Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 3TH

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 CL CL CL N N N 0 -6.922 0.679 -0.349
2 C2 C C2 N Y N 0 -5.223 0.381 -0.154
3 C3 C C3 N Y N 0 -4.581 -0.796 -0.142
4 C4 C C4 N Y N 0 -3.133 -0.811 0.033
5 C5 C C5 N Y N 0 -2.059 -1.745 0.108
6 C6 C C6 N Y N 0 -0.904 -1.051 0.298
7 N7 N N7 N Y N 0 -1.204 0.3 0.346
8 C9 C C9 N Y N 0 -2.541 0.446 0.188
9 S10 S S10 N Y N 0 -3.913 1.566 0.087
10 C11 C C11 N N N 0 0.433 -1.634 0.428
11 O12 O O12 N N N 0 0.579 -2.841 0.368
12 N13 N N13 N N N 0 1.503 -0.835 0.613
13 C14 C C14 R N N 0 2.84 -1.419 0.743
14 C15 C C15 N N N 0 3.736 -0.466 1.535
15 C16 C C16 N Y N 0 4.071 0.736 0.69
16 C17 C C17 N Y N 0 4.251 1.969 1.286
17 C18 C C18 N Y N 0 4.572 3.072 0.516
18 C19 C C19 N Y N 0 4.716 2.943 -0.854
19 C20 C C20 N Y N 0 4.532 1.714 -1.456
20 C21 C C21 N Y N 0 4.202 0.606 -0.686
21 N22 N N22 N N N 0 4.013 -0.638 -1.293
22 C23 C C23 N N N 0 3.424 -1.644 -0.627
23 O24 O O24 N N N 0 3.36 -2.745 -1.132
24 H3 H H3 N N N 0 -5.127 -1.719 -0.263
25 H5 H H5 N N N 0 -2.147 -2.819 0.028
26 HN7 H HN7 N N N 0 -0.565 1.019 0.473
27 HN13 H HN13 N N N 0 1.387 0.127 0.66
28 H14 H H14 N N N 0 2.77 -2.371 1.269
29 H151 H 1H15 N N N 0 3.215 -0.142 2.435
30 H152 H 2H15 N N N 0 4.655 -0.981 1.814
31 H17 H H17 N N N 0 4.14 2.073 2.355
32 H18 H H18 N N N 0 4.709 4.035 0.984
33 H19 H H19 N N N 0 4.972 3.804 -1.453
34 H20 H H20 N N N 0 4.646 1.614 -2.525
35 HN22 H HN22 N N N 0 4.31 -0.777 -2.206