Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : IIV

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 28


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C4 C C1 N N N 0 -2.502 1.153 0.559
2 C5 C C2 N N N 0 -3.442 2.228 0.075
3 C6 C C3 N N N 0 -1.197 -0.839 -0.131
4 C7 C C4 N N N 0 1.114 -1.487 0.285
5 C8 C C5 N N N 0 2.456 -0.892 0.173
6 C9 C C6 N N N 0 3.526 -0.418 0.084
7 N1 N N1 N N N 0 -3.471 -0.534 -0.923
8 N2 N N2 N N N 0 -3.825 3.214 0.91
9 C3 C C7 S N N 0 -2.23 0.164 -0.576
10 N3 N N3 N N N 0 0.11 -0.512 -0.148
11 C1 C C8 N N N 0 -5.388 -1.989 -0.352
12 C2 C C9 N N N 0 -4.112 -1.271 0.005
13 O1 O O1 N N N 0 -3.661 -1.357 1.128
14 O2 O O2 N N N 0 -3.853 2.204 -1.065
15 O3 O O3 N N N 0 -1.543 -1.94 0.242
16 BR1 BR BR1 N N N 0 5.258 0.351 -0.059
17 H1 H H1 N N N 0 -1.564 1.608 0.878
18 H2 H H2 N N N 0 -2.955 0.627 1.4
19 H3 H H3 N N N 0 1.056 -2.373 -0.348
20 H4 H H4 N N N 0 0.926 -1.768 1.321
21 H5 H H5 N N N 0 -3.831 -0.465 -1.821
22 H6 H H6 N N N 0 -3.496 3.233 1.822
23 H7 H H7 N N N 0 -4.429 3.906 0.598
24 H8 H H8 N N N 0 -1.861 0.704 -1.447
25 H9 H H9 N N N 0 0.386 0.368 -0.446
26 H10 H H10 N N N 0 -5.152 -2.988 -0.719
27 H11 H H11 N N N 0 -6.021 -2.067 0.532
28 H12 H H12 N N N 0 -5.913 -1.431 -1.127