Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : IQX

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 44


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 N1 N N1 N Y N 0 -0.547 -2.947 -1.681
2 C2 C C2 N Y N 0 -1.57 -2.72 -0.88
3 C3 C C3 N Y N 0 0.62 -2.361 -1.504
4 C4 C C4 N Y N 0 -1.455 -1.843 0.197
5 C5 C C5 N Y N 0 0.818 -1.47 -0.45
6 C6 C C6 N Y N 0 -0.244 -1.203 0.422
7 C7 C C7 N Y N 0 2.131 -0.817 -0.256
8 C8 C C8 N Y N 0 3.332 -1.43 -0.27
9 N9 N N9 N Y N 0 4.353 -0.624 -0.073
10 C10 C C10 N Y N 0 4.088 0.633 0.107
11 S11 S S11 N Y N 0 2.402 0.9 0.027
12 C12 C C12 N N N 0 3.491 -2.912 -0.492
13 N13 N N13 N N N 0 5.039 1.62 0.329
14 C14 C C14 N N N 0 6.347 1.3 0.368
15 C15 C C15 N N N 0 7.379 2.372 0.608
16 O16 O O16 N N N 0 6.694 0.149 0.209
17 N17 N N17 N N N 0 -2.547 -1.61 1.04
18 S18 S S18 N N N 0 -2.781 -0.107 1.694
19 O19 O O19 N N N 0 -3.974 -0.185 2.463
20 O20 O O20 N N N 0 -1.531 0.294 2.238
21 C21 C C21 N Y N 0 -3.12 0.995 0.362
22 C22 C C22 N Y N 0 -4.327 1.28 -0.136
23 S23 S S23 N Y N 0 -1.927 1.922 -0.545
24 C24 C C24 N Y N 0 -3.17 2.595 -1.508
25 N25 N N25 N Y N 0 -4.318 2.138 -1.136
26 C26 C C26 N N N 0 -5.595 0.67 0.403
27 C27 C C27 N N N 0 -2.956 3.582 -2.626
28 F28 F F28 N N N 0 -2.746 -3.346 -1.106
29 H3 H H3 N N N 0 1.433 -2.574 -2.183
30 H6 H H6 N N N 0 -0.124 -0.518 1.248
31 H12 H H12 N N N 0 3.505 -3.12 -1.562
32 H12A H H12A N N N 0 4.426 -3.249 -0.045
33 H12B H H12B N N N 0 2.657 -3.441 -0.031
34 H15 H H15 N N N 0 6.881 3.335 0.726
35 H15A H H15A N N N 0 7.94 2.14 1.513
36 H15B H H15B N N N 0 8.06 2.417 -0.242
37 HN17 H HN17 N N N 0 -3.166 -2.328 1.242
38 H26 H H26 N N N 0 -5.992 1.3 1.199
39 H26A H H26A N N N 0 -6.33 0.591 -0.399
40 H26B H H26B N N N 0 -5.381 -0.323 0.798
41 H27 H H27 N N N 0 -2.807 3.044 -3.563
42 H27A H H27A N N N 0 -3.829 4.228 -2.713
43 H27B H H27B N N N 0 -2.076 4.188 -2.412
44 HN13 H HN13 N N N 0 4.761 2.541 0.455