Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : IWD

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 23


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 N1 N N1 N Y N 0 -0.685 -0.451 1.255
2 C2 C C2 N Y N 0 -1.995 -0.156 1.161
3 O2 O O2 N N N 0 -2.689 -0.186 2.159
4 N3 N N3 N Y N 0 -2.544 0.183 -0.019
5 C4 C C4 N Y N 0 -1.789 0.222 -1.135
6 O4 O O4 N N N 0 -2.287 0.524 -2.204
7 C5 C C5 N Y N 0 -0.41 -0.092 -1.052
8 I5 I I5 N N N 0 0.794 -0.043 -2.765
9 C6 C C6 N Y N 0 0.116 -0.424 0.146
10 C7 C C7 N N N 0 -0.114 -0.812 2.555
11 C8 C C8 S N N 0 0.385 0.45 3.259
12 N8 N N8 N N N 0 1.415 1.096 2.434
13 C9 C C9 N N N 0 0.973 0.079 4.597
14 O91 O O91 N N N 0 2.147 -0.191 4.686
15 O92 O O92 N N N 0 0.192 0.051 5.688
16 H3 H H3 N N N 0 -3.489 0.397 -0.068
17 H6 H H6 N N N 0 1.165 -0.666 0.229
18 H71 H 1H7 N N N 0 0.717 -1.5 2.408
19 H72 H 2H7 N N N 0 -0.878 -1.291 3.167
20 H8 H H8 N N N 0 -0.446 1.138 3.406
21 H81 H 1H8 N N N 0 2.161 0.426 2.325
22 H82 H 2H8 N N N 0 1.01 1.232 1.52
23 H92O H OH92 N N N 0 0.569 -0.186 6.546