Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 4BU

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 48


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 O9 O O9 N N N 0 -2.614 0.247 -0.075
2 C8 C C8 N N N 0 -3.145 -0.751 0.365
3 C7 C C7 N N N 0 -4.644 -0.804 0.512
4 C6 C C6 N N N 0 -5.25 0.519 0.038
5 C4 C C4 S N N 0 -6.771 0.466 0.187
6 N5 N N5 N N N 0 -7.316 -0.557 -0.716
7 C2 C C2 N N N 0 -7.358 1.809 -0.162
8 O3 O O3 N N N 0 -7.846 1.99 -1.253
9 O1 O O1 N N N 0 -7.338 2.805 0.738
10 N10 N N10 N N N 0 -2.395 -1.814 0.717
11 C12 C C12 N Y N 0 -1.014 -1.805 0.486
12 C13 C C13 N Y N 0 -0.361 -2.978 0.132
13 C14 C C14 N Y N 0 1.001 -2.969 -0.096
14 C15 C C15 N Y N 0 1.717 -1.787 0.027
15 C16 C C16 N Y N 0 1.065 -0.614 0.38
16 C17 C C17 N Y N 0 -0.298 -0.622 0.604
17 O18 O O18 N N N 0 3.058 -1.778 -0.198
18 C19 C C19 N N N 0 3.731 -0.526 -0.053
19 C20 C C20 S N N 0 5.222 -0.712 -0.344
20 O21 O O21 N N N 0 5.398 -1.08 -1.713
21 C23 C C23 N Y N 0 5.952 0.578 -0.072
22 C24 C C24 N Y N 0 5.927 1.596 -1.007
23 C25 C C25 N Y N 0 6.596 2.779 -0.758
24 C26 C C26 N Y N 0 7.291 2.945 0.426
25 C27 C C27 N Y N 0 7.315 1.927 1.361
26 C28 C C28 N Y N 0 6.642 0.745 1.114
27 H7 H H7 N N N 0 -5.04 -1.621 -0.091
28 H7A H H7A N N N 0 -4.901 -0.967 1.558
29 H6 H H6 N N N 0 -4.854 1.336 0.641
30 H6A H H6A N N N 0 -4.993 0.682 -1.008
31 H4 H H4 N N N 0 -7.027 0.214 1.217
32 HN5 H HN5 N N N 0 -7.093 -0.346 -1.677
33 HN5A H HN5A N N N 0 -6.988 -1.476 -0.461
34 HO1 H HO1 N N N 0 -7.726 3.648 0.468
35 HN10 H HN10 N N N 0 -2.813 -2.586 1.131
36 H13 H H13 N N N 0 -0.918 -3.899 0.036
37 H14 H H14 N N N 0 1.509 -3.881 -0.371
38 H16 H H16 N N N 0 1.623 0.306 0.476
39 H17 H H17 N N N 0 -0.805 0.292 0.874
40 H19 H H19 N N N 0 3.312 0.196 -0.754
41 H19A H H19A N N N 0 3.603 -0.16 0.965
42 H20 H H20 N N N 0 5.622 -1.498 0.298
43 HO21 H HO21 N N N 0 5.064 -0.426 -2.342
44 H24 H H24 N N N 0 5.385 1.467 -1.932
45 H25 H H25 N N N 0 6.578 3.575 -1.489
46 H26 H H26 N N N 0 7.814 3.869 0.62
47 H27 H H27 N N N 0 7.857 2.056 2.286
48 H28 H H28 N N N 0 6.657 -0.048 1.846