Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 9NQ

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 57


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 7.968 -2.175 0.236
2 C2 C C2 N N N 0 6.62 -2.047 -0.425
3 C3 C C3 N N N 0 5.925 -0.254 1.184
4 O1 O O1 N N N 0 -4.939 -2.987 0.516
5 C11 C C4 N N N 0 -2.081 2.49 0.543
6 C12 C C5 N N N 0 -0.267 0.96 0.111
7 C13 C C6 N Y N 0 0.634 2.16 0.016
8 C14 C C7 N Y N 0 -2.512 0.243 -0.064
9 C15 C C8 N Y N 0 -2.029 -0.978 0.383
10 C16 C C9 N Y N 0 -4.14 -1.907 0.32
11 C17 C C10 N N N 0 -4.31 -4.184 0.979
12 C18 C C11 N Y N 0 -4.695 -0.715 -0.129
13 C19 C C12 N Y N 0 -3.874 0.38 -0.326
14 C20 C C13 N N N 0 -6.175 -0.618 -0.399
15 F2 F F1 N N N 0 -6.531 -1.543 -1.385
16 F F F2 N N N 0 -6.883 -0.892 0.776
17 F1 F F3 N N N 0 -6.484 0.674 -0.838
18 N5 N N1 N Y N 0 -2.844 -2.001 0.559
19 N4 N N2 N N N 0 -1.643 1.326 -0.243
20 C10 C C14 N N N 0 -1.334 3.727 0.043
21 C9 C C15 N Y N 0 0.144 3.443 -0.013
22 N3 N N3 N Y N 0 0.997 4.459 -0.092
23 C8 C C16 N Y N 0 2.296 4.254 -0.147
24 N2 N N4 N Y N 0 2.809 3.04 -0.125
25 C7 C C17 N Y N 0 2.019 1.974 -0.044
26 N1 N N5 N N N 0 2.56 0.698 -0.02
27 C5 C C18 S N N 0 4.012 0.516 -0.083
28 C4 C C19 N N N 0 4.644 0.594 1.332
29 C6 C C20 N N N 0 4.373 -0.929 -0.507
30 N N N6 N N N 0 5.722 -1.158 0.043
31 O O O2 N N N 0 6.343 -2.744 -1.378
32 C C C21 N N N 0 8.789 -3.247 -0.484
33 H1 H H1 N N N 0 8.491 -1.22 0.183
34 H2 H H2 N N N 0 7.835 -2.46 1.28
35 H3 H H3 N N N 0 6.78 0.395 0.996
36 H4 H H4 N N N 0 6.094 -0.835 2.091
37 H5 H H5 N N N 0 -3.154 2.635 0.415
38 H6 H H6 N N N 0 -1.855 2.326 1.597
39 H7 H H7 N N N 0 0.088 0.187 -0.57
40 H8 H H8 N N N 0 -0.25 0.577 1.132
41 H9 H H9 N N N 0 -0.975 -1.093 0.588
42 H10 H H10 N N N 0 -3.559 -4.502 0.255
43 H11 H H11 N N N 0 -3.832 -3.995 1.94
44 H12 H H12 N N N 0 -5.059 -4.967 1.093
45 H13 H H13 N N N 0 -4.278 1.319 -0.675
46 H14 H H14 N N N 0 -1.69 3.988 -0.953
47 H15 H H15 N N N 0 -1.517 4.56 0.722
48 H16 H H16 N N N 0 2.96 5.103 -0.211
49 H17 H H17 N N N 0 1.976 -0.075 0.039
50 H18 H H18 N N N 0 4.466 1.245 -0.754
51 H19 H H19 N N N 0 3.978 0.159 2.076
52 H20 H H20 N N N 0 4.891 1.624 1.588
53 H21 H H21 N N N 0 3.664 -1.638 -0.078
54 H22 H H22 N N N 0 4.386 -1.014 -1.593
55 H23 H H23 N N N 0 8.267 -4.202 -0.431
56 H24 H H24 N N N 0 8.922 -2.963 -1.528
57 H25 H H25 N N N 0 9.764 -3.34 -0.005