Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : M54

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 53


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C C C N Y N 0 -3.673 -0.025 0.262
2 C1 C C1 N Y N 0 -3.438 -1.365 0.599
3 C2 C C2 N Y N 0 -2.171 -1.852 0.682
4 C3 C C3 N Y N 0 -2.613 0.829 0.005
5 C4 C C4 N Y N 0 -1.305 0.345 0.084
6 C5 C C5 N Y N 0 -1.076 -1.011 0.427
7 C6 C C6 N Y N 0 0.245 -1.497 0.507
8 C7 C C7 N Y N 0 1.309 -0.694 0.262
9 C8 C C8 N Y N 0 -0.154 1.203 -0.176
10 C9 C C9 N Y N 0 1.139 0.655 -0.08
11 C10 C C10 N N N 0 2.284 1.537 -0.346
12 C11 C C11 N N N 0 2.059 2.836 -0.672
13 N N N N N N 0 0.805 3.353 -0.761
14 C12 C C12 N N N 0 -0.297 2.611 -0.534
15 O O O N N N 0 -1.404 3.112 -0.624
16 C13 C C13 N Y N 0 -5.065 0.481 0.173
17 C14 C C14 N Y N 0 -6.202 -0.243 0.392
18 N15 N N15 N Y N 0 -7.252 0.583 0.211
19 N16 N N16 N Y N 0 -6.76 1.849 -0.128
20 C17 C C17 N Y N 0 -5.455 1.796 -0.148
21 C18 C C18 N N N 0 0.479 -2.941 0.873
22 C19 C C19 N N N 0 0.385 -3.807 -0.384
23 C20 C C20 N N N 0 0.623 -5.272 -0.013
24 N21 N N21 N N N 0 0.533 -6.104 -1.22
25 C22 C C22 N Y N 0 3.668 1.014 -0.259
26 C23 C C23 N Y N 0 4.105 0.039 -1.156
27 C24 C C24 N Y N 0 6.256 0.033 -0.103
28 C25 C C25 N Y N 0 5.831 1.006 0.79
29 C26 C C26 N Y N 0 5.395 -0.445 -1.074
30 C27 C C27 N Y N 0 4.538 1.499 0.715
31 O28 O O28 N N N 0 6.683 1.476 1.739
32 H1 H H1 N N N 0 -4.274 -2.02 0.797
33 H2 H H2 N N N 0 -2.007 -2.887 0.943
34 H3 H H3 N N N 0 -2.796 1.861 -0.256
35 H7 H H7 N N N 0 2.307 -1.101 0.333
36 H11 H H11 N N N 0 2.905 3.479 -0.866
37 HN H HN N N N 0 0.699 4.288 -0.997
38 H14 H H14 N N N 0 -6.251 -1.288 0.662
39 HN15 H HN15 N N N 0 -8.187 0.341 0.301
40 H17 H H17 N N N 0 -4.79 2.616 -0.377
41 H181 H 1H18 N N N 0 1.469 -3.047 1.315
42 H182 H 2H18 N N N 0 -0.276 -3.26 1.592
43 H191 H 1H19 N N N 0 -0.605 -3.7 -0.826
44 H192 H 2H19 N N N 0 1.14 -3.487 -1.103
45 H201 H 1H20 N N N 0 1.613 -5.379 0.429
46 H202 H 2H20 N N N 0 -0.132 -5.592 0.705
47 H211 H 1H21 N N N 0 1.179 -5.786 -1.927
48 H212 H 2H21 N N N 0 0.686 -7.077 -1.001
49 H23 H H23 N N N 0 3.435 -0.336 -1.915
50 H24 H H24 N N N 0 7.264 -0.35 -0.043
51 H26 H H26 N N N 0 5.732 -1.2 -1.768
52 H27 H H27 N N N 0 4.206 2.257 1.409
53 HO28 H HO28 N N N 0 7.202 2.242 1.457