Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : MS4

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 38


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 S2 S S2 N N N 0 -4.933 -0.575 -0.388
2 O1 O O1 N N N 0 -6.148 -1.176 0.038
3 O2 O O2 N N N 0 -4.574 0.762 -0.069
4 O3 O O3 N N N 0 -3.809 -1.458 0.137
5 N1 N N1 N N N 0 -4.911 -0.685 -2.04
6 N3 N N3 N Y N 0 6.274 -2.332 1.14
7 N4 N N4 N Y N 0 5.97 -0.237 0.776
8 N5 N N5 N Y N 0 5.443 -0.971 -0.299
9 N6 N N6 N N N 0 -0.411 3.624 0.379
10 C1 C C1 N Y N 0 6.462 -1.104 1.622
11 C2 C C2 N Y N 0 5.663 -2.267 -0.015
12 C3 C C3 N Y N 0 3.639 0.452 -1.076
13 C4 C C4 N Y N 0 3.855 1.805 -0.866
14 C5 C C5 N Y N 0 2.814 2.628 -0.491
15 C6 C C6 N Y N 0 1.533 2.1 -0.321
16 C7 C C7 N Y N 0 1.315 0.726 -0.534
17 C8 C C8 N Y N 0 2.379 -0.088 -0.912
18 C9 C C9 N N N 0 0.449 2.95 0.069
19 CL CL CL N N N 0 -2.923 0.197 2.417
20 C12 C C12 N Y N 0 -0.762 0.412 0.807
21 C13 C C13 N Y N 0 -2.021 -0.127 0.969
22 C14 C C14 N Y N 0 -2.569 -0.929 -0.025
23 C15 C C15 N Y N 0 -1.85 -1.19 -1.184
24 C16 C C16 N Y N 0 -0.591 -0.655 -1.352
25 CAO C CAO N N N 0 4.785 -0.433 -1.491
26 CAV C CAV N Y N 0 -0.038 0.15 -0.356
27 H11N H H11N N N N 0 -4.376 -0.065 -2.56
28 H12N H H12N N N N 0 -5.433 -1.369 -2.487
29 H1 H H1 N N N 0 6.942 -0.864 2.559
30 H2 H H2 N N N 0 5.384 -3.108 -0.633
31 HAO1 H HAO1 N N N 0 5.502 0.149 -2.071
32 HAO2 H HAO2 N N N 0 4.407 -1.255 -2.1
33 H4 H H4 N N N 0 4.845 2.217 -0.998
34 H8 H H8 N N N 0 2.219 -1.143 -1.078
35 H5 H H5 N N N 0 2.99 3.681 -0.329
36 H12 H H12 N N N 0 -0.338 1.038 1.579
37 H15 H H15 N N N 0 -2.279 -1.814 -1.955
38 H16 H H16 N N N 0 -0.032 -0.859 -2.254