Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : X3U

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 41


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 -1.236 -0.389 -1.003
2 C12 C C2 N N N 0 -3.43 -0.915 0.151
3 C17 C C7 N N N 0 -2.553 1.44 -0.185
4 CL1 CL CL1 N N N 0 -5.761 -1.658 1.353
5 C03 C C3 N N N 0 3.164 -4.082 0.094
6 C04 C C4 N Y N 0 3.091 -2.587 0.27
7 C07 C C5 N Y N 0 1.876 0.793 -0.538
8 C11 C C6 R N N 0 -2.709 0.034 -0.809
9 C18 C C8 N N N 0 -1.194 1.906 -0.656
10 C20 C C9 N Y N 0 2.393 1.773 0.225
11 C22 C C10 N Y N 0 3.27 -0.076 0.911
12 C01 C C11 N N N 0 2.29 -5.886 -1.219
13 C08 C C12 N N N 0 0.878 0.964 -1.653
14 C13 C C13 N N N 0 -4.912 -0.54 0.222
15 C24 C C14 N N N 0 2.072 3.241 0.111
16 F14 F F1 N N N 0 -5.039 0.775 0.682
17 F15 F F2 N N N 0 -5.481 -0.645 -1.052
18 F25 F F3 N N N 0 1.749 3.546 -1.215
19 F26 F F4 N N N 0 0.985 3.546 0.938
20 F27 F F5 N N N 0 3.184 3.993 0.506
21 N05 N N1 N Y N 0 2.374 -1.76 -0.409
22 N06 N N2 N Y N 0 2.431 -0.405 -0.109
23 N09 N N3 N N N 0 -0.48 0.863 -1.113
24 N21 N N4 N Y N 0 3.242 1.221 1.103
25 O02 O O1 N N N 0 2.296 -4.479 -0.969
26 O19 O O2 N N N 0 -0.804 3.055 -0.625
27 S23 S S1 N Y N 0 3.97 -1.607 1.458
28 H1 H H1 N N N 0 -0.892 -0.963 -0.142
29 H2 H H2 N N N 0 -1.13 -0.978 -1.915
30 H3 H H3 N N N 0 -3.331 -1.939 -0.208
31 H4 H H4 N N N 0 -2.987 -0.833 1.143
32 H5 H H5 N N N 0 4.188 -4.37 -0.145
33 H6 H H6 N N N 0 2.855 -4.571 1.018
34 H7 H H7 N N N 0 -3.229 0.087 -1.766
35 H8 H H8 N N N 0 -3.334 2.108 -0.55
36 H9 H H9 N N N 0 -2.582 1.38 0.903
37 H10 H H10 N N N 0 3.296 -6.212 -1.486
38 H11 H H11 N N N 0 1.963 -6.413 -0.323
39 H12 H H12 N N N 0 1.607 -6.106 -2.04
40 H13 H H13 N N N 0 1.014 1.942 -2.115
41 H14 H H14 N N N 0 1.031 0.185 -2.4