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Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : CIR

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 25


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C C C1 N N N 0 3.505 0.297 -0.037
2 O O O1 N N N 0 4.165 -0.036 0.919
3 OXT O O2 N N Y 0 3.886 1.346 -0.783
4 CA C C2 S N N 0 2.258 -0.469 -0.396
5 N N N2 N N N 0 2.308 -1.801 0.221
6 C3 C C3 N N N 0 1.03 0.286 0.119
7 C4 C C4 N N N 0 -0.24 -0.426 -0.352
8 C5 C C5 N N N 0 -1.467 0.329 0.162
9 N6 N N6 N N N 0 -2.684 -0.352 -0.289
10 C7 C C7 N N N 0 -3.894 0.137 0.047
11 O7 O O7 N N N 0 -3.976 1.143 0.724
12 N8 N N8 N N N 0 -5.012 -0.49 -0.368
13 HXT H HO2 N N Y 0 4.695 1.804 -0.516
14 HA H H2 N N N 0 2.194 -0.572 -1.479
15 H2 H HN21 N N Y 0 2.367 -1.733 1.226
16 H H HN22 N N N 0 1.513 -2.358 -0.057
17 H31 H H31 N N N 0 1.05 0.311 1.208
18 H32 H H32 N N N 0 1.041 1.304 -0.269
19 H41 H H41 N N N 0 -0.259 -0.452 -1.442
20 H42 H H42 N N N 0 -0.251 -1.444 0.035
21 H51 H H51 N N N 0 -1.448 0.354 1.251
22 H52 H H52 N N N 0 -1.457 1.347 -0.226
23 HN6 H HN6 N N N 0 -2.618 -1.156 -0.829
24 HN81 H HN81 N N N 0 -4.947 -1.293 -0.908
25 HN82 H HN82 N N Y 0 -5.884 -0.138 -0.126