Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : LQD

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 56


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N Y N 0 2.137 0.334 0.143
2 C2 C C2 S N N 0 0.919 -0.366 0.688
3 C3 C C3 N Y N 0 2.148 1.369 -0.712
4 C11 C C4 N N N 0 -1.373 -0.705 -0.016
5 C12 C C5 N N N 0 -2.434 0.855 1.523
6 C14 C C6 N Y N 0 -4.344 -0.107 0.215
7 C15 C C7 N N N 0 3.832 2.832 -1.872
8 C16 C C8 N Y N 0 4.158 -0.935 1.258
9 C18 C C9 N Y N 0 5.698 0.869 -0.202
10 C19 C C10 N Y N 0 -4.197 2.273 0.455
11 C20 C C11 N N N 0 -0.451 -2.991 -1.686
12 C21 C C12 N N N 0 1.77 -2.682 -0.773
13 C22 C C13 N Y N 0 -5.503 0.042 -0.534
14 C23 C C14 N N N 0 -4.576 -2.456 -0.072
15 C24 C C15 N Y N 0 5.522 -0.977 1.327
16 C25 C C16 N Y N 0 6.293 -0.079 0.601
17 C26 C C17 N Y N 0 -5.352 2.419 -0.292
18 C27 C C18 N Y N 0 -6.004 1.304 -0.786
19 N4 N N1 N Y N 0 3.438 1.738 -0.98
20 C5 C C19 N Y N 0 3.534 0.018 0.451
21 N6 N N2 N N N 0 -1.293 0.633 0.624
22 C7 C C20 R N N 0 0.086 -0.97 -0.466
23 C8 C C21 N Y N 0 4.31 0.93 -0.287
24 C9 C C22 N N N 0 -0.018 0.646 1.373
25 H1 H H1 N N N 0 1.213 -1.146 1.39
26 C10 C C23 N Y N 0 -3.692 1.013 0.709
27 N13 N N3 N N N 0 0.338 -2.411 -0.591
28 O17 O O1 N N N 0 -3.852 -1.348 0.469
29 H2 H H2 N N N 0 1.269 1.84 -1.127
30 H3 H H3 N N N 0 -1.696 -1.457 0.703
31 H4 H H4 N N N 0 -2.043 -0.683 -0.876
32 H5 H H5 N N N 0 -2.539 0.002 2.194
33 H6 H H6 N N N 0 -2.264 1.758 2.109
34 H7 H H7 N N N 0 3.906 3.757 -1.301
35 H8 H H8 N N N 0 4.798 2.604 -2.322
36 H9 H H9 N N N 0 3.084 2.949 -2.656
37 H10 H H10 N N N 0 3.565 -1.637 1.826
38 H11 H H11 N N N 0 6.306 1.563 -0.763
39 H12 H H12 N N N 0 -3.689 3.146 0.839
40 H13 H H13 N N N 0 -0.181 -2.507 -2.624
41 H14 H H14 N N N 0 -0.245 -4.059 -1.756
42 H15 H H15 N N N 0 -1.512 -2.837 -1.49
43 H16 H H16 N N N 0 2.323 -2.303 0.086
44 H17 H H17 N N N 0 1.929 -3.756 -0.862
45 H18 H H18 N N N 0 2.121 -2.186 -1.678
46 H19 H H19 N N N 0 -6.012 -0.829 -0.92
47 H20 H H20 N N N 0 -5.591 -2.456 0.326
48 H21 H H21 N N N 0 -4.612 -2.371 -1.158
49 H22 H H22 N N N 0 -4.077 -3.385 0.204
50 H23 H H23 N N N 0 6.004 -1.714 1.951
51 H24 H H24 N N N 0 7.37 -0.125 0.665
52 H25 H H25 N N N 0 -5.745 3.405 -0.49
53 H26 H H26 N N N 0 -6.905 1.421 -1.369
54 H28 H H28 N N N 0 0.299 -0.457 -1.405
55 H29 H H29 N N N 0 -0.191 0.35 2.408
56 H30 H H30 N N N 0 0.423 1.643 1.338