Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : BKH

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 C15 C C1 N Y N 0 -3.075 1.189 1.37
2 C14 C C2 N Y N 0 -4.099 2.005 0.922
3 C13 C C3 N Y N 0 5.086 2.243 0.817
4 C12 C C4 N Y N 0 4.921 2.965 -0.356
5 C11 C C5 N Y N 0 4.11 2.474 -1.368
6 C10 C C6 N Y N 0 4.444 1.031 0.98
7 C8 C C7 N Y N 0 3.629 0.534 -0.035
8 C9 C C8 N Y N 0 3.465 1.261 -1.211
9 C6 C C9 N Y N 0 2.111 -1.383 -0.759
10 C5 C C10 N N N 0 0.109 -2.261 1.791
11 N1 N N1 N Y N 0 2.267 -2.615 0.986
12 C2 C C11 R N N 0 -0.777 -3.317 1.128
13 C3 C C12 R N N 0 -0.204 -2.838 -1.66
14 O3 O O1 N N N 0 -0.687 -1.445 2.653
15 C4 C C13 R N N 0 -1.067 -1.915 -0.796
16 CL1 CL CL1 N N N 0 -5.871 2.889 -0.926
17 C19 C C14 N Y N 0 -4.587 1.863 -0.367
18 CL CL CL2 N N N 0 -4.773 3.208 1.976
19 C18 C C15 N Y N 0 -4.051 0.906 -1.208
20 C17 C C16 N Y N 0 -3.024 0.086 -0.759
21 C16 C C17 N Y N 0 -2.537 0.231 0.534
22 S S S1 N N N 0 -2.339 -1.135 -1.829
23 O2 O O2 N N N 0 -1.694 -2.678 0.236
24 C C C18 R N N 0 0.098 -4.297 0.341
25 O O O3 N N N 0 1.054 -4.894 1.22
26 O1 O O4 N N N 0 -1.033 -3.816 -2.29
27 C1 C C19 S N N 0 0.829 -3.538 -0.771
28 N N N2 N Y N 0 1.722 -2.539 -0.177
29 C7 C C20 N Y N 0 2.937 -0.768 0.138
30 N2 N N3 N Y N 0 2.996 -1.579 1.209
31 F2 F F1 N N N 0 5.881 2.724 1.798
32 F1 F F2 N N N 0 5.551 4.15 -0.512
33 F F F3 N N N 0 3.951 3.18 -2.508
34 H15 H H1 N N N 0 -2.694 1.304 2.374
35 H10 H H2 N N N 0 4.573 0.469 1.893
36 H9 H H3 N N N 0 2.833 0.879 -2.0
37 H6 H H4 N N N 0 1.831 -1.021 -1.737
38 H51 H H5 N N N 0 0.887 -2.754 2.374
39 H52 H H6 N N N 0 0.569 -1.638 1.024
40 H2 H H7 N N N 0 -1.332 -3.859 1.893
41 H3 H H8 N N N 0 0.31 -2.25 -2.421
42 HO3 H H9 N N N 0 -0.189 -0.752 3.109
43 H4 H H10 N N N 0 -0.44 -1.144 -0.349
44 H18 H H11 N N N 0 -4.432 0.795 -2.213
45 H16 H H12 N N N 0 -1.738 -0.405 0.885
46 HXT H H13 N N N 0 -0.528 -5.074 -0.097
47 HO H H14 N N N 0 0.66 -5.388 1.952
48 HO1 H H15 N N N 0 -1.713 -3.442 -2.868
49 H1 H H16 N N N 0 1.411 -4.238 -1.37