Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : IBP

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 33


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 -0.364 -0.176 -3.442
2 C2 C C2 N N N 0 -0.931 -0.349 2.97
3 C3 C C3 N N N 0 0.01 0.473 3.851
4 C4 C C4 N N N 0 -0.455 0.394 5.307
5 C5 C C5 N N N 0 1.43 -0.083 3.739
6 C6 C C6 S N N 0 0.825 -0.05 -2.526
7 C7 C C7 N N N 0 1.515 1.293 -2.768
8 C8 C C8 N Y N 0 0.366 -0.129 -1.093
9 C9 C C9 N Y N 0 0.844 -1.13 -0.268
10 C10 C C10 N Y N 0 0.424 -1.201 1.046
11 C11 C C11 N Y N 0 -0.473 -0.271 1.536
12 C12 C C12 N Y N 0 -0.955 0.726 0.71
13 C13 C C13 N Y N 0 -0.531 0.8 -0.603
14 O1 O O1 N N N 0 -0.194 -0.134 -4.773
15 O2 O O2 N N N 0 -1.471 -0.316 -2.979
16 H21 H 1H2 N N N 0 -0.921 -1.388 3.299
17 H22 H 2H2 N N N 0 -1.943 0.047 3.05
18 H31 H 1H3 N N N 0 0.0 1.512 3.523
19 H41 H 1H4 N N N 0 0.215 0.98 5.935
20 H42 H 2H4 N N N 0 -1.467 0.791 5.387
21 H43 H 3H4 N N N 0 -0.445 -0.644 5.636
22 H51 H 1H5 N N N 0 1.44 -1.122 4.068
23 H52 H 2H5 N N N 0 1.762 -0.027 2.702
24 H53 H 3H5 N N N 0 2.101 0.503 4.367
25 H61 H 1H6 N N N 0 1.526 -0.86 -2.728
26 H71 H 1H7 N N N 0 0.813 2.103 -2.566
27 H72 H 2H7 N N N 0 2.375 1.384 -2.106
28 H73 H 3H7 N N N 0 1.847 1.35 -3.805
29 H91 H 1H9 N N N 0 1.546 -1.856 -0.651
30 H101 H 1H10 N N N 0 0.797 -1.983 1.69
31 H121 H 1H12 N N N 0 -1.656 1.452 1.093
32 H131 H 1H13 N N N 0 -0.904 1.582 -1.247
33 HO1 H HO1 N N N 0 -0.958 -0.215 -5.361