Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : A9L

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 C4 C C1 N Y N 0 -4.01 0.678 0.234
2 C14 C C2 N N N 0 0.715 -4.672 0.977
3 C5 C C3 N Y N 0 -2.65 0.389 0.328
4 C6 C C4 N Y N 0 -1.956 0.677 1.522
5 C11 C C5 S N N 0 0.766 -0.763 -0.555
6 C7 C C6 N N N 0 -1.655 -0.196 -0.588
7 C8 C C7 N N N 0 -0.559 0.254 1.288
8 C9 C C8 N N N 0 -5.819 1.089 -1.245
9 C10 C C9 N N N 0 -6.525 0.841 -2.553
10 C12 C C10 N N N 0 1.217 -2.007 0.213
11 C13 C C11 N Y N 0 1.843 0.29 -0.483
12 N1 N N1 N N N 0 -0.467 -0.242 0.04
13 N2 N N2 N N N 0 -4.707 0.393 -0.937
14 C3 C C12 N Y N 0 -4.669 1.248 1.323
15 C1 C C13 N Y N 0 -2.628 1.242 2.592
16 C15 C C14 N Y N 0 3.169 -0.087 -0.376
17 C16 C C15 N Y N 0 4.16 0.879 -0.31
18 C17 C C16 N Y N 0 3.817 2.228 -0.353
19 C18 C C17 N Y N 0 2.486 2.598 -0.461
20 C19 C C18 N Y N 0 1.503 1.628 -0.531
21 C2 C C19 N Y N 0 -3.983 1.526 2.486
22 C20 C C20 N N N 0 5.742 -0.89 -0.166
23 C21 C C21 N N N 0 7.252 -1.108 -0.046
24 C22 C C22 N N N 0 4.359 4.543 -0.326
25 O1 O O1 N N N 0 -6.253 1.914 -0.469
26 O2 O O2 N N N 0 0.352 0.34 2.086
27 O3 O O3 N N N 0 -1.873 -0.575 -1.722
28 O4 O O4 N N N 0 -0.03 -3.714 -1.363
29 O5 O O5 N N N 0 -1.222 -2.918 0.626
30 O6 O O6 N N N 0 5.465 0.511 -0.205
31 O7 O O7 N N N 0 4.785 3.18 -0.283
32 S1 S S1 N N N 0 -0.011 -3.325 0.0030
33 H1 H H1 N N N 0 0.826 -4.352 2.013
34 H2 H H2 N N N 0 0.062 -5.544 0.935
35 H3 H H3 N N N 0 1.692 -4.93 0.569
36 H4 H H4 N N N 0 0.584 -1.025 -1.597
37 H5 H H5 N N N 0 -5.993 0.072 -3.113
38 H6 H H6 N N N 0 -7.545 0.51 -2.359
39 H7 H H7 N N N 0 -6.547 1.763 -3.134
40 H8 H H8 N N N 0 2.18 -2.343 -0.173
41 H9 H H9 N N N 0 1.314 -1.765 1.271
42 H10 H H10 N N N 0 -4.391 -0.306 -1.531
43 H11 H H11 N N N 0 -5.723 1.474 1.255
44 H12 H H12 N N N 0 -2.1 1.463 3.507
45 H13 H H13 N N N 0 3.432 -1.133 -0.343
46 H14 H H14 N N N 0 2.217 3.643 -0.493
47 H15 H H15 N N N 0 0.465 1.918 -0.615
48 H16 H H16 N N N 0 -4.504 1.967 3.323
49 H17 H H17 N N N 0 5.379 -1.357 -1.082
50 H18 H H18 N N N 0 5.241 -1.336 0.693
51 H19 H H19 N N N 0 7.615 -0.64 0.869
52 H20 H H20 N N N 0 7.464 -2.177 -0.017
53 H21 H H21 N N N 0 7.753 -0.662 -0.905
54 H22 H H22 N N N 0 5.228 5.198 -0.262
55 H23 H H23 N N N 0 3.832 4.73 -1.262
56 H24 H H24 N N N 0 3.692 4.742 0.512