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