Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 8DS

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 34


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C2 C C1 N N N 0 -0.61 -0.453 0.01
2 C4 C C2 N N N 0 1.789 -0.031 0.005
3 C5 C C3 N N N 0 2.734 1.172 0.0
4 C6 C C4 N Y N 0 4.162 0.69 -0.001
5 C7 C C5 N Y N 0 4.815 0.465 -1.199
6 C8 C C6 N Y N 0 6.124 0.023 -1.2
7 C11 C C7 N Y N 0 4.82 0.477 1.196
8 C15 C C8 N Y N 0 -4.191 1.27 -0.003
9 C16 C C9 N Y N 0 -4.317 -0.127 -0.001
10 C17 C C10 N Y N 0 -3.078 -0.781 0.003
11 C18 C C11 N Y N 0 -5.63 -0.663 -0.003
12 O1 O O1 N N N 0 -0.371 -1.645 0.013
13 N3 N N1 N N N 0 0.402 0.438 0.006
14 C9 C C12 N Y N 0 6.782 -0.195 -0.003
15 C10 C C13 N Y N 0 6.13 0.035 1.196
16 CL12 CL CL1 N N N 0 8.427 -0.75 -0.004
17 C13 C C14 N Y N 0 -2.005 0.019 0.005
18 S14 S S1 N Y N 0 -2.488 1.706 0.001
19 CL19 CL CL2 N N N 0 -5.876 -2.381 -0.001
20 C20 C C15 N Y N 0 -6.695 0.185 -0.007
21 N21 N N2 N Y N 0 -6.536 1.498 -0.009
22 C22 C C16 N Y N 0 -5.346 2.056 -0.002
23 H1 H H1 N N N 0 1.968 -0.637 -0.883
24 H2 H H2 N N N 0 1.971 -0.632 0.896
25 H3 H H3 N N N 0 2.553 1.773 -0.891
26 H4 H H4 N N N 0 2.556 1.778 0.889
27 H5 H H5 N N N 0 4.301 0.635 -2.133
28 H6 H H6 N N N 0 6.634 -0.153 -2.136
29 H7 H H7 N N N 0 4.312 0.657 2.132
30 H8 H H8 N N N 0 -2.994 -1.858 0.005
31 H9 H H9 N N N 0 0.211 1.389 0.004
32 H10 H H10 N N N 0 6.644 -0.131 2.131
33 H11 H H11 N N N 0 -7.695 -0.225 -0.009
34 H12 H H12 N N N 0 -5.261 3.132 -0.004