Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : KW6

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 C8 C C1 N Y N 0 -4.589 1.25 0.017
2 C7 C C2 N Y N 0 -3.694 0.163 0.003
3 C12 C C3 N Y N 0 -7.52 -2.705 0.251
4 C11 C C4 N Y N 0 -6.166 -2.581 0.177
5 C10 C C5 N Y N 0 -5.588 -1.302 0.121
6 C9 C C6 N Y N 0 -6.421 -0.154 0.143
7 C14 C C7 N Y N 0 -7.813 -0.325 0.22
8 C15 C C8 N Y N 0 -4.194 -1.135 0.055
9 C17 C C9 R N N 0 3.772 -0.239 -0.315
10 C20 C C10 R N N 0 4.75 -2.316 -0.367
11 C21 C C11 N N N 0 4.464 -3.819 -0.38
12 C6 C C12 N N N 0 -2.282 0.391 -0.066
13 C4 C C13 N Y N 0 0.288 0.805 -0.191
14 C3 C C14 N Y N 0 0.968 2.108 -0.246
15 C2 C C15 N Y N 0 2.344 1.828 -0.298
16 C1 C C16 N Y N 0 2.763 4.09 -0.361
17 N N N1 N N N 0 -0.793 3.768 -0.205
18 C C C17 N Y N 0 0.551 3.444 -0.255
19 O O O1 N N N 0 5.3 0.576 1.41
20 C13 C C18 N Y N 0 -8.34 -1.58 0.272
21 C16 C C19 N Y N 0 1.267 -0.141 -0.213
22 C18 C C20 R N N 0 4.328 -0.428 1.114
23 C19 C C21 S N N 0 4.986 -1.826 1.079
24 C5 C C22 N N N 0 -1.124 0.577 -0.122
25 N1 N N2 N Y N 0 1.479 4.396 -0.313
26 N2 N N3 N Y N 0 3.199 2.849 -0.353
27 N3 N N4 N Y N 0 -5.883 1.069 0.084
28 N4 N N5 N Y N 0 2.489 0.466 -0.276
29 O1 O O2 N N N 0 6.385 -1.727 1.352
30 O2 O O3 N N N 0 3.594 -1.58 -0.822
31 O3 O O4 N N N 0 4.329 -4.266 -1.731
32 H1 H H1 N N N 0 -4.198 2.256 -0.023
33 H2 H H2 N N N 0 -7.963 -3.689 0.293
34 H3 H H3 N N N 0 -5.54 -3.461 0.161
35 H4 H H4 N N N 0 -8.464 0.537 0.238
36 H5 H H5 N N N 0 -3.531 -1.988 0.045
37 H6 H H6 N N N 0 4.486 0.308 -0.931
38 H7 H H7 N N N 0 5.615 -2.089 -0.99
39 H8 H H8 N N N 0 5.288 -4.349 0.097
40 H9 H H9 N N N 0 3.541 -4.017 0.162
41 H10 H H10 N N N 0 3.485 4.892 -0.407
42 H11 H H11 N N N 0 -1.069 4.698 -0.212
43 H12 H H12 N N N 0 -1.46 3.065 -0.163
44 H13 H H13 N N N 0 5.682 0.505 2.295
45 H14 H H14 N N N 0 -9.411 -1.704 0.332
46 H15 H H15 N N N 0 1.102 -1.208 -0.184
47 H16 H H16 N N N 0 3.519 -0.403 1.845
48 H17 H H17 N N N 0 4.505 -2.493 1.794
49 H18 H H18 N N N 0 6.849 -2.576 1.342
50 H19 H H19 N N N 0 4.146 -5.212 -1.816