Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : TUQ

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 52


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 -2.07 -4.955 0.356
2 C11 C C11 N Y N 0 -2.168 -3.231 0.172
3 C10 C C10 N Y N 0 -1.05 -2.515 -0.205
4 C12 C C12 N Y N 0 -3.369 -2.58 0.398
5 C13 C C13 N Y N 0 -3.458 -1.209 0.255
6 C14 C C14 N Y N 0 -2.344 -0.475 -0.118
7 O1 O O1 N N N 0 -2.431 0.872 -0.26
8 C15 C C15 N N N 0 -3.728 1.457 -0.125
9 C19 C C19 N N N 0 -3.773 2.785 -0.885
10 C18 C C18 N N N 0 -5.144 3.435 -0.687
11 N4 N N4 N N N 0 -5.377 3.661 0.745
12 C17 C C17 N N N 0 -5.386 2.395 1.488
13 C16 C C16 N N N 0 -4.022 1.714 1.355
14 C9 C C9 N Y N 0 -1.128 -1.13 -0.354
15 C8 C C8 N Y N 0 0.065 -0.358 -0.756
16 N3 N N3 N Y N 0 0.129 0.942 -0.931
17 N2 N N2 N Y N 0 1.325 1.265 -1.279
18 O O O N Y N 0 1.292 -0.855 -1.008
19 C7 C C7 N Y N 0 2.065 0.194 -1.34
20 C6 C C6 N N N 0 3.525 0.141 -1.712
21 C5 C C5 N Y N 0 4.365 0.289 -0.469
22 C1 C C1 N Y N 0 4.818 -0.753 0.347
23 C C C N N N 0 4.552 -2.221 0.134
24 C3 C C3 N Y N 0 4.818 1.452 0.052
25 C4 C C4 N N N 0 4.573 2.831 -0.506
26 N1 N N1 N Y N 0 5.528 1.158 1.161
27 N N N N Y N 0 5.514 -0.234 1.325
28 C2 C C2 N N N 0 6.199 2.122 2.036
29 H10 H H10 N N N 0 -0.115 -3.026 -0.385
30 H12 H H12 N N N 0 -4.241 -3.148 0.689
31 H13 H H13 N N N 0 -4.398 -0.708 0.433
32 H15 H H15 N N N 0 -4.477 0.778 -0.534
33 H191 H H191 N N N 0 -2.997 3.449 -0.503
34 H192 H H192 N N N 0 -3.606 2.603 -1.947
35 H161 H H161 N N N 0 -4.034 0.767 1.894
36 H162 H H162 N N N 0 -3.25 2.361 1.772
37 H181 H H181 N N N 0 -5.174 4.388 -1.215
38 H182 H H182 N N N 0 -5.918 2.777 -1.081
39 H4 H H4 N N N 0 -4.695 4.299 1.126
40 H171 H H171 N N N 0 -5.592 2.593 2.54
41 H172 H H172 N N N 0 -6.159 1.742 1.084
42 H61C H H61C N N N 0 3.745 -0.815 -2.187
43 H62C H H62C N N N 0 3.753 0.952 -2.403
44 HC1 H HC1 N N N 0 5.341 -2.648 -0.485
45 HC2 H HC2 N N N 0 4.531 -2.73 1.098
46 HC3 H HC3 N N N 0 3.591 -2.348 -0.364
47 H41C H H41C N N N 0 3.661 3.241 -0.073
48 H42C H H42C N N N 0 5.416 3.477 -0.26
49 H43C H H43C N N N 0 4.466 2.77 -1.589
50 H21C H H21C N N N 0 5.512 2.44 2.821
51 H22C H H22C N N N 0 7.075 1.655 2.487
52 H23C H H23C N N N 0 6.51 2.988 1.452