Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : QXS

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 33


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C16 C C1 N Y N 0 -2.105 2.193 0.214
2 C14 C C2 N Y N 0 -3.069 0.121 -0.053
3 C12 C C3 N Y N 0 -3.307 -2.099 -0.274
4 C11 C C4 N Y N 0 -1.985 -1.898 -0.148
5 C10 C C5 N Y N 0 -1.788 -0.458 0.0
6 C02 C C6 S N N 0 2.918 -0.015 0.986
7 C03 C C7 N N N 0 3.305 -1.179 0.071
8 C04 C C8 N N N 0 3.727 -0.636 -1.295
9 C05 C C9 N N N 0 2.563 0.137 -1.919
10 C06 C C10 N N N 0 2.177 1.301 -1.004
11 C07 C C11 R N N 0 1.754 0.758 0.362
12 C09 C C12 N Y N 0 -0.675 0.383 0.157
13 N08 N N1 N N N 0 0.606 -0.137 0.198
14 N13 N N2 N Y N 0 -3.966 -0.898 -0.219
15 N15 N N3 N Y N 0 -3.175 1.444 0.058
16 N17 N N4 N Y N 0 -0.884 1.692 0.264
17 O01 O O1 N N N 0 2.524 -0.523 2.262
18 H161 H H1 N N N 0 -2.229 3.263 0.301
19 H121 H H2 N N N 0 -3.779 -3.062 -0.401
20 H111 H H3 N N N 0 -1.215 -2.656 -0.155
21 H021 H H4 N N N 0 3.773 0.65 1.108
22 H041 H H8 N N N 0 4.003 -1.465 -1.947
23 H031 H H5 N N N 0 4.134 -1.73 0.515
24 H032 H H6 N N N 0 2.451 -1.845 -0.051
25 H042 H H7 N N N 0 4.582 0.03 -1.173
26 H052 H H9 N N N 0 2.864 0.525 -2.892
27 H051 H H10 N N N 0 1.709 -0.528 -2.041
28 H062 H H11 N N N 0 3.031 1.967 -0.882
29 H061 H H12 N N N 0 1.347 1.852 -1.448
30 H071 H H13 N N N 0 1.479 1.587 1.014
31 H081 H H14 N N N 0 0.744 -1.094 0.119
32 H131 H H15 N N N 0 -4.927 -0.788 -0.288
33 H011 H H16 N N N 0 3.214 -1.026 2.716