Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 16O

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 42


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 R N N 0 -3.208 -0.209 0.416
2 N1 N N1 N N N 0 -1.862 -0.785 0.372
3 S1 S S1 N N N 0 -3.061 -3.142 0.623
4 BR1 BR BR1 N N N 0 6.738 1.338 -0.335
5 C2 C C2 R N N 0 -3.164 1.137 1.145
6 N2 N N2 N N N 0 -0.458 -2.65 0.42
7 O2 O O2 N N N 0 -2.742 0.934 2.495
8 C3 C C3 S N N 0 -4.563 1.76 1.134
9 N3 N N3 N N N 0 0.658 -1.814 0.287
10 O3 O O3 N N N 0 -4.516 3.049 1.75
11 C4 C C4 S N N 0 -5.036 1.9 -0.316
12 O4 O O4 N N N 0 -6.369 2.414 -0.336
13 C5 C C5 R N N 0 -5.008 0.525 -0.989
14 O5 O O5 N N N 0 -3.685 -0.012 -0.917
15 C6 C C6 N N N 0 -5.422 0.666 -2.455
16 O6 O O6 N N N 0 -5.509 -0.629 -3.052
17 C7 C C7 N N N 0 -1.697 -2.12 0.46
18 C8 C C8 N N N 0 1.85 -2.324 0.248
19 C9 C C9 N Y N 0 3.025 -1.444 0.108
20 C10 C C10 N Y N 0 4.31 -1.99 0.066
21 C11 C C11 N Y N 0 5.404 -1.161 -0.065
22 C12 C C12 N Y N 0 5.231 0.209 -0.156
23 C13 C C13 N Y N 0 3.96 0.757 -0.115
24 C14 C C14 N Y N 0 2.857 -0.06 0.011
25 H1 H H1 N N N 0 -3.877 -0.887 0.945
26 HN1 H HN1 N N N 0 -1.089 -0.206 0.28
27 H2 H H2 N N N 0 -2.464 1.802 0.639
28 HN2 H HN2 N N N 0 -0.34 -3.611 0.484
29 HO2 H HO2 N N Y 0 -1.864 0.537 2.577
30 H3 H H3 N N N 0 -5.253 1.119 1.682
31 HO3 H HO3 N N Y 0 -4.218 3.035 2.669
32 H4 H H4 N N N 0 -4.375 2.582 -0.851
33 HO4 H HO4 N N Y 0 -6.462 3.283 0.079
34 H5 H H5 N N N 0 -5.7 -0.144 -0.478
35 H61 H H6 N N N 0 -6.393 1.158 -2.513
36 H62 H H6A N N N 0 -4.681 1.262 -2.987
37 HO6 H HO6 N N Y 0 -5.767 -0.617 -3.984
38 H8 H H8 N N N 0 1.982 -3.394 0.319
39 H10 H H10 N N N 0 4.446 -3.059 0.137
40 H11 H H11 N N N 0 6.398 -1.582 -0.098
41 H13 H H13 N N N 0 3.832 1.827 -0.186
42 H14 H H14 N N N 0 1.866 0.368 0.042