Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : AAA

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 39


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N Y N 0 0.076 0.792 3.157
2 C1A C C1A N N N 0 1.376 1.459 3.038
3 C1B C C1B N N N 0 1.912 2.274 4.188
4 O1B O O1B N N N 0 2.02 1.356 2.015
5 C2 C C2 N Y N 0 -0.617 0.809 4.373
6 C3 C C3 N Y N 0 -1.837 0.18 4.476
7 C4 C C4 N Y N 0 -2.385 -0.471 3.381
8 C4A C C4A N N N 0 -3.722 -1.154 3.51
9 C5 C C5 N Y N 0 -1.716 -0.498 2.176
10 C6 C C6 N Y N 0 -0.485 0.134 2.047
11 N7 N N7 N N N 0 0.189 0.108 0.836
12 C8 C C8 S N N 0 -0.463 -0.442 -0.353
13 C8A C C8A N N N 0 -0.375 -1.946 -0.323
14 N8B N N8B N N N 0 0.391 -2.558 0.6
15 O8B O O8B N N N 0 -0.994 -2.606 -1.13
16 C9 C C9 N Y N 0 0.225 0.076 -1.589
17 C10 C C10 N Y N 0 -0.519 0.616 -2.621
18 BR1 BR BR1 N N N 0 -2.403 0.705 -2.482
19 C11 C C11 N Y N 0 0.112 1.093 -3.755
20 C12 C C12 N Y N 0 1.489 1.028 -3.858
21 C13 C C13 N Y N 0 2.235 0.488 -2.827
22 C14 C C14 N Y N 0 1.603 0.016 -1.69
23 BR2 BR BR2 N N N 0 2.623 -0.721 -0.279
24 H1B1 H 1H1B N N N 0 2.883 2.69 3.916
25 H1B2 H 2H1B N N N 0 1.22 3.084 4.413
26 H1B3 H 3H1B N N N 0 2.023 1.636 5.064
27 H2 H H2 N N N 0 -0.195 1.314 5.229
28 H3 H H3 N N N 0 -2.37 0.194 5.415
29 H4A1 H 1H4A N N N 0 -4.515 -0.451 3.26
30 H4A2 H 2H4A N N N 0 -3.762 -2.005 2.83
31 H4A3 H 3H4A N N N 0 -3.855 -1.503 4.535
32 H5 H H5 N N N 0 -2.151 -1.008 1.329
33 HN7 H HN7 N N N 0 1.092 0.455 0.777
34 H8 H H8 N N N 0 -1.51 -0.139 -0.367
35 HN81 H 1HN8 N N N 0 0.602 -3.5 0.509
36 HN82 H 2HN8 N N N 0 0.732 -2.056 1.357
37 H11 H H11 N N N 0 -0.469 1.515 -4.561
38 H12 H H12 N N N 0 1.983 1.4 -4.744
39 H13 H H13 N N N 0 3.311 0.437 -2.907