Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : B8I

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 70


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N N N 0 -4.569 5.393 -1.111
2 C2 C C2 N Y N 0 -5.564 -2.921 -0.093
3 C3 C C3 N Y N 0 -4.351 -4.792 -0.036
4 C7 C C4 N Y N 0 -2.004 0.702 0.379
5 C8 C C5 N Y N 0 -3.141 -1.309 0.199
6 C9 C C6 N N N 0 -5.69 1.314 0.036
7 C10 C C7 N N N 0 -5.703 2.658 0.08
8 C11 C C8 N N N 0 -3.346 2.828 0.319
9 C12 C C9 N N N 0 8.599 -0.653 -0.439
10 C13 C C10 N N N 0 2.792 0.788 1.478
11 C14 C C11 N N N 0 2.299 -0.381 -0.674
12 C15 C C12 N N N 0 1.465 1.541 1.373
13 C16 C C13 N N N 0 0.972 0.372 -0.779
14 C19 C C14 N N N 0 5.564 0.513 0.977
15 C20 C C15 N N N 0 5.127 -0.554 -1.157
16 C21 C C16 N N N 0 3.318 0.481 0.074
17 C22 C C17 N N N 0 0.447 0.679 0.625
18 C24 C C18 N N N 0 10.832 0.081 -0.024
19 N26 N N1 N N N 0 -4.49 5.807 -2.166
20 N29 N N2 N Y N 0 -2.01 -0.627 0.333
21 C4 C C19 N Y N 0 -3.235 1.375 0.28
22 C5 C C20 N Y N 0 -4.265 -3.438 0.018
23 C6 C C21 N Y N 0 -4.417 0.607 0.138
24 C17 C C22 N N N 0 6.809 -0.349 1.21
25 C18 C C23 N N N 0 6.355 -1.461 -1.011
26 C23 C C24 N N N 0 -6.214 -6.469 -0.274
27 C25 C C25 N N N 0 -4.67 4.857 0.256
28 N27 N N3 N Y N 0 -6.398 -3.922 -0.208
29 N28 N N4 N Y N 0 -4.325 -0.719 0.103
30 N30 N N5 N Y N 0 -5.664 -5.114 -0.175
31 N31 N N6 N N N 0 -4.565 3.396 0.217
32 N32 N N7 N N N 0 7.306 -0.815 -0.094
33 N33 N N8 N N N 0 4.592 -0.242 0.175
34 N34 N N9 N N N 0 -3.083 -2.688 0.159
35 N35 N N10 N N N 0 -0.824 1.4 0.524
36 O36 O O1 N N N 0 -2.351 3.52 0.44
37 O37 O O2 N N N 0 8.992 -1.043 -1.521
38 O38 O O3 N N N 0 9.455 -0.06 0.414
39 H1 H H1 N N N 0 -5.831 -1.874 -0.08
40 H2 H H2 N N N 0 -3.526 -5.487 0.022
41 H3 H H3 N N N 0 -6.613 0.762 -0.073
42 H4 H H4 N N N 0 -6.65 3.172 0.004
43 H5 H H5 N N N 0 3.518 1.402 2.011
44 H6 H H6 N N N 0 2.638 -0.145 2.02
45 H7 H H7 N N N 0 2.145 -1.314 -0.132
46 H8 H H8 N N N 0 2.673 -0.6 -1.674
47 H9 H H9 N N N 0 1.091 1.76 2.373
48 H10 H H10 N N N 0 1.619 2.474 0.831
49 H11 H H11 N N N 0 1.126 1.305 -1.321
50 H12 H H12 N N N 0 0.247 -0.242 -1.312
51 H13 H H13 N N N 0 5.119 0.775 1.936
52 H14 H H14 N N N 0 5.846 1.422 0.446
53 H15 H H15 N N N 0 5.415 0.37 -1.658
54 H16 H H16 N N N 0 4.365 -1.065 -1.745
55 H17 H H17 N N N 0 3.471 1.414 -0.468
56 H18 H H18 N N N 0 0.293 -0.254 1.167
57 H19 H H19 N N N 0 11.252 -0.905 -0.222
58 H20 H H20 N N N 0 10.864 0.679 -0.935
59 H21 H H21 N N N 0 11.413 0.574 0.755
60 H22 H H22 N N N 0 7.578 0.244 1.704
61 H23 H H23 N N N 0 6.55 -1.205 1.833
62 H24 H H24 N N N 0 6.051 -2.425 -0.604
63 H25 H H25 N N N 0 6.824 -1.602 -1.985
64 H26 H H26 N N N 0 -6.249 -6.771 -1.321
65 H27 H H27 N N N 0 -5.58 -7.159 0.282
66 H28 H H28 N N N 0 -7.221 -6.483 0.143
67 H29 H H29 N N N 0 -3.864 5.263 0.867
68 H30 H H30 N N N 0 -5.63 5.141 0.688
69 H33 H H33 N N N 0 -0.836 2.369 0.559
70 H32 H H32 N N N 0 -2.227 -3.139 0.227