Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : ASE

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 30


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N Y N 0 -1.6 -0.031 -2.893
2 C11 C C11 N N N 0 0.71 -1.11 1.054
3 C12 C C12 N N N 0 0.334 0.03 2.001
4 C14 C C14 N N N 0 -0.467 0.3 4.287
5 C15 C C15 N N N 0 -0.9 -0.269 5.612
6 C2 C C2 N Y N 0 -1.084 -0.401 -1.667
7 C3 C C3 N Y N 0 0.283 -0.263 -1.424
8 C4 C C4 N Y N 0 -0.763 0.48 -3.88
9 C5 C C5 N Y N 0 0.586 0.627 -3.649
10 C6 C C6 N Y N 0 1.125 0.261 -2.421
11 C7 C C7 N Y N 0 1.144 -0.539 -0.271
12 C8 C C8 N Y N 0 2.393 -0.194 -0.621
13 H111 H 1H11 N N N 0 1.528 -1.686 1.487
14 H112 H 2H11 N N N 0 -0.152 -1.759 0.906
15 H121 H 1H12 N N N 0 -0.483 0.606 1.569
16 H122 H 2H12 N N N 0 1.197 0.679 2.15
17 H151 H 1H15 N N N 0 -1.169 0.542 6.287
18 H152 H 2H15 N N N 0 -1.763 -0.919 5.464
19 H153 H 3H15 N N N 0 -0.083 -0.846 6.045
20 H2 H H2 N N N 0 -1.734 -0.799 -0.901
21 H4 H H4 N N N 0 -1.177 0.767 -4.836
22 H5 H H5 N N N 0 1.226 1.026 -4.422
23 H8 H H8 N N N 0 3.262 -0.281 0.014
24 HN3 H HN3 N N N 0 -0.092 -1.484 3.427
25 HN9 H HN9 N N N 0 3.19 0.598 -2.374
26 HO0 H HO0 N N N 0 -3.057 -1.053 -3.507
27 N13 N N13 N N N 0 -0.087 -0.523 3.29
28 N9 N N9 N Y N 0 2.402 0.286 -1.902
29 O10 O O10 N N N 0 -2.931 -0.169 -3.137
30 O16 O O16 N N N 0 -0.46 1.501 4.116