Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : HWQ

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 45


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 -2.897 -1.649 0.004
2 C2 C C2 N N N 0 -4.309 -2.182 -0.246
3 C3 C C3 N N N 0 -4.293 -3.653 -0.201
4 C4 C C4 N Y N 0 -1.625 0.33 -0.042
5 C5 C C5 N Y N 0 0.658 0.0 -0.018
6 C6 C C6 N Y N 0 -0.098 2.197 -0.087
7 C7 C C7 N Y N 0 -0.039 3.599 -0.129
8 N1 N N1 N N N 0 -4.281 -4.789 -0.166
9 N2 N N2 N Y N 0 -0.578 -0.484 -0.011
10 N3 N N3 N Y N 0 0.907 1.291 -0.055
11 C9 C C8 N Y N 0 -1.409 1.717 -0.081
12 C8 C C9 N Y N 0 -1.206 4.224 -0.154
13 N N N4 N N N 0 -2.913 -0.181 -0.04
14 C C C10 N N N 0 -3.697 0.371 1.072
15 S S S1 N Y N 0 -2.529 3.071 -0.128
16 N4 N N5 N N N 0 1.723 -0.886 0.015
17 C10 C C11 N N N 0 1.474 -2.329 0.056
18 C11 C C12 N N N 0 3.098 -0.38 0.007
19 C15 C C13 N N N 0 3.82 -0.842 1.276
20 C14 C C14 N N N 0 5.273 -0.362 1.233
21 N5 N N6 N N N 0 5.936 -0.909 0.043
22 C13 C C15 N N N 0 5.288 -0.44 -1.189
23 C12 C C16 N N N 0 3.836 -0.923 -1.219
24 H1 H H1 N N N 0 -2.553 -1.979 0.984
25 H2 H H2 N N N 0 -2.224 -2.029 -0.764
26 H3 H H3 N N N 0 -4.982 -1.802 0.523
27 H4 H H4 N N N 0 -4.654 -1.852 -1.226
28 H5 H H5 N N N 0 0.899 4.134 -0.14
29 H6 H H6 N N N 0 -1.327 5.297 -0.187
30 H7 H H7 N N N 0 -3.258 0.055 2.019
31 H8 H H8 N N N 0 -3.692 1.46 1.015
32 H9 H H9 N N N 0 -4.723 0.009 1.009
33 H10 H H10 N N N 0 1.418 -2.718 -0.961
34 H11 H H11 N N N 0 2.287 -2.823 0.59
35 H12 H H12 N N N 0 0.533 -2.521 0.571
36 H13 H H13 N N N 0 3.084 0.71 -0.027
37 H14 H H14 N N N 0 3.323 -0.423 2.151
38 H15 H H15 N N N 0 3.798 -1.931 1.331
39 H16 H H16 N N N 0 5.294 0.727 1.192
40 H17 H H17 N N N 0 5.794 -0.702 2.128
41 H18 H H18 N N N 0 5.964 -1.917 0.076
42 H20 H H20 N N N 0 5.31 0.649 -1.218
43 H21 H H21 N N N 0 5.821 -0.837 -2.053
44 H22 H H22 N N N 0 3.815 -2.013 -1.203
45 H23 H H23 N N N 0 3.352 -0.562 -2.126