Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 8O1

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 50


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 1.451 -0.313 0.404
2 C5 C C2 N Y N 0 -1.415 -3.001 -2.579
3 C6 C C3 N Y N 0 -1.289 -1.722 -0.759
4 C7 C C4 N Y N 0 0.153 0.157 0.222
5 C8 C C5 N Y N 0 -0.06 1.513 -0.058
6 C10 C C6 N Y N 0 -2.386 -2.579 -0.619
7 C13 C C7 N N N 0 -3.165 -2.5 0.55
8 C15 C C8 N N N 0 -3.507 5.081 -1.115
9 C17 C C9 N N N 0 6.131 -1.072 -1.053
10 C20 C C10 N N N 0 4.702 -0.53 -1.121
11 C1 C C11 N Y N 0 1.022 2.375 -0.15
12 C2 C C12 N Y N 0 2.306 1.895 0.032
13 C3 C C13 N Y N 0 -0.698 -2.012 -2.004
14 C9 C C14 N Y N 0 2.519 0.557 0.309
15 C11 C C15 N N N 0 -1.802 -0.763 1.417
16 C12 C C16 N N N 0 -0.997 -0.772 0.322
17 C14 C C17 N N N 0 -3.739 4.611 0.322
18 C16 C C18 N N N 0 -3.076 3.676 -0.691
19 C18 C C19 N N N 0 -3.699 -1.566 2.718
20 C19 C C20 N N N 0 -1.577 3.413 -0.534
21 N21 N N1 N Y N 0 -2.439 -3.355 -1.754
22 N22 N N2 N N N 0 -2.862 -1.616 1.517
23 N23 N N3 N N N 0 -1.357 1.995 -0.242
24 O24 O O1 N N N 0 -4.126 -3.24 0.688
25 O25 O O2 N N N 0 4.004 -1.184 1.37
26 O26 O O3 N N N 0 4.887 1.096 0.987
27 S27 S S1 N N N 0 4.161 -0.041 0.54
28 H4 H H1 N N N 0 1.622 -1.357 0.624
29 H5 H H2 N N N 0 -1.21 -3.44 -3.544
30 H152 H H3 N N N 0 -4.379 5.165 -1.764
31 H151 H H4 N N N 0 -2.723 5.819 -1.284
32 H173 H H5 N N N 0 6.795 -0.298 -0.667
33 H172 H H6 N N N 0 6.16 -1.938 -0.391
34 H171 H H7 N N N 0 6.457 -1.365 -2.05
35 H1 H H10 N N N 0 0.862 3.421 -0.365
36 H2 H H11 N N N 0 3.147 2.569 -0.041
37 H3 H H12 N N N 0 0.172 -1.531 -2.424
38 H11 H H13 N N N 0 -1.599 -0.071 2.221
39 H142 H H14 N N N 0 -3.107 5.04 1.1
40 H141 H H15 N N N 0 -4.764 4.387 0.619
41 H16 H H16 N N N 0 -3.665 2.836 -1.06
42 H183 H H17 N N N 0 -4.495 -2.306 2.637
43 H181 H H18 N N N 0 -3.089 -1.783 3.595
44 H182 H H19 N N N 0 -4.135 -0.572 2.816
45 H191 H H20 N N N 0 -1.064 3.678 -1.459
46 H192 H H21 N N N 0 -1.186 4.018 0.284
47 H21 H H22 N N N 0 -3.099 -4.043 -1.937
48 H23 H H23 N N N 0 -2.113 1.39 -0.178
49 H201 H H26 N N N 0 4.674 0.337 -1.782
50 H202 H H27 N N N 0 4.038 -1.303 -1.507