Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : QQ3

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 42


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C8 C C8 N N N 0 3.27 3.355 2.156
2 C7 C C7 N N N 0 2.64 1.976 1.95
3 C6 C C6 N N N 0 3.277 1.3 0.735
4 C5 C C5 R N N 0 2.647 -0.079 0.529
5 C12 C C12 N N N 0 3.369 -0.806 -0.608
6 C18 C C18 N N N 0 2.831 -2.208 -0.729
7 O4 O O4 N N N 0 3.319 -3.036 -1.666
8 O3 O O3 N N N 0 1.959 -2.588 0.017
9 N1 N N1 N N N 0 1.231 0.077 0.187
10 C4 C C4 N N N 0 0.774 0.743 -0.889
11 O1 O O1 N N N 0 1.461 1.302 -1.72
12 C3 C C3 N Y N 0 -0.702 0.68 -0.892
13 C10 C C10 N Y N 0 -1.705 1.172 -1.732
14 C14 C C14 N N N 0 -1.322 1.966 -2.954
15 N2 N N2 N Y N 0 -2.973 0.954 -1.477
16 C11 C C11 N Y N 0 -3.376 0.257 -0.411
17 C15 C C15 N Y N 0 -4.744 0.042 -0.166
18 C17 C C17 N Y N 0 -5.132 -0.671 0.926
19 C16 C C16 N Y N 0 -4.194 -1.195 1.814
20 C13 C C13 N Y N 0 -2.86 -1.008 1.612
21 C9 C C9 N Y N 0 -2.421 -0.279 0.496
22 C1 C C1 N Y N 0 -1.056 -0.059 0.245
23 C2 C C2 N N N 0 0.211 -0.431 0.905
24 O2 O O2 N N N 0 0.316 -1.083 1.923
25 H81C H H81C N N N 0 4.342 3.243 2.322
26 H82C H H82C N N N 0 3.102 3.967 1.27
27 H83C H H83C N N N 0 2.816 3.836 3.022
28 H71C H H71C N N N 0 2.808 1.364 2.836
29 H72C H H72C N N N 0 1.569 2.087 1.784
30 H61C H H61C N N N 0 3.109 1.912 -0.151
31 H62C H H62C N N N 0 4.349 1.188 0.901
32 H5 H H5 N N N 0 2.737 -0.66 1.447
33 H121 H H121 N N N 0 3.204 -0.271 -1.543
34 H122 H H122 N N N 0 4.437 -0.844 -0.394
35 H4 H H4 N N N 0 2.943 -3.925 -1.706
36 H141 H H141 N N N 0 -1.192 1.292 -3.8
37 H142 H H142 N N N 0 -2.109 2.686 -3.18
38 H143 H H143 N N N 0 -0.388 2.496 -2.765
39 H15 H H15 N N N 0 -5.485 0.441 -0.843
40 H17 H H17 N N N 0 -6.184 -0.832 1.109
41 H16 H H16 N N N 0 -4.529 -1.756 2.674
42 H13 H H13 N N N 0 -2.144 -1.419 2.307