Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : A2X

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 45


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C01 C C1 N Y N 0 7.656 2.076 -0.488
2 C02 C C2 N Y N 0 6.672 2.822 -1.11
3 C03 C C3 N Y N 0 5.381 2.333 -1.2
4 C04 C C4 N Y N 0 5.071 1.097 -0.668
5 C05 C C5 N Y N 0 6.057 0.345 -0.041
6 C06 C C6 N Y N 0 7.354 0.837 0.042
7 S07 S S1 N N N 0 5.666 -1.232 0.641
8 C08 C C7 N Y N 0 3.921 -1.338 0.418
9 C09 C C8 N Y N 0 3.401 -1.985 -0.696
10 C10 C C9 N Y N 0 2.034 -2.068 -0.871
11 C11 C C10 N Y N 0 1.179 -1.505 0.068
12 C12 C C11 N Y N 0 1.699 -0.858 1.181
13 C13 C C12 N Y N 0 3.065 -0.78 1.359
14 N14 N N1 N N N 0 -0.208 -1.588 -0.11
15 C15 C C13 N N N 0 -1.0 -0.57 0.28
16 O16 O O1 N N N 0 -0.522 0.383 0.859
17 C17 C C14 N N N 0 -2.479 -0.614 -0.005
18 S18 S S2 N N N 0 -3.262 0.887 0.637
19 C19 C C15 N Y N 0 -4.936 0.578 0.18
20 N20 N N2 N Y N 0 -5.865 1.474 0.482
21 C21 C C16 N Y N 0 -7.13 1.273 0.153
22 C22 C C17 N Y N 0 -7.479 0.109 -0.514
23 C23 C C18 N Y N 0 -6.482 -0.807 -0.814
24 N24 N N3 N Y N 0 -5.235 -0.543 -0.462
25 C25 C C19 N N N 0 -6.815 -2.086 -1.538
26 C26 C C20 N N N 0 -8.18 2.297 0.5
27 H011 H H1 N N N 0 8.662 2.462 -0.419
28 H021 H H2 N N N 0 6.911 3.789 -1.528
29 H031 H H3 N N N 0 4.615 2.918 -1.688
30 H041 H H4 N N N 0 4.063 0.716 -0.737
31 H061 H H5 N N N 0 8.123 0.256 0.528
32 H091 H H6 N N N 0 4.066 -2.423 -1.426
33 H101 H H7 N N N 0 1.63 -2.571 -1.737
34 H121 H H8 N N N 0 1.033 -0.42 1.911
35 H131 H H9 N N N 0 3.469 -0.281 2.228
36 H141 H H10 N N N 0 -0.599 -2.379 -0.513
37 H171 H H11 N N N 0 -2.641 -0.676 -1.081
38 H172 H H12 N N N 0 -2.917 -1.487 0.479
39 H221 H H13 N N N 0 -8.505 -0.08 -0.794
40 H252 H H14 N N N 0 -6.736 -1.926 -2.613
41 H253 H H15 N N N 0 -6.118 -2.867 -1.235
42 H251 H H16 N N N 0 -7.832 -2.39 -1.29
43 H262 H H17 N N N 0 -8.274 3.012 -0.317
44 H263 H H18 N N N 0 -9.136 1.798 0.657
45 H261 H H19 N N N 0 -7.89 2.821 1.411