Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : QI0

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 51


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C18 C C1 N N N 0 -6.551 -0.428 0.223
2 C19 C C2 N N N 0 -4.485 0.72 -1.299
3 C20 C C3 N N N 0 -3.769 0.883 0.044
4 C17 C C4 N N N 0 -5.638 -0.154 1.422
5 C16 C C5 N N N 0 -3.386 -1.073 1.437
6 C7 C C6 N Y N 0 4.431 3.622 0.408
7 N1 N N1 N Y N 0 0.301 -1.371 1.281
8 C3 C C7 N Y N 0 5.074 -0.498 -0.434
9 C2 C C8 N Y N 0 4.196 -1.578 -0.14
10 C8 C C9 N Y N 0 5.709 3.092 0.484
11 C4 C C10 N Y N 0 4.85 0.94 -0.14
12 C6 C C11 N Y N 0 3.362 2.813 0.059
13 C11 C C12 N Y N 0 0.551 -1.281 -0.017
14 C12 C C13 N Y N 0 -0.925 -1.308 1.757
15 N N N2 N Y N 0 6.123 -1.028 -1.012
16 C13 C C14 N Y N 0 -2.013 -1.143 0.9
17 C14 C C15 N Y N 0 -1.783 -1.044 -0.48
18 C15 C C16 N Y N 0 -0.482 -1.115 -0.934
19 C C C17 N N N 0 4.375 -4.095 -0.547
20 O O O1 N Y N 0 6.014 -2.229 -1.108
21 C1 C C18 N Y N 0 4.852 -2.666 -0.601
22 C10 C C19 N N N 0 2.848 -1.522 0.532
23 C5 C C20 N Y N 0 3.566 1.476 -0.215
24 C9 C C21 N Y N 0 5.922 1.757 0.211
25 F F F1 N N N 0 4.226 4.929 0.681
26 N2 N N3 N N N 0 -4.243 -0.138 0.979
27 O1 O O2 N N N 0 1.83 -1.351 -0.457
28 O2 O O3 N N N 0 -3.745 -1.86 2.292
29 O3 O O4 N N N 0 -6.944 0.473 -2.228
30 O4 O O5 N N N 0 -6.556 2.124 -0.456
31 S S S1 N N N 0 -6.277 0.856 -1.033
32 H15 H H1 N N N 0 -6.318 -1.406 -0.198
33 H14 H H2 N N N 0 -7.593 -0.406 0.545
34 H16 H H3 N N N 0 -4.157 1.501 -1.985
35 H17 H H4 N N N 0 -4.252 -0.259 -1.72
36 H18 H H5 N N N 0 -2.694 0.772 -0.101
37 H19 H H6 N N N 0 -3.98 1.873 0.45
38 H13 H H7 N N N 0 -5.891 0.812 1.859
39 H12 H H8 N N N 0 -5.773 -0.937 2.168
40 H5 H H9 N N N 0 6.54 3.726 0.756
41 H4 H H10 N N N 0 2.367 3.229 0.002
42 H9 H H11 N N N 0 -1.089 -1.386 2.822
43 H10 H H12 N N N 0 -2.604 -0.916 -1.17
44 H11 H H13 N N N 0 -0.268 -1.042 -1.99
45 H1 H H14 N N N 0 5.128 -4.746 -0.99
46 H H H15 N N N 0 4.211 -4.384 0.491
47 H2 H H16 N N N 0 3.442 -4.187 -1.102
48 H7 H H17 N N N 0 2.674 -2.45 1.076
49 H8 H H18 N N N 0 2.823 -0.683 1.227
50 H3 H H19 N N N 0 2.732 0.846 -0.488
51 H6 H H20 N N N 0 6.919 1.345 0.27