COMPND    HMDB0059741
HETATM    1  O1  UNL     1      -3.522   2.136   1.639  1.00  0.00           O  
HETATM    2  C1  UNL     1      -2.351   2.030   1.221  1.00  0.00           C  
HETATM    3  O2  UNL     1      -1.492   3.111   1.313  1.00  0.00           O  
HETATM    4  C2  UNL     1      -1.873   0.772   0.631  1.00  0.00           C  
HETATM    5  C3  UNL     1      -2.719  -0.314   0.533  1.00  0.00           C  
HETATM    6  C4  UNL     1      -2.275  -1.481  -0.015  1.00  0.00           C  
HETATM    7  O3  UNL     1      -2.974  -2.516  -0.144  1.00  0.00           O  
HETATM    8  C5  UNL     1      -0.965  -1.546  -0.465  1.00  0.00           C  
HETATM    9  C6  UNL     1      -0.462  -2.714  -1.032  1.00  0.00           C  
HETATM   10  C7  UNL     1       0.843  -2.760  -1.473  1.00  0.00           C  
HETATM   11  C8  UNL     1       1.650  -1.648  -1.353  1.00  0.00           C  
HETATM   12  C9  UNL     1       1.192  -0.487  -0.803  1.00  0.00           C  
HETATM   13  O4  UNL     1       1.929   0.655  -0.650  1.00  0.00           O  
HETATM   14  S1  UNL     1       2.870   1.138   0.614  1.00  0.00           S  
HETATM   15  O5  UNL     1       4.210   0.488   0.706  1.00  0.00           O  
HETATM   16  O6  UNL     1       2.142   0.925   1.912  1.00  0.00           O  
HETATM   17  O7  UNL     1       3.159   2.812   0.507  1.00  0.00           O  
HETATM   18  C10 UNL     1      -0.138  -0.449  -0.356  1.00  0.00           C  
HETATM   19  N1  UNL     1      -0.616   0.683   0.190  1.00  0.00           N  
HETATM   20  H1  UNL     1      -1.540   3.940   0.752  1.00  0.00           H  
HETATM   21  H2  UNL     1      -3.739  -0.266   0.882  1.00  0.00           H  
HETATM   22  H3  UNL     1      -1.142  -3.565  -1.103  1.00  0.00           H  
HETATM   23  H4  UNL     1       1.219  -3.688  -1.916  1.00  0.00           H  
HETATM   24  H5  UNL     1       2.680  -1.664  -1.695  1.00  0.00           H  
HETATM   25  H6  UNL     1       3.899   2.889  -0.167  1.00  0.00           H  
HETATM   26  H7  UNL     1       0.015   1.518   0.272  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   20
CONECT    4    5    5   19
CONECT    5    6   21
CONECT    6    7    7    8
CONECT    8    9    9   18
CONECT    9   10   22
CONECT   10   11   11   23
CONECT   11   12   24
CONECT   12   13   18   18
CONECT   13   14
CONECT   14   15   15   16   16
CONECT   14   17
CONECT   17   25
CONECT   18   19
CONECT   19   26
END