Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 9HS

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 57


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C7 C C1 N Y N 0 -5.15 1.962 -0.532
2 C9 C C2 N N N 0 -2.414 -0.062 -1.692
3 N1 N N1 N N N 0 -3.219 0.945 -1.536
4 C2 C C3 N N N 0 -3.599 -1.439 -0.192
5 N2 N N2 N N N 0 2.248 -1.805 0.441
6 C10 C C4 N N N 0 0.605 -3.274 -0.606
7 C4 C C5 N Y N 0 -5.603 -0.401 0.892
8 C6 C C6 N Y N 0 -6.221 1.853 0.329
9 N N N3 N N N 0 -2.565 -1.246 -1.044
10 C C C7 N N N 0 -0.455 -2.22 -0.28
11 O O O1 N N N 0 -0.951 -2.435 1.043
12 C1 C C8 N N N 0 -1.608 -2.33 -1.28
13 C11 C C9 N N N 0 1.741 -3.184 0.418
14 C12 C C10 N N N 0 3.56 -1.553 0.262
15 C13 C C11 N N N 0 4.065 -0.133 0.288
16 C14 C C12 S N N 0 5.578 -0.126 0.062
17 C15 C C13 N N N 0 6.272 -0.824 1.233
18 C16 C C14 N Y N 0 6.065 1.297 -0.035
19 C17 C C15 N Y N 0 6.694 1.735 -1.185
20 C18 C C16 N Y N 0 7.141 3.041 -1.273
21 C19 C C17 N Y N 0 6.958 3.907 -0.212
22 C20 C C18 N Y N 0 6.328 3.469 0.938
23 C21 C C19 N Y N 0 5.877 2.165 1.024
24 C22 C C20 N N N 0 1.297 -0.706 0.656
25 C23 C C21 N N N 0 0.166 -0.824 -0.371
26 C3 C C22 N Y N 0 -4.522 -0.314 0.018
27 C5 C C23 N Y N 0 -6.447 0.678 1.037
28 C8 C C24 N Y N 0 -4.285 0.88 -0.7
29 O2 O O3 N N N 0 4.334 -2.469 0.08
30 O1 O O2 N N N 0 -3.747 -2.495 0.394
31 CL CL CL1 N N N 0 -7.3 3.198 0.532
32 H8 H H4 N N N 0 1.0 -3.096 -1.605
33 H5 H H1 N N N 0 -4.984 2.88 -1.077
34 H6 H H2 N N N 0 -1.582 0.048 -2.372
35 H7 H H3 N N N 0 0.156 -4.267 -0.564
36 H3 H H5 N N N 0 -5.787 -1.312 1.441
37 H H H6 N N N 0 -1.628 -1.802 1.317
38 H2 H H7 N N N 0 -2.108 -3.29 -1.154
39 H1 H H8 N N N 0 -1.217 -2.255 -2.295
40 H10 H H9 N N N 0 2.544 -3.864 0.134
41 H9 H H10 N N N 0 1.365 -3.451 1.406
42 H12 H H11 N N N 0 3.577 0.44 -0.5
43 H11 H H12 N N N 0 3.84 0.315 1.256
44 H13 H H13 N N N 0 5.809 -0.653 -0.864
45 H16 H H14 N N N 0 6.041 -0.298 2.159
46 H14 H H15 N N N 0 5.92 -1.854 1.303
47 H15 H H16 N N N 0 7.35 -0.819 1.072
48 H17 H H17 N N N 0 6.837 1.058 -2.014
49 H18 H H18 N N N 0 7.633 3.383 -2.172
50 H19 H H19 N N N 0 7.307 4.927 -0.281
51 H20 H H20 N N N 0 6.186 4.146 1.767
52 H21 H H21 N N N 0 5.385 1.822 1.923
53 H23 H H22 N N N 0 0.885 -0.771 1.663
54 H22 H H23 N N N 0 1.808 0.249 0.529
55 H24 H H24 N N N 0 0.567 -0.669 -1.372
56 H25 H H25 N N N 0 -0.595 -0.073 -0.162
57 H4 H H26 N N N 0 -7.292 0.611 1.707