Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : KIQ

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 C4 C C4 N N N 0 -0.985 0.444 0.003
2 C5 C C5 N N N 0 -1.191 1.904 0.06
3 C8 C C8 N N N 0 -3.151 1.56 1.666
4 C15 C C15 N Y N 0 -6.102 3.746 0.928
5 C20 C C20 N N N 0 -1.611 -0.235 -0.968
6 C21 C C21 N N N 0 -1.476 -1.72 -1.136
7 C22 C C22 S N N 0 -0.326 -2.339 -0.307
8 C24 C C24 N Y N 0 -1.533 -4.479 0.248
9 F31 F F31 N N N 0 1.65 -4.017 -1.461
10 C30 C C30 N Y N 0 0.584 -4.613 -0.909
11 C29 C C29 N Y N 0 0.488 -6.004 -0.923
12 C27 C C27 N Y N 0 -0.618 -6.633 -0.351
13 F28 F F28 N N N 0 -0.709 -7.97 -0.365
14 C25 C C25 N Y N 0 -1.628 -5.871 0.234
15 F26 F F26 N N N 0 -2.69 -6.475 0.784
16 C23 C C23 N Y N 0 -0.427 -3.857 -0.323
17 C C C S N N 0 -0.289 -1.723 1.115
18 N N N N N N 0 0.791 -2.3 1.921
19 C3 C C3 N N N 0 -0.108 -0.194 1.038
20 O O O N N N 0 -0.418 2.618 -0.581
21 N7 N N7 N N N 0 -2.253 2.377 0.827
22 C12 C C12 N N N 0 -2.492 3.828 0.894
23 C11 C C11 N Y N 0 -3.95 4.114 0.843
24 N13 N N13 N Y N 0 -4.561 5.268 0.67
25 N14 N N14 N Y N 0 -5.924 5.033 0.723
26 C16 C C16 N N N 0 -7.387 3.035 1.046
27 F19 F F19 N N N 0 -8.493 3.84 0.921
28 F18 F F18 N N N 0 -7.576 2.051 0.106
29 F F F N N N 0 -7.55 2.401 2.252
30 N10 N N10 N Y N 0 -4.895 3.139 1.011
31 C9 C C9 N N N 0 -4.595 1.736 1.202
32 H81 H 1H8 N N N 0 -3.029 1.907 2.7
33 H82 H 2H8 N N N 0 -2.872 0.503 1.639
34 H20 H H20 N N N 0 -2.253 0.283 -1.676
35 H211 H 1H21 N N N 0 -2.434 -2.182 -0.862
36 H212 H 2H21 N N N 0 -1.313 -1.946 -2.197
37 H22 H H22 N N N 0 0.622 -2.103 -0.811
38 H24 H H24 N N N 0 -2.325 -3.894 0.707
39 H29 H H29 N N N 0 1.275 -6.598 -1.379
40 H H H N N N 0 -1.236 -1.947 1.625
41 HN1 H 1HN N N N 0 1.598 -2.632 1.445
42 HN2 H 2HN N N N 0 0.594 -2.521 2.87
43 H31 H 1H3 N N N 0 0.935 0.053 0.796
44 H32 H 2H3 N N N 0 -0.318 0.241 2.024
45 H121 H 1H12 N N N 0 -1.977 4.341 0.075
46 H122 H 2H12 N N N 0 -2.072 4.186 1.84
47 H92 H 2H9 N N N 0 -5.298 1.326 1.933
48 H91 H 1H9 N N N 0 -4.756 1.249 0.234