Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 29O

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 BR1 BR BR1 N N Y 0 -3.111 -5.44 0.293
2 BR2 BR BR2 N N Y 0 -3.669 5.108 0.245
3 BR3 BR BR3 N N Y 0 6.512 0.296 -0.011
4 C1 C C1 N Y N 0 -0.867 -0.852 -0.691
5 C10 C C10 N N N 0 -1.793 4.737 -0.214
6 C11 C C11 N N N 0 3.741 -0.324 0.218
7 C12 C C12 N N N 0 5.08 -0.918 0.572
8 C2 C C2 N Y N 0 0.361 -1.352 -0.281
9 C3 C C3 N Y N 0 1.37 -0.482 0.109
10 C4 C C4 N Y N 0 1.151 0.889 0.088
11 C5 C C5 N Y N 0 -0.077 1.389 -0.323
12 C6 C C6 N Y N 0 -1.084 0.519 -0.717
13 C7 C C7 N N N 0 -1.526 3.26 -0.078
14 C8 C C8 N N N 0 -2.034 -2.911 -0.453
15 C9 C C9 N N N 0 -3.191 -3.81 -0.804
16 H1 H H1 N N N 0 0.532 -2.418 -0.264
17 H10 H H10 N N N 0 -1.603 5.048 -1.241
18 H12 H H12 N N N 0 2.65 -1.811 1.03
19 H13 H H13 N N N 0 5.141 -1.06 1.651
20 H14 H H14 N N N 0 5.194 -1.88 0.072
21 H2 H H2 N N N 0 1.935 1.566 0.392
22 H3 H H3 N N N 0 -2.04 0.908 -1.037
23 H4 H H4 N N N 0 -2.48 -1.487 -1.808
24 H5 H H5 N N N 0 0.431 3.375 -0.549
25 H6 H H6 N N N 0 -4.128 -3.288 -0.611
26 H7 H H7 N N N 0 -3.136 -4.079 -1.859
27 H9 H H9 N N N 0 -1.138 5.288 0.46
28 N1 N N1 N N N 0 -1.884 -1.73 -1.083
29 N2 N N2 N N N 0 -0.299 2.77 -0.343
30 N3 N N3 N N N 0 2.608 -0.986 0.523
31 O1 O O1 N N N 0 -1.237 -3.252 0.396
32 O2 O O2 N N N 0 -2.415 2.512 0.271
33 O3 O O3 N N N 0 3.684 0.751 -0.342