Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : JWK

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 37


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 -3.779 -1.396 -0.008
2 C2 C C2 N N N 0 -3.421 -2.203 -1.258
3 C3 C C3 N Y N 0 -3.003 -0.103 -0.006
4 C7 C C4 N Y N 0 1.124 0.038 -0.001
5 C8 C C5 N Y N 0 0.505 -1.221 -0.003
6 C9 C C6 N Y N 0 -0.857 -1.309 -0.005
7 C10 C C7 N Y N 0 -1.597 -0.113 -0.004
8 C11 C C8 N Y N 0 2.605 0.118 0.0
9 C12 C C9 N Y N 0 3.258 1.355 0.002
10 C13 C C10 N Y N 0 4.637 1.385 0.002
11 C14 C C11 N Y N 0 4.764 -0.921 0.005
12 C15 C C12 N Y N 0 3.385 -1.041 0.004
13 F F F1 N N N 0 5.53 -2.033 0.003
14 N3 N N1 N Y N 0 5.339 0.268 0.001
15 N2 N N2 N Y N 0 0.419 1.154 -0.001
16 O O O1 N N N 0 -5.179 -1.111 -0.01
17 C C C13 N N N 0 -3.425 -2.205 1.241
18 C6 C C14 N Y N 0 -0.912 1.128 -0.002
19 C5 C C15 N Y N 0 -1.681 2.317 -0.002
20 N1 N N3 N N N 0 -1.052 3.551 0.0
21 N N N4 N Y N 0 -2.997 2.246 -0.004
22 C4 C C16 N Y N 0 -3.653 1.093 -0.011
23 H1 H H1 N N N 0 -2.338 -2.317 -1.319
24 H2 H H2 N N N 0 -3.888 -3.186 -1.201
25 H3 H H3 N N N 0 -3.781 -1.68 -2.144
26 H4 H H4 N N N 0 1.105 -2.119 -0.004
27 H5 H H5 N N N 0 -1.352 -2.268 -0.007
28 H6 H H6 N N N 0 2.69 2.273 0.002
29 H7 H H7 N N N 0 5.149 2.336 0.003
30 H8 H H8 N N N 0 2.92 -2.015 0.008
31 H9 H H9 N N N 0 -5.478 -0.601 0.755
32 H10 H H10 N N N 0 -2.343 -2.325 1.301
33 H11 H H11 N N N 0 -3.783 -1.681 2.127
34 H12 H H12 N N N 0 -3.896 -3.186 1.183
35 H13 H H13 N N N 0 -0.083 3.601 0.001
36 H14 H H14 N N N 0 -1.58 4.364 0.0
37 H15 H H15 N N N 0 -4.733 1.104 -0.012