Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : BBH

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 50


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 0.316 -0.68 2.365
2 C2 C C2 N Y N 0 0.004 0.382 3.192
3 C3 C C3 N Y N 0 0.979 0.946 3.992
4 C4 C C4 N Y N 0 2.273 0.445 3.964
5 C5 C C5 N Y N 0 2.585 -0.617 3.129
6 C6 C C6 N Y N 0 1.604 -1.181 2.336
7 O7 O O7 N N N 0 3.234 0.997 4.75
8 C8 C C8 N N N 0 4.44 0.272 4.5
9 S9 S S9 N N N 0 -0.929 -1.396 1.346
10 O10 O O10 N N N 0 -0.481 -2.713 1.056
11 O11 O O11 N N N 0 -2.167 -1.065 1.96
12 N12 N N12 N N N 0 -0.913 -0.587 -0.098
13 C13 C C13 R N N 0 -1.847 0.519 -0.363
14 C14 C C14 N N N 0 -1.012 1.786 -0.602
15 C15 C C15 N N N 0 0.134 1.482 -1.522
16 N16 N N16 N N N 0 0.614 0.256 -1.735
17 C17 C C17 N N N 0 0.029 -0.953 -1.163
18 O18 O O18 N N N 0 0.655 2.407 -2.108
19 C C C N N N 0 -2.75 0.72 0.826
20 NA N NA N N N 0 -4.032 0.309 0.776
21 OA O OA N N N 0 -4.881 0.499 1.894
22 OB O OB N N N 0 -2.322 1.253 1.828
23 C7 C C7 N N N 0 1.795 0.115 -2.59
24 C9 C C9 N Y N 0 0.788 0.876 -6.149
25 C10 C C10 N Y N 0 1.187 1.04 -4.835
26 C11 C C11 N Y N 0 1.36 -0.063 -4.022
27 C12 C C12 N Y N 0 1.138 -1.332 -4.523
28 C16 C C16 N Y N 0 0.734 -1.497 -5.835
29 C18 C C18 N Y N 0 0.561 -0.392 -6.648
30 HC21 H 1HC2 N N N 0 -1.002 0.772 3.214
31 HC81 H 1HC8 N N N 0 5.244 0.682 5.111
32 HC31 H 1HC3 N N N 0 0.735 1.776 4.639
33 HC51 H 1HC5 N N N 0 3.591 -1.009 3.106
34 HC61 H 1HC6 N N N 0 1.845 -2.012 1.689
35 HC82 H 2HC8 N N N 0 4.291 -0.777 4.751
36 HC83 H 3HC8 N N N 0 4.704 0.36 3.446
37 H131 H 1H13 N N N 0 -2.446 0.299 -1.247
38 H141 H 1H14 N N N 0 -0.625 2.151 0.348
39 H142 H 2H14 N N N 0 -1.642 2.553 -1.052
40 H171 H 1H17 N N N 0 0.82 -1.578 -0.749
41 H172 H 2H17 N N N 0 -0.498 -1.504 -1.942
42 HNA H HNA N N N 0 -4.374 -0.116 -0.025
43 HOA H HOA N N N 0 -5.745 0.139 1.653
44 HC71 H 1HC7 N N N 0 2.412 1.01 -2.508
45 HC72 H 2HC7 N N N 0 2.371 -0.753 -2.274
46 HC91 H 1HC9 N N N 0 0.653 1.738 -6.784
47 H101 H 1H10 N N N 0 1.365 2.031 -4.445
48 H121 H 1H12 N N N 0 1.273 -2.195 -3.887
49 H161 H 1H16 N N N 0 0.557 -2.488 -6.225
50 H181 H 1H18 N N N 0 0.249 -0.521 -7.674