Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : K44

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 24


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N Y N 0 -1.234 -0.402 -0.006
2 C2 C C2 N Y N 0 -0.759 0.902 -0.001
3 C3 C C3 N Y N 0 0.598 1.152 -0.048
4 C4 C C4 N Y N 0 -0.357 -1.465 -0.059
5 N5 N N5 N Y N 0 2.106 -2.041 -0.166
6 C6 C C6 N Y N 0 1.02 -1.227 -0.108
7 C7 C C7 N Y N 0 1.494 0.094 -0.101
8 N8 N N8 N Y N 0 2.875 0.006 -0.152
9 C9 C C9 N Y N 0 3.207 -1.317 -0.197
10 N10 N N10 R N N 0 4.582 -1.49 -0.263
11 C11 C C11 N N N 0 4.929 -2.501 0.744
12 C12 C C12 N N N 0 4.107 0.813 -0.172
13 C14 C C14 N N N 0 5.203 -0.221 0.176
14 BR10 BR BR10 N N N 0 -1.015 -3.238 -0.065
15 BR11 BR BR11 N N N 0 -3.096 -0.724 0.06
16 BR12 BR BR12 N N N 0 -1.979 2.346 0.071
17 BR13 BR BR13 N N N 0 1.235 2.933 -0.039
18 H111 H 1H11 N N N 0 4.54 -2.195 1.716
19 H112 H 2H11 N N N 0 4.492 -3.459 0.464
20 H113 H 3H11 N N N 0 6.013 -2.599 0.801
21 H121 H 1H12 N N N 0 4.065 1.599 0.582
22 H122 H 2H12 N N N 0 4.276 1.234 -1.163
23 H141 H 1H14 N N N 0 5.399 -0.234 1.249
24 H142 H 2H14 N N N 0 6.118 -0.021 -0.382