Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : N9H

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 52


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 -4.841 -0.938 -0.033
2 C2 C C2 N Y N 0 -3.476 -1.031 0.154
3 C3 C C3 N Y N 0 -2.644 0.011 -0.263
4 C4 C C4 N Y N 0 -3.202 1.145 -0.863
5 C5 C C5 N Y N 0 -4.569 1.221 -1.05
6 C6 C C6 N Y N 0 -5.387 0.186 -0.634
7 C10 C C10 N N N 0 -1.186 -0.081 -0.066
8 N1 N N1 N N N 0 -0.331 0.818 -0.412
9 N12 N N12 N N N 0 0.99 0.491 -0.115
10 C13 C C13 S N N 0 1.021 -0.835 0.522
11 C14 C C14 N N N 0 -0.464 -1.246 0.572
12 C17 C C17 N Y N 0 1.814 -1.812 -0.307
13 C19 C C19 N Y N 0 1.951 -1.612 -1.668
14 C20 C C20 N Y N 0 2.678 -2.509 -2.429
15 C21 C C21 N Y N 0 3.269 -3.605 -1.828
16 C22 C C22 N Y N 0 3.133 -3.804 -0.467
17 C23 C C23 N Y N 0 2.41 -2.905 0.294
18 C29 C C29 N N N 0 2.066 1.261 -0.375
19 N30 N N30 N N N 0 1.92 2.414 -1.059
20 C31 C C31 N N N 0 3.088 3.251 -1.341
21 O39 O O39 N N N 0 3.167 0.916 0.007
22 F40 F F40 N N N 0 -2.405 2.157 -1.27
23 F41 F F41 N N N 0 -5.647 -1.944 0.37
24 C11 C C11 N N N 0 1.57 0.591 4.054
25 C7 C C7 N N N 0 1.6 -0.731 1.934
26 C8 C C8 N N N 0 0.911 0.41 2.685
27 C9 C C9 N N N 0 2.651 4.491 -2.124
28 N2 N N2 N N N 0 0.909 1.687 4.775
29 H2 H H2 N N N 0 -3.052 -1.907 0.622
30 H5 H H5 N N N 0 -5.001 2.094 -1.517
31 H6 H H6 N N N 0 -6.455 0.254 -0.778
32 H141 H 1H14 N N N 0 -0.792 -1.381 1.603
33 H142 H 2H14 N N N 0 -0.624 -2.157 -0.004
34 H19 H H19 N N N 0 1.489 -0.756 -2.138
35 H20 H H20 N N N 0 2.784 -2.353 -3.492
36 H21 H H21 N N N 0 3.837 -4.305 -2.422
37 H22 H H22 N N N 0 3.595 -4.66 0.002
38 H23 H H23 N N N 0 2.303 -3.061 1.358
39 HN30 H HN30 N N N 0 1.041 2.689 -1.364
40 H311 H 1H31 N N N 0 3.808 2.684 -1.932
41 H312 H 2H31 N N N 0 3.551 3.558 -0.403
42 H71 H 1H7 N N N 0 1.432 -1.668 2.465
43 H72 H 2H7 N N N 0 2.67 -0.534 1.875
44 H81 H 1H8 N N N 0 1.007 1.332 2.111
45 H82 H 2H8 N N N 0 -0.144 0.173 2.818
46 H91 H 1H9 N N N 0 2.188 4.184 -3.062
47 H92 H 2H9 N N N 0 1.932 5.058 -1.533
48 H93 H 3H9 N N N 0 3.52 5.113 -2.334
49 H111 H 1H11 N N N 0 1.474 -0.331 4.628
50 H112 H 2H11 N N N 0 2.625 0.828 3.921
51 HN21 H 1HN2 N N N 0 -0.034 1.382 4.966
52 HN22 H 2HN2 N N N 0 1.373 1.769 5.667