COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -4.566   4.688   0.321  1.00  0.00           O  
HETATM    2  C   UNL     1      -3.565   3.800   0.421  1.00  0.00           C  
HETATM    3  O   UNL     1      -2.885   3.765   1.419  1.00  0.00           O  
HETATM    4  C   UNL     1      -3.289   2.845  -0.713  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.123   1.961  -0.352  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.876   2.325  -0.730  1.00  0.00           C  
HETATM    7  C   UNL     1       0.232   1.511  -0.399  1.00  0.00           C  
HETATM    8  C   UNL     1       1.520   1.871  -0.786  1.00  0.00           C  
HETATM    9  C   UNL     1       2.604   1.054  -0.449  1.00  0.00           C  
HETATM   10  C   UNL     1       3.908   1.418  -0.844  1.00  0.00           C  
HETATM   11  C   UNL     1       4.971   0.611  -0.510  1.00  0.00           C  
HETATM   12  C   UNL     1       6.356   0.927  -0.880  1.00  0.00           C  
HETATM   13  C   UNL     1       7.302  -0.035  -0.730  1.00  0.00           C  
HETATM   14  C   UNL     1       8.697   0.285  -1.066  1.00  0.00           C  
HETATM   15  O   UNL     1       8.985   1.395  -1.470  1.00  0.00           O  
HETATM   16  O   UNL     1       9.656  -0.652  -0.926  1.00  0.00           O  
HETATM   17  C   UNL     1      11.011  -0.266  -1.276  1.00  0.00           C  
HETATM   18  O   UNL     1       7.009  -1.278  -0.283  1.00  0.00           O  
HETATM   19  C   UNL     1       5.953  -1.429   0.553  1.00  0.00           C  
HETATM   20  O   UNL     1       5.994  -2.186   1.504  1.00  0.00           O  
HETATM   21  C   UNL     1       4.755  -0.631   0.253  1.00  0.00           C  
HETATM   22  C   UNL     1       3.484  -1.004   0.651  1.00  0.00           C  
HETATM   23  O   UNL     1       3.293  -2.144   1.355  1.00  0.00           O  
HETATM   24  C   UNL     1       2.386  -0.180   0.312  1.00  0.00           C  
HETATM   25  C   UNL     1       1.089  -0.544   0.702  1.00  0.00           C  
HETATM   26  O   UNL     1       0.884  -1.682   1.407  1.00  0.00           O  
HETATM   27  C   UNL     1       0.892  -1.573   2.832  1.00  0.00           C  
HETATM   28  C   UNL     1       0.008   0.278   0.360  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.309  -0.063   0.735  1.00  0.00           C  
HETATM   30  O   UNL     1      -1.550  -1.197   1.435  1.00  0.00           O  
HETATM   31  C   UNL     1      -1.857  -2.372   0.682  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.358   0.780   0.376  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.735   0.432   0.770  1.00  0.00           C  
HETATM   34  O   UNL     1      -4.158   0.763   1.865  1.00  0.00           O  
HETATM   35  C   UNL     1      -4.563  -0.285  -0.119  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.864  -0.527   0.207  1.00  0.00           C  
HETATM   37  O   UNL     1      -6.392   0.016   1.327  1.00  0.00           O  
HETATM   38  C   UNL     1      -6.694  -1.380  -0.660  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.284  -2.682  -0.966  1.00  0.00           C  
HETATM   40  C   UNL     1      -7.065  -3.474  -1.778  1.00  0.00           C  
HETATM   41  C   UNL     1      -8.256  -2.989  -2.293  1.00  0.00           C  
HETATM   42  C   UNL     1      -8.673  -1.705  -1.999  1.00  0.00           C  
HETATM   43  C   UNL     1      -7.903  -0.895  -1.179  1.00  0.00           C  
HETATM   44  O   UNL     1      -8.314   0.364  -0.884  1.00  0.00           O  
HETATM   45  H   UNL     1      -4.705   5.280   1.073  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.170   2.230  -0.892  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.050   3.411  -1.614  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.727   3.238  -1.287  1.00  0.00           H  
HETATM   49  H   UNL     1       1.682   2.780  -1.345  1.00  0.00           H  
HETATM   50  H   UNL     1       4.072   2.326  -1.406  1.00  0.00           H  
HETATM   51  H   UNL     1       6.616   1.903  -1.263  1.00  0.00           H  
HETATM   52  H   UNL     1      11.682  -1.110  -1.118  1.00  0.00           H  
HETATM   53  H   UNL     1      11.044   0.033  -2.324  1.00  0.00           H  
HETATM   54  H   UNL     1      11.324   0.570  -0.650  1.00  0.00           H  
HETATM   55  H   UNL     1       3.342  -2.026   2.314  1.00  0.00           H  
HETATM   56  H   UNL     1       1.822  -1.107   3.156  1.00  0.00           H  
HETATM   57  H   UNL     1       0.049  -0.962   3.154  1.00  0.00           H  
HETATM   58  H   UNL     1       0.809  -2.566   3.273  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.114  -3.183   1.363  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.701  -2.170   0.022  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.991  -2.658   0.086  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.167  -0.641  -1.058  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.320  -0.212   1.475  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.356  -3.065  -0.567  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.748  -4.479  -2.014  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.862  -3.617  -2.929  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.603  -1.334  -2.404  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.071   1.023  -1.549  1.00  0.00           H  
