Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : A1AAU

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 49


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C4 C C1 N N N 0 -3.805 1.854 0.576
2 C5 C C2 R N N 0 -3.216 0.934 -0.497
3 C7 C C3 N N N 0 -1.026 2.189 -0.337
4 C8 C C4 N N N 0 -1.093 -0.256 -0.232
5 C10 C C5 N N N 0 0.371 -0.259 0.063
6 N12 N N1 N N N 0 1.062 -1.416 0.034
7 C13 C C6 N Y N 0 2.452 -1.404 0.183
8 C17 C C7 N Y N 0 4.588 -0.362 -0.106
9 C22 C C8 N Y N 0 -3.761 -0.46 -0.323
10 C24 C C9 N Y N 0 -4.966 -2.338 -1.19
11 C26 C C10 N Y N 0 -4.053 -2.419 1.022
12 C1 C C11 N N N 0 -0.985 4.476 0.673
13 C2 C C12 S N N 0 -1.64 3.095 0.735
14 C3 C C13 N N N 0 -3.144 3.231 0.483
15 N6 N N2 N N N 0 -1.754 0.913 -0.351
16 O9 O O1 N N N 0 -1.687 -1.306 -0.364
17 O11 O O2 N N N 0 0.939 0.78 0.329
18 C14 C C14 N Y N 0 3.104 -2.47 0.793
19 N15 N N3 N Y N 0 4.415 -2.469 0.939
20 C16 C C15 N Y N 0 5.163 -1.47 0.518
21 C18 C C16 N Y N 0 3.201 -0.328 -0.283
22 C19 C C17 N N N 0 5.432 0.757 -0.576
23 N20 N N4 N N N 0 6.768 0.711 -0.404
24 O21 O O3 N N N 0 4.922 1.717 -1.118
25 C23 C C18 N Y N 0 -4.466 -1.06 -1.35
26 C25 C C19 N Y N 0 -4.763 -3.017 -0.003
27 C27 C C20 N Y N 0 -3.553 -1.141 0.862
28 H1 H H1 N N N 0 -4.879 1.955 0.42
29 H2 H H2 N N N 0 -3.62 1.428 1.562
30 H3 H H3 N N N 0 -3.481 1.309 -1.486
31 H4 H H4 N N N 0 -1.111 2.668 -1.313
32 H5 H H5 N N N 0 0.023 2.009 -0.106
33 H6 H H6 N N N 0 0.595 -2.257 -0.09
34 H7 H H7 N N N 0 -5.517 -2.807 -1.992
35 H8 H H8 N N N 0 -3.894 -2.95 1.949
36 H9 H H9 N N N 0 -1.153 4.914 -0.311
37 H10 H H10 N N N 0 -1.422 5.121 1.436
38 H11 H H11 N N N 0 0.086 4.379 0.85
39 H12 H H12 N N N 0 -1.474 2.658 1.72
40 H13 H H13 N N N 0 -3.309 3.646 -0.512
41 H14 H H14 N N N 0 -3.579 3.895 1.23
42 H15 H H15 N N N 0 2.529 -3.31 1.153
43 H16 H H16 N N N 0 6.233 -1.508 0.66
44 H17 H H17 N N N 0 2.724 0.512 -0.765
45 H18 H H18 N N N 0 7.176 -0.056 0.028
46 H19 H H19 N N N 0 7.323 1.445 -0.712
47 H20 H H20 N N N 0 -4.625 -0.529 -2.277
48 H21 H H21 N N N 0 -5.158 -4.014 0.123
49 H22 H H22 N N N 0 -2.998 -0.674 1.663