Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : INI

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 35


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 1.581 0.187 -1.842
2 C2 C C2 N Y N 0 2.14 0.233 -3.06
3 O2 O O2 N N N 0 3.345 0.369 -3.145
4 N3 N N3 N Y N 0 1.422 0.14 -4.191
5 C4 C C4 N Y N 0 0.082 -0.011 -4.152
6 O4 O O4 N N N 0 -0.564 -0.094 -5.178
7 C5 C C5 N Y N 0 -0.579 -0.073 -2.834
8 N5 N N5 N N N 1 -1.894 -0.222 -2.733
9 O51 O O51 N N N -1 -2.672 -0.445 -3.894
10 O52 O O52 N N N 0 -2.43 -0.166 -1.641
11 C6 C C6 N Y N 0 0.238 0.03 -1.681
12 N7 N N7 N N N 0 -0.305 -0.019 -0.445
13 C8 C C8 N N N 0 0.56 -0.03 0.735
14 C9 C C9 S N N 0 -0.3 -0.089 1.999
15 O9 O O9 N N N 0 -1.156 1.054 2.046
16 C10 C C10 S N N 0 0.603 -0.101 3.232
17 O10 O O10 N N N 0 1.459 -1.244 3.185
18 C11 C C11 R N N 0 -0.257 -0.16 4.496
19 O11 O O11 N N N 0 -1.113 0.983 4.543
20 C12 C C12 N N N 0 0.646 -0.171 5.73
21 O12 O O12 N N N 0 -0.157 -0.226 6.909
22 HN1 H HN1 N N N 0 2.148 0.258 -1.057
23 HN3 H HN3 N N N 0 1.873 0.183 -5.049
24 HN7 H HN7 N N N 0 -1.269 -0.048 -0.34
25 H81 H 1H8 N N N 0 1.165 0.875 0.751
26 H82 H 2H8 N N N 0 1.212 -0.902 0.699
27 H9 H H9 N N N 0 -0.906 -0.995 1.983
28 HO9 H HO9 N N N 0 -0.582 1.832 2.058
29 H10 H H10 N N N 0 1.209 0.805 3.248
30 HO1 H HO1 N N N 0 0.885 -2.022 3.173
31 H11 H H11 N N N 0 -0.863 -1.066 4.48
32 HO2 H HO2 N N N 0 -0.539 1.761 4.555
33 H121 H 1H12 N N N 0 1.252 0.734 5.745
34 H122 H 2H12 N N N 0 1.299 -1.044 5.694
35 HO3 H HO3 N N N 0 0.449 -0.232 7.662