Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : B9K

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 C17 C C1 N Y N 0 -2.401 -0.315 0.351
2 C20 C C2 N Y N 0 -4.102 1.718 -0.464
3 C21 C C3 N Y N 0 -2.747 1.959 -0.352
4 C24 C C4 N N N 0 -8.248 0.883 0.343
5 C26 C C5 N N N 0 -7.8 -1.419 -0.142
6 C01 C C6 N Y N 0 2.163 -1.735 -0.925
7 C02 C C7 N Y N 0 0.807 -1.857 -1.126
8 N03 N N1 N Y N 0 -0.025 -0.9 -0.758
9 C04 C C8 N Y N 0 0.399 0.216 -0.182
10 C05 C C9 N Y N 0 1.75 0.42 0.058
11 C06 C C10 N Y N 0 2.661 -0.572 -0.318
12 C07 C C11 N Y N 0 4.108 -0.403 -0.078
13 N08 N N2 N Y N 0 4.862 0.732 -0.329
14 C09 C C12 N Y N 0 6.14 0.446 0.039
15 N10 N N3 N Y N 0 6.182 -0.788 0.492
16 C11 C C13 N Y N 0 4.96 -1.328 0.439
17 C12 C C14 N N N 0 4.591 -2.723 0.874
18 S13 S S1 N N N 0 7.512 1.546 -0.072
19 C14 C C15 N N N 0 8.822 0.484 0.584
20 N15 N N4 N N N 0 -0.52 1.192 0.186
21 C16 C C16 N Y N 0 -1.893 0.945 0.061
22 C18 C C17 N Y N 0 -3.754 -0.559 0.228
23 C19 C C18 N Y N 0 -4.609 0.457 -0.18
24 N22 N N5 N N N 0 -5.982 0.213 -0.293
25 C23 C C19 N N N 0 -6.753 1.145 0.542
26 O25 O O1 N N N 0 -8.533 -0.484 0.653
27 C27 C C20 N N N 0 -6.3 -1.18 0.052
28 H1 H H1 N N N 0 -1.736 -1.105 0.668
29 H2 H H2 N N N 0 -4.766 2.509 -0.78
30 H3 H H3 N N N 0 -2.353 2.94 -0.573
31 H4 H H4 N N N 0 -8.823 1.533 1.003
32 H5 H H5 N N N 0 -8.519 1.085 -0.693
33 H6 H H6 N N N 0 -8.05 -2.434 0.168
34 H7 H H7 N N N 0 -8.057 -1.285 -1.192
35 H8 H H8 N N N 0 2.834 -2.526 -1.226
36 H9 H H9 N N N 0 0.417 -2.75 -1.593
37 H10 H H10 N N N 0 2.093 1.33 0.528
38 H11 H H11 N N N 0 4.54 1.569 -0.698
39 H13 H H13 N N N 0 4.699 -3.407 0.032
40 H14 H H14 N N N 0 5.249 -3.037 1.684
41 H15 H H15 N N N 0 3.557 -2.734 1.22
42 H16 H H16 N N N 0 8.573 0.188 1.603
43 H17 H H17 N N N 0 8.915 -0.405 -0.041
44 H18 H H18 N N N 0 9.766 1.028 0.583
45 H19 H H19 N N N 0 -0.211 2.045 0.53
46 H20 H H20 N N N 0 -4.148 -1.54 0.448
47 H21 H H21 N N N 0 -6.522 2.17 0.252
48 H22 H H22 N N N 0 -6.494 0.996 1.59
49 H23 H H23 N N N 0 -6.033 -1.367 1.093
50 H24 H H24 N N N 0 -5.737 -1.853 -0.595