COMPND    HMDB0000192
HETATM    1  N1  UNL     1       2.448   0.412  -0.629  1.00  0.00           N  
HETATM    2  C1  UNL     1       2.876   0.734   0.740  1.00  0.00           C  
HETATM    3  C2  UNL     1       1.710   0.374   1.629  1.00  0.00           C  
HETATM    4  S1  UNL     1       0.214   1.292   1.228  1.00  0.00           S  
HETATM    5  S2  UNL     1      -0.551   0.794  -0.684  1.00  0.00           S  
HETATM    6  C3  UNL     1      -1.701  -0.563  -0.653  1.00  0.00           C  
HETATM    7  C4  UNL     1      -2.989  -0.302   0.063  1.00  0.00           C  
HETATM    8  N2  UNL     1      -3.763  -1.550  -0.040  1.00  0.00           N  
HETATM    9  C5  UNL     1      -3.709   0.784  -0.622  1.00  0.00           C  
HETATM   10  O1  UNL     1      -4.804   0.540  -1.169  1.00  0.00           O  
HETATM   11  O2  UNL     1      -3.196   2.060  -0.669  1.00  0.00           O  
HETATM   12  C6  UNL     1       4.013  -0.147   1.091  1.00  0.00           C  
HETATM   13  O3  UNL     1       4.531  -0.033   2.221  1.00  0.00           O  
HETATM   14  O4  UNL     1       4.533  -1.091   0.230  1.00  0.00           O  
HETATM   15  H1  UNL     1       1.745  -0.367  -0.619  1.00  0.00           H  
HETATM   16  H2  UNL     1       3.262   0.025  -1.173  1.00  0.00           H  
HETATM   17  H3  UNL     1       3.150   1.788   0.785  1.00  0.00           H  
HETATM   18  H4  UNL     1       1.517  -0.706   1.611  1.00  0.00           H  
HETATM   19  H5  UNL     1       1.979   0.628   2.678  1.00  0.00           H  
HETATM   20  H6  UNL     1      -1.207  -1.422  -0.108  1.00  0.00           H  
HETATM   21  H7  UNL     1      -1.927  -0.877  -1.681  1.00  0.00           H  
HETATM   22  H8  UNL     1      -2.854  -0.097   1.144  1.00  0.00           H  
HETATM   23  H9  UNL     1      -3.798  -1.797  -1.067  1.00  0.00           H  
HETATM   24  H10 UNL     1      -3.188  -2.319   0.397  1.00  0.00           H  
HETATM   25  H11 UNL     1      -3.804   2.843  -0.850  1.00  0.00           H  
HETATM   26  H12 UNL     1       5.512  -1.004  -0.051  1.00  0.00           H  
CONECT    1    2   15   16
CONECT    2    3   12   17
CONECT    3    4   18   19
CONECT    4    5
CONECT    5    6
CONECT    6    7   20   21
CONECT    7    8    9   22
CONECT    8   23   24
CONECT    9   10   10   11
CONECT   11   25
CONECT   12   13   13   14
CONECT   14   26
END