Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : XF4

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 55


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N N N 0 -0.961 1.403 -0.52
2 C2 C C2 N N N 0 -1.673 -0.828 0.067
3 C3 C C3 N N N 0 -0.682 0.021 -0.394
4 C4 C C4 N Y N 0 0.655 -0.51 -0.75
5 C5 C C5 N Y N 0 0.794 -1.392 -1.821
6 C6 C C6 N Y N 0 -2.432 3.253 -0.323
7 C7 C C7 N Y N 0 2.041 -1.885 -2.151
8 C8 C C8 N Y N 0 3.154 -1.505 -1.422
9 C9 C C9 N Y N 0 3.024 -0.627 -0.355
10 C10 C C10 N N N 0 5.374 -0.81 -0.046
11 C11 C C11 N Y N 0 6.465 -0.29 0.854
12 C12 C C12 N Y N 0 1.777 -0.124 -0.02
13 C13 C C13 N Y N 0 -3.273 3.724 -1.322
14 C14 C C14 N Y N 0 -2.986 5.901 -0.626
15 C15 C C15 N Y N 0 -2.139 5.51 0.394
16 C16 C C16 N Y N 0 -1.851 4.164 0.556
17 C17 C C17 N N N 0 -3.159 1.058 0.251
18 C18 C C18 N N N 0 -2.933 -0.292 0.397
19 C24 C C19 N N N 0 -4.015 -1.179 0.892
20 C25 C C20 N N N 0 -4.491 -1.056 2.163
21 C26 C C21 N N N 0 -4.602 -2.207 0.023
22 C30 C C22 N N N 0 -6.01 -2.826 1.783
23 C32 C C23 N Y N 0 6.796 -0.977 2.007
24 C33 C C24 N Y N 0 7.797 -0.499 2.832
25 C34 C C25 N Y N 0 8.467 0.665 2.505
26 C35 C C26 N Y N 0 8.136 1.351 1.352
27 C36 C C27 N Y N 0 7.139 0.871 0.523
28 N19 N N1 N N N 0 -2.176 1.882 -0.196
29 N20 N N2 N Y N 0 -3.521 5.013 -1.441
30 N28 N N3 N N N 0 -5.584 -2.99 0.518
31 N29 N N4 N N N 0 -5.488 -1.888 2.591
32 O21 O O1 N N N 0 -0.095 2.164 -0.92
33 O22 O O2 N N N 0 4.12 -0.257 0.358
34 O27 O O3 N N N 0 -4.213 -2.349 -1.121
35 O31 O O4 N N N 0 -6.895 -3.544 2.206
36 CL23 CL CL1 N N N 0 2.213 -2.984 -3.484
37 H1 H H1 N N N 0 -1.483 -1.887 0.171
38 H2 H H2 N N N 0 -0.073 -1.691 -2.391
39 H3 H H3 N N N 0 4.127 -1.896 -1.681
40 H4 H H4 N N N 0 5.583 -0.521 -1.076
41 H5 H H5 N N N 0 5.331 -1.897 0.026
42 H6 H H6 N N N 0 1.675 0.56 0.81
43 H7 H H7 N N N 0 -3.73 3.026 -2.009
44 H8 H H8 N N N 0 -3.214 6.949 -0.756
45 H9 H H9 N N N 0 -1.706 6.244 1.057
46 H10 H H10 N N N 0 -1.192 3.83 1.344
47 H11 H H11 N N N 0 -4.125 1.467 0.504
48 H13 H H13 N N N 0 -4.084 -0.308 2.827
49 H14 H H14 N N N 0 6.273 -1.886 2.263
50 H15 H H15 N N N 0 8.056 -1.036 3.734
51 H16 H H16 N N N 0 9.249 1.038 3.15
52 H17 H H17 N N N 0 8.663 2.258 1.093
53 H18 H H18 N N N 0 6.88 1.407 -0.378
54 H19 H H19 N N N 0 -5.981 -3.677 -0.04
55 H12 H H12 N N N 0 -5.825 -1.8 3.496