Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 4I9

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 31


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C02 C C1 N N N 0 0.574 0.235 -0.183
2 C03 C C2 N Y N 0 1.983 0.512 0.142
3 C04 C C3 N Y N 0 2.984 -0.434 -0.163
4 C05 C C4 N Y N 0 4.325 -0.154 0.154
5 C07 C C5 N Y N 0 4.233 -2.169 -0.805
6 C08 C C6 N Y N 0 2.968 -1.715 -0.767
7 C09 C C7 N Y N 0 4.65 1.05 0.765
8 C10 C C8 N Y N 0 3.663 1.97 1.061
9 C11 C C9 N Y N 0 2.341 1.714 0.751
10 N06 N N1 N Y N 0 5.07 -1.241 -0.253
11 O1 O O2 N N Y 0 -0.378 1.141 0.117
12 O01 O O1 N N N 0 0.269 -0.813 -0.718
13 H3 H H3 N N N 0 4.54 -3.122 -1.21
14 H4 H H4 N N N 0 2.094 -2.235 -1.133
15 C2 C C10 N Y Y 0 -1.643 0.868 -0.299
16 C3 C C11 N Y Y 0 -2.109 1.366 -1.508
17 N1 N N2 N Y Y 0 -3.334 1.105 -1.916
18 C5 C C12 N Y Y 0 -4.162 0.367 -1.202
19 C6 C C13 N Y Y 0 -3.77 -0.165 0.014
20 C7 C C14 N Y Y 0 -2.487 0.081 0.478
21 C8 C C15 N N Y 0 -2.022 -0.48 1.797
22 CL1 CL CL1 N N Y 0 -4.87 -1.133 0.945
23 H1 H H1 N N N 0 5.679 1.268 1.01
24 H2 H H2 N N N 0 3.929 2.902 1.537
25 H5 H H5 N N N 0 1.582 2.446 0.984
26 H6 H H6 N N N 0 6.032 -1.331 -0.162
27 H7 H H7 N N Y 0 -1.46 1.974 -2.121
28 H8 H H8 N N Y 0 -5.159 0.175 -1.571
29 H9 H H9 N N Y 0 -1.575 -1.461 1.637
30 H10 H H10 N N Y 0 -1.281 0.189 2.236
31 H11 H H11 N N Y 0 -2.872 -0.573 2.472