Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : QI9

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 48


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C C C20 N N N 0 -4.813 3.175 0.377
2 C1 C C19 N Y N 0 -3.344 1.31 0.247
3 C10 C C1 R N N 0 0.321 -0.683 1.199
4 C11 C C2 S N N 0 1.229 0.187 0.327
5 C12 C C10 N N N 0 2.038 -0.705 -0.618
6 C13 C C9 S N N 0 3.532 -0.494 -0.342
7 C14 C C4 N N N 0 3.812 -0.846 1.125
8 C15 C C3 N N N 0 2.954 0.051 2.022
9 C16 C C5 N N N 0 3.006 1.833 0.383
10 C17 C C6 R N N 0 3.865 0.988 -0.561
11 C18 C C7 N N N 0 3.567 1.366 -1.989
12 C19 C C8 N N N 0 4.522 1.828 -2.757
13 C2 C C16 N Y N 0 -2.175 0.673 0.55
14 C3 C C15 N Y N 0 -1.94 -0.618 0.052
15 C4 C C11 N Y N 0 -0.748 -1.309 0.341
16 C5 C C12 N Y N 0 -0.591 -2.565 -0.172
17 C6 C C13 N Y N 0 -1.593 -3.124 -0.962
18 C7 C C14 N Y N 0 -2.917 -1.244 -0.762
19 C8 C C17 N Y N 0 -4.107 -0.555 -1.057
20 C9 C C18 N Y N 0 -4.303 0.697 -0.565
21 H1 H H1 N N N 0 1.542 -2.299 1.192
22 H10 H H10 N N N 0 3.652 2.409 1.045
23 H11 H H11 N N N 0 4.92 1.162 -0.35
24 H12 H H12 N N N 0 2.566 1.255 -2.38
25 H13 H H13 N N N 0 5.523 1.939 -2.366
26 H14 H H14 N N N 0 4.309 2.099 -3.78
27 H15 H H15 N N N 0 4.139 -1.116 -0.999
28 H16 H H16 N N N 0 1.779 -1.75 -0.446
29 H17 H H17 N N N 0 1.816 -0.438 -1.652
30 H18 H H18 N N N 0 0.31 -3.124 0.034
31 H19 H H19 N N N 0 -1.454 -4.118 -1.361
32 H2 H H2 N N N 0 -0.144 -0.066 1.967
33 H20 H H20 N N N 0 -1.435 1.159 1.168
34 H21 H H21 N N N 0 -4.863 -1.02 -1.673
35 H22 H H22 N N N 0 -5.219 1.221 -0.795
36 H23 H H23 N N N 0 -4.882 3.261 -0.707
37 H24 H H24 N N N 0 -5.638 2.564 0.746
38 H25 H H25 N N N 0 -4.867 4.167 0.825
39 H3 H H3 N N N 0 0.619 0.877 -0.257
40 H5 H H5 N N N 0 3.601 0.642 2.67
41 H6 H H6 N N N 0 2.296 -0.568 2.631
42 H7 H H7 N N N 0 4.867 -0.681 1.345
43 H8 H H8 N N N 0 3.559 -1.891 1.304
44 H9 H H9 N N N 0 2.384 2.512 -0.201
45 N N N2 N Y N 0 -2.7 -2.476 -1.233
46 N1 N N1 S N N 0 2.148 0.949 1.184
47 O O O2 N N N 0 -3.572 2.56 0.728
48 O1 O O1 N N N 0 1.098 -1.711 1.818