Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : XHW

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 43


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 N1 N N1 N Y N 0 -4.854 1.468 -1.499
2 N3 N N2 N N N 0 1.635 -0.157 -0.47
3 C4 C C1 N Y N 0 -5.572 0.451 -1.066
4 C5 C C2 N Y N 0 -5.124 -0.35 -0.029
5 C6 C C3 N Y N 0 -3.901 -0.075 0.559
6 C7 C C4 N N N 0 0.368 0.755 1.388
7 C8 C C5 N N N 0 1.327 1.045 0.209
8 C10 C C6 N Y N 0 4.005 0.351 -0.642
9 C13 C C7 N Y N 0 6.309 0.923 0.777
10 C15 C C8 N Y N 0 4.729 -0.673 -0.054
11 C17 C C9 N N N 0 -0.148 -1.76 -0.114
12 O1 O O1 N N N 0 -1.595 2.502 0.961
13 C1 C C10 N N N 0 -1.85 1.351 0.666
14 C2 C C11 N Y N 0 -3.162 1.012 0.076
15 C3 C C12 N Y N 0 -3.685 1.77 -0.973
16 CL1 CL CL1 N N N 0 -6.085 -1.685 0.528
17 N2 N N3 N N N 0 -0.936 0.383 0.878
18 C9 C C13 N N N 0 2.747 0.04 -1.41
19 C11 C C14 N Y N 0 4.435 1.658 -0.519
20 C12 C C15 N Y N 0 5.586 1.945 0.191
21 C14 C C16 N Y N 0 5.884 -0.386 0.651
22 CL2 CL CL2 N N N 0 4.186 -2.315 -0.202
23 C16 C C17 N N N 0 0.517 -0.843 -1.117
24 C18 C C18 N N N 0 -1.302 -1.016 0.581
25 H2 H H2 N N N 0 -6.526 0.239 -1.526
26 H3 H H3 N N N 0 -3.526 -0.683 1.369
27 H5 H H4 N N N 0 0.769 -0.061 1.989
28 H4 H H5 N N N 0 0.274 1.648 2.007
29 H7 H H6 N N N 0 2.245 1.491 0.59
30 H6 H H7 N N N 0 0.85 1.739 -0.483
31 H12 H H8 N N N 0 7.209 1.147 1.331
32 H17 H H9 N N N 0 -0.54 -2.637 -0.628
33 H16 H H10 N N N 0 0.583 -2.073 0.632
34 H1 H H11 N N N 0 -3.126 2.611 -1.356
35 H8 H H12 N N N 0 2.893 -0.869 -1.995
36 H9 H H13 N N N 0 2.515 0.869 -2.079
37 H10 H H14 N N N 0 3.87 2.457 -0.977
38 H11 H H15 N N N 0 5.919 2.967 0.29
39 H13 H H16 N N N 0 6.449 -1.184 1.109
40 H15 H H17 N N N 0 -0.205 -0.108 -1.473
41 H14 H H18 N N N 0 0.886 -1.429 -1.958
42 H19 H H19 N N N 0 -2.176 -1.026 -0.07
43 H18 H H20 N N N 0 -1.546 -1.527 1.512