COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.817   1.667   0.372  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.480   1.322   1.033  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.273   2.213   2.260  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.045   0.731  -0.819  1.00  0.00           C  
HETATM    5  O   UNL     1      -5.135  -1.604  -1.445  1.00  0.00           O  
HETATM    6  C   UNL     1      -4.996  -0.720  -0.331  1.00  0.00           C  
HETATM    7  O   UNL     1      -6.325   0.997  -1.398  1.00  0.00           O  
HETATM    8  O   UNL     1      -4.789   3.021  -0.084  1.00  0.00           O  
HETATM    9  O   UNL     1      -1.976   1.972   2.810  1.00  0.00           O  
HETATM   10  O   UNL     1      -3.489  -0.049   1.436  1.00  0.00           O  
HETATM   11  C   UNL     1      -3.652  -0.973   0.358  1.00  0.00           C  
HETATM   12  O   UNL     1      -2.593  -0.796  -0.585  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.327  -1.281  -0.134  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.209  -0.441  -0.755  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.364   0.924  -0.362  1.00  0.00           O  
HETATM   16  C   UNL     1      -1.160  -2.742  -0.555  1.00  0.00           C  
HETATM   17  N   UNL     1      -2.233  -3.549   0.042  1.00  0.00           N  
HETATM   18  C   UNL     1       0.196  -3.261  -0.072  1.00  0.00           C  
HETATM   19  C   UNL     1       1.314  -2.421  -0.693  1.00  0.00           C  
HETATM   20  N   UNL     1       2.616  -2.919  -0.229  1.00  0.00           N  
HETATM   21  C   UNL     1       1.147  -0.959  -0.272  1.00  0.00           C  
HETATM   22  O   UNL     1       2.191  -0.175  -0.852  1.00  0.00           O  
HETATM   23  C   UNL     1       2.504   1.011  -0.118  1.00  0.00           C  
HETATM   24  O   UNL     1       3.188   0.660   1.086  1.00  0.00           O  
HETATM   25  C   UNL     1       4.403  -0.063   0.877  1.00  0.00           C  
HETATM   26  C   UNL     1       5.030  -0.407   2.230  1.00  0.00           C  
HETATM   27  N   UNL     1       4.149  -1.330   2.957  1.00  0.00           N  
HETATM   28  C   UNL     1       5.375   0.799   0.068  1.00  0.00           C  
HETATM   29  O   UNL     1       6.569   0.057  -0.192  1.00  0.00           O  
HETATM   30  C   UNL     1       4.716   1.190  -1.259  1.00  0.00           C  
HETATM   31  O   UNL     1       5.589   2.055  -1.989  1.00  0.00           O  
HETATM   32  C   UNL     1       3.400   1.916  -0.968  1.00  0.00           C  
HETATM   33  O   UNL     1       2.741   2.221  -2.198  1.00  0.00           O  
HETATM   34  H   UNL     1      -5.624   1.541   1.094  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.670   1.487   0.323  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.354   3.260   1.966  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.032   1.985   3.007  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.266   0.892  -1.564  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.113  -2.541  -1.208  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.807  -0.894   0.376  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.536   0.439  -2.159  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.604   3.307  -0.518  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.775   2.503   3.592  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.628  -1.991   0.745  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.275  -1.207   0.952  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.260  -0.514  -1.841  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.154   1.350  -0.722  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.211  -2.816  -1.641  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.146  -4.519  -0.222  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.248  -3.446   1.045  1.00  0.00           H  
HETATM   51  H   UNL     1       0.247  -3.187   1.015  1.00  0.00           H  
HETATM   52  H   UNL     1       0.315  -4.302  -0.371  1.00  0.00           H  
HETATM   53  H   UNL     1       1.263  -2.494  -1.779  1.00  0.00           H  
HETATM   54  H   UNL     1       2.753  -3.881  -0.501  1.00  0.00           H  
HETATM   55  H   UNL     1       3.367  -2.336  -0.568  1.00  0.00           H  
HETATM   56  H   UNL     1       1.199  -0.886   0.814  1.00  0.00           H  
HETATM   57  H   UNL     1       1.582   1.539   0.128  1.00  0.00           H  
HETATM   58  H   UNL     1       4.190  -0.982   0.331  1.00  0.00           H  
HETATM   59  H   UNL     1       5.999  -0.880   2.070  1.00  0.00           H  
HETATM   60  H   UNL     1       5.162   0.505   2.812  1.00  0.00           H  
HETATM   61  H   UNL     1       4.542  -1.573   3.855  1.00  0.00           H  
HETATM   62  H   UNL     1       3.224  -0.941   3.061  1.00  0.00           H  
HETATM   63  H   UNL     1       5.621   1.698   0.632  1.00  0.00           H  
HETATM   64  H   UNL     1       7.231   0.543  -0.702  1.00  0.00           H  
HETATM   65  H   UNL     1       4.518   0.293  -1.845  1.00  0.00           H  
HETATM   66  H   UNL     1       5.234   2.342  -2.842  1.00  0.00           H  
HETATM   67  H   UNL     1       3.605   2.839  -0.425  1.00  0.00           H  
HETATM   68  H   UNL     1       1.896   2.679  -2.089  1.00  0.00           H  
CONECT    1    8    4    2   34                                       
CONECT    2    1    3   10   35                                       
CONECT    3    2    9   36   37                                       
CONECT    4    7    1    6   38                                       
CONECT    5    6   39                                                 
CONECT    6    4    5   11   40                                       
CONECT    7    4   41                                                 
CONECT    8    1   42                                                 
CONECT    9    3   43                                                 
CONECT   10    2   11                                                 
CONECT   11    6   10   12   44                                       
CONECT   12   11   13                                                 
CONECT   13   12   14   16   45                                       
CONECT   14   15   13   21   46                                       
CONECT   15   14   47                                                 
CONECT   16   13   17   18   48                                       
CONECT   17   16   49   50                                            
CONECT   18   16   19   51   52                                       
CONECT   19   21   18   20   53                                       
CONECT   20   19   54   55                                            
CONECT   21   14   22   19   56                                       
CONECT   22   21   23                                                 
CONECT   23   22   32   24   57                                       
CONECT   24   23   25                                                 
CONECT   25   24   28   26   58                                       
CONECT   26   25   27   59   60                                       
CONECT   27   26   61   62                                            
CONECT   28   30   25   29   63                                       
CONECT   29   28   64                                                 
CONECT   30   32   31   28   65                                       
CONECT   31   30   66                                                 
CONECT   32   33   23   30   67                                       
CONECT   33   32   68                                                 
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44   11                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   17                                                      
CONECT   51   18                                                      
CONECT   52   18                                                      
CONECT   53   19                                                      
CONECT   54   20                                                      
CONECT   55   20                                                      
CONECT   56   21                                                      
CONECT   57   23                                                      
CONECT   58   25                                                      
CONECT   59   26                                                      
CONECT   60   26                                                      
CONECT   61   27                                                      
CONECT   62   27                                                      
CONECT   63   28                                                      
CONECT   64   29                                                      
CONECT   65   30                                                      
CONECT   66   31                                                      
CONECT   67   32                                                      
CONECT   68   33                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
