Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : KS8

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 64


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C04 C C1 N N N 0 2.325 0.535 -0.793
2 C05 C C2 N N N 0 3.339 0.565 0.353
3 C06 C C3 N N N 0 4.672 -0.011 -0.13
4 C07 C C4 N N N 0 5.685 0.02 1.015
5 C08 C C5 N Y N 0 6.998 -0.548 0.54
6 C09 C C6 N Y N 0 7.95 0.286 -0.017
7 C10 C C7 N Y N 0 9.154 -0.234 -0.453
8 C11 C C8 N Y N 0 9.406 -1.588 -0.333
9 C12 C C9 N Y N 0 8.454 -2.422 0.224
10 C13 C C10 N Y N 0 7.252 -1.901 0.665
11 C14 C C11 N N N 0 -0.424 1.323 -1.619
12 C15 C C12 N N N 0 -1.692 2.003 -1.172
13 C18 C C13 N N N 0 -2.865 -0.204 -0.924
14 C19 C C14 S N N 0 -4.0 -0.574 0.064
15 C20 C C15 N N N 0 -5.001 0.59 -0.162
16 C21 C C16 S N N 0 -4.075 1.797 -0.418
17 C22 C C17 N N N 0 -3.895 2.584 0.854
18 C25 C C18 N N N 0 -4.63 -1.919 -0.303
19 C26 C C19 N N N 0 -3.57 -3.019 -0.22
20 C27 C C20 N N N 0 -4.2 -4.364 -0.587
21 C28 C C21 N N N 0 -5.338 -4.677 0.387
22 C29 C C22 N N N 0 -6.398 -3.577 0.303
23 C30 C C23 N N N 0 -5.768 -2.232 0.67
24 H041 H H2 N N N 0 2.179 -0.494 -1.122
25 H042 H H1 N N N 0 2.699 1.132 -1.625
26 H051 H H3 N N N 0 3.486 1.594 0.681
27 H052 H H4 N N N 0 2.965 -0.032 1.184
28 H061 H H6 N N N 0 5.046 0.587 -0.962
29 H062 H H5 N N N 0 4.525 -1.039 -0.459
30 H071 H H8 N N N 0 5.312 -0.577 1.847
31 H072 H H7 N N N 0 5.832 1.049 1.344
32 H091 H H9 N N N 0 7.753 1.344 -0.111
33 H1 H H33 N N N 0 -0.049 -0.64 0.626
34 H101 H H10 N N N 0 9.898 0.417 -0.888
35 H111 H H11 N N N 0 10.347 -1.995 -0.674
36 H121 H H12 N N N 0 8.651 -3.48 0.318
37 H131 H H13 N N N 0 6.51 -2.551 1.104
38 H141 H H15 N N N 0 0.031 1.897 -2.427
39 H142 H H14 N N N 0 -0.655 0.318 -1.973
40 H181 H H17 N N N 0 -3.119 -0.53 -1.932
41 H182 H H16 N N N 0 -1.924 -0.652 -0.605
42 H191 H H18 N N N 0 -3.636 -0.582 1.092
43 H2 H H34 N N N 0 -4.684 3.928 2.074
44 H201 H H19 N N N 0 -5.63 0.394 -1.031
45 H202 H H20 N N N 0 -5.61 0.753 0.727
46 H211 H H21 N N N 0 -4.504 2.436 -1.191
47 H251 H H22 N N N 0 -5.024 -1.87 -1.319
48 H261 H H24 N N N 0 -3.176 -3.067 0.795
49 H262 H H23 N N N 0 -2.759 -2.795 -0.914
50 H271 H H25 N N N 0 -4.594 -4.315 -1.603
51 H272 H H26 N N N 0 -3.444 -5.147 -0.528
52 H281 H H27 N N N 0 -5.786 -5.635 0.125
53 H282 H H28 N N N 0 -4.944 -4.725 1.402
54 H291 H H30 N N N 0 -7.208 -3.8 0.997
55 H292 H H29 N N N 0 -6.792 -3.528 -0.712
56 H301 H H32 N N N 0 -6.523 -1.448 0.611
57 H302 H H31 N N N 0 -5.374 -2.281 1.686
58 N17 N N1 N N N 0 -2.779 1.267 -0.866
59 O01 O O1 N N N 0 0.121 0.265 0.922
60 O03 O O2 N N N 0 0.958 2.574 0.34
61 O16 O O3 N N N 0 -1.735 3.212 -1.088
62 O23 O O4 N N N 0 -2.895 2.44 1.517
63 O24 O O5 N N N 0 -4.845 3.446 1.251
64 P02 P P1 N N N 0 0.738 1.221 -0.218