Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : IQF

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 49


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C02 C C1 N Y N 0 5.821 1.523 0.239
2 C04 C C2 N Y N 0 5.033 -0.642 0.089
3 C05 C C3 N N N 0 5.312 -2.122 0.131
4 C06 C C4 N N N 0 6.797 -2.353 0.42
5 C07 C C5 N N N 0 4.353 3.523 -0.021
6 C11 C C6 N Y N 0 1.647 0.094 -0.547
7 C13 C C7 N N N 0 0.184 -0.144 -0.82
8 C15 C C8 N Y N 0 -2.037 -0.471 0.232
9 C18 C C9 N Y N 0 -4.137 -0.115 -0.147
10 C21 C C10 N N N 0 -1.988 -2.982 0.219
11 C22 C C11 N N N 0 -6.459 -0.385 -0.571
12 C23 C C12 N N N 0 -7.729 0.433 -0.252
13 C24 C C13 N N N 0 -7.252 1.565 0.682
14 C25 C C14 N N N 0 -5.735 1.335 0.848
15 N01 N N1 N Y N 0 6.012 0.202 0.271
16 C03 C C15 N Y N 0 4.58 2.034 0.012
17 N08 N N2 N Y N 0 3.773 -0.208 -0.153
18 C09 C C16 N Y N 0 3.513 1.137 -0.193
19 N10 N N3 N Y N 0 2.219 1.286 -0.432
20 N12 N N4 N Y N 0 2.549 -0.846 -0.385
21 C14 C C17 N N N 0 -0.574 -0.234 0.506
22 N16 N N5 N Y N 0 -2.632 -1.67 0.113
23 N17 N N6 N Y N 0 -3.991 -1.418 -0.132
24 N19 N N7 N Y N 0 -2.949 0.454 0.074
25 N20 N N8 N N N 0 -5.338 0.566 -0.359
26 H26 H H1 N N N 0 6.655 2.19 0.399
27 H27 H H2 N N N 0 4.713 -2.583 0.917
28 H28 H H3 N N N 0 5.055 -2.568 -0.83
29 H29 H H4 N N N 0 7.054 -1.908 1.381
30 H30 H H5 N N N 0 6.998 -3.424 0.45
31 H31 H H6 N N N 0 7.395 -1.893 -0.366
32 H33 H H7 N N N 0 5.297 4.038 0.158
33 H34 H H8 N N N 0 3.962 3.81 -0.997
34 H32 H H9 N N N 0 3.637 3.799 0.753
35 H35 H H10 N N N 0 -0.213 0.681 -1.411
36 H36 H H11 N N N 0 0.065 -1.077 -1.371
37 H39 H H12 N N N 0 -2.013 -3.316 1.256
38 H40 H H13 N N N 0 -2.52 -3.699 -0.406
39 H41 H H14 N N N 0 -0.953 -2.907 -0.114
40 H42 H H15 N N N 0 -6.372 -1.233 0.108
41 H43 H H16 N N N 0 -6.478 -0.729 -1.605
42 H44 H H17 N N N 0 -8.151 0.85 -1.167
43 H45 H H18 N N N 0 -8.464 -0.192 0.255
44 H46 H H19 N N N 0 -7.44 2.537 0.226
45 H47 H H20 N N N 0 -7.754 1.495 1.647
46 H49 H H21 N N N 0 -5.207 2.289 0.882
47 H48 H H22 N N N 0 -5.534 0.758 1.751
48 H38 H H23 N N N 0 -0.176 -1.059 1.097
49 H37 H H24 N N N 0 -0.455 0.699 1.057