COMPND    HMDB0302295
HETATM    1  C1  UNL     1      -6.608   1.701   1.320  1.00  0.00           C  
HETATM    2  C2  UNL     1      -5.310   1.150   0.892  1.00  0.00           C  
HETATM    3  C3  UNL     1      -4.243   0.705   0.523  1.00  0.00           C  
HETATM    4  C4  UNL     1      -2.978   0.175   0.071  1.00  0.00           C  
HETATM    5  C5  UNL     1      -2.735  -0.825  -0.836  1.00  0.00           C  
HETATM    6  C6  UNL     1      -1.462  -1.138  -1.088  1.00  0.00           C  
HETATM    7  C7  UNL     1      -0.490  -0.442  -0.427  1.00  0.00           C  
HETATM    8  C8  UNL     1       0.971  -0.582  -0.517  1.00  0.00           C  
HETATM    9  C9  UNL     1       1.688  -1.451  -1.291  1.00  0.00           C  
HETATM   10  C10 UNL     1       3.021  -1.384  -1.196  1.00  0.00           C  
HETATM   11  C11 UNL     1       3.558  -0.463  -0.341  1.00  0.00           C  
HETATM   12  C12 UNL     1       4.981  -0.203  -0.066  1.00  0.00           C  
HETATM   13  O1  UNL     1       5.833  -0.881  -0.663  1.00  0.00           O  
HETATM   14  C13 UNL     1       5.348   0.812   0.871  1.00  0.00           C  
HETATM   15  O2  UNL     1       4.504   1.516   1.491  1.00  0.00           O  
HETATM   16  O3  UNL     1       6.689   1.051   1.124  1.00  0.00           O  
HETATM   17  S1  UNL     1       2.164   0.291   0.311  1.00  0.00           S  
HETATM   18  S2  UNL     1      -1.405   0.640   0.537  1.00  0.00           S  
HETATM   19  H1  UNL     1      -7.257   1.926   0.424  1.00  0.00           H  
HETATM   20  H2  UNL     1      -7.121   0.900   1.864  1.00  0.00           H  
HETATM   21  H3  UNL     1      -6.489   2.590   1.952  1.00  0.00           H  
HETATM   22  H4  UNL     1      -3.610  -1.325  -1.315  1.00  0.00           H  
HETATM   23  H5  UNL     1      -1.168  -1.934  -1.807  1.00  0.00           H  
HETATM   24  H6  UNL     1       1.157  -2.173  -1.965  1.00  0.00           H  
HETATM   25  H7  UNL     1       3.690  -2.049  -1.785  1.00  0.00           H  
HETATM   26  H8  UNL     1       7.274   1.393   0.373  1.00  0.00           H  
CONECT    1    2   19   20   21
CONECT    2    3    3    3
CONECT    3    4
CONECT    4    5    5   18
CONECT    5    6   22
CONECT    6    7    7   23
CONECT    7    8   18
CONECT    8    9    9   17
CONECT    9   10   24
CONECT   10   11   11   25
CONECT   11   12   17
CONECT   12   13   13   14
CONECT   14   15   15   16
CONECT   16   26
END