Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : WBS

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 55


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C10 C C1 N Y N 0 -3.858 2.187 1.059
2 N12 N N1 N N N 0 -2.58 -1.395 0.78
3 C13 C C2 N Y N 0 -2.658 -2.584 0.045
4 C17 C C3 N Y N 0 -1.891 -2.905 -1.087
5 C20 C C4 N Y N 0 2.065 0.017 0.163
6 C21 C C5 N Y N 0 2.877 -1.192 0.436
7 C22 C C6 N Y N 0 3.743 -1.221 1.528
8 C24 C C7 N Y N 0 4.394 -3.451 0.946
9 C26 C C8 N Y N 0 2.773 -2.307 -0.395
10 C28 C C9 N Y N 0 3.983 1.664 -0.359
11 C02 C C10 N N N 0 -0.944 1.771 -0.124
12 C03 C C11 N N N 0 -1.959 0.838 0.171
13 C04 C C12 N Y N 0 -3.383 1.247 0.144
14 C05 C C13 N Y N 0 -4.251 0.694 -0.797
15 C06 C C14 N Y N 0 -5.576 1.077 -0.819
16 C07 C C15 N Y N 0 -6.045 2.012 0.093
17 C09 C C16 N Y N 0 -5.185 2.56 1.034
18 C11 C C17 N N N 0 -1.61 -0.47 0.49
19 C16 C C18 N Y N 0 -2.262 -4.137 -1.504
20 C19 C C19 N Y N 0 0.685 0.108 0.215
21 C23 C C20 N Y N 0 4.496 -2.35 1.778
22 C25 C C21 N Y N 0 3.532 -3.43 -0.136
23 C27 C C22 N Y N 0 2.556 1.296 -0.193
24 C29 C C23 N Y N 0 4.865 0.782 -0.983
25 C30 C C24 N Y N 0 6.19 1.132 -1.14
26 C31 C C25 N Y N 0 6.645 2.354 -0.679
27 C32 C C26 N Y N 0 5.775 3.233 -0.059
28 C33 C C27 N Y N 0 4.447 2.894 0.103
29 N14 N N2 N Y N 0 -3.456 -3.595 0.295
30 N15 N N3 N Y N 0 -3.227 -4.582 -0.671
31 N18 N N4 N N N 0 -0.289 -0.826 0.508
32 N34 N N5 N Y N 0 1.53 2.102 -0.351
33 N35 N N6 N Y N 0 0.349 1.392 -0.097
34 O01 O O1 N N N 0 -1.237 2.921 -0.404
35 O08 O O2 N N N 0 -7.352 2.387 0.067
36 H101 H H1 N N N 0 -3.188 2.617 1.789
37 H121 H H2 N N N 0 -3.213 -1.225 1.496
38 H171 H H3 N N N 0 -1.138 -2.28 -1.544
39 H221 H H4 N N N 0 3.824 -0.362 2.177
40 H241 H H5 N N N 0 4.985 -4.332 1.145
41 H261 H H6 N N N 0 2.101 -2.292 -1.24
42 H051 H H7 N N N 0 -3.886 -0.033 -1.507
43 H061 H H8 N N N 0 -6.248 0.649 -1.548
44 H091 H H9 N N N 0 -5.554 3.287 1.742
45 H161 H H10 N N N 0 -1.859 -4.67 -2.352
46 H231 H H11 N N N 0 5.168 -2.374 2.623
47 H251 H H12 N N N 0 3.453 -4.294 -0.779
48 H291 H H13 N N N 0 4.511 -0.172 -1.343
49 H301 H H14 N N N 0 6.874 0.449 -1.622
50 H311 H H15 N N N 0 7.684 2.623 -0.803
51 H181 H H19 N N N 0 -0.037 -1.736 0.728
52 H321 H H16 N N N 0 6.136 4.186 0.299
53 H331 H H17 N N N 0 3.769 3.581 0.587
54 H151 H H18 N N N 0 -3.68 -5.438 -0.73
55 H081 H H20 N N N 0 -7.927 1.846 0.624