Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 452

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 39


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 4.001 -3.767 0.429
2 C2 C C2 N N N 0 2.923 -2.716 0.367
3 O1 O O1 N N N 0 1.756 -3.037 0.456
4 C3 C C3 N Y N 0 3.283 -1.305 0.197
5 C4 C C4 N Y N 0 4.629 -0.915 0.212
6 C5 C C5 N Y N 0 4.96 0.413 0.052
7 C6 C C6 N Y N 0 3.966 1.368 -0.124
8 C7 C C7 N Y N 0 2.635 0.998 -0.141
9 C8 C C8 N Y N 0 2.281 -0.335 0.013
10 N1 N N1 N N N 0 0.944 -0.709 -0.008
11 C9 C C9 N N N 0 -0.089 0.283 -0.315
12 C10 C C10 N N N 0 -1.445 -0.374 -0.274
13 O2 O O2 N N N 0 -1.538 -1.555 -0.014
14 N2 N N2 N N N 0 -2.553 0.35 -0.526
15 C11 C C11 N Y N 0 -3.811 -0.234 -0.4
16 C12 C C12 N Y N 0 -3.998 -1.566 -0.741
17 C13 C C13 N Y N 0 -5.246 -2.144 -0.615
18 C14 C C14 N Y N 0 -6.319 -1.401 -0.149
19 C15 C C15 N Y N 0 -6.151 -0.077 0.196
20 C16 C C16 N Y N 0 -4.894 0.52 0.079
21 C17 C C17 N N N 0 -4.707 1.933 0.45
22 O3 O O3 N N N 0 -5.723 2.626 1.0
23 O4 O O4 N N N 0 -3.635 2.475 0.261
24 CL1 CL CL1 N N N 0 4.399 3.037 -0.324
25 F1 F F1 N N N 0 6.258 0.788 0.066
26 H11 H 1H1 N N N 0 4.309 -3.91 1.465
27 H7 H H7 N N N 0 1.869 1.747 -0.277
28 H12A H 2H1 N N N 0 3.616 -4.706 0.032
29 H13A H 3H1 N N N 0 4.857 -3.445 -0.163
30 H4 H H4 N N N 0 5.405 -1.653 0.349
31 HN1 H HN1 N N N 0 0.694 -1.628 0.18
32 H91 H 1H9 N N N 0 -0.052 1.086 0.421
33 H92 H 2H9 N N N 0 0.085 0.694 -1.309
34 HN2 H HN2 N N N 0 -2.474 1.279 -0.796
35 H12 H H12 N N N 0 -3.167 -2.152 -1.106
36 H13 H H13 N N N 0 -5.387 -3.181 -0.883
37 H14 H H14 N N N 0 -7.291 -1.862 -0.054
38 H15 H H15 N N N 0 -6.991 0.497 0.559
39 HO3 H HO3 N N N 0 -5.553 3.55 1.227