Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : O3A

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 31


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 N1 N N1 N N N 0 0.342 0.425 -0.554
2 C4 C C1 N N N 0 -2.971 -1.295 0.079
3 C5 C C2 N N N 0 -4.311 -0.577 0.342
4 C6 C C3 N N N 0 -2.552 1.051 0.392
5 C7 C C4 N Y N 0 1.678 0.206 -0.2
6 C8 C C5 N Y N 0 2.363 -0.888 -0.714
7 C10 C C6 N Y N 0 4.319 -0.228 0.5
8 C1 C C7 N N N 0 -0.023 1.603 -1.346
9 C11 C C8 N Y N 0 3.641 0.865 1.008
10 C12 C C9 N Y N 0 2.323 1.084 0.66
11 C2 C C10 N N N 0 -0.609 -0.45 -0.171
12 C3 C C11 S N N 0 -2.061 -0.154 -0.448
13 C9 C C12 N Y N 0 3.681 -1.102 -0.362
14 N2 N N2 N N N 0 -4.012 0.857 0.514
15 O1 O O1 N N N 0 -0.297 -1.475 0.396
16 H1 H H1 N N N 0 -2.569 -1.713 1.002
17 H2 H H2 N N N 0 -3.092 -2.073 -0.674
18 H3 H H3 N N N 0 -4.98 -0.717 -0.507
19 H4 H H4 N N N 0 -4.771 -0.971 1.248
20 H5 H H5 N N N 0 -2.085 1.042 1.377
21 H6 H H6 N N N 0 -2.333 1.987 -0.122
22 H7 H H7 N N N 0 1.865 -1.571 -1.386
23 H11 H H11 N N N 0 -0.893 1.372 -1.96
24 H8 H H8 N N N 0 5.35 -0.397 0.772
25 H9 H H9 N N N 0 -0.258 2.431 -0.678
26 H10 H H10 N N N 0 0.813 1.881 -1.989
27 H12 H H12 N N N 0 4.143 1.547 1.677
28 H13 H H13 N N N 0 1.794 1.938 1.057
29 H14 H H14 N N N 0 -2.226 0.018 -1.512
30 H15 H H15 N N N 0 4.214 -1.952 -0.761
31 H16 H H16 N N N 0 -4.509 1.413 -0.166