COMPND    HMDB0253714
HETATM    1  C1  UNL     1       6.533   0.037   0.513  1.00  0.00           C  
HETATM    2  C2  UNL     1       5.102  -0.320   0.570  1.00  0.00           C  
HETATM    3  C3  UNL     1       4.171  -0.114  -0.416  1.00  0.00           C  
HETATM    4  C4  UNL     1       2.973  -0.606   0.084  1.00  0.00           C  
HETATM    5  N1  UNL     1       1.867  -0.580  -0.579  1.00  0.00           N  
HETATM    6  C5  UNL     1       0.650  -1.066  -0.102  1.00  0.00           C  
HETATM    7  O1  UNL     1       0.677  -2.212   0.441  1.00  0.00           O  
HETATM    8  C6  UNL     1      -0.646  -0.388  -0.169  1.00  0.00           C  
HETATM    9  C7  UNL     1      -1.702  -0.994   0.333  1.00  0.00           C  
HETATM   10  O2  UNL     1      -1.566  -2.274   0.919  1.00  0.00           O  
HETATM   11  C8  UNL     1      -3.042  -0.446   0.338  1.00  0.00           C  
HETATM   12  C9  UNL     1      -4.103  -1.183   0.902  1.00  0.00           C  
HETATM   13  C10 UNL     1      -5.384  -0.700   0.927  1.00  0.00           C  
HETATM   14  C11 UNL     1      -5.692   0.533   0.398  1.00  0.00           C  
HETATM   15  C12 UNL     1      -4.647   1.238  -0.149  1.00  0.00           C  
HETATM   16  C13 UNL     1      -3.361   0.778  -0.185  1.00  0.00           C  
HETATM   17  S1  UNL     1      -2.129   1.757  -0.901  1.00  0.00           S  
HETATM   18  O3  UNL     1      -2.427   2.111  -2.329  1.00  0.00           O  
HETATM   19  O4  UNL     1      -2.009   3.011  -0.059  1.00  0.00           O  
HETATM   20  N2  UNL     1      -0.639   0.890  -0.782  1.00  0.00           N  
HETATM   21  C14 UNL     1       0.572   1.447  -1.291  1.00  0.00           C  
HETATM   22  N3  UNL     1       3.235  -1.072   1.316  1.00  0.00           N  
HETATM   23  O5  UNL     1       4.499  -0.889   1.575  1.00  0.00           O  
HETATM   24  H1  UNL     1       7.184  -0.841   0.270  1.00  0.00           H  
HETATM   25  H2  UNL     1       6.740   0.802  -0.286  1.00  0.00           H  
HETATM   26  H3  UNL     1       6.878   0.514   1.464  1.00  0.00           H  
HETATM   27  H4  UNL     1       4.384   0.339  -1.362  1.00  0.00           H  
HETATM   28  H5  UNL     1      -1.615  -3.062   0.268  1.00  0.00           H  
HETATM   29  H6  UNL     1      -3.914  -2.160   1.333  1.00  0.00           H  
HETATM   30  H7  UNL     1      -6.194  -1.258   1.356  1.00  0.00           H  
HETATM   31  H8  UNL     1      -6.698   0.920   0.413  1.00  0.00           H  
HETATM   32  H9  UNL     1      -4.857   2.208  -0.572  1.00  0.00           H  
HETATM   33  H10 UNL     1       0.314   2.465  -1.723  1.00  0.00           H  
HETATM   34  H11 UNL     1       1.009   0.918  -2.162  1.00  0.00           H  
HETATM   35  H12 UNL     1       1.303   1.693  -0.493  1.00  0.00           H  
HETATM   36  H13 UNL     1       2.533  -1.499   1.934  1.00  0.00           H  
CONECT    1    2   24   25   26
CONECT    2    3    3   23
CONECT    3    4   27
CONECT    4    5    5   22
CONECT    5    6
CONECT    6    7    7    8
CONECT    8    9    9   20
CONECT    9   10   11
CONECT   10   28
CONECT   11   12   12   16
CONECT   12   13   29
CONECT   13   14   14   30
CONECT   14   15   31
CONECT   15   16   16   32
CONECT   16   17
CONECT   17   18   18   19   19
CONECT   17   20
CONECT   20   21
CONECT   21   33   34   35
CONECT   22   23   36
END