Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 29E

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 40


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C C C N N N 0 2.4 5.059 -0.458
2 C1 C C1 N N N 0 1.913 2.687 -0.454
3 C10 C C10 N Y N 0 -4.754 0.618 1.116
4 C11 C C11 N Y N 0 -3.64 1.152 1.761
5 C12 C C12 N Y N 0 -2.383 0.933 1.286
6 C13 C C13 N Y N 0 -2.203 0.159 0.13
7 C14 C C14 N Y N 0 1.993 -1.12 -0.074
8 C15 C C15 N Y N 0 2.699 -1.902 -0.892
9 C16 C C16 N Y N 0 3.107 -3.105 -0.341
10 C17 C C17 N Y N 0 2.725 -3.303 0.922
11 C2 C C2 N N N 0 2.415 1.322 0.019
12 C3 C C3 S N N 0 1.438 0.235 -0.432
13 C4 C C4 N Y N 0 -0.916 -0.089 -0.393
14 C5 C C5 N Y N 0 -0.783 -0.843 -1.524
15 C6 C C6 N Y N 0 -1.898 -1.379 -2.163
16 C7 C C7 N Y N 0 -3.154 -1.16 -1.686
17 C8 C C8 N Y N 0 -3.335 -0.384 -0.527
18 C9 C C9 N Y N 0 -4.616 -0.138 -0.0080
19 H1 H H1 N N N 0 2.332 5.08 -1.546
20 H10 H H10 N N N 0 1.298 0.296 -1.512
21 H11 H H11 N N N 0 2.949 -4.181 1.509
22 H12 H H12 N N N 0 3.688 -3.829 -0.893
23 H13 H H13 N N N 0 2.936 -1.618 -1.907
24 H14 H H14 N N N 0 -1.529 1.353 1.797
25 H15 H H15 N N N 0 -3.776 1.748 2.651
26 H16 H H16 N N N 0 -5.74 0.806 1.514
27 H17 H H17 N N N 0 -5.488 -0.546 -0.497
28 H18 H H18 N N N 0 -4.008 -1.583 -2.194
29 H19 H H19 N N N 0 -1.764 -1.975 -3.054
30 H2 H H2 N N N 0 1.421 5.27 -0.029
31 H20 H H20 N N N 0 0.203 -1.033 -1.924
32 H3 H H3 N N N 0 3.113 5.813 -0.124
33 H4 H H4 N N N 0 2.984 3.706 0.979
34 H6 H H6 N N N 0 0.93 2.882 -0.025
35 H7 H H7 N N N 0 1.842 2.691 -1.542
36 H8 H H8 N N N 0 3.398 1.128 -0.41
37 H9 H H9 N N N 0 2.487 1.317 1.107
38 N N N N N N 0 2.851 3.731 -0.021
39 O O O N N N 0 0.181 0.422 0.222
40 S S S N Y N 0 1.802 -1.915 1.483