Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : S4Z

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 51


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N N N 0 4.23 2.082 0.91
2 C2 C C2 N Y N 0 3.597 0.883 0.363
3 C3 C C3 N Y N 0 3.682 0.445 -0.929
4 C7 C C4 N N N 0 0.489 -4.075 0.972
5 C8 C C5 N N N 0 0.858 -2.572 1.032
6 C9 C C6 N N N 0 1.84 -3.089 2.124
7 C10 C C7 N N N 0 -0.205 -1.539 1.412
8 C11 C C8 N N N 0 -2.367 -0.779 0.584
9 C12 C C9 N Y N 0 -3.48 -0.858 -0.372
10 C13 C C10 N Y N 0 -3.593 -1.717 -1.425
11 C14 C C11 N Y N 0 -5.464 -0.475 -1.47
12 C15 C C12 N Y N 0 -4.698 -0.03 -0.38
13 C16 C C13 N Y N 0 -5.176 1.004 0.422
14 C19 C C14 N N N 0 4.468 1.171 -1.991
15 F2 F F1 N N N 0 4.312 0.514 -3.217
16 F F F2 N N N 0 3.999 2.484 -2.103
17 F1 F F3 N N N 0 5.822 1.188 -1.64
18 N1 N N1 N Y N 0 3.02 -0.66 -1.163
19 C4 C C15 N Y N 0 2.379 -1.194 -0.163
20 S S S1 N Y N 0 2.595 -0.261 1.253
21 O O O1 N N N 0 4.99 2.737 0.221
22 N N N2 N N N 0 3.967 2.465 2.175
23 C C C16 N N N 0 4.601 3.666 2.724
24 N2 N N3 N N N 0 1.635 -2.352 -0.235
25 C6 C C17 N N N 0 2.028 -4.236 1.084
26 C5 C C18 N N N 0 2.52 -3.558 -0.241
27 N3 N N4 N N N 0 -1.269 -1.54 0.405
28 O1 O O2 N N N 0 -2.436 -0.026 1.537
29 C17 C C19 N Y N 0 -6.405 1.558 0.105
30 CL CL CL1 N N N 0 -7.059 2.85 1.063
31 C18 C C20 N Y N 0 -7.109 1.07 -0.986
32 N5 N N5 N Y N 0 -6.635 0.091 -1.728
33 N4 N N6 N Y N 0 -4.759 -1.491 -2.078
34 H1 H H1 N N N 0 -0.066 -4.438 1.837
35 H2 H H2 N N N 0 0.07 -4.4 0.02
36 H3 H H3 N N N 0 2.72 -2.464 2.273
37 H4 H H4 N N N 0 1.361 -3.395 3.054
38 H5 H H5 N N N 0 -0.626 -1.792 2.385
39 H6 H H6 N N N 0 0.251 -0.55 1.459
40 H7 H H7 N N N 0 -2.863 -2.466 -1.697
41 H8 H H8 N N N 0 -4.606 1.363 1.266
42 H9 H H9 N N N 0 3.358 1.945 2.723
43 H10 H H10 N N N 0 5.684 3.546 2.705
44 H11 H H11 N N N 0 4.321 4.531 2.123
45 H12 H H12 N N N 0 4.27 3.815 3.751
46 H13 H H13 N N N 0 2.473 -5.184 1.388
47 H14 H H14 N N N 0 2.326 -4.19 -1.107
48 H15 H H15 N N N 0 3.572 -3.28 -0.18
49 H16 H H16 N N N 0 -1.183 -2.088 -0.391
50 H17 H H17 N N N 0 -8.067 1.503 -1.232
51 H18 H H18 N N N 0 -5.058 -1.98 -2.86