COMPND    HMDB0014612
HETATM    1  C1  UNL     1       0.904   2.764  -1.114  1.00  0.00           C  
HETATM    2  N1  UNL     1       1.406   1.488  -0.607  1.00  0.00           N  
HETATM    3  C2  UNL     1       0.565   0.345  -0.672  1.00  0.00           C  
HETATM    4  C3  UNL     1      -0.672   0.402  -1.186  1.00  0.00           C  
HETATM    5  O1  UNL     1      -1.164   1.590  -1.670  1.00  0.00           O  
HETATM    6  N2  UNL     1      -1.496  -0.755  -1.242  1.00  0.00           N  
HETATM    7  C4  UNL     1      -2.617  -0.938  -0.386  1.00  0.00           C  
HETATM    8  C5  UNL     1      -2.959   0.004   0.546  1.00  0.00           C  
HETATM    9  C6  UNL     1      -4.028  -0.164   1.367  1.00  0.00           C  
HETATM   10  C7  UNL     1      -4.807  -1.309   1.280  1.00  0.00           C  
HETATM   11  C8  UNL     1      -4.416  -2.223   0.325  1.00  0.00           C  
HETATM   12  N3  UNL     1      -3.358  -2.050  -0.484  1.00  0.00           N  
HETATM   13  C9  UNL     1       1.064  -0.905  -0.171  1.00  0.00           C  
HETATM   14  O2  UNL     1       0.289  -1.914  -0.242  1.00  0.00           O  
HETATM   15  C10 UNL     1       2.390  -1.124   0.418  1.00  0.00           C  
HETATM   16  S1  UNL     1       3.137  -2.547   1.062  1.00  0.00           S  
HETATM   17  C11 UNL     1       4.634  -1.882   1.507  1.00  0.00           C  
HETATM   18  C12 UNL     1       4.517  -0.579   1.147  1.00  0.00           C  
HETATM   19  C13 UNL     1       3.347  -0.188   0.580  1.00  0.00           C  
HETATM   20  S2  UNL     1       2.974   1.473   0.030  1.00  0.00           S  
HETATM   21  O3  UNL     1       3.164   2.365   1.211  1.00  0.00           O  
HETATM   22  O4  UNL     1       3.936   1.834  -1.092  1.00  0.00           O  
HETATM   23  H1  UNL     1       0.742   2.764  -2.206  1.00  0.00           H  
HETATM   24  H2  UNL     1       0.059   3.162  -0.517  1.00  0.00           H  
HETATM   25  H3  UNL     1       1.700   3.557  -0.972  1.00  0.00           H  
HETATM   26  H4  UNL     1      -1.618   1.697  -2.575  1.00  0.00           H  
HETATM   27  H5  UNL     1      -1.264  -1.493  -1.940  1.00  0.00           H  
HETATM   28  H6  UNL     1      -2.331   0.895   0.594  1.00  0.00           H  
HETATM   29  H7  UNL     1      -4.300   0.585   2.107  1.00  0.00           H  
HETATM   30  H8  UNL     1      -5.665  -1.478   1.916  1.00  0.00           H  
HETATM   31  H9  UNL     1      -5.019  -3.124   0.247  1.00  0.00           H  
HETATM   32  H10 UNL     1       5.509  -2.363   1.976  1.00  0.00           H  
HETATM   33  H11 UNL     1       5.378   0.112   1.329  1.00  0.00           H  
CONECT    1    2   23   24   25
CONECT    2    3   20
CONECT    3    4    4   13
CONECT    4    5    6
CONECT    5   26
CONECT    6    7   27
CONECT    7    8    8   12
CONECT    8    9   28
CONECT    9   10   10   29
CONECT   10   11   30
CONECT   11   12   12   31
CONECT   13   14   14   15
CONECT   15   16   19   19
CONECT   16   17
CONECT   17   18   18   32
CONECT   18   19   33
CONECT   19   20
CONECT   20   21   21   22   22
END