Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : RQR

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 0.885 0.085 0.325
2 S1 S S1 N Y N 0 -5.417 -0.203 -0.181
3 C11 C C3 N Y N 0 -4.573 -1.724 0.039
4 C13 C C1 N Y N 0 -2.453 2.492 -0.192
5 O2 O O1 N N N 0 5.308 1.604 0.337
6 C12 C C2 N Y N 0 -3.917 0.712 -0.143
7 C8 C C6 N Y N 0 -1.535 0.398 0.09
8 O3 O O2 N N N 0 6.561 0.123 -0.722
9 C10 C C4 N Y N 0 -3.267 -1.544 0.132
10 C9 C C5 N Y N 0 -2.834 -0.168 0.035
11 C7 C C7 N N N 0 -0.345 -0.465 0.275
12 C6 C C8 N N N 0 3.848 -1.177 -0.931
13 C5 C C9 N N N 0 2.549 -1.276 -0.835
14 C4 C C10 R N N 0 2.062 -0.768 0.502
15 C3 C C11 N N N 0 3.244 0.054 1.065
16 C2 C C12 S N N 0 4.442 -0.588 0.327
17 C1 C C13 N N N 0 5.468 0.46 -0.019
18 O1 O O3 N N N 0 -0.477 -1.668 0.38
19 N2 N N2 N Y N 0 -3.679 2.019 -0.25
20 N3 N N3 N Y N 0 -1.404 1.713 -0.027
21 H7 H H1 N N N 0 0.99 1.046 0.241
22 H10 H H2 N N N 0 -2.301 3.558 -0.283
23 H9 H H3 N N N 0 -5.06 -2.687 0.092
24 H11 H H4 N N N 0 7.191 0.83 -0.92
25 H8 H H5 N N N 0 -2.576 -2.363 0.27
26 H6 H H6 N N N 0 4.422 -1.481 -1.793
27 H5 H H7 N N N 0 1.908 -1.668 -1.611
28 H2 H H8 N N N 0 1.829 -1.603 1.163
29 H3 H H9 N N N 0 3.145 1.108 0.807
30 H4 H H10 N N N 0 3.333 -0.077 2.143
31 H1 H H11 N N N 0 4.89 -1.371 0.939