Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 67S

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 60


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 O4 O O1 N N N 0 6.831 -1.359 -1.154
2 S S S1 N N N 0 5.799 -1.796 -0.28
3 O3 O O2 N N N 0 4.882 -2.806 -0.677
4 C19 C C1 N N N 0 6.468 -2.154 1.367
5 C18 C C2 N Y N 0 4.795 -0.366 -0.046
6 C20 C C3 N Y N 0 3.423 -0.459 -0.172
7 C16 C C4 N Y N 0 5.382 0.845 0.27
8 C17 C C5 N N N 0 6.879 0.941 0.413
9 O2 O O3 N N N 0 7.234 2.261 0.829
10 C15 C C6 N Y N 0 4.598 1.969 0.455
11 C14 C C7 N Y N 0 3.226 1.885 0.326
12 C13 C C8 N Y N 0 2.632 0.668 0.019
13 N4 N N1 N N N 0 1.245 0.579 -0.113
14 C21 C C9 N N N 0 0.609 1.885 0.112
15 C4 C C10 R N N 0 -0.899 1.762 -0.119
16 C2 C C11 N N N 0 -1.161 1.346 -1.567
17 C3 C C12 N N N 0 -2.665 1.387 -1.845
18 C1 C C13 N N N 0 -0.442 2.31 -2.513
19 C12 C C14 N N N 0 0.693 -0.436 0.795
20 C11 C C15 N N N 0 -0.815 -0.558 0.564
21 N1 N N2 N N N 0 -1.45 0.747 0.79
22 C5 C C16 N Y N 0 -2.825 0.659 0.66
23 N2 N N3 N Y N 0 -3.375 -0.514 0.381
24 C6 C C17 N Y N 0 -4.685 -0.632 0.25
25 C7 C C18 N N N 0 -5.302 -1.971 -0.066
26 F2 F F1 N N N 0 -6.268 -2.279 0.898
27 F1 F F2 N N N 0 -5.904 -1.92 -1.328
28 F3 F F3 N N N 0 -4.308 -2.955 -0.062
29 N3 N N4 N Y N 0 -3.561 1.749 0.821
30 C10 C C19 N Y N 0 -4.878 1.699 0.703
31 C8 C C20 N Y N 0 -5.485 0.489 0.407
32 C9 C C21 N N N 0 -6.982 0.393 0.265
33 O1 O O4 N N N 0 -7.564 1.681 0.479
34 H1 H H1 N N N 0 7.016 -3.096 1.34
35 H2 H H2 N N N 0 7.141 -1.351 1.668
36 H3 H H3 N N N 0 5.649 -2.23 2.083
37 H7 H H7 N N N 0 8.186 2.396 0.941
38 H4 H H4 N N N 0 2.966 -1.405 -0.419
39 H5 H H5 N N N 0 7.22 0.222 1.158
40 H6 H H6 N N N 0 7.35 0.723 -0.545
41 H8 H H8 N N N 0 5.06 2.914 0.701
42 H9 H H9 N N N 0 2.614 2.763 0.47
43 H10 H H10 N N N 0 0.795 2.207 1.137
44 H11 H H11 N N N 0 1.026 2.616 -0.58
45 H12 H H12 N N N 0 -1.376 2.723 0.076
46 H13 H H13 N N N 0 -0.789 0.335 -1.728
47 H14 H H14 N N N 0 -3.094 2.28 -1.391
48 H15 H H15 N N N 0 -2.835 1.409 -2.922
49 H16 H H16 N N N 0 -3.137 0.501 -1.421
50 H17 H H17 N N N 0 0.63 2.282 -2.315
51 H18 H H18 N N N 0 -0.628 2.014 -3.545
52 H19 H H19 N N N 0 -0.813 3.322 -2.352
53 H20 H H20 N N N 0 1.17 -1.397 0.6
54 H21 H H21 N N N 0 0.88 -0.14 1.828
55 H22 H H22 N N N 0 -1.001 -0.881 -0.46
56 H23 H H23 N N N 0 -1.231 -1.29 1.257
57 H24 H H24 N N N 0 -5.472 2.591 0.835
58 H25 H H25 N N N 0 -7.23 0.045 -0.738
59 H26 H H26 N N N 0 -7.373 -0.309 1.001
60 H27 H H27 N N N 0 -8.528 1.694 0.403