Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : AHK

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 53


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C C C10 N N N 0 5.538 -1.75 2.18
2 C1 C C9 N N N 0 5.685 -0.276 1.797
3 C10 C C13 N Y N 0 1.618 -1.561 -0.323
4 C11 C C12 N Y N 0 0.999 -0.556 0.398
5 C12 C C15 N N N 0 -0.456 -0.686 0.77
6 C13 C C16 N N N 0 -2.705 -0.229 0.071
7 C14 C C17 N N N 0 -3.57 0.38 -1.034
8 C15 C C18 N Y N 0 -5.025 0.25 -0.663
9 C16 C C20 N Y N 0 -6.926 -0.627 -0.077
10 C17 C C24 N Y N 0 -7.996 -1.442 0.3
11 C18 C C23 N Y N 0 -9.227 -0.892 0.519
12 C19 C C22 N Y N 0 -9.428 0.473 0.372
13 C2 C C8 N Y N 0 6.081 -0.171 0.347
14 C20 C C21 N Y N 0 -8.387 1.297 0.002
15 C21 C C19 N Y N 0 -7.129 0.755 -0.226
16 C22 C C11 N Y N 0 1.709 0.568 0.778
17 C23 C C1 N Y N 0 3.043 0.692 0.441
18 C3 C C7 N Y N 0 7.413 -0.058 0.001
19 C4 C C6 N Y N 0 7.778 0.044 -1.329
20 C5 C C5 N Y N 0 6.812 0.028 -2.32
21 C6 C C4 N Y N 0 5.479 -0.09 -1.986
22 C7 C C3 N Y N 0 5.105 -0.193 -0.647
23 C8 C C2 N Y N 0 3.673 -0.32 -0.281
24 C9 C C14 N Y N 0 2.953 -1.452 -0.658
25 CL CL CL1 N N N 0 3.934 2.103 0.92
26 H1 H H1 N N N 0 4.726 -0.103 -2.76
27 H10 H H10 N N N 0 1.22 1.35 1.341
28 H11 H H11 N N N 0 1.06 -2.438 -0.614
29 H12 H H12 N N N 0 3.435 -2.238 -1.22
30 H13 H H13 N N N 0 -0.707 -1.74 0.889
31 H14 H H14 N N N 0 -0.64 -0.16 1.706
32 H15 H H15 N N N 0 -1.054 0.874 -0.402
33 H16 H H16 N N N 0 -1.117 -0.589 -1.159
34 H17 H H17 N N N 0 -2.956 -1.283 0.19
35 H18 H H18 N N N 0 -2.889 0.297 1.008
36 H19 H H19 N N N 0 -3.319 1.434 -1.154
37 H2 H H2 N N N 0 7.103 0.108 -3.357
38 H20 H H20 N N N 0 -3.386 -0.146 -1.971
39 H21 H H21 N N N 0 -5.715 2.216 -0.777
40 H23 H H23 N N N 0 -8.549 2.359 -0.111
41 H24 H H24 N N N 0 -10.407 0.893 0.549
42 H25 H H25 N N N 0 -10.052 -1.526 0.809
43 H26 H H26 N N N 0 -7.851 -2.506 0.417
44 H3 H H3 N N N 0 8.821 0.137 -1.595
45 H4 H H4 N N N 0 8.171 -0.045 0.77
46 H5 H H5 N N N 0 6.452 0.186 2.418
47 H6 H H6 N N N 0 4.735 0.235 1.952
48 H7 H H7 N N N 0 5.251 -1.827 3.229
49 H8 H H8 N N N 0 4.771 -2.213 1.559
50 H9 H H9 N N N 0 6.488 -2.262 2.025
51 N N N1 N N N 1 -1.287 -0.102 -0.292
52 N1 N N3 N Y N 0 -5.62 -0.868 -0.363
53 N2 N N2 N Y N 0 -5.908 1.282 -0.597