Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : IGI

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 48


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C10 C C1 N Y N 0 -1.948 0.015 0.495
2 C13 C C2 N N N 0 0.273 -0.214 -0.585
3 C16 C C3 N Y N 0 3.721 -1.26 0.017
4 C17 C C4 N Y N 0 3.828 0.082 0.023
5 C19 C C5 N N N 0 1.811 -2.889 -0.3
6 C20 C C6 N N N 0 5.097 0.868 0.228
7 C21 C C7 N N N 0 5.854 1.03 -1.107
8 C22 C C8 N N N 0 7.353 0.914 -0.779
9 C23 C C9 N N N 0 7.455 0.687 0.743
10 C24 C C10 N N N 0 6.082 0.083 1.13
11 N1 N N1 N Y N 0 -6.334 -0.31 -0.269
12 C2 C C11 N Y N 0 -6.227 1.019 -0.273
13 C3 C C12 N Y N 0 -5.035 1.627 -0.072
14 C4 C C13 N Y N 0 -5.287 -1.077 -0.072
15 C5 C C14 N N N 0 -5.436 -2.576 -0.071
16 C6 C C15 N N N 0 -4.942 3.131 -0.079
17 C7 C C16 N Y N 0 -4.025 -0.491 0.141
18 N8 N N2 N Y N 0 -3.922 0.874 0.138
19 N11 N N4 N Y N 0 -2.811 -0.979 0.354
20 N9 N N3 N Y N 0 -2.573 1.165 0.371
21 C12 C C17 N N N 0 -0.471 -0.147 0.75
22 C14 C C18 N Y N 0 1.749 -0.376 -0.33
23 N15 N N5 N Y N 0 2.402 -1.552 -0.206
24 N18 N N6 N Y N 0 2.607 0.596 -0.186
25 H34 H H1 N N N 0 -0.091 -1.065 -1.161
26 H35 H H2 N N N 0 0.1 0.705 -1.145
27 H36 H H3 N N N 0 4.523 -1.971 0.157
28 H39 H H6 N N N 0 0.776 -2.853 0.04
29 H37 H H4 N N N 0 1.842 -3.228 -1.336
30 H38 H H5 N N N 0 2.376 -3.58 0.326
31 H40 H H7 N N N 0 4.875 1.844 0.66
32 H41 H H8 N N N 0 5.562 0.241 -1.8
33 H42 H H9 N N N 0 5.641 2.006 -1.541
34 H43 H H10 N N N 0 7.788 0.069 -1.313
35 H44 H H11 N N N 0 7.868 1.835 -1.054
36 H45 H H12 N N N 0 8.257 -0.015 0.971
37 H46 H H13 N N N 0 7.615 1.632 1.26
38 H47 H H14 N N N 0 5.865 0.26 2.183
39 H48 H H15 N N N 0 6.049 -0.982 0.901
40 H25 H H16 N N N 0 -7.109 1.621 -0.438
41 H27 H H17 N N N 0 -6.479 -2.838 -0.249
42 H28 H H18 N N N 0 -4.815 -3.003 -0.859
43 H26 H H19 N N N 0 -5.122 -2.973 0.894
44 H30 H H20 N N N 0 -5.929 3.555 -0.261
45 H29 H H21 N N N 0 -4.569 3.476 0.885
46 H31 H H22 N N N 0 -4.259 3.448 -0.868
47 H33 H H23 N N N 0 -0.107 0.704 1.326
48 H32 H H24 N N N 0 -0.298 -1.066 1.31