Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : NQR

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 40


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N Y N 0 -2.162 2.167 -0.301
2 C12 C C2 N Y N 0 0.837 -1.027 -0.189
3 C13 C C3 N Y N 0 -0.055 -2.028 0.032
4 C14 C C4 N N N 0 -2.852 -3.398 0.485
5 C15 C C5 N N N 0 2.292 -1.196 -0.311
6 C18 C C6 N N N 0 4.527 -0.26 -0.662
7 C19 C C7 N N N 0 5.326 0.449 0.436
8 C2 C C8 N Y N 0 -3.283 2.943 -0.294
9 C20 C C9 N N N 0 4.855 1.901 0.548
10 C21 C C10 N N N 0 3.374 1.93 0.933
11 C22 C C11 N N N 0 2.553 1.238 -0.16
12 C3 C C12 N Y N 0 -4.539 2.377 -0.1
13 C4 C C13 N Y N 0 -4.682 1.035 0.087
14 C5 C C14 N Y N 0 -3.552 0.204 0.084
15 C6 C C15 N Y N 0 -2.276 0.782 -0.119
16 C7 C C16 N Y N 0 -1.139 -0.056 -0.121
17 C8 C C17 N Y N 0 -1.338 -1.431 0.081
18 C9 C C18 N Y N 0 -2.642 -1.921 0.276
19 N10 N N1 N Y N 0 -3.676 -1.12 0.266
20 N17 N N2 N N N 0 3.093 -0.114 -0.376
21 O11 O O1 N Y N 0 0.177 0.148 -0.278
22 O16 O O2 N N N 0 2.773 -2.312 -0.354
23 H1 H H1 N N N 0 -1.192 2.616 -0.452
24 H2 H H2 N N N 0 0.171 -3.077 0.149
25 H3 H H3 N N N 0 -2.995 -3.885 -0.48
26 H4 H H4 N N N 0 -1.98 -3.823 0.981
27 H5 H H5 N N N 0 -3.735 -3.555 1.105
28 H6 H H6 N N N 0 4.754 0.19 -1.628
29 H7 H H7 N N N 0 4.789 -1.318 -0.68
30 H8 H H8 N N N 0 5.167 -0.059 1.387
31 H9 H H9 N N N 0 6.386 0.428 0.185
32 H10 H H10 N N N 0 -3.194 4.01 -0.439
33 H11 H H11 N N N 0 5.439 2.414 1.311
34 H12 H H12 N N N 0 4.991 2.401 -0.411
35 H13 H H13 N N N 0 3.234 1.409 1.879
36 H14 H H14 N N N 0 3.046 2.965 1.035
37 H15 H H15 N N N 0 1.512 1.169 0.155
38 H16 H H16 N N N 0 2.618 1.812 -1.084
39 H17 H H17 N N N 0 -5.413 3.011 -0.097
40 H18 H H18 N N N 0 -5.665 0.612 0.236