CONECT    1    2   45                                                 
CONECT    2    3    3    4    1                                       
CONECT    3    2    2                                                 
CONECT    4    5    2   46   47                                       
CONECT    5    6    6   32    4                                       
CONECT    6    7    5    5   48                                       
CONECT    7    8    8   28    6                                       
CONECT    8    9    7    7   49                                       
CONECT    9   10   24   24    8                                       
CONECT   10   11   11    9   50                                       
CONECT   11   12   21   10   10                                       
CONECT   12   13   13   11   51                                       
CONECT   13   14   18   12   12                                       
CONECT   14   16   15   15   13                                       
CONECT   15   14   14                                                 
CONECT   16   17   14                                                 
CONECT   17   16   52   53   54                                       
CONECT   18   13   19                                                 
CONECT   19   18   20   20   21                                       
CONECT   20   19   19                                                 
CONECT   21   19   11   22   22                                       
CONECT   22   21   21   23   24                                       
CONECT   23   22   55                                                 
CONECT   24   22    9    9   25                                       
CONECT   25   24   26   28   28                                       
CONECT   26   25   27                                                 
CONECT   27   26   56   57   58                                       
CONECT   28   25   25    7   29                                       
CONECT   29   28   30   32   32                                       
CONECT   30   29   31                                                 
CONECT   31   30   59   60   61                                       
CONECT   32   29   29    5   33                                       
CONECT   33   32   34   34   35                                       
CONECT   34   33   33                                                 
CONECT   35   33   36   36   62                                       
CONECT   36   35   35   37   38                                       
CONECT   37   36   63                                                 
CONECT   38   36   43   43   39                                       
CONECT   39   38   40   40   64                                       
CONECT   40   39   39   41   65                                       
CONECT   41   42   42   40   66                                       
CONECT   42   43   41   41   67                                       
CONECT   43   44   38   38   42                                       
CONECT   44   43   68                                                 
CONECT   45    1                                                      
CONECT   46    4                                                      
CONECT   47    4                                                      
CONECT   48    6                                                      
CONECT   49    8                                                      
CONECT   50   10                                                      
CONECT   51   12                                                      
CONECT   52   17                                                      
CONECT   53   17                                                      
CONECT   54   17                                                      
CONECT   55   23                                                      
CONECT   56   27                                                      
CONECT   57   27                                                      
CONECT   58   27                                                      
CONECT   59   31                                                      
CONECT   60   31                                                      
CONECT   61   31                                                      
CONECT   62   35                                                      
CONECT   63   37                                                      
CONECT   64   39                                                      
CONECT   65   40                                                      
CONECT   66   41                                                      
CONECT   67   42                                                      
CONECT   68   44                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
