Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : XPS

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 R N N 0 -0.993 -0.49 0.137
2 C2 C C2 R N N 0 1.497 -0.44 -0.064
3 C3 C C3 S N N 0 -2.265 0.36 0.125
4 C4 C C4 N N N 0 2.722 0.472 -0.152
5 C5 C C5 N N N 0 -3.49 -0.552 0.213
6 C6 C C6 N N N 0 5.135 0.497 -0.349
7 N N N1 N N N 0 3.936 -0.347 -0.261
8 C C C7 S N N 0 0.225 0.41 -0.076
9 O O O1 N N N 0 0.29 1.38 0.972
10 O1 O O2 N N N 0 -1.058 -1.459 -0.911
11 O2 O O3 N N N 0 1.553 -1.196 1.147
12 O3 O O4 N N N 0 -2.32 1.117 -1.086
13 O4 O O5 N N N 0 -4.671 0.245 0.319
14 H1 H H1 N N N 0 -0.905 -0.999 1.097
15 H2 H H2 N N N 0 1.488 -1.12 -0.916
16 H3 H H3 N N N 0 -2.256 1.04 0.978
17 H4 H H4 N N N 0 2.635 1.112 -1.03
18 H5 H H5 N N N 0 2.78 1.09 0.743
19 H6 H H6 N N N 0 -3.548 -1.17 -0.682
20 H7 H H7 N N N 0 -3.403 -1.192 1.092
21 H8 H H8 N N N 0 5.21 1.115 0.546
22 H9 H H9 N N N 0 6.019 -0.135 -0.428
23 H10 H H10 N N N 0 5.065 1.138 -1.228
24 H11 H H11 N N N 0 3.878 -0.976 -1.048
25 H13 H H13 N N N 0 0.137 0.919 -1.036
26 H14 H H14 N N N 0 0.37 0.998 1.857
27 H15 H H15 N N N 0 -1.138 -1.077 -1.796
28 H16 H H16 N N N 0 1.564 -0.655 1.949
29 H17 H H17 N N N 0 -2.332 0.575 -1.887
30 H18 H H18 N N N 0 -5.488 -0.269 0.38