Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 8A3

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 67


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 F67 F F1 N N N 0 -8.365 -0.924 1.312
2 C56 C C1 N N N 0 -7.823 0.244 0.764
3 F64 F F2 N N N 0 -8.025 0.247 -0.62
4 F65 F F3 N N N 0 -8.45 1.359 1.331
5 C54 C C2 N N N 0 -6.323 0.297 1.061
6 N51 N N1 N N N 0 -5.666 -0.87 0.468
7 C55 C C3 N N N 0 -5.623 -2.138 1.202
8 S44 S S1 N N N 0 -4.972 -0.757 -1.031
9 O52 O O1 N N N 0 -4.93 -2.078 -1.554
10 O53 O O2 N N N 0 -5.62 0.32 -1.693
11 C41 C C4 N Y N 0 -3.297 -0.262 -0.795
12 C40 C C5 N Y N 0 -2.312 -1.219 -0.636
13 C39 C C6 N Y N 0 -0.998 -0.837 -0.451
14 C42 C C7 N Y N 0 -2.973 1.082 -0.775
15 C43 C C8 N Y N 0 -1.663 1.476 -0.591
16 C32 C C9 N Y N 0 -0.666 0.516 -0.425
17 C19 C C10 N Y N 0 0.744 0.933 -0.227
18 C18 C C11 N Y N 0 1.077 2.286 -0.206
19 C17 C C12 N Y N 0 2.39 2.668 -0.021
20 C33 C C13 N N N 0 2.751 4.131 0.003
21 F49 F F4 N N N 0 1.597 4.899 -0.182
22 F48 F F5 N N N 0 3.33 4.448 1.236
23 F47 F F6 N N N 0 3.661 4.403 -1.024
24 C16 C C14 N Y N 0 3.375 1.711 0.144
25 C20 C C15 N Y N 0 1.739 -0.027 -0.055
26 C15 C C16 N Y N 0 3.05 0.367 0.123
27 C4 C C17 S N N 0 4.128 -0.67 0.309
28 C13 C C18 N N N 0 5.456 0.018 0.63
29 C34 C C19 N N N 0 5.345 0.739 1.975
30 C14 C C20 N N N 0 6.569 -1.031 0.705
31 C3 C C21 N N N 0 3.751 -1.6 1.435
32 C8 C C22 N N N 0 3.302 -1.03 2.67
33 N9 N N2 N N N 0 2.946 -0.579 3.649
34 C2 C C23 N N N 0 3.817 -2.944 1.333
35 N7 N N3 N N N 0 3.452 -3.686 2.428
36 C5 C C24 N Y N 0 4.269 -1.488 -0.949
37 C10 C C25 N Y N 0 4.378 -1.086 -2.224
38 C12 C C26 N N N 0 4.381 0.341 -2.709
39 N63 N N4 N Y N 0 4.484 -2.192 -2.996
40 N11 N N5 N Y N 0 4.437 -3.316 -2.156
41 C6 C C27 N Y N 0 4.308 -2.9 -0.929
42 H3 H H3 N N N 0 -4.723 -2.171 1.816
43 O1 O O3 N N N 0 4.215 -3.608 0.23
44 H1 H H1 N N N 0 -5.901 1.207 0.635
45 H2 H H2 N N N 0 -6.165 0.294 2.139
46 H4 H H4 N N N 0 -6.502 -2.218 1.841
47 H5 H H5 N N N 0 -5.611 -2.967 0.494
48 H6 H H6 N N N 0 -2.57 -2.268 -0.656
49 H7 H H7 N N N 0 -0.23 -1.585 -0.327
50 H8 H H8 N N N 0 -3.746 1.825 -0.904
51 H9 H H9 N N N 0 -1.41 2.526 -0.575
52 H10 H H10 N N N 0 0.308 3.034 -0.334
53 H11 H H11 N N N 0 4.401 2.014 0.287
54 H12 H H12 N N N 0 1.486 -1.077 -0.066
55 H13 H H13 N N N 0 5.69 0.74 -0.152
56 H14 H H14 N N N 0 5.247 0.005 2.774
57 H15 H H15 N N N 0 6.24 1.34 2.14
58 H16 H H16 N N N 0 4.469 1.388 1.968
59 H17 H H17 N N N 0 7.515 -0.54 0.933
60 H18 H H18 N N N 0 6.335 -1.753 1.487
61 H19 H H19 N N N 0 6.648 -1.545 -0.253
62 H20 H H20 N N N 0 3.159 -3.242 3.239
63 H21 H H21 N N N 0 3.487 -4.655 2.391
64 H22 H H22 N N N 0 5.405 0.715 -2.73
65 H23 H H23 N N N 0 3.958 0.385 -3.713
66 H24 H H24 N N N 0 3.783 0.955 -2.036
67 H25 H H25 N N N 0 4.575 -2.206 -3.961