Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

PDBeChem : Atoms of Molecule

 Molecule : O5I

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 54


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 5.665 0.551 0.003
2 C2 C C2 N N N 0 6.364 1.217 -1.154
3 N3 N N1 N N N 0 -2.245 -0.9 -1.301
4 C4 C C3 N N N 0 2.133 0.187 1.109
5 C5 C C4 N N N 0 1.615 -0.53 -0.14
6 C7 C C5 N N N 0 -1.582 -1.557 0.948
7 C8 C C6 N N N 0 -2.146 -2.026 -0.369
8 C9 C C7 N Y N 0 -2.964 0.243 -0.943
9 C10 C C8 N Y N 0 -2.957 1.358 -1.771
10 C11 C C9 N Y N 0 -3.668 2.487 -1.415
11 C12 C C10 N Y N 0 -4.389 2.508 -0.233
12 C13 C C11 N Y N 0 -4.397 1.398 0.594
13 C14 C C12 N Y N 0 -3.693 0.265 0.24
14 C15 C C13 N N N 0 -3.537 -2.657 -0.153
15 C16 C C14 N N N 0 -3.577 -3.84 -1.151
16 C17 C C15 N N N 0 -2.13 -4.389 -1.088
17 C18 C C16 N N N 0 -1.251 -3.126 -0.964
18 C19 C C17 N N N 0 -0.073 -0.125 2.238
19 O1 O O1 N N N 0 6.311 -0.036 0.845
20 N1 N N2 N N N 0 4.322 0.612 0.105
21 C3 C C18 N N N 0 3.643 -0.031 1.232
22 C6 C C19 N N N 0 0.11 -0.282 -0.279
23 N2 N N3 N N N 0 -0.553 -0.687 0.968
24 O2 O O2 N N N 0 -2.055 -1.962 1.989
25 CL2 CL CL1 N N N 0 -5.282 3.928 0.212
26 C20 C C20 N N N 0 1.435 -0.375 2.349
27 H1 H H1 N N N 0 6.01 0.786 -2.09
28 H2 H H2 N N N 0 6.149 2.286 -1.141
29 H4 H H4 N N N 0 -1.811 -0.948 -2.168
30 H5 H H5 N N N 0 1.926 1.254 1.028
31 H6 H H6 N N N 0 2.13 -0.146 -1.02
32 H7 H H7 N N N 0 1.801 -1.6 -0.048
33 H8 H H8 N N N 0 -2.395 1.343 -2.693
34 H9 H H9 N N N 0 -3.663 3.354 -2.058
35 H10 H H10 N N N 0 -4.96 1.418 1.516
36 H11 H H11 N N N 0 -3.704 -0.602 0.883
37 H12 H H12 N N N 0 -3.638 -3.017 0.871
38 H13 H H13 N N N 0 -4.323 -1.937 -0.383
39 H14 H H14 N N N 0 -4.292 -4.596 -0.826
40 H15 H H15 N N N 0 -3.813 -3.49 -2.156
41 H19 H H19 N N N 0 -0.408 -3.321 -0.301
42 H16 H H16 N N N 0 -2.003 -5.03 -0.215
43 H17 H H17 N N N 0 -1.889 -4.935 -2.0
44 H18 H H18 N N N 0 -0.89 -2.823 -1.947
45 H20 H H20 N N N 0 -0.268 0.947 2.261
46 H21 H H21 N N N 0 -0.586 -0.61 3.069
47 H22 H H22 N N N 0 3.806 1.082 -0.569
48 H23 H H23 N N N 0 3.998 0.405 2.166
49 H24 H H24 N N N 0 3.858 -1.099 1.225
50 H25 H H25 N N N 0 -0.07 0.777 -0.461
51 H26 H H26 N N N 0 -0.282 -0.87 -1.109
52 H27 H H27 N N N 0 1.622 -1.447 2.418
53 H28 H H28 N N N 0 1.821 0.119 3.24
54 CL1 CL CL2 N N Y 0 8.143 0.96 -1.009