COMPND    HMDB0014952
HETATM    1  C1  UNL     1       6.580   2.044  -0.180  1.00  0.00           C  
HETATM    2  C2  UNL     1       5.424   1.090  -0.093  1.00  0.00           C  
HETATM    3  C3  UNL     1       5.456  -0.268   0.084  1.00  0.00           C  
HETATM    4  N1  UNL     1       4.333  -0.903   0.130  1.00  0.00           N  
HETATM    5  C4  UNL     1       3.202  -0.243   0.008  1.00  0.00           C  
HETATM    6  N2  UNL     1       1.882  -0.805   0.038  1.00  0.00           N  
HETATM    7  C5  UNL     1       0.788   0.061  -0.110  1.00  0.00           C  
HETATM    8  O1  UNL     1       1.107   1.302  -0.267  1.00  0.00           O  
HETATM    9  C6  UNL     1      -0.613  -0.282  -0.101  1.00  0.00           C  
HETATM   10  C7  UNL     1      -1.476   0.733  -0.321  1.00  0.00           C  
HETATM   11  O2  UNL     1      -0.975   2.040  -0.523  1.00  0.00           O  
HETATM   12  C8  UNL     1      -2.909   0.602  -0.395  1.00  0.00           C  
HETATM   13  C9  UNL     1      -3.727   1.739  -0.499  1.00  0.00           C  
HETATM   14  C10 UNL     1      -5.089   1.660  -0.471  1.00  0.00           C  
HETATM   15  C11 UNL     1      -5.752   0.464  -0.339  1.00  0.00           C  
HETATM   16  C12 UNL     1      -4.929  -0.659  -0.238  1.00  0.00           C  
HETATM   17  C13 UNL     1      -3.584  -0.581  -0.268  1.00  0.00           C  
HETATM   18  S1  UNL     1      -2.639  -2.068  -0.269  1.00  0.00           S  
HETATM   19  O3  UNL     1      -3.227  -3.113   0.596  1.00  0.00           O  
HETATM   20  O4  UNL     1      -2.475  -2.512  -1.704  1.00  0.00           O  
HETATM   21  N3  UNL     1      -1.066  -1.563   0.267  1.00  0.00           N  
HETATM   22  C14 UNL     1      -0.295  -2.432   1.126  1.00  0.00           C  
HETATM   23  S2  UNL     1       3.730   1.368  -0.184  1.00  0.00           S  
HETATM   24  H1  UNL     1       6.371   2.816  -0.932  1.00  0.00           H  
HETATM   25  H2  UNL     1       6.686   2.524   0.826  1.00  0.00           H  
HETATM   26  H3  UNL     1       7.468   1.420  -0.412  1.00  0.00           H  
HETATM   27  H4  UNL     1       6.435  -0.784   0.182  1.00  0.00           H  
HETATM   28  H5  UNL     1       1.837  -1.821   0.168  1.00  0.00           H  
HETATM   29  H6  UNL     1      -0.727   2.302  -1.468  1.00  0.00           H  
HETATM   30  H7  UNL     1      -3.221   2.706  -0.606  1.00  0.00           H  
HETATM   31  H8  UNL     1      -5.684   2.560  -0.554  1.00  0.00           H  
HETATM   32  H9  UNL     1      -6.827   0.372  -0.312  1.00  0.00           H  
HETATM   33  H10 UNL     1      -5.471  -1.601  -0.134  1.00  0.00           H  
HETATM   34  H11 UNL     1       0.155  -3.292   0.606  1.00  0.00           H  
HETATM   35  H12 UNL     1       0.325  -1.922   1.866  1.00  0.00           H  
HETATM   36  H13 UNL     1      -1.090  -2.955   1.790  1.00  0.00           H  
CONECT    1    2   24   25   26
CONECT    2    3    3   23
CONECT    3    4   27
CONECT    4    5    5
CONECT    5    6   23
CONECT    6    7   28
CONECT    7    8    8    9
CONECT    9   10   10   21
CONECT   10   11   12
CONECT   11   29
CONECT   12   13   13   17
CONECT   13   14   30
CONECT   14   15   15   31
CONECT   15   16   32
CONECT   16   17   17   33
CONECT   17   18
CONECT   18   19   19   20   20
CONECT   18   21
CONECT   21   22
CONECT   22   34   35   36
END