Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

PDBeChem : Atoms of Molecule

 Molecule : DD3

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 37


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C14 C C14 N Y N 0 2.305 0.049 0.461
2 C13 C C13 N N N 0 1.209 1.564 2.09
3 C12 C C12 S N N 0 1.119 0.95 0.692
4 C17 C C17 N Y N 0 4.482 -1.604 0.039
5 C16 C C16 N Y N 0 4.515 -0.291 -0.396
6 C15 C C15 N Y N 0 3.426 0.535 -0.185
7 N3 N N3 N Y N 0 -3.661 -1.821 -0.128
8 C10 C C10 N Y N 0 -1.212 0.862 0.24
9 C8 C C8 N Y N 0 -2.343 2.934 -0.232
10 C7 C C7 N Y N 0 -3.518 2.281 -0.467
11 C5 C C5 N Y N 0 -2.409 0.168 0.003
12 C4 C C4 N Y N 0 -2.494 -1.24 0.111
13 C19 C C19 N Y N 0 2.274 -1.261 0.901
14 C9 C C9 N Y N 0 -1.193 2.237 0.119
15 CL2 CL CL2 N N N 0 5.921 0.317 -1.213
16 C18 C C18 N Y N 0 3.362 -2.087 0.69
17 O11 O O11 N N N 0 -0.085 0.188 0.584
18 C6 C C6 N Y N 0 -3.576 0.887 -0.354
19 N1 N N1 N Y N 0 -4.711 0.206 -0.576
20 N22 N N22 N N N 0 -1.39 -1.99 0.456
21 C2 C C2 N Y N 0 -4.734 -1.108 -0.462
22 N21 N N21 N N N 0 -5.924 -1.773 -0.699
23 H13 H H13 N N N 0 2.128 2.145 2.173
24 H13A H H13A N N N 0 0.352 2.215 2.257
25 H13B H H13B N N N 0 1.214 0.77 2.837
26 H12 H H12 N N N 0 1.115 1.744 -0.054
27 H17 H H17 N N N 0 5.332 -2.249 -0.126
28 H15 H H15 N N N 0 3.451 1.56 -0.525
29 H8 H H8 N N N 0 -2.306 4.01 -0.321
30 H7 H H7 N N N 0 -4.402 2.839 -0.739
31 H19 H H19 N N N 0 1.4 -1.639 1.41
32 H9 H H9 N N N 0 -0.275 2.777 0.301
33 H18 H H18 N N N 0 3.336 -3.112 1.03
34 HN22 H HN22 N N N 0 -1.35 -2.931 0.223
35 HN2A H HN2A N N N 0 -0.652 -1.577 0.932
36 HN21 H HN21 N N N 0 -5.963 -2.739 -0.62
37 HN2B H HN2B N N N 0 -6.718 -1.274 -0.943