Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : BH9

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 48


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 N1 N N1 N Y N 0 8.229 -1.193 -0.645
2 C2 C C2 N Y N 0 7.206 -0.391 -1.006
3 C4 C C4 N Y N 0 6.759 -1.307 0.984
4 N5 N N5 N Y N 0 7.926 -1.754 0.601
5 C6 C C6 N Y N 0 4.98 0.292 0.013
6 C7 C C7 N Y N 0 3.808 -0.399 -0.018
7 N8 N N8 N Y N 0 2.615 0.261 0.011
8 C9 C C9 N Y N 0 2.577 1.629 0.072
9 C10 C C10 N Y N 0 3.78 2.363 0.105
10 C11 C C11 N Y N 0 4.967 1.703 0.076
11 C12 C C12 N Y N 0 1.316 -0.177 -0.009
12 C13 C C13 N Y N 0 0.523 0.923 0.04
13 C14 C C14 N Y N 0 6.273 -0.439 -0.013
14 N14 N N14 N Y N 0 1.305 2.007 0.089
15 N15 N N15 N N N 0 -0.878 0.923 0.04
16 C16 C C16 N N N 0 -1.552 -0.243 -0.013
17 C17 C C17 N Y N 0 -3.03 -0.243 -0.014
18 C18 C C18 N Y N 0 -3.731 0.964 0.034
19 C19 C C19 N Y N 0 -5.111 0.957 0.032
20 C20 C C20 N Y N 0 -5.8 -0.242 -0.016
21 C21 C C21 N Y N 0 -5.111 -1.441 -0.064
22 C22 C C22 N Y N 0 -3.732 -1.449 -0.068
23 C27 C C27 N N N 0 -7.307 -0.242 -0.017
24 C28 C C28 N N N 0 -7.817 -1.684 -0.075
25 C32 C C32 N N N 0 -7.817 0.428 1.26
26 C36 C C36 N N N 0 -7.816 0.529 -1.237
27 O47 O O47 N N N 0 -0.945 -1.295 -0.06
28 H2 H H2 N N N 0 7.139 0.186 -1.917
29 H4 H H4 N N N 0 6.254 -1.56 1.905
30 H7 H H7 N N N 0 3.823 -1.478 -0.066
31 H10 H H10 N N N 0 3.758 3.442 0.153
32 H11 H H11 N N N 0 5.896 2.254 0.101
33 H12 H H12 N N N 0 0.987 -1.205 -0.055
34 HN15 H HN15 N N N 0 -1.363 1.763 0.077
35 H18 H H18 N N N 0 -3.195 1.9 0.072
36 H19 H H19 N N N 0 -5.655 1.889 0.07
37 H21 H H21 N N N 0 -5.655 -2.374 -0.102
38 H22 H H22 N N N 0 -3.195 -2.385 -0.109
39 H28 H H28 N N N 0 -7.454 -2.233 0.793
40 H28A H H28A N N N 0 -8.907 -1.684 -0.076
41 H28B H H28B N N N 0 -7.453 -2.161 -0.985
42 H32 H H32 N N N 0 -7.454 1.455 1.301
43 H32A H H32A N N N 0 -8.907 0.428 1.259
44 H32B H H32B N N N 0 -7.455 -0.121 2.129
45 H36 H H36 N N N 0 -7.452 0.051 -2.146
46 H36A H H36A N N N 0 -8.906 0.529 -1.237
47 H36B H H36B N N N 0 -7.453 1.556 -1.195
48 HN1 H HN1 N N N 0 9.033 -1.357 -1.162