Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : ID5

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 38


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C2 C C2 N Y N 0 -1.644 -0.002 4.843
2 C3 C C3 N Y N 0 -1.972 -0.173 2.086
3 C4 C C4 N Y N 0 -0.528 0.009 4.021
4 C5 C C5 N Y N 0 -2.91 -0.099 4.292
5 C6 C C6 N Y N 0 -3.071 -0.184 2.915
6 C7 C C7 N Y N 0 -0.688 -0.071 2.63
7 F8 F F8 N N N 0 -0.681 1.887 -7.202
8 F9 F F9 N N N 0 -3.994 -0.111 5.097
9 C11 C C11 N N N 0 0.491 -0.058 1.747
10 C13 C C13 N Y N 0 1.061 -0.24 -1.901
11 F14 F F14 N N N 0 -0.103 -2.626 -5.892
12 O15 O O15 N N N 0 0.712 0.104 4.559
13 O16 O O16 N N N 0 1.606 0.031 2.223
14 C18 C C18 N N N 0 1.507 -0.132 -0.466
15 C20 C C20 N N N 0 0.543 0.174 5.977
16 N21 N N21 N Y N 0 0.761 0.719 -2.729
17 S22 S S22 N Y N 0 0.817 -1.675 -2.848
18 F23 F F23 N N N 0 0.057 2.737 -4.743
19 C24 C C24 N Y N 0 0.315 -0.88 -4.354
20 C25 C C25 N Y N 0 -0.351 0.979 -6.258
21 C26 C C26 N Y N 0 0.375 0.485 -4.002
22 C27 C C27 N Y N 0 -0.062 -1.306 -5.606
23 C28 C C28 N Y N 0 -0.399 -0.373 -6.571
24 C29 C C29 N Y N 0 0.024 1.413 -5.01
25 C32 C C32 N N N 0 1.893 0.282 6.638
26 O33 O O33 N N N 0 1.98 0.361 7.975
27 O34 O O34 N N N 0 2.896 0.296 5.965
28 N36 N N36 N N N 0 0.334 -0.144 0.411
29 H2 H H2 N N N 0 -1.526 0.063 5.914
30 H3 H H3 N N N 0 -2.101 -0.24 1.016
31 H6 H H6 N N N 0 -4.062 -0.26 2.494
32 H181 H 1H18 N N N 0 2.056 0.799 -0.325
33 H182 H 2H18 N N N 0 2.153 -0.975 -0.221
34 H201 H 1H20 N N N 0 0.037 -0.724 6.327
35 H202 H 2H20 N N N 0 -0.054 1.05 6.228
36 H28 H H28 N N N 0 -0.697 -0.694 -7.558
37 H33 H H33 N N N 0 2.846 0.43 8.4
38 H36 H H36 N N N 0 -0.555 -0.216 0.031