Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

PDBeChem : Atoms of Molecule

 Molecule : QOP

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 44


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C10 C C1 N Y N 0 -1.832 -1.133 0.778
2 C13 C C2 N Y N 0 0.571 -0.926 0.282
3 C14 C C3 N N N 0 1.975 -1.027 -0.128
4 C16 C C4 N Y N 0 4.194 -0.182 -0.115
5 C18 C C5 N Y N 0 5.882 -1.415 -1.092
6 C21 C C6 N Y N 0 6.437 0.638 0.0
7 C22 C C7 N N N 0 7.446 1.671 0.432
8 C26 C C8 N Y N 0 5.095 0.792 0.3
9 C02 C C9 N Y N 0 -8.283 1.743 -0.713
10 C04 C C10 N Y N 0 -6.445 3.022 -0.18
11 C06 C C11 N Y N 0 -6.221 0.733 -0.032
12 C07 C C12 N N N 0 -5.388 -0.457 0.269
13 C09 C C13 R N N 0 -3.287 -1.478 0.963
14 C12 C C14 N Y N 0 0.01 0.1 0.971
15 C19 C C15 N Y N 0 6.833 -0.489 -0.707
16 C29 C C16 N N N 0 -3.528 -1.916 2.409
17 C31 C C17 N Y N 0 -7.543 0.586 -0.442
18 F23 F F1 N N N 0 8.395 1.075 1.27
19 F24 F F2 N N N 0 8.085 2.198 -0.696
20 F25 F F3 N N N 0 6.795 2.7 1.122
21 N01 N N1 N N N 0 -9.605 1.653 -1.118
22 N03 N N2 N Y N 0 -7.701 2.927 -0.57
23 N05 N N3 N Y N 0 -5.714 1.961 0.085
24 N08 N N4 N N N 0 -4.109 -0.302 0.665
25 N11 N N5 N Y N 0 -1.268 -0.052 1.214
26 N15 N N6 N N N 0 2.839 -0.039 0.18
27 N17 N N7 N Y N 0 4.609 -1.241 -0.792
28 O27 O O1 N N N 0 2.36 -2.002 -0.746
29 O30 O O2 N N N 0 -5.859 -1.572 0.159
30 S28 S S1 N Y N 0 -0.691 -2.116 -0.029
31 CL20 CL CL1 N N N 0 8.505 -0.73 -1.11
32 CL32 CL CL2 N N N 0 -8.254 -0.989 -0.611
33 H1 H H1 N N N 0 6.184 -2.291 -1.646
34 H2 H H2 N N N 0 4.752 1.657 0.848
35 H3 H H3 N N N 0 -6.002 4.002 -0.074
36 H4 H H4 N N N 0 -3.556 -2.29 0.288
37 H5 H H5 N N N 0 0.569 0.967 1.291
38 H6 H H6 N N N 0 -3.259 -1.103 3.084
39 H7 H H7 N N N 0 -4.581 -2.165 2.543
40 H8 H H8 N N N 0 -2.916 -2.79 2.631
41 H9 H H9 N N N 0 -10.113 2.46 -1.3
42 H10 H H10 N N N 0 -10.023 0.784 -1.22
43 H11 H H11 N N N 0 -3.733 0.587 0.753
44 H12 H H12 N N N 0 2.518 0.77 0.607