Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : A1K

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 50


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N N N 0 -5.534 2.337 1.717
2 N1 N N1 N N N 0 -5.426 1.047 1.03
3 O1 O O1 N N N 0 1.163 3.562 -0.277
4 C2 C C2 N Y N 0 -4.201 0.617 0.554
5 N2 N N2 N Y N 0 -2.966 -2.233 -1.17
6 O2 O O2 N N N 0 4.869 0.387 -1.981
7 C3 C C3 N Y N 0 -4.079 -0.615 -0.106
8 N3 N N3 N Y N 0 -1.775 -0.201 -0.37
9 O3 O O3 N N N 0 6.41 -2.153 1.74
10 C4 C C4 N Y N 0 -5.004 -1.69 -0.468
11 N4 N N4 N N N 0 -0.828 1.77 0.437
12 C5 C C5 N Y N 0 -4.28 -2.628 -1.102
13 N5 N N5 N N N 0 4.909 -1.03 -0.271
14 C6 C C6 N Y N 0 -2.813 -1.012 -0.573
15 N6 N N6 N Y N 0 -3.112 1.363 0.707
16 C7 C C7 N Y N 0 -1.934 0.954 0.252
17 C8 C C8 N Y N 0 0.44 1.315 0.08
18 C9 C C9 N Y N 0 0.713 -0.048 0.074
19 C10 C C10 N Y N 0 1.965 -0.501 -0.278
20 C11 C C11 N Y N 0 2.965 0.409 -0.63
21 C12 C C12 N Y N 0 2.691 1.78 -0.626
22 C13 C C13 N Y N 0 1.433 2.229 -0.277
23 C14 C C14 N N N 0 2.226 4.44 -0.653
24 C15 C C15 N N N 0 4.306 -0.075 -1.007
25 C16 C C16 N N N 0 6.282 -1.466 -0.572
26 C17 C C17 N N N 0 7.099 -1.421 0.724
27 C18 C C18 N N N 0 5.131 -1.613 2.085
28 C19 C C19 N N N 0 4.213 -1.668 0.858
29 CL1 CL CL1 N N N 0 -6.708 -1.743 -0.142
30 H1 H H1 N N N 0 -5.217 3.134 1.045
31 H2 H H2 N N N 0 -6.568 2.503 2.017
32 H8 H H8 N N N 0 -0.058 -0.753 0.347
33 H3 H H3 N N N 0 -4.895 2.332 2.601
34 H4 H H4 N N N 0 -6.214 0.495 0.909
35 H5 H H5 N N N 0 -2.252 -2.744 -1.582
36 H6 H H6 N N N 0 -0.938 2.657 0.814
37 H7 H H7 N N N 0 -4.672 -3.553 -1.497
38 H9 H H9 N N N 0 2.174 -1.561 -0.281
39 H10 H H10 N N N 0 3.462 2.487 -0.898
40 H11 H H11 N N N 0 2.547 4.207 -1.668
41 H12 H H12 N N N 0 1.877 5.472 -0.61
42 H13 H H13 N N N 0 3.063 4.311 0.032
43 H14 H H14 N N N 0 6.266 -2.484 -0.962
44 H15 H H15 N N N 0 6.725 -0.797 -1.31
45 H16 H H16 N N N 0 7.222 -0.386 1.041
46 H17 H H17 N N N 0 8.078 -1.87 0.553
47 H18 H H18 N N N 0 4.695 -2.2 2.893
48 H19 H H19 N N N 0 5.248 -0.578 2.407
49 H20 H H20 N N N 0 3.287 -1.133 1.069
50 H21 H H21 N N N 0 3.99 -2.706 0.613