Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : R9J

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 29


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C4 C C1 N Y N 0 0.686 -0.479 0.005
2 C5 C C2 N Y N 0 1.596 -1.509 0.208
3 C6 C C3 N Y N 0 2.951 -1.24 0.215
4 C7 C C4 N N N 0 -1.647 0.356 -0.055
5 C8 C C5 N N N 0 -1.507 1.086 -1.393
6 C9 C C6 N N N 0 -1.371 1.334 1.09
7 C10 C C7 N N N 0 -3.045 -0.189 0.076
8 O1 O O1 N N N 0 -3.889 0.447 0.663
9 O O O2 N N N 0 -3.354 -1.381 -0.459
10 N N N1 N N N 0 -0.685 -0.747 0.003
11 C3 C C8 N Y N 0 1.142 0.818 -0.19
12 C2 C C9 N Y N 0 2.498 1.08 -0.182
13 C1 C C10 N Y N 0 3.401 0.053 0.021
14 C C C11 N N N 0 4.88 0.343 0.03
15 H1 H H1 N N N 0 1.245 -2.519 0.361
16 H2 H H2 N N N 0 3.659 -2.04 0.373
17 H3 H H3 N N N 0 -0.46 1.336 -1.562
18 H4 H H4 N N N 0 -1.862 0.441 -2.197
19 H5 H H5 N N N 0 -2.1 2.0 -1.372
20 H6 H H6 N N N 0 -1.993 2.22 0.969
21 H7 H H7 N N N 0 -1.603 0.854 2.041
22 H8 H H8 N N N 0 -0.32 1.623 1.075
23 H9 H H9 N N N 0 -4.264 -1.689 -0.349
24 H10 H H10 N N N 0 -1.0 -1.664 0.039
25 H11 H H11 N N N 0 0.437 1.621 -0.349
26 H12 H H12 N N N 0 2.853 2.089 -0.334
27 H13 H H13 N N N 0 5.275 0.247 -0.981
28 H14 H H14 N N N 0 5.049 1.357 0.392
29 H15 H H15 N N N 0 5.385 -0.366 0.687