Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : JQD

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 35


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C13 C C1 N N N 0 2.134 1.444 0.481
2 C17 C C2 N N N 0 3.412 -2.105 0.012
3 C01 C C3 N N N 0 -5.276 -1.569 0.4
4 O02 O O1 N N N 0 -4.631 -0.325 0.682
5 C03 C C4 N Y N 0 -3.34 -0.194 0.277
6 C04 C C5 N Y N 0 -2.704 -1.239 -0.378
7 C05 C C6 N Y N 0 -1.393 -1.108 -0.785
8 C06 C C7 N Y N 0 -0.695 0.068 -0.545
9 C07 C C8 R N N 0 0.739 0.154 -0.984
10 C08 C C9 S N N 0 1.326 1.565 -0.837
11 C09 C C10 N N N 0 0.259 2.635 -0.708
12 O10 O O2 N N N 0 -0.668 2.278 0.323
13 C11 C C11 N Y N 0 -1.335 1.112 0.1
14 C12 C C12 N Y N 0 -2.651 0.985 0.516
15 N14 N N1 N N N 0 2.614 0.041 0.388
16 N15 N N2 N N N 0 1.552 -0.688 -0.082
17 C16 C C13 N N N 0 2.101 -1.867 -0.78
18 C18 C C14 N N N 0 3.703 -0.726 0.578
19 O19 O O3 N N N 0 4.736 -0.377 1.109
20 H132 H H1 N N N 0 2.969 2.144 0.495
21 H131 H H2 N N N 0 1.492 1.582 1.35
22 H172 H H3 N N N 0 3.256 -2.828 0.812
23 H171 H H4 N N N 0 4.212 -2.432 -0.652
24 H011 H H5 N N N 0 -5.288 -1.736 -0.678
25 H012 H H6 N N N 0 -4.732 -2.379 0.887
26 H013 H H7 N N N 0 -6.299 -1.541 0.774
27 H041 H H8 N N N 0 -3.238 -2.158 -0.57
28 H051 H H9 N N N 0 -0.905 -1.926 -1.294
29 H071 H H10 N N N 0 0.836 -0.199 -2.011
30 H081 H H11 N N N 0 1.991 1.796 -1.669
31 H091 H H12 N N N 0 0.729 3.586 -0.458
32 H092 H H13 N N N 0 -0.272 2.733 -1.654
33 H121 H H14 N N N 0 -3.139 1.803 1.025
34 H162 H H15 N N N 0 2.31 -1.642 -1.826
35 H161 H H16 N N N 0 1.43 -2.722 -0.692