Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 6AO

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 46


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 S N N 0 3.101 -1.896 -0.208
2 N2 N N2 N N N 0 3.113 -2.773 -1.387
3 C3 C C3 N N N 0 2.873 -0.472 -0.643
4 O4 O O4 N N N 0 3.091 -0.146 -1.791
5 N5 N N5 N N N 0 2.427 0.44 0.243
6 C6 C C6 N N N 0 1.166 2.478 0.734
7 C7 C C7 S N N 0 2.205 1.825 -0.181
8 C8 C C8 N Y N 0 -0.162 1.79 0.557
9 C9 C C9 N Y N 0 -0.486 0.703 1.35
10 C10 C C10 N Y N 0 -1.702 0.069 1.192
11 C11 C C11 N Y N 0 -2.604 0.525 0.233
12 C12 C C12 N Y N 0 -2.273 1.62 -0.562
13 C13 C C13 N Y N 0 -1.056 2.25 -0.393
14 C14 C C14 N Y N 0 -3.912 -0.153 0.06
15 C15 C C15 N Y N 0 -4.814 0.304 -0.899
16 C16 C C16 N Y N 0 -6.03 -0.33 -1.057
17 C17 C C17 N Y N 0 -6.354 -1.417 -0.264
18 C18 C C18 N Y N 0 -5.462 -1.874 0.689
19 C19 C C19 N Y N 0 -4.241 -1.251 0.851
20 C20 C C20 N N N 0 4.444 -1.999 0.517
21 C21 C C21 N N N 0 4.62 -3.416 1.068
22 C22 C C22 N N N 0 3.5 2.59 -0.096
23 N23 N N23 N N N 0 4.565 2.002 0.301
24 H22 H H22 N N N 0 3.53 3.634 -0.371
25 H1 H H1 N N N 0 2.301 -2.203 0.465
26 H21N H H21N N N N 0 3.847 -2.509 -2.027
27 H22N H H22N N N N 0 3.2 -3.741 -1.117
28 H201 H H201 N N N 0 5.252 -1.778 -0.181
29 H202 H H202 N N N 0 4.469 -1.284 1.339
30 H5 H H5 N N N 0 2.252 0.18 1.16
31 H7 H H7 N N N 0 1.842 1.837 -1.209
32 H61C H H61C N N N 0 1.488 2.387 1.771
33 H62C H H62C N N N 0 1.067 3.532 0.476
34 H9 H H9 N N N 0 0.214 0.35 2.092
35 H15 H H15 N N N 0 -4.563 1.153 -1.518
36 H13 H H13 N N N 0 -0.8 3.102 -1.006
37 H10 H H10 N N N 0 -1.954 -0.78 1.811
38 H12 H H12 N N N 0 -2.968 1.978 -1.307
39 H19 H H19 N N N 0 -3.544 -1.612 1.592
40 H16 H H16 N N N 0 -6.73 0.023 -1.8
41 H17 H H17 N N N 0 -7.306 -1.91 -0.391
42 H18 H H18 N N N 0 -5.72 -2.723 1.306
43 H211 H H211 N N N 0 3.812 -3.637 1.766
44 H212 H H212 N N N 0 4.595 -4.131 0.245
45 H213 H H213 N N N 0 5.577 -3.489 1.584
46 H23 H H23 N N N 0 5.399 2.495 0.356