Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : GAS

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 49


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 -2.089 1.66 1.885
2 C2 C C2 N Y N 0 -2.91 2.529 2.579
3 C3 C C3 N Y N 0 -2.739 2.702 3.94
4 C4 C C4 N Y N 0 -1.749 2.006 4.607
5 C5 C C5 N Y N 0 -0.931 1.134 3.913
6 C6 C C6 N Y N 0 -1.098 0.965 2.551
7 C7 C C7 N N N 0 -0.203 0.017 1.794
8 N7 N N7 N N N 0 0.127 0.596 0.49
9 C1A C C1A N Y N 0 -0.916 -1.295 1.595
10 C2A C C2A N Y N 0 -0.557 -2.397 2.348
11 C3A C C3A N Y N 0 -1.211 -3.601 2.165
12 C4A C C4A N Y N 0 -2.223 -3.703 1.229
13 C5A C C5A N Y N 0 -2.582 -2.601 0.477
14 C6A C C6A N Y N 0 -1.931 -1.395 0.663
15 C8 C C8 N N N 0 1.329 0.298 -0.109
16 N8 N N8 N N N 0 2.182 -0.48 0.493
17 C9 C C9 N N N 0 3.5 -0.719 -0.098
18 C10 C C10 N N N 0 4.566 -0.143 0.797
19 O1 O O1 N N N 0 4.256 0.41 1.825
20 O2 O O2 N N N 0 5.86 -0.245 0.453
21 N11 N N11 N N N 0 1.63 0.823 -1.346
22 C1B C C1B N Y N 0 0.737 0.667 -2.405
23 C2B C C2B N Y N 0 0.961 1.332 -3.606
24 C3B C C3B N Y N 0 0.082 1.18 -4.655
25 C4B C C4B N Y N 0 -1.037 0.356 -4.511
26 C7B C C7B N N N 0 -1.954 0.196 -5.599
27 N7B N N7B N N N 0 -2.682 0.069 -6.463
28 C5B C C5B N Y N 0 -1.26 -0.31 -3.303
29 C6B C C6B N Y N 0 -0.373 -0.158 -2.261
30 H1 H H1 N N N 0 -2.222 1.525 0.822
31 H2 H H2 N N N 0 -3.684 3.073 2.059
32 H7 H H7 N N N 0 0.712 -0.148 2.361
33 H3 H H3 N N N 0 -3.38 3.382 4.483
34 H4 H H4 N N N 0 -1.615 2.141 5.67
35 H5 H H5 N N N 0 -0.157 0.59 4.434
36 HN7 H HN7 N N N 0 -0.5 1.189 0.049
37 H2A H H2A N N N 0 0.233 -2.317 3.079
38 H3A H H3A N N N 0 -0.93 -4.462 2.753
39 H4A H H4A N N N 0 -2.733 -4.644 1.086
40 H5A H H5A N N N 0 -3.373 -2.68 -0.254
41 H6A H H6A N N N 0 -2.212 -0.534 0.075
42 H91 H 1H9 N N N 0 3.551 -0.242 -1.077
43 H92 H 2H9 N N N 0 3.66 -1.792 -0.209
44 HO2 H HO2 N N N 0 6.543 0.124 1.028
45 HN1 H HN1 N N N 0 2.463 1.301 -1.48
46 H2B H H2B N N N 0 1.827 1.969 -3.716
47 H3B H H3B N N N 0 0.257 1.698 -5.586
48 H5B H H5B N N N 0 -2.124 -0.948 -3.189
49 H6B H H6B N N N 0 -0.545 -0.673 -1.328