Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : AQ4

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 52


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N N N 0 -7.425 1.976 -1.471
2 C2 C C2 N N N 0 -6.787 1.093 -1.032
3 C3 C C3 N Y N 0 -6.01 0.016 -0.496
4 C4 C C4 N Y N 0 -4.622 0.119 -0.435
5 C5 C C5 N Y N 0 -3.876 -0.928 0.086
6 N1 N N1 N N N 0 -2.483 -0.829 0.15
7 C6 C C6 N Y N 0 -1.886 0.398 0.365
8 C7 C C7 N Y N 0 -0.48 0.54 0.317
9 C8 C C8 N Y N 0 0.366 -0.544 0.051
10 C9 C C9 N Y N 0 1.718 -0.355 0.015
11 O1 O O1 N N N 0 2.538 -1.408 -0.242
12 C10 C C10 N N N 0 1.916 -2.676 -0.464
13 C11 C C11 N N N 0 2.991 -3.73 -0.735
14 O2 O O2 N N N 0 3.795 -3.903 0.433
15 C12 C C12 N N N 0 4.835 -4.872 0.285
16 C13 C C13 N Y N 0 2.27 0.914 0.241
17 O3 O O3 N N N 0 3.618 1.078 0.199
18 C14 C C14 N N N 0 4.119 2.395 0.437
19 C15 C C15 N N N 0 5.646 2.383 0.35
20 O4 O O4 N N N 0 6.045 2.062 -0.985
21 C16 C C16 N N N 0 7.46 2.024 -1.175
22 C17 C C17 N Y N 0 1.46 1.997 0.503
23 C18 C C18 N Y N 0 0.071 1.825 0.545
24 N2 N N2 N Y N 0 -0.762 2.848 0.797
25 C19 C C19 N Y N 0 -2.059 2.656 0.829
26 N3 N N3 N Y N 0 -2.618 1.476 0.616
27 C20 C C20 N Y N 0 -4.513 -2.074 0.544
28 C21 C C21 N Y N 0 -5.89 -2.176 0.483
29 C22 C C22 N Y N 0 -6.642 -1.138 -0.028
30 H1 H H1 N N N 0 -7.995 2.766 -1.864
31 H2 H H2 N N N 0 -4.128 1.011 -0.792
32 H3 H H3 N N N 0 -1.935 -1.622 0.044
33 H4 H H4 N N N 0 -0.049 -1.526 -0.123
34 H5 H H5 N N N 0 1.344 -2.959 0.42
35 H6 H H6 N N N 0 1.249 -2.608 -1.322
36 H7 H H7 N N N 0 2.514 -4.677 -0.992
37 H8 H H8 N N N 0 3.619 -3.404 -1.564
38 H9 H H9 N N N 0 4.397 -5.842 0.05
39 H10 H H10 N N N 0 5.501 -4.569 -0.522
40 H11 H H11 N N N 0 5.399 -4.944 1.215
41 H12 H H12 N N N 0 3.718 3.077 -0.313
42 H13 H H13 N N N 0 3.814 2.726 1.43
43 H14 H H14 N N N 0 6.034 3.366 0.618
44 H15 H H15 N N N 0 6.044 1.636 1.037
45 H16 H H16 N N N 0 7.885 3.0 -0.939
46 H17 H H17 N N N 0 7.895 1.27 -0.52
47 H18 H H18 N N N 0 7.681 1.774 -2.213
48 H19 H H19 N N N 0 1.893 2.971 0.676
49 H20 H H20 N N N 0 -2.7 3.501 1.034
50 H21 H H21 N N N 0 -3.931 -2.889 0.949
51 H22 H H22 N N N 0 -6.38 -3.07 0.84
52 H23 H H23 N N N 0 -7.717 -1.221 -0.074