Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : S58

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 37


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 1.383 0.005 -2.987
2 C2 C C2 N Y N 0 0.862 0.013 -1.724
3 C3 C C3 N Y N 0 0.319 -0.006 -3.89
4 C4 C C4 N N N 0 0.44 -0.014 -5.392
5 C5 C C5 N Y N 0 -1.422 -0.002 -0.794
6 C6 C C6 N Y N 0 -2.578 0.762 -0.883
7 C7 C C7 N Y N 0 -3.488 0.759 0.155
8 C8 C C8 N Y N 0 -3.249 -0.004 1.283
9 C9 C C9 N Y N 0 -2.096 -0.762 1.377
10 C10 C C10 N Y N 0 -1.185 -0.767 0.339
11 C11 C C11 N Y N 0 1.628 0.028 -0.459
12 C12 C C12 N Y N 0 2.785 -0.741 -0.332
13 C13 C C13 N Y N 0 3.496 -0.724 0.849
14 C14 C C14 N Y N 0 3.063 0.054 1.909
15 C15 C C15 N Y N 0 1.916 0.82 1.789
16 C16 C C16 N Y N 0 1.2 0.815 0.61
17 N1 N N1 N Y N 0 -0.498 -0.001 -1.847
18 N2 N N2 N Y N 0 -0.802 -0.01 -3.214
19 N3 N N3 N N N 0 -5.494 -1.224 2.313
20 O1 O O1 N N N 0 -5.148 1.203 2.475
21 O2 O O2 N N N 0 -3.685 -0.404 3.76
22 BR1 BR BR1 N N N 0 4.043 0.072 3.526
23 F1 F F1 N N N 0 -0.836 -0.026 -5.963
24 F2 F F2 N N N 0 1.127 1.13 -5.81
25 F3 F F3 N N N 0 1.143 -1.154 -5.797
26 S1 S S1 N N N 0 -4.413 -0.005 2.606
27 H1 H H1 N N N 0 2.433 0.011 -3.242
28 H6 H H6 N N N 0 -2.765 1.358 -1.764
29 H7 H H7 N N N 0 -4.387 1.354 0.086
30 H9 H H9 N N N 0 -1.912 -1.356 2.259
31 H10 H H10 N N N 0 -0.287 -1.363 0.411
32 H12 H H12 N N N 0 3.124 -1.349 -1.158
33 H13 H H13 N N N 0 4.391 -1.319 0.948
34 H15 H H15 N N N 0 1.583 1.426 2.619
35 H16 H H16 N N N 0 0.305 1.413 0.517
36 HN31 H 1HN3 N N N 0 -6.221 -1.388 2.934
37 HN32 H 2HN3 N N N 0 -5.404 -1.772 1.517