Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : A1AKD

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 36


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 -0.426 -0.491 0.018
2 N3 N N2 N Y N 0 2.983 1.72 -0.533
3 C4 C C1 N N N 0 -2.837 -0.579 -0.31
4 C5 C C2 N N N 0 -1.519 -2.654 -0.275
5 C6 C C3 N N N 0 -0.377 -1.75 -0.744
6 C7 C C4 N Y N 0 0.731 0.243 -0.163
7 C8 C C5 N Y N 0 1.785 2.2 -0.786
8 C10 C C6 N Y N 0 3.801 -1.529 0.676
9 O O O1 N N N 0 -3.925 -0.045 -0.285
10 N N N3 N N N 0 -2.778 -1.914 -0.285
11 C3 C C7 R N N 0 -1.61 0.288 -0.368
12 C1 C C8 N N N 0 -1.777 1.468 0.592
13 C2 C C9 N N N 0 -2.904 2.375 0.095
14 C C C10 N N N 0 -2.121 0.945 1.988
15 C12 C C11 N Y N 0 1.988 -0.312 0.121
16 C11 C C12 N Y N 0 2.462 -1.605 0.611
17 N4 N N4 N Y N 0 4.216 -0.288 0.265
18 C9 C C13 N Y N 0 3.136 0.476 -0.081
19 N2 N N5 N Y N 0 0.681 1.495 -0.611
20 H10 H H1 N N N 0 -1.598 -3.512 -0.942
21 H11 H H2 N N N 0 -1.311 -3.0 0.738
22 H12 H H3 N N N 0 -0.491 -1.538 -1.807
23 H13 H H4 N N N 0 0.578 -2.246 -0.568
24 H14 H H5 N N N 0 1.699 3.213 -1.151
25 H15 H H6 N N N 0 4.454 -2.325 1.003
26 H9 H H7 N N N 0 -3.609 -2.415 -0.273
27 H8 H H8 N N N 0 -1.481 0.664 -1.382
28 H4 H H9 N N N 0 -0.847 2.034 0.636
29 H6 H H10 N N N 0 -3.858 1.856 0.193
30 H7 H H11 N N N 0 -2.924 3.288 0.69
31 H5 H H12 N N N 0 -2.733 2.626 -0.951
32 H1 H H13 N N N 0 -3.051 0.378 1.945
33 H2 H H14 N N N 0 -1.318 0.298 2.343
34 H3 H H15 N N N 0 -2.239 1.785 2.672
35 H16 H H16 N N N 0 1.852 -2.458 0.872
36 H H H17 N N N 0 5.14 0.004 0.225