Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : QAO

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 56


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C10 C C1 N N N 0 3.415 -0.239 0.087
2 C13 C C2 N Y N 0 5.672 -2.417 -0.918
3 C11 C C3 N N N 0 4.724 -0.112 -0.696
4 C12 C C4 N Y N 0 5.674 -1.199 -0.266
5 O01 O O1 N N N 0 -2.58 2.752 1.697
6 C02 C C5 N N N 0 -1.474 2.849 1.208
7 C03 C C6 N N N 0 -0.675 4.112 1.399
8 CL04 CL CL1 N N N 0 -1.709 5.366 2.178
9 N06 N N1 N N N 0 -0.961 1.827 0.496
10 C07 C C7 R N N 0 0.317 1.99 -0.203
11 C08 C C8 N N N 0 1.268 0.904 0.228
12 N09 N N2 N N N 0 2.491 0.818 -0.331
13 C14 C C9 N Y N 0 6.543 -3.415 -0.524
14 C15 C C10 N Y N 0 7.422 -3.194 0.519
15 C16 C C11 N Y N 0 7.429 -1.972 1.17
16 F17 F F1 N N N 0 8.288 -1.754 2.19
17 C18 C C12 N Y N 0 6.549 -0.977 0.782
18 O19 O O2 N N N 0 0.932 0.106 1.077
19 C20 C C13 N Y N 0 0.091 1.9 -1.69
20 C21 C C14 N Y N 0 -1.116 1.448 -2.188
21 N22 N N3 N Y N 0 -1.321 1.366 -3.489
22 C23 C C15 N Y N 0 -0.393 1.71 -4.36
23 C24 C C16 N Y N 0 0.839 2.172 -3.935
24 C25 C C17 N Y N 0 1.09 2.276 -2.576
25 C26 C C18 N Y N 0 -1.647 0.61 0.423
26 C27 C C19 N Y N 0 -1.206 -0.387 -0.437
27 C28 C C20 N Y N 0 -1.885 -1.588 -0.506
28 C29 C C21 N Y N 0 -2.767 0.394 1.215
29 C30 C C22 N Y N 0 -3.442 -0.809 1.141
30 C31 C C23 N Y N 0 -3.003 -1.798 0.28
31 S32 S S1 N N N 0 -3.891 -3.372 0.187
32 F33 F F2 N N N 0 -5.292 -2.58 0.141
33 F34 F F3 N N N 0 -3.971 -3.422 1.794
34 F35 F F4 N N N 0 -2.49 -4.165 0.233
35 F36 F F5 N N N 0 -4.68 -4.773 0.104
36 F37 F F6 N N N 0 -3.81 -3.322 -1.421
37 H1 H H1 N N N 0 2.967 -1.213 -0.11
38 H2 H H2 N N N 0 3.619 -0.142 1.153
39 H3 H H3 N N N 0 4.985 -2.591 -1.733
40 H4 H H4 N N N 0 4.519 -0.209 -1.762
41 H5 H H5 N N N 0 5.172 0.862 -0.499
42 H6 H H6 N N N 0 0.186 3.905 2.034
43 H8 H H8 N N N 0 0.743 2.964 0.042
44 H9 H H9 N N N 0 2.759 1.456 -1.011
45 H10 H H10 N N N 0 6.537 -4.369 -1.031
46 H11 H H11 N N N 0 8.103 -3.974 0.827
47 H12 H H12 N N N 0 6.553 -0.023 1.289
48 H13 H H13 N N N 0 -1.9 1.157 -1.505
49 H14 H H14 N N N 0 -0.597 1.629 -5.417
50 H15 H H15 N N N 0 1.596 2.451 -4.654
51 H16 H H16 N N N 0 2.043 2.634 -2.215
52 H17 H H17 N N N 0 -0.333 -0.224 -1.052
53 H18 H H18 N N N 0 -1.543 -2.364 -1.175
54 H19 H H19 N N N 0 -3.11 1.166 1.888
55 H20 H H20 N N N 0 -4.313 -0.977 1.758
56 CL05 CL CL05 N N Y 0 -0.108 4.712 -0.205