Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : R00

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 48


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 N N N1 N N N 0 -2.399 1.471 0.417
2 C1 C C1 S N N 0 -2.057 0.134 -0.086
3 C4 C C4 N Y N 0 -4.44 -0.509 -0.325
4 C2 C C2 S N N 0 -0.708 0.19 -0.806
5 O1 O O1 N N N 0 -0.79 1.104 -1.902
6 C3 C C3 N N N 0 -3.137 -0.336 -1.062
7 C5 C C5 N Y N 0 -5.321 0.551 -0.221
8 C6 C C6 N Y N 0 -4.756 -1.729 0.243
9 C7 C C7 N Y N 0 -6.516 0.392 0.456
10 C8 C C8 N Y N 0 -5.951 -1.888 0.919
11 C9 C C9 N Y N 0 -6.83 -0.827 1.028
12 C10 C C10 N N N 0 0.373 0.66 0.17
13 N2 N N2 N N N 0 1.667 0.714 -0.522
14 C11 C C11 S N N 0 2.731 1.162 0.387
15 C C C12 N N N 0 2.76 2.668 0.422
16 O O O2 N N N 0 1.975 3.303 -0.242
17 C13 C C13 N N N 0 4.08 0.637 -0.109
18 C14 C C14 N Y N 0 4.094 -0.868 -0.028
19 C15 C C15 N Y N 0 3.666 -1.622 -1.104
20 C16 C C16 N Y N 0 4.54 -1.494 1.121
21 C17 C C17 N Y N 0 3.679 -3.002 -1.03
22 C18 C C18 N Y N 0 4.553 -2.874 1.196
23 C19 C C19 N Y N 0 4.121 -3.628 0.121
24 OXT O O3 N N N 0 3.658 3.304 1.191
25 H1 H H1 N N N 0 -1.735 1.777 1.112
26 H H H2 N N N 0 -1.994 -0.563 0.749
27 H3 H H3 N N N 0 -0.454 -0.802 -1.18
28 H4 H H4 N N N 0 -1.013 2.009 -1.643
29 H5 H H5 N N N 0 -3.262 0.406 -1.851
30 H6 H H6 N N N 0 -2.84 -1.288 -1.503
31 H7 H H7 N N N 0 -5.076 1.503 -0.668
32 H8 H H8 N N N 0 -4.069 -2.559 0.157
33 H9 H H9 N N N 0 -7.204 1.22 0.538
34 H10 H H10 N N N 0 -6.198 -2.842 1.362
35 H11 H H11 N N N 0 -7.763 -0.951 1.557
36 H12 H H12 N N N 0 0.118 1.652 0.543
37 H13 H H13 N N N 0 0.435 -0.038 1.005
38 H16 H H16 N N N 0 4.233 0.946 -1.143
39 H14 H H14 N N N 0 1.895 -0.179 -0.933
40 H15 H H15 N N N 0 2.538 0.779 1.389
41 H17 H H17 N N N 0 4.878 1.042 0.513
42 H18 H H18 N N N 0 3.322 -1.133 -2.003
43 H19 H H19 N N N 0 4.879 -0.905 1.96
44 H20 H H20 N N N 0 3.344 -3.592 -1.871
45 H21 H H21 N N N 0 4.902 -3.363 2.093
46 H22 H H22 N N Y 0 4.13 -4.707 0.179
47 HXT H H23 N N Y 0 3.638 4.271 1.18
48 H2 H H24 N N Y 0 -2.463 2.136 -0.339