Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 4U9

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 43


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C7 C C1 N N N 0 -3.037 0.11 0.037
2 C6 C C2 N Y N 0 -1.606 0.042 0.04
3 C1 C C3 N Y N 0 4.71 0.517 0.016
4 N1 N N1 N Y N 0 3.434 0.998 0.084
5 C5 C C4 N Y N 0 0.408 0.871 -0.729
6 C4 C C5 N Y N 0 1.116 -0.067 0.028
7 BR1 BR BR1 N N N 0 2.789 -2.981 -0.268
8 C3 C C6 N Y N 0 3.387 -1.193 -0.118
9 C2 C C7 N Y N 0 2.591 -0.09 -0.001
10 CL1 CL CL1 N N N 0 7.303 -1.023 0.138
11 C23 C C8 N Y N 0 7.191 0.71 0.13
12 C22 C C9 N Y N 0 8.338 1.477 0.179
13 C21 C C10 N Y N 0 8.252 2.858 0.173
14 C20 C C11 N Y N 0 7.018 3.481 0.118
15 C19 C C12 N Y N 0 5.861 2.727 0.068
16 F4 F F1 N N N 0 4.657 3.336 0.009
17 C18 C C13 N Y N 0 5.941 1.331 0.069
18 N2 N N2 N Y N 0 4.66 -0.794 -0.099
19 C17 C C14 N Y N 0 0.406 -0.986 0.815
20 C16 C C15 N Y N 0 -0.961 -0.926 0.817
21 N3 N N3 N Y N 0 -0.907 0.898 -0.701
22 C8 C C16 N N N 0 -4.209 0.165 0.035
23 C9 C C17 N Y N 0 -5.64 0.232 0.032
24 C15 C C18 N Y N 0 -6.386 -0.661 0.806
25 C14 C C19 N Y N 0 -7.764 -0.589 0.799
26 C12 C C20 N Y N 0 -8.406 0.363 0.028
27 C13 C C21 N N N 0 -9.912 0.434 0.025
28 F3 F F2 N N N 0 -10.339 1.302 1.036
29 F2 F F3 N N N 0 -10.354 0.909 -1.214
30 F1 F F4 N N N 0 -10.439 -0.842 0.252
31 C11 C C22 N Y N 0 -7.674 1.25 -0.741
32 C10 C C23 N Y N 0 -6.296 1.195 -0.74
33 H1 H H1 N N N 0 3.171 1.927 0.176
34 H2 H H2 N N N 0 0.945 1.583 -1.338
35 H3 H H3 N N N 0 9.305 0.998 0.222
36 H4 H H4 N N N 0 9.153 3.453 0.212
37 H5 H H5 N N N 0 6.959 4.559 0.114
38 H7 H H7 N N N 0 0.927 -1.722 1.409
39 H8 H H8 N N N 0 -1.537 -1.619 1.413
40 H9 H H9 N N N 0 -5.886 -1.405 1.408
41 H10 H H10 N N N 0 -8.342 -1.279 1.396
42 H11 H H11 N N N 0 -8.183 1.99 -1.341
43 H12 H H12 N N N 0 -5.726 1.888 -1.34