COMPND    HMDB0240449
HETATM    1  O1  UNL     1       4.794   0.020   0.346  1.00  0.00           O  
HETATM    2  C1  UNL     1       4.048  -0.710  -0.328  1.00  0.00           C  
HETATM    3  O2  UNL     1       4.612  -1.768  -1.040  1.00  0.00           O  
HETATM    4  C2  UNL     1       2.606  -0.463  -0.372  1.00  0.00           C  
HETATM    5  C3  UNL     1       2.148   0.544   0.318  1.00  0.00           C  
HETATM    6  C4  UNL     1       0.731   0.854   0.326  1.00  0.00           C  
HETATM    7  C5  UNL     1       0.240   1.925   1.060  1.00  0.00           C  
HETATM    8  C6  UNL     1      -1.103   2.206   1.057  1.00  0.00           C  
HETATM    9  O3  UNL     1      -1.523   3.296   1.817  1.00  0.00           O  
HETATM   10  C7  UNL     1      -1.981   1.426   0.324  1.00  0.00           C  
HETATM   11  C8  UNL     1      -1.522   0.373  -0.401  1.00  0.00           C  
HETATM   12  O4  UNL     1      -2.408  -0.427  -1.149  1.00  0.00           O  
HETATM   13  S1  UNL     1      -3.138  -1.801  -0.441  1.00  0.00           S  
HETATM   14  O5  UNL     1      -2.277  -2.300   0.700  1.00  0.00           O  
HETATM   15  O6  UNL     1      -4.495  -1.408   0.032  1.00  0.00           O  
HETATM   16  O7  UNL     1      -3.246  -3.044  -1.565  1.00  0.00           O  
HETATM   17  C9  UNL     1      -0.162   0.096  -0.392  1.00  0.00           C  
HETATM   18  H1  UNL     1       4.679  -2.653  -0.572  1.00  0.00           H  
HETATM   19  H2  UNL     1       2.022  -1.135  -0.976  1.00  0.00           H  
HETATM   20  H3  UNL     1       2.794   1.186   0.909  1.00  0.00           H  
HETATM   21  H4  UNL     1       0.958   2.505   1.615  1.00  0.00           H  
HETATM   22  H5  UNL     1      -1.771   3.085   2.782  1.00  0.00           H  
HETATM   23  H6  UNL     1      -3.046   1.671   0.340  1.00  0.00           H  
HETATM   24  H7  UNL     1      -3.090  -2.705  -2.486  1.00  0.00           H  
HETATM   25  H8  UNL     1       0.130  -0.772  -1.004  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   18
CONECT    4    5    5   19
CONECT    5    6   20
CONECT    6    7    7   17
CONECT    7    8   21
CONECT    8    9   10   10
CONECT    9   22
CONECT   10   11   23
CONECT   11   12   17   17
CONECT   12   13
CONECT   13   14   14   15   15
CONECT   13   16
CONECT   16   24
CONECT   17   25
END