Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : C85

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 34


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 O4 O O4 N N N 0 5.196 -2.107 0.64
2 S2 S S2 N N N 0 5.362 -0.81 0.083
3 O3 O O3 N N N 0 6.246 0.162 0.625
4 N6 N N6 N N N 0 5.821 -1.033 -1.492
5 C16 C C16 N Y N 0 3.763 -0.07 0.06
6 C15 C C15 N Y N 0 2.634 -0.87 0.058
7 C14 C C14 N Y N 0 1.379 -0.298 0.04
8 C13 C C13 N Y N 0 1.25 1.093 0.024
9 C18 C C18 N Y N 0 2.394 1.895 0.026
10 C17 C C17 N Y N 0 3.642 1.309 0.05
11 C4 C C4 N Y N 0 -0.09 1.713 0.004
12 O2 O O2 N Y N 0 -1.26 1.049 0.0
13 C3 C C3 N Y N 0 -0.345 3.055 -0.008
14 C2 C C2 N Y N 0 -1.734 3.209 -0.025
15 C1 C C1 N Y N 0 -2.277 1.937 -0.02
16 C6 C C6 N N N 0 -3.654 1.622 -0.029
17 C7 C C7 N N N 0 -4.055 0.318 -0.018
18 S1 S S1 N N N 0 -3.033 -1.132 0.009
19 C9 C C9 N N N 0 -4.392 -2.269 0.009
20 N3 N N3 N N N 0 -4.318 -3.572 0.026
21 N2 N N2 N N N 0 -5.535 -1.514 -0.011
22 C8 C C8 N N N 0 -5.424 -0.196 -0.019
23 O1 O O1 N N N 0 -6.395 0.538 -0.031
24 H6N1 H 1H6N N N N 0 5.23 -0.764 -2.213
25 H6N2 H 2H6N N N N 0 6.682 -1.433 -1.694
26 H17 H H17 N N N 0 4.528 1.927 0.056
27 H15 H H15 N N N 0 2.736 -1.945 0.07
28 H18 H H18 N N N 0 2.301 2.97 0.013
29 H14 H H14 N N N 0 0.499 -0.924 0.038
30 H3 H H3 N N N 0 0.388 3.847 -0.004
31 H2 H H2 N N N 0 -2.279 4.142 -0.037
32 H6 H H6 N N N 0 -4.389 2.413 -0.045
33 H3N2 H 2H3N N N N 0 -5.129 -4.103 0.024
34 H3N1 H 1H3N N N N 0 -6.407 -1.937 -0.015