Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : BOU

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 S1 S S1 N N N 0 -3.13 0.858 -0.985
2 C1 C C1 N N N 0 -4.883 0.417 -0.658
3 C2 C C2 S N N 0 -4.781 -0.91 0.118
4 N1 N N1 N N N 0 -3.402 -1.393 0.241
5 C3 C C3 R N N 0 -2.444 -0.255 0.311
6 C4 C C4 R N N 0 -1.025 -0.705 -0.043
7 C5 C C5 N N N 0 -1.01 -1.262 -1.443
8 O1 O O1 N N N 0 -0.311 -0.755 -2.287
9 C6 C C6 N N N 0 -5.559 1.493 0.195
10 C7 C C7 N N N 0 -5.642 0.217 -1.971
11 C8 C C8 N N N 0 -5.348 -0.711 1.499
12 O2 O O2 N N N 0 -6.677 -0.732 1.689
13 O3 O O3 N N N 0 -4.608 -0.532 2.437
14 N2 N N2 N N N 0 -0.115 0.44 0.037
15 C9 C C9 N N N 0 1.198 0.242 0.269
16 O4 O O4 N N N 0 1.627 -0.887 0.411
17 C10 C C10 N Y N 0 2.116 1.396 0.35
18 C11 C C11 N Y N 0 1.629 2.692 0.187
19 C12 C C12 N Y N 0 2.491 3.768 0.263
20 C13 C C13 N Y N 0 3.841 3.569 0.5
21 C14 C C14 N Y N 0 4.341 2.292 0.664
22 C15 C C15 N Y N 0 3.487 1.195 0.597
23 C16 C C16 N Y N 0 4.017 -0.175 0.778
24 C17 C C17 N Y N 0 4.547 -0.564 2.006
25 C18 C C18 N Y N 0 5.041 -1.843 2.17
26 C19 C C19 N Y N 0 5.015 -2.746 1.121
27 C20 C C20 N Y N 0 4.494 -2.379 -0.103
28 C21 C C21 N Y N 0 3.984 -1.094 -0.287
29 C22 C C22 N N N 0 3.42 -0.699 -1.592
30 O5 O O5 N N N 0 3.391 -1.582 -2.609
31 O6 O O6 N N N 0 2.982 0.424 -1.749
32 H3 H H3 N N N 0 -5.373 -1.666 -0.399
33 HN4 H HN4 N N N 0 -3.302 -2.0 1.041
34 H5 H H5 N N N 0 -2.47 0.221 1.292
35 H6 H H6 N N N 0 -0.703 -1.475 0.658
36 HO8 H HO8 N N N 0 -1.624 -2.115 -1.692
37 H9 H H9 N N N 0 -5.55 2.441 -0.342
38 H9A H H9A N N N 0 -6.589 1.2 0.4
39 H9B H H9B N N N 0 -5.019 1.603 1.136
40 H10 H H10 N N N 0 -5.161 -0.569 -2.553
41 H10A H H10A N N N 0 -6.672 -0.068 -1.755
42 H10B H H10B N N N 0 -5.635 1.147 -2.54
43 HO12 H HO12 N N N 0 -6.994 -0.6 2.592
44 HN14 H HN14 N N N 0 -0.457 1.34 -0.076
45 H18 H H18 N N N 0 0.578 2.855 0.001
46 H19 H H19 N N N 0 2.111 4.77 0.137
47 H20 H H20 N N N 0 4.506 4.417 0.558
48 H21 H H21 N N N 0 5.395 2.145 0.849
49 H24 H H24 N N N 0 4.572 0.135 2.829
50 H25 H H25 N N N 0 5.452 -2.141 3.124
51 H26 H H26 N N N 0 5.405 -3.743 1.261
52 H27 H H27 N N N 0 4.477 -3.089 -0.917
53 HO30 H HO30 N N N 0 3.011 -1.277 -3.444