Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : BUP

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 44


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 BR BR BR N N N 0 -6.736 -2.422 -0.709
2 C1 C C1 N N N 0 -5.478 -1.266 0.099
3 N1 N N1 N N N 0 -4.453 -0.376 2.063
4 O1 O O1 N N N 0 -6.072 -1.898 2.216
5 P1 P P1 N N N 0 2.653 1.418 0.807
6 C2 C C2 N N N 0 -4.681 -0.483 -0.66
7 N2 N N2 N N N 0 -3.776 0.349 -0.058
8 O2 O O2 N N N 0 -2.858 1.136 1.797
9 P2 P P2 N N N 0 5.111 -0.229 0.632
10 C3 C C3 N N N 0 -3.672 0.394 1.283
11 O3 O O3 N N N 0 -1.524 1.0 -0.534
12 P3 P P3 N N N 0 7.003 -1.872 -0.951
13 C4 C C4 N N N 0 -5.361 -1.205 1.51
14 O4 O O4 N N N 0 -4.235 3.215 -1.337
15 C5 C C5 S N N 0 -1.811 3.339 -0.986
16 O5 O O5 N N N 0 -1.915 3.894 -2.299
17 C6 C C6 R N N 0 -3.153 2.696 -0.561
18 O6 O O6 N N N 0 1.309 1.426 -0.078
19 C7 C C7 R N N 0 -2.911 1.198 -0.881
20 O7 O O7 N N N 0 3.571 0.167 0.378
21 C8 C C8 R N N 0 -0.81 2.167 -0.975
22 O8 O O8 N N N 0 2.269 1.293 2.365
23 C9 C C9 N N N 0 0.336 2.471 -0.008
24 O9 O O9 N N N 0 3.399 2.677 0.583
25 O10 O O10 N N N 0 5.573 -1.314 -0.464
26 O11 O O11 N N N 0 5.267 -0.857 2.107
27 O12 O O12 N N N 0 5.957 0.979 0.518
28 O13 O O13 N N N 0 7.533 -2.975 0.095
29 O14 O O14 N N N 0 6.849 -2.543 -2.407
30 O15 O O15 N N N 0 7.97 -0.755 -1.023
31 HN1 H HN1 N N N 0 -4.365 -0.331 3.028
32 H2 H H2 N N N 0 -4.758 -0.513 -1.737
33 HO4 H HO4 N N N 0 -4.368 4.167 -1.24
34 H5 H H5 N N N 0 -1.512 4.105 -0.271
35 HO5 H HO5 N N N 0 -2.574 4.598 -2.377
36 H6 H H6 N N N 0 -3.335 2.842 0.503
37 H7 H H7 N N N 0 -3.075 0.998 -1.94
38 H9 H H9 N N N 0 -0.053 2.537 1.008
39 H8 H H8 N N N 0 -0.418 2.004 -1.979
40 HO8 H HO8 N N N 0 1.778 0.489 2.586
41 H9A H H9A N N N 0 0.801 3.418 -0.282
42 HO11 H HO11 N N N 0 4.739 -1.653 2.253
43 HO13 H HO13 N N N 0 6.947 -3.738 0.193
44 HO14 H HO14 N N N 0 7.673 -2.902 -2.763