Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : XO4

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 64


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C10 C C1 N N N 0 0.744 -2.735 -1.495
2 C13 C C2 N Y N 0 2.801 -0.546 -1.468
3 C20 C C3 N Y N 0 3.721 3.578 -1.051
4 C21 C C4 N Y N 0 4.235 4.315 -0.001
5 C22 C C5 N Y N 0 3.75 4.123 1.282
6 C24 C C6 N Y N 0 2.75 3.193 1.511
7 C26 C C7 N Y N 0 -2.544 -1.521 -0.126
8 C28 C C8 N Y N 0 -4.236 0.158 0.158
9 C01 C C9 N N N 0 5.155 -3.961 3.099
10 C02 C C10 N N N 0 3.907 -3.085 3.221
11 C03 C C11 N N N 0 3.036 -3.262 1.975
12 C04 C C12 N N N 0 1.788 -2.386 2.097
13 C05 C C13 S N N 0 0.858 -2.657 0.912
14 C06 C C14 N N N 0 -0.408 -1.816 1.054
15 C08 C C15 N N N 0 -0.682 -2.286 -1.344
16 C12 C C16 N N N 0 1.781 -0.84 -0.399
17 C14 C C17 N Y N 0 3.731 -1.395 -1.945
18 C16 C C18 N Y N 0 3.983 0.466 -3.008
19 C18 C C19 N N N 0 2.16 1.85 -1.968
20 C19 C C20 N Y N 0 2.719 2.653 -0.822
21 C25 C C21 N Y N 0 2.238 2.457 0.459
22 C27 C C22 N Y N 0 -2.898 -0.2 0.111
23 C29 C C23 N Y N 0 -5.219 -0.804 -0.032
24 C30 C C24 N Y N 0 -4.864 -2.118 -0.274
25 C31 C C25 N Y N 0 -3.532 -2.479 -0.322
26 C33 C C26 N N N 0 -5.984 1.748 0.426
27 F23 F F1 N N N 0 4.252 4.842 2.309
28 F34 F F2 N N N 0 -6.562 1.418 -0.804
29 F35 F F3 N N N 0 -6.163 3.113 0.674
30 F36 F F4 N N N 0 -6.593 1.005 1.442
31 N07 N N1 N N N 0 -1.195 -1.887 -0.175
32 N11 N N2 N N N 0 1.534 -2.286 -0.341
33 N15 N N3 N Y N 0 4.439 -0.75 -2.884
34 N17 N N4 N Y N 0 2.956 0.633 -2.146
35 O09 O O1 N N N 0 -1.398 -2.284 -2.322
36 O32 O O2 N N N 0 -4.586 1.45 0.391
37 H1 H H1 N N N 0 0.776 -3.822 -1.556
38 H2 H H2 N N N 0 1.162 -2.309 -2.408
39 H3 H H3 N N N 0 4.099 3.728 -2.051
40 H4 H H4 N N N 0 5.015 5.04 -0.181
41 H5 H H5 N N N 0 2.372 3.042 2.511
42 H6 H H6 N N N 0 4.859 -5.006 3.009
43 H7 H H7 N N N 0 5.721 -3.667 2.216
44 H8 H H8 N N N 0 5.775 -3.835 3.987
45 H9 H H9 N N N 0 3.341 -3.38 4.105
46 H10 H H10 N N N 0 4.203 -2.04 3.311
47 H11 H H11 N N N 0 3.602 -2.968 1.092
48 H12 H H12 N N N 0 2.74 -4.307 1.885
49 H13 H H13 N N N 0 1.269 -2.62 3.027
50 H14 H H14 N N N 0 2.079 -1.336 2.097
51 H15 H H15 N N N 0 0.596 -3.715 0.887
52 H16 H H16 N N N 0 -1.004 -2.196 1.884
53 H17 H H17 N N N 0 -0.134 -0.78 1.252
54 H18 H H18 N N N 0 2.156 -0.496 0.566
55 H19 H H19 N N N 0 0.851 -0.321 -0.632
56 H20 H H20 N N N 0 3.882 -2.416 -1.627
57 H21 H H21 N N N 0 4.359 1.214 -3.691
58 H22 H H22 N N N 0 1.127 1.579 -1.751
59 H23 H H23 N N N 0 2.196 2.445 -2.88
60 H24 H H24 N N N 0 1.458 1.731 0.637
61 H25 H H25 N N N 0 -2.132 0.547 0.259
62 H26 H H26 N N N 0 -6.261 -0.524 0.005
63 H27 H H27 N N N 0 -5.63 -2.864 -0.421
64 H28 H H28 N N N 0 -3.257 -3.506 -0.511