Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : ITB

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 32


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N Y N 0 3.151 -0.218 -1.339
2 C10 C C10 N Y N 0 4.105 0.433 -2.146
3 C14 C C14 N N N 0 3.974 1.755 -2.825
4 O19 O O19 N N N 0 3.01 2.497 -2.789
5 N15 N N15 N N N 0 5.193 2.013 -3.538
6 C20 C C20 N N N 0 5.402 3.238 -4.324
7 C21 C C21 N N N 0 5.992 4.286 -3.43
8 O23 O O23 N N N 0 6.177 5.438 -4.126
9 O22 O O22 N N N 0 6.277 4.156 -2.249
10 S16 S S16 N N N 0 6.383 0.792 -3.408
11 O18 O O18 N N N 0 6.538 0.109 -4.674
12 O17 O O17 N N N 0 7.497 1.263 -2.614
13 C9 C C9 N Y N 0 5.346 -0.168 -2.388
14 C8 C C8 N Y N 0 5.709 -1.393 -1.872
15 C11 C C11 N N N 0 7.001 -2.01 -2.128
16 O13 O O13 N N N 0 8.056 -1.403 -2.337
17 O12 O O12 N N N 0 6.939 -3.37 -2.115
18 C7 C C7 N Y N 0 4.778 -2.048 -1.072
19 C6 C C6 N Y N 0 3.512 -1.485 -0.798
20 C5 C C5 N Y N 0 2.6 -2.179 0.013
21 C4 C C4 N Y N 0 1.344 -1.65 0.3
22 C3 C C3 N Y N 0 0.979 -0.415 -0.221
23 C2 C C2 N Y N 0 1.869 0.293 -1.03
24 H201 H 1H20 N N N 0 4.439 3.583 -4.708
25 H202 H 2H20 N N N 0 6.089 3.022 -5.147
26 HO23 H HO23 N N N 0 6.563 6.145 -3.566
27 HO12 H HO12 N N N 0 7.806 -3.796 -2.286
28 H7 H H7 N N N 0 5.036 -3.02 -0.649
29 H4 H H4 N N N 0 0.652 -2.201 0.929
30 H5 H H5 N N N 0 2.862 -3.149 0.434
31 H3 H H3 N N N 0 0.0 0.0 0.001
32 H2 H H2 N N N 0 1.536 1.253 -1.412