Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : IU9

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 27


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 CL CL CL1 N N N 0 2.963 -2.499 0.657
2 C12 C C1 N Y N 0 3.091 -0.84 0.164
3 C11 C C2 N Y N 0 4.302 -0.181 0.259
4 C10 C C3 N Y N 0 4.404 1.143 -0.135
5 F F F1 N N N 0 5.588 1.785 -0.042
6 C9 C C4 N Y N 0 3.293 1.809 -0.625
7 C8 C C5 N Y N 0 2.08 1.155 -0.722
8 C7 C C6 N Y N 0 1.976 -0.174 -0.333
9 N N N1 N N N 0 0.749 -0.84 -0.435
10 C6 C C7 N N N 0 -0.401 -0.172 -0.22
11 O O O1 N N N 0 -0.379 1.027 -0.017
12 C5 C C8 N Y N 0 -1.69 -0.896 -0.23
13 C C C9 N Y N 0 -2.883 -0.206 -0.007
14 SE SE SE1 N N N 0 -2.854 1.726 0.32
15 C4 C C10 N Y N 0 -1.72 -2.271 -0.468
16 C3 C C11 N Y N 0 -2.926 -2.94 -0.476
17 C2 C C12 N Y N 0 -4.104 -2.251 -0.25
18 C1 C C13 N Y N 0 -4.082 -0.888 -0.018
19 H8 H H1 N N N 0 5.169 -0.699 0.64
20 H7 H H2 N N N 0 3.375 2.841 -0.932
21 H6 H H3 N N N 0 1.214 1.675 -1.104
22 H5 H H4 N N N 0 0.727 -1.783 -0.661
23 H4 H H6 N N N 0 -0.8 -2.809 -0.645
24 H3 H H7 N N N 0 -2.95 -4.004 -0.66
25 H2 H H8 N N N 0 -5.046 -2.78 -0.258
26 H1 H H9 N N N 0 -5.006 -0.355 0.154
27 H H H10 N N Y 0 -2.982 2.276 -1.134