Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : KRF

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 58


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 N1 N N1 N N N 0 -5.856 -0.988 -0.481
2 N3 N N2 N N N 0 0.738 1.424 -0.241
3 C4 C C1 N N N 0 -4.352 0.93 -0.485
4 C5 C C2 N N N 0 -3.603 -1.181 0.428
5 C6 C C3 N N N 0 -4.761 -1.938 -0.231
6 C7 C C4 R N N 0 -2.023 0.62 0.103
7 C8 C C5 N N N 0 -2.292 1.208 1.49
8 C10 C C6 N N N 0 -0.608 3.002 1.056
9 C13 C C7 N N N 0 2.025 1.821 -0.301
10 C15 C C8 N Y N 0 4.435 1.105 -0.259
11 C17 C C9 N Y N 0 6.497 -0.453 -0.126
12 C20 C C10 N Y N 0 4.575 -2.459 0.127
13 C21 C C11 N Y N 0 4.167 -1.135 -0.01
14 C22 C C12 N N N 0 3.549 -3.554 0.263
15 C1 C C13 N N N 0 -7.411 -2.549 0.644
16 C2 C C14 N N N 0 -7.112 -1.258 -0.074
17 O1 O O1 N N N 0 -8.002 -0.461 -0.285
18 C3 C C15 N N N 0 -5.543 0.266 -1.184
19 N2 N N3 N N N 0 -3.242 -0.027 -0.399
20 C9 C C16 N N N 0 -1.022 1.883 2.013
21 C11 C C17 R N N 0 -0.339 2.414 -0.331
22 C12 C C18 N N N 0 -1.608 1.739 -0.854
23 O2 O O2 N N N 0 2.292 3.001 -0.431
24 C14 C C19 N Y N 0 3.105 0.829 -0.211
25 C16 C C20 N Y N 0 5.134 -0.12 -0.138
26 C18 C C21 N Y N 0 6.875 -1.77 0.011
27 C19 C C22 N Y N 0 5.917 -2.768 0.136
28 N4 N N4 N Y N 0 2.931 -0.534 -0.064
29 F F F1 N N N 0 7.434 0.513 -0.248
30 H1 H H1 N N N 0 0.525 0.484 -0.138
31 H2 H H2 N N N 0 -4.036 1.803 -1.056
32 H3 H H3 N N N 0 -4.645 1.239 0.519
33 H4 H H4 N N N 0 -3.904 -0.839 1.418
34 H5 H H5 N N N 0 -2.744 -1.847 0.519
35 H6 H H6 N N N 0 -5.108 -2.728 0.434
36 H7 H H7 N N N 0 -4.427 -2.369 -1.174
37 H8 H H8 N N N 0 -1.222 -0.116 0.17
38 H9 H H9 N N N 0 -3.093 1.944 1.423
39 H10 H H10 N N N 0 -2.587 0.411 2.171
40 H11 H H11 N N N 0 -1.409 3.738 0.989
41 H12 H H12 N N N 0 0.297 3.483 1.429
42 H13 H H13 N N N 0 4.879 2.083 -0.373
43 H14 H H14 N N N 0 3.32 -3.708 1.318
44 H15 H H15 N N N 0 2.641 -3.269 -0.268
45 H16 H H16 N N N 0 3.944 -4.477 -0.162
46 H17 H H17 N N N 0 -7.288 -2.405 1.717
47 H18 H H18 N N N 0 -8.436 -2.853 0.433
48 H19 H H19 N N N 0 -6.724 -3.323 0.3
49 H20 H H20 N N N 0 -5.286 0.05 -2.221
50 H21 H H21 N N N 0 -6.406 0.931 -1.148
51 H23 H H23 N N N 0 -1.214 2.302 3.001
52 H24 H H24 N N N 0 -0.221 1.147 2.08
53 H25 H H25 N N N 0 -0.043 3.211 -1.013
54 H26 H H26 N N N 0 -1.416 1.32 -1.842
55 H30 H H30 N N N 0 2.078 -0.992 -0.003
56 H27 H H27 N N N 0 -2.409 2.475 -0.921
57 H28 H H28 N N N 0 7.923 -2.029 0.02
58 H29 H H29 N N N 0 6.227 -3.797 0.242