Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 5KW

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 57


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C01 C C1 N N N 0 7.826 1.724 -1.339
2 N02 N N1 N N N 0 8.265 0.647 -0.442
3 C03 C C2 N N N 0 7.898 0.939 0.951
4 C04 C C3 N N N 0 6.373 0.967 1.079
5 C05 C C4 N N N 0 7.717 -0.648 -0.868
6 C06 C C5 N N N 0 6.192 -0.621 -0.739
7 N07 N N2 N N N 0 5.825 -0.329 0.653
8 C08 C C6 N Y N 0 4.437 -0.367 0.825
9 C09 C C7 N Y N 0 3.725 -1.508 0.481
10 C10 C C8 N Y N 0 2.356 -1.546 0.65
11 C11 C C9 N Y N 0 3.771 0.736 1.345
12 C12 C C10 N Y N 0 2.401 0.698 1.515
13 C13 C C11 N Y N 0 1.689 -0.442 1.165
14 N14 N N3 N N N 0 0.3 -0.479 1.337
15 C15 C C12 N Y N 0 -0.493 -1.159 0.426
16 N16 N N4 N Y N 0 0.086 -1.834 -0.556
17 C17 C C13 N Y N 0 -0.638 -2.496 -1.445
18 C18 C C14 N Y N 0 -2.018 -2.478 -1.342
19 CL1 CL CL1 N N N 0 -3.005 -3.333 -2.486
20 C20 C C15 N Y N 0 -2.597 -1.758 -0.297
21 O21 O O1 N N N 0 -3.944 -1.714 -0.157
22 C22 C C16 N Y N 0 -4.459 -0.913 0.813
23 C23 C C17 N Y N 0 -4.86 -1.458 2.023
24 C24 C C18 N Y N 0 -5.384 -0.643 3.009
25 C25 C C19 N Y N 0 -5.51 0.717 2.792
26 C26 C C20 N Y N 0 -5.113 1.268 1.589
27 C27 C C21 N Y N 0 -4.581 0.458 0.597
28 N28 N N5 N N N 0 -4.177 1.014 -0.624
29 C29 C C22 N N N 0 -3.656 2.257 -0.659
30 C30 C C23 N N N 0 -3.344 2.906 -1.982
31 O31 O O2 N N N 0 -3.439 2.852 0.375
32 N32 N N6 N Y N 0 -1.81 -1.122 0.562
33 H1 H H1 N N N 0 6.738 1.785 -1.329
34 H2 H H2 N N N 0 8.246 2.672 -1.002
35 H3 H H3 N N N 0 8.169 1.516 -2.353
36 H5 H H5 N N N 0 8.304 0.166 1.603
37 H6 H H6 N N N 0 8.305 1.909 1.238
38 H7 H H7 N N N 0 6.099 1.154 2.117
39 H8 H H8 N N N 0 5.97 1.758 0.447
40 H9 H H9 N N N 0 7.991 -0.836 -1.906
41 H10 H H10 N N N 0 8.121 -1.439 -0.236
42 H11 H H11 N N N 0 5.786 0.152 -1.392
43 H12 H H12 N N N 0 5.785 -1.59 -1.027
44 H13 H H13 N N N 0 4.244 -2.367 0.08
45 H14 H H14 N N N 0 1.802 -2.434 0.383
46 H15 H H15 N N N 0 4.325 1.622 1.617
47 H16 H H16 N N N 0 1.884 1.555 1.919
48 H17 H H17 N N N 0 -0.108 -0.03 2.093
49 H18 H H18 N N N 0 -0.158 -3.044 -2.243
50 H19 H H19 N N N 0 -4.763 -2.52 2.196
51 H20 H H20 N N N 0 -5.696 -1.069 3.951
52 H21 H H21 N N N 0 -5.924 1.349 3.564
53 H22 H H22 N N N 0 -5.212 2.331 1.422
54 H23 H H23 N N N 0 -4.272 0.505 -1.444
55 CL2 CL CL2 N N Y 0 -2.664 4.552 -1.698
56 H24 H H24 N N N 0 -2.616 2.3 -2.522
57 H25 H H25 N N N 0 -4.258 2.987 -2.572