Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : A6S

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 63


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N Y N 0 -2.627 -2.909 -1.104
2 C2 C C2 N Y N 0 -2.301 -4.199 -0.792
3 C3 C C3 N Y N 0 -1.094 -4.49 -0.166
4 O1 O O1 N N N 0 8.221 1.655 0.501
5 C11 C C4 N Y N 0 1.668 -1.406 1.854
6 C12 C C5 N Y N 0 2.918 -1.241 2.416
7 C13 C C6 N Y N 0 3.625 0.052 0.635
8 C14 C C7 N Y N 0 2.394 -0.078 0.001
9 C15 C C8 N Y N 0 4.704 0.841 -0.009
10 C16 C C9 N Y N 0 5.976 0.877 0.558
11 C17 C C10 N Y N 0 6.979 1.616 -0.049
12 C18 C C11 N Y N 0 6.716 2.316 -1.218
13 C19 C C12 N Y N 0 5.454 2.28 -1.781
14 C20 C C13 N Y N 0 4.45 1.542 -1.187
15 C21 C C14 N N N 0 9.207 2.435 -0.177
16 C22 C C15 N N N 0 -5.059 1.358 -1.228
17 C23 C C16 N N N 0 -6.165 1.546 -0.187
18 C24 C C17 N N N 0 -5.637 2.399 0.968
19 C25 C C18 N N N 0 -6.742 2.587 2.009
20 C26 C C19 N N N 0 -7.939 3.288 1.362
21 C27 C C20 N N N 0 -8.466 2.435 0.207
22 C28 C C21 N N N 0 -7.361 2.247 -0.834
23 C10 C C22 N Y N 0 1.391 -0.817 0.621
24 C4 C C23 N Y N 0 -0.206 -3.482 0.151
25 C5 C C24 N Y N 0 -1.743 -1.875 -0.792
26 F1 F F1 N N N 0 -0.788 -5.771 0.135
27 C6 C C25 N Y N 0 -0.52 -2.163 -0.158
28 C7 C C26 N Y N 0 -0.627 0.063 -0.472
29 C8 C C27 N Y N 0 -1.772 -0.421 -0.977
30 C9 C C28 N N N 0 -2.878 0.379 -1.614
31 N1 N N1 N Y N 0 0.137 -0.964 0.023
32 N2 N N2 N N N 0 -3.96 0.58 -0.641
33 N3 N N3 N Y N 0 3.847 -0.531 1.807
34 H1 H H1 N N N 0 -3.564 -2.691 -1.594
35 H2 H H2 N N N 0 -2.985 -4.998 -1.033
36 H3 H H3 N N N 0 0.914 -1.99 2.362
37 H4 H H4 N N N 0 3.137 -1.699 3.369
38 H5 H H5 N N N 0 2.216 0.397 -0.953
39 H6 H H6 N N N 0 6.179 0.332 1.467
40 H7 H H7 N N N 0 7.499 2.891 -1.689
41 H8 H H8 N N N 0 5.254 2.826 -2.691
42 H9 H H9 N N N 0 3.466 1.512 -1.632
43 H10 H H10 N N N 0 10.15 2.381 0.366
44 H11 H H11 N N N 0 9.346 2.048 -1.186
45 H12 H H12 N N N 0 8.877 3.473 -0.228
46 H13 H H13 N N N 0 -5.46 0.826 -2.092
47 H14 H H14 N N N 0 -4.687 2.332 -1.543
48 H15 H H15 N N N 0 -6.476 0.572 0.192
49 H16 H H16 N N N 0 -4.785 1.9 1.429
50 H17 H H17 N N N 0 -5.326 3.372 0.588
51 H18 H H18 N N N 0 -7.053 1.614 2.389
52 H19 H H19 N N N 0 -6.367 3.195 2.832
53 H20 H H20 N N N 0 -8.726 3.422 2.104
54 H21 H H21 N N N 0 -7.628 4.261 0.982
55 H22 H H22 N N N 0 -8.777 1.461 0.586
56 H23 H H23 N N N 0 -9.318 2.934 -0.254
57 H24 H H24 N N N 0 -7.05 3.22 -1.214
58 H25 H H25 N N N 0 -7.736 1.639 -1.657
59 H26 H H26 N N N 0 0.729 -3.717 0.637
60 H27 H H27 N N N 0 -0.347 1.106 -0.458
61 H28 H H28 N N N 0 -2.491 1.347 -1.931
62 H30 H H30 N N N 0 -4.293 -0.303 -0.283
63 H29 H H29 N N N 0 -3.264 -0.16 -2.48