Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : XU9

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 33


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N N N 0 -2.313 -2.97 -0.061
2 C2 C C2 N N N 0 -2.607 -4.471 -0.019
3 C3 C C3 N Y N 0 0.987 -1.187 0.015
4 C5 C C4 N Y N 0 2.031 -2.127 0.101
5 C6 C C5 N Y N 0 3.78 0.961 0.056
6 C8 C C6 N Y N 0 1.934 2.471 -0.078
7 C10 C C7 N N N 0 -0.357 1.606 -0.145
8 C12 C C8 N N N 0 -2.971 1.999 -0.272
9 C13 C C9 N N N 0 -3.466 3.445 -0.346
10 N N N1 N Y N 0 2.934 -0.107 0.059
11 C C C10 N N N 0 -0.448 -1.478 -0.036
12 O O O1 N N N 0 -1.251 -0.568 -0.103
13 C11 C C11 N N N 0 -1.517 1.781 -0.201
14 C14 C C12 N N N 0 -3.65 2.639 0.941
15 C4 C C13 N Y N 0 1.584 0.085 -0.006
16 C7 C C14 N Y N 0 3.309 2.228 -0.01
17 C9 C C15 N Y N 0 1.057 1.394 -0.076
18 N1 N N2 N Y N 0 3.169 -1.486 0.13
19 O1 O O2 N N N 0 -0.878 -2.757 -0.007
20 H1 H H1 N N N 0 -2.709 -2.549 -0.985
21 H2 H H2 N N N 0 -2.785 -2.484 0.793
22 H3 H H3 N N N 0 -2.135 -4.958 -0.872
23 H4 H H4 N N N 0 -2.211 -4.893 0.905
24 H5 H H5 N N N 0 -3.684 -4.632 -0.059
25 H6 H H6 N N N 0 1.911 -3.199 0.136
26 H7 H H7 N N N 0 4.845 0.794 0.109
27 H8 H H8 N N N 0 1.559 3.482 -0.131
28 H9 H H9 N N N 0 -3.533 1.246 -0.825
29 H10 H H10 N N N 0 -2.714 4.235 -0.342
30 H11 H H11 N N N 0 -4.353 3.644 -0.948
31 H12 H H12 N N N 0 -4.658 2.306 1.186
32 H13 H H13 N N N 0 -3.02 2.898 1.792
33 H14 H H14 N N N 0 4.001 3.058 -0.01