Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : C5I

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 38


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 1.727 -1.962 -0.952
2 C2 C C2 N Y N 0 2.564 -3.004 -1.093
3 N3 N N3 N Y N 0 3.783 -2.694 -0.555
4 C5 C C5 N Y N 0 3.761 -1.418 -0.043
5 C6 C C6 N Y N 0 2.474 -0.907 -0.269
6 C7 C C7 N Y N 0 2.171 0.395 0.158
7 C8 C C8 N Y N 0 3.177 1.138 0.801
8 C9 C C9 N Y N 0 4.436 0.546 0.985
9 N10 N N10 N Y N 0 4.68 -0.674 0.571
10 N11 N N11 N Y N 0 2.657 2.34 1.115
11 N12 N N12 N Y N 0 1.431 2.41 0.729
12 N13 N N13 N Y N 0 1.069 1.201 0.114
13 C14 C C14 R N N 0 -0.237 0.869 -0.462
14 C16 C C16 N N N 0 -0.565 1.856 -1.585
15 C17 C C17 N N N 0 -1.914 1.49 -2.21
16 C18 C C18 N N N 0 -3.009 1.589 -1.143
17 N19 N N19 N N N 0 -2.629 0.753 0.0040
18 C20 C C20 N N N 0 -1.313 0.961 0.624
19 C21 C C21 N N N 0 -3.471 -0.186 0.479
20 O22 O O22 N N N 0 -3.146 -0.869 1.426
21 C23 C C23 N N N 0 -4.818 -0.387 -0.168
22 C24 C C24 N N N 0 -5.542 -1.462 0.53
23 N25 N N25 N N N 0 -6.1 -2.292 1.068
24 H1 H H1 N N N 0 0.701 -1.913 -1.283
25 H2 H H2 N N N 0 2.313 -3.944 -1.561
26 HN3 H HN3 N N N 0 4.55 -3.287 -0.537
27 H9 H H9 N N N 0 5.218 1.105 1.477
28 H14 H H14 N N N 0 -0.21 -0.144 -0.864
29 H16 H H16 N N N 0 -0.616 2.866 -1.178
30 H16A H H16A N N N 0 0.212 1.811 -2.347
31 H17 H H17 N N N 0 -2.136 2.179 -3.024
32 H17A H H17A N N N 0 -1.872 0.472 -2.595
33 H18 H H18 N N N 0 -3.114 2.625 -0.822
34 H18A H H18A N N N 0 -3.954 1.234 -1.556
35 H20 H H20 N N N 0 -1.139 0.192 1.377
36 H20A H H20A N N N 0 -1.28 1.946 1.089
37 H23 H H23 N N N 0 -5.392 0.538 -0.106
38 H23A H H23A N N N 0 -4.681 -0.66 -1.214