COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.137   0.471   0.635  1.00  0.00           C  
HETATM    2  O   UNL     1      -2.077  -0.163   1.667  1.00  0.00           O  
HETATM    3  C   UNL     1      -3.466   0.979   0.139  1.00  0.00           C  
HETATM    4  O   UNL     1      -4.509   0.491   0.986  1.00  0.00           O  
HETATM    5  C   UNL     1      -3.467   2.509   0.159  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.748   3.019  -0.451  1.00  0.00           C  
HETATM    7  O   UNL     1      -4.970   4.340  -0.540  1.00  0.00           O  
HETATM    8  O   UNL     1      -5.575   2.239  -0.859  1.00  0.00           O  
HETATM    9  N   UNL     1      -1.014   0.726  -0.066  1.00  0.00           N  
HETATM   10  C   UNL     1       0.279   0.238   0.419  1.00  0.00           C  
HETATM   11  C   UNL     1       1.381   1.109  -0.125  1.00  0.00           C  
HETATM   12  O   UNL     1       1.113   2.046  -0.847  1.00  0.00           O  
HETATM   13  C   UNL     1       0.488  -1.203  -0.051  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.558  -2.110   0.601  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.351  -3.529   0.138  1.00  0.00           C  
HETATM   16  C   UNL     1       0.484  -4.372   0.846  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.002  -3.989  -0.991  1.00  0.00           C  
HETATM   18  C   UNL     1       0.674  -5.674   0.421  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.813  -5.291  -1.416  1.00  0.00           C  
HETATM   20  C   UNL     1       0.027  -6.133  -0.711  1.00  0.00           C  
HETATM   21  C   UNL     1       6.069   3.481   0.185  1.00  0.00           C  
HETATM   22  C   UNL     1       6.207   2.068  -0.385  1.00  0.00           C  
HETATM   23  C   UNL     1       7.563   1.486   0.018  1.00  0.00           C  
HETATM   24  C   UNL     1       5.088   1.183   0.167  1.00  0.00           C  
HETATM   25  C   UNL     1       3.737   1.694  -0.339  1.00  0.00           C  
HETATM   26  N   UNL     1       2.665   0.847   0.190  1.00  0.00           N  
HETATM   27  H   UNL     1      -3.632   0.629  -0.880  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.425   0.765   1.910  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.391   2.859   1.189  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.618   2.881  -0.415  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.805   4.619  -0.938  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.062   1.234  -0.891  1.00  0.00           H  
HETATM   33  H   UNL     1       0.294   0.270   1.508  1.00  0.00           H  
HETATM   34  H   UNL     1       0.384  -1.250  -1.135  1.00  0.00           H  
HETATM   35  H   UNL     1       1.486  -1.537   0.233  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.454  -2.062   1.685  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.556  -1.776   0.317  1.00  0.00           H  
HETATM   38  H   UNL     1       0.989  -4.014   1.731  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.658  -3.331  -1.542  1.00  0.00           H  
HETATM   40  H   UNL     1       1.327  -6.333   0.974  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.322  -5.650  -2.298  1.00  0.00           H  
HETATM   42  H   UNL     1       0.175  -7.150  -1.043  1.00  0.00           H  
HETATM   43  H   UNL     1       6.139   3.443   1.272  1.00  0.00           H  
HETATM   44  H   UNL     1       6.866   4.111  -0.209  1.00  0.00           H  
HETATM   45  H   UNL     1       5.103   3.896  -0.102  1.00  0.00           H  
HETATM   46  H   UNL     1       6.137   2.106  -1.472  1.00  0.00           H  
HETATM   47  H   UNL     1       7.633   1.447   1.105  1.00  0.00           H  
HETATM   48  H   UNL     1       7.662   0.479  -0.388  1.00  0.00           H  
HETATM   49  H   UNL     1       8.361   2.116  -0.376  1.00  0.00           H  
HETATM   50  H   UNL     1       5.237   0.157  -0.167  1.00  0.00           H  
HETATM   51  H   UNL     1       5.103   1.216   1.257  1.00  0.00           H  
HETATM   52  H   UNL     1       3.588   2.720  -0.004  1.00  0.00           H  
HETATM   53  H   UNL     1       3.722   1.661  -1.429  1.00  0.00           H  
HETATM   54  H   UNL     1       2.879   0.097   0.767  1.00  0.00           H  
CONECT    1    3    2    2    9                                       
CONECT    2    1    1                                                 
CONECT    3    5    4    1   27                                       
CONECT    4    3   28                                                 
CONECT    5    6    3   29   30                                       
CONECT    6    8    8    7    5                                       
CONECT    7    6   31                                                 
CONECT    8    6    6                                                 
CONECT    9    1   10   32                                            
CONECT   10    9   13   11   33                                       
CONECT   11   10   26   12   12                                       
CONECT   12   11   11                                                 
CONECT   13   10   14   34   35                                       
CONECT   14   13   15   36   37                                       
CONECT   15   14   16   16   17                                       
CONECT   16   15   15   18   38                                       
CONECT   17   15   19   19   39                                       
CONECT   18   16   20   20   40                                       
CONECT   19   20   17   17   41                                       
CONECT   20   18   18   19   42                                       
CONECT   21   22   43   44   45                                       
CONECT   22   24   21   23   46                                       
CONECT   23   22   47   48   49                                       
CONECT   24   25   22   50   51                                       
CONECT   25   26   24   52   53                                       
CONECT   26   11   25   54                                            
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30    5                                                      
CONECT   31    7                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   13                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   14                                                      
CONECT   38   16                                                      
CONECT   39   17                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   21                                                      
CONECT   45   21                                                      
CONECT   46   22                                                      
CONECT   47   23                                                      
CONECT   48   23                                                      
CONECT   49   23                                                      
CONECT   50   24                                                      
CONECT   51   24                                                      
CONECT   52   25                                                      
CONECT   53   25                                                      
CONECT   54   26                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
