Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 67I

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 27


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 BR1 BR BR1 N N N 0 -1.192 -3.307 0.08
2 BR2 BR BR2 N N N 0 -3.405 1.899 -0.245
3 C C C1 N N N 0 5.181 0.348 -0.25
4 CA C C2 S N N 0 3.727 0.664 -0.485
5 CB C C3 N N N 0 3.036 0.916 0.857
6 CD1 C C11 N Y N 0 1.164 2.615 0.558
7 CD2 C C5 N Y N 0 0.458 0.476 0.405
8 CE2 C C10 N Y N 0 -0.647 1.327 0.224
9 CE3 C C6 N Y N 0 0.285 -0.909 0.361
10 CG C C4 N Y N 0 1.614 1.351 0.615
11 CH2 C C8 N Y N 0 -2.053 -0.595 -0.04
12 CZ2 C C9 N Y N 0 -1.905 0.775 0.001
13 CZ3 C C7 N Y N 0 -0.959 -1.431 0.14
14 H1 H H1 N N N 0 6.98 1.089 0.112
15 H10 H H10 N N N 0 -0.73 3.417 0.233
16 H11 H H11 N N N 0 1.777 3.497 0.675
17 H2 H H2 N N N 0 3.645 1.554 -1.109
18 H3 H H3 N N N 0 3.145 -1.307 -0.604
19 H4 H H4 N N N 0 2.123 -0.257 -1.389
20 H6 H H6 N N N 0 3.04 -0.002 1.445
21 H7 H H7 N N N 0 3.569 1.697 1.398
22 H8 H H8 N N N 0 1.132 -1.565 0.499
23 H9 H H9 N N N 0 -3.03 -1.022 -0.213
24 N N N1 N N N 0 3.083 -0.469 -1.163
25 NE1 N N2 N Y N 0 -0.183 2.621 0.319
26 O O O2 N N N 0 6.057 1.341 -0.03
27 OXT O O1 N N N 0 5.56 -0.799 -0.264