Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : I3N

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 42


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 3.467 -0.683 4.109
2 O2 O O2 N N N 0 2.04 -0.626 4.157
3 C3 C C3 N Y N 0 1.624 -0.159 2.95
4 C4 C C4 N Y N 0 0.275 -0.002 2.701
5 C5 C C5 N Y N 0 -0.144 0.482 1.46
6 C6 C C6 N Y N 0 0.803 0.798 0.471
7 C7 C C7 N Y N 0 2.157 0.628 0.74
8 C8 C C8 N Y N 0 2.56 0.154 1.968
9 N9 N N9 N Y N 0 0.106 1.242 -0.632
10 C10 C C10 N Y N 0 -1.237 1.217 -0.373
11 C11 C C11 N Y N 0 -1.455 0.769 0.872
12 C12 C C12 N N N 0 -2.794 0.593 1.539
13 C13 C C13 N N N 0 -3.311 -0.796 1.27
14 O14 O O14 N N N 0 -4.497 -1.179 1.77
15 O15 O O15 N N N 0 -2.659 -1.565 0.605
16 C16 C C16 N N N 0 -2.312 1.632 -1.344
17 C17 C C17 N N N 0 0.712 1.675 -1.893
18 C18 C C18 N Y N 0 0.85 0.492 -2.817
19 C19 C C19 N Y N 0 -0.174 0.172 -3.687
20 C20 C C20 N Y N 0 -0.047 -0.913 -4.534
21 C21 C C21 N Y N 0 1.103 -1.677 -4.511
22 C22 C C22 N Y N 0 2.129 -1.356 -3.641
23 C23 C C23 N Y N 0 2.004 -0.268 -2.797
24 H11 H 1H1 N N N 0 3.865 0.313 3.923
25 H12 H 2H1 N N N 0 3.848 -1.055 5.061
26 H13 H 3H1 N N N 0 3.777 -1.354 3.308
27 H4 H H4 N N N 0 -0.449 -0.25 3.461
28 H7 H H7 N N N 0 2.892 0.868 -0.014
29 H8 H H8 N N N 0 3.613 0.024 2.172
30 H121 H 1H12 N N N 0 -2.687 0.739 2.614
31 H122 H 2H12 N N N 0 -3.497 1.325 1.142
32 HXT H HXT N N N 0 -4.828 -2.071 1.597
33 H161 H 1H16 N N N 0 -2.622 0.77 -1.934
34 H162 H 2H16 N N N 0 -3.168 2.023 -0.793
35 H163 H 3H16 N N N 0 -1.924 2.405 -2.008
36 H171 H 1H17 N N N 0 0.079 2.429 -2.361
37 H172 H 2H17 N N N 0 1.697 2.099 -1.696
38 H19 H H19 N N N 0 -1.073 0.769 -3.705
39 H20 H H20 N N N 0 -0.848 -1.163 -5.214
40 H21 H H21 N N N 0 1.202 -2.525 -5.172
41 H22 H H22 N N N 0 3.028 -1.954 -3.622
42 H23 H H23 N N N 0 2.805 -0.018 -2.117