  -0.221  1.00  0.00           O  
HETATM    7  C   UNL     1       5.428   0.061  -0.117  1.00  0.00           C  
HETATM    8  C   UNL     1       4.110  -0.421  -0.125  1.00  0.00           C  
HETATM    9  C   UNL     1       5.671   1.390  -0.001  1.00  0.00           C  
HETATM   10  N   UNL     1       4.647   2.287   0.106  1.00  0.00           N  
HETATM   11  N   UNL     1       4.635   3.681   0.234  1.00  0.00           N  
HETATM   12  C   UNL     1       3.399   4.104   0.303  1.00  0.00           C  
HETATM   13  C   UNL     1       2.539   2.996   0.221  1.00  0.00           C  
HETATM   14  C   UNL     1       1.107   3.023   0.257  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.028   3.045   0.286  1.00  0.00           N  
HETATM   16  C   UNL     1       3.352   1.856   0.097  1.00  0.00           C  
HETATM   17  C   UNL     1       3.062   0.479  -0.018  1.00  0.00           C  
HETATM   18  C   UNL     1       1.659   0.004  -0.023  1.00  0.00           C  
HETATM   19  C   UNL     1       0.856   0.160   1.104  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.393  -0.261   1.104  1.00  0.00           N  
HETATM   21  C   UNL     1       1.119  -0.603  -1.164  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.195  -1.025  -1.124  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.932  -0.844   0.043  1.00  0.00           C  
HETATM   24  N   UNL     1      -2.256  -1.266   0.091  1.00  0.00           N  
HETATM   25  C   UNL     1      -2.854  -0.986   1.404  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.371  -2.689  -0.260  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.756  -3.217   0.140  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.866  -3.290   1.684  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.160  -1.774   1.568  1.00  0.00           C  
HETATM   30  N   UNL     1      -4.777  -2.172   0.294  1.00  0.00           N  
HETATM   31  C   UNL     1      -4.832  -1.162  -0.741  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.072  -0.325  -0.561  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.254  -0.690  -1.172  1.00  0.00           C  
HETATM   34  N   UNL     1      -8.347   0.033  -1.017  1.00  0.00           N  
HETATM   35  C   UNL     1      -6.039   0.818   0.226  1.00  0.00           C  
HETATM   36  C   UNL     1      -7.200   1.558   0.366  1.00  0.00           C  
HETATM   37  C   UNL     1      -8.356   1.128  -0.275  1.00  0.00           C  
HETATM   38  O   UNL     1      -9.502   1.842  -0.143  1.00  0.00           O  
HETATM   39  C   UNL     1     -10.654   1.351  -0.831  1.00  0.00           C  
HETATM   40  H   UNL     1      10.379  -0.254   0.633  1.00  0.00           H  
HETATM   41  H   UNL     1      10.956  -1.586  -0.396  1.00  0.00           H  
HETATM   42  H   UNL     1      10.337  -0.092  -1.139  1.00  0.00           H  
HETATM   43  H   UNL     1       8.709  -1.432  -2.478  1.00  0.00           H  
HETATM   44  H   UNL     1       9.328  -2.926  -1.736  1.00  0.00           H  
HETATM   45  H   UNL     1       7.590  -2.549  -1.661  1.00  0.00           H  
HETATM   46  H   UNL     1       8.788  -1.884   1.634  1.00  0.00           H  
HETATM   47  H   UNL     1       7.939   0.276   0.738  1.00  0.00           H  
HETATM   48  H   UNL     1       7.898   0.438  -1.034  1.00  0.00           H  
HETATM   49  H   UNL     1       3.915  -1.480  -0.213  1.00  0.00           H  
HETATM   50  H   UNL     1       6.691   1.745   0.008  1.00  0.00           H  
HETATM   51  H   UNL     1       3.091   5.134   0.405  1.00  0.00           H  
HETATM   52  H   UNL     1       1.261   0.630   1.988  1.00  0.00           H  
HETATM   53  H   UNL     1       1.717  -0.738  -2.054  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.642  -1.501  -1.984  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.151  -1.273   2.192  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.056   0.085   1.493  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.225  -2.815  -1.336  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.597  -3.257   0.266  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.061  -4.127  -0.387  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.711  -3.877   2.037  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.928  -3.521   2.181  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.835  -1.375   2.333  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.950  -0.524  -0.673  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.857  -1.644  -1.718  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.286  -1.579  -1.785  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.127   1.123   0.719  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.210   2.452   0.971  1.00  0.00           H  
HETATM   68  H   UNL     1     -10.451   1.318  -1.902  1.00  0.00           H  
HETATM   69  H   UNL     1     -10.891   0.349  -0.475  1.00  0.00           H  
HETATM   70  H   UNL     1     -11.500   2.013  -0.642  1.00  0.00           H  
CONECT    1    2   40   41   42                                       
CONECT    2    4    5    3    1                                       
CONECT    3    2   43   44   45                                       
CONECT    4    2   46                                                 
CONECT    5    6    2   47   48                                       
CONECT    6    7    5                                                 
CONECT    7    8    6    9    9                                       
CONECT    8   17   17    7   49                                       
CONECT    9    7    7   10   50                                       
CONECT   10   16    9   11                                            
CONECT   11   10   12   12                                            
CONECT   12   13   11   11   51                                       
CONECT   13   14   16   16   12                                       
CONECT   14   15   15   15   13                                       
CONECT   15   14   14   14                                            
CONECT   16   17   13   13   10                                       
CONECT   17   18    8    8   16                                       
CONECT   18   21   21   19   17                                       
CONECT   19   20   20   18   52                                       
CONECT   20   23   19   19                                            
CONECT   21   22   18   18   53                                       
CONECT   22   23   23   21   54                                       
CONECT   23   24   22   22   20                                       
CONECT   24   26   25   23                                            
CONECT   25   29   24   55   56                                       
CONECT   26   27   24   57   58                                       
CONECT   27   30   26   28   59                                       
CONECT   28   27   29   60   61                                       
CONECT   29   30   28   25   62                                       
CONECT   30   31   27   29                                            
CONECT   31   32   30   63   64                                       
CONECT   32   33   33   35   31                                       
CONECT   33   34   32   32   65                                       
CONECT   34   37   37   33                                            
CONECT   35   36   36   32   66                                       
CONECT   36   37   35   35   67                                       
CONECT   37   38   34   34   36                                       
CONECT   38   39   37                                                 
CONECT   39   38   68   69   70                                       
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    3                                                      
CONECT   44    3                                                      
CONECT   45    3                                                      
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    5                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51   12                                                      
CONECT   52   19                                                      
CONECT   53   21                                                      
CONECT   54   22                                                      
CONECT   55   25                                                      
CONECT   56   25                                                      
CONECT   57   26                                                      
CONECT   58   26                                                      
CONECT   59   27                                                      
CONECT   60   28                                                      
CONECT   61   28                                                      
CONECT   62   29                                                      
CONECT   63   31                                                      
CONECT   64   31                                                      
CONECT   65   33                                                      
CONECT   66   35                                                      
CONECT   67   36                                                      
CONECT   68   39                                                      
CONECT   69   39                                                      
CONECT   70   39                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
