COMPND    HMDB0259178
HETATM    1  O1  UNL     1       3.377  -0.963  -0.106  1.00  0.00           O  
HETATM    2  C1  UNL     1       3.093   0.182   0.314  1.00  0.00           C  
HETATM    3  O2  UNL     1       4.080   1.088   0.746  1.00  0.00           O  
HETATM    4  C2  UNL     1       1.671   0.603   0.361  1.00  0.00           C  
HETATM    5  N1  UNL     1       0.877  -0.469  -0.118  1.00  0.00           N  
HETATM    6  C3  UNL     1      -0.521  -0.302  -0.190  1.00  0.00           C  
HETATM    7  C4  UNL     1      -1.044  -1.454  -1.071  1.00  0.00           C  
HETATM    8  O3  UNL     1      -2.419  -1.386  -1.210  1.00  0.00           O  
HETATM    9  C5  UNL     1      -1.257  -0.460   1.120  1.00  0.00           C  
HETATM   10  O4  UNL     1      -0.782   0.498   2.008  1.00  0.00           O  
HETATM   11  C6  UNL     1      -0.957   1.006  -0.809  1.00  0.00           C  
HETATM   12  O5  UNL     1      -2.336   1.066  -0.831  1.00  0.00           O  
HETATM   13  H1  UNL     1       4.453   1.034   1.685  1.00  0.00           H  
HETATM   14  H2  UNL     1       1.601   1.526  -0.293  1.00  0.00           H  
HETATM   15  H3  UNL     1       1.386   0.937   1.394  1.00  0.00           H  
HETATM   16  H4  UNL     1       1.309  -0.865  -0.981  1.00  0.00           H  
HETATM   17  H5  UNL     1      -0.488  -1.506  -2.016  1.00  0.00           H  
HETATM   18  H6  UNL     1      -0.781  -2.384  -0.488  1.00  0.00           H  
HETATM   19  H7  UNL     1      -2.654  -1.632  -2.142  1.00  0.00           H  
HETATM   20  H8  UNL     1      -2.353  -0.334   0.935  1.00  0.00           H  
HETATM   21  H9  UNL     1      -1.102  -1.473   1.557  1.00  0.00           H  
HETATM   22  H10 UNL     1      -1.356   0.445   2.811  1.00  0.00           H  
HETATM   23  H11 UNL     1      -0.542   1.046  -1.834  1.00  0.00           H  
HETATM   24  H12 UNL     1      -0.577   1.816  -0.182  1.00  0.00           H  
HETATM   25  H13 UNL     1      -2.676   1.981  -0.658  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   13
CONECT    4    5   14   15
CONECT    5    6   16
CONECT    6    7    9   11
CONECT    7    8   17   18
CONECT    8   19
CONECT    9   10   20   21
CONECT   10   22
CONECT   11   12   23   24
CONECT   12   25
END