Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

PDBeChem : Atoms of Molecule

 Molecule : BTS

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 C5 C C5 N Y N 0 2.322 0.0 -5.187
2 C4 C C4 N Y N 0 2.081 0.0 -3.838
3 C6 C C6 N Y N 0 1.285 0.0 -6.108
4 N3 N N3 N Y N 0 0.353 0.005 -2.051
5 C2 C C2 N Y N 0 -0.916 0.0 -1.711
6 S1 S S1 N Y N 0 -1.736 0.0 -3.3
7 C7A C C7A N Y N 0 -0.272 0.0 -4.307
8 C3A C C3A N Y N 0 0.758 0.0 -3.34
9 C7 C C7 N Y N 0 -0.022 0.0 -5.655
10 S2 S S2 N N N 0 -1.629 0.0 -0.1
11 C1 C C1 N N N 0 -0.126 0.0 0.908
12 C8 C C8 N N N 0 -0.507 0.0 2.39
13 O3 O O3 N N N 0 -0.249 1.243 5.396
14 C9 C C9 N N N 0 0.763 0.0 3.242
15 S3 S S3 N N N 0 0.312 0.0 4.999
16 O2 O O2 N N N 0 -0.249 -1.243 5.396
17 H6 H H6 N N N 0 1.495 0.0 -7.167
18 O4 O O4 N N N 0 1.661 0.0 5.704
19 H5 H H5 N N N 0 3.342 0.0 -5.542
20 H4 H H4 N N N 0 2.912 -0.001 -3.147
21 H7 H H7 N N N 0 -0.841 0.0 -6.36
22 H11 H 1H1 N N N 0 0.461 0.889 0.684
23 H12 H 2H1 N N N 0 0.461 -0.89 0.684
24 H92 H 2H9 N N N 0 1.351 -0.89 3.018
25 H81 H 1H8 N N N 0 -1.095 -0.89 2.614
26 H82 H 2H8 N N N 0 -1.095 0.889 2.614
27 H91 H 1H9 N N N 0 1.351 0.889 3.018
28 HO4 H HO4 N N N 0 1.481 0.0 6.654