Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

PDBeChem : Atoms of Molecule

 Molecule : H9B

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 52


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C5 C C1 N Y N 0 -1.941 1.891 0.07
2 C6 C C2 N Y N 0 -1.364 1.464 -1.113
3 C7 C C3 N Y N 0 -0.037 1.088 -1.14
4 C8 C C4 N Y N 0 0.723 1.137 0.027
5 C10 C C5 N Y N 0 -1.189 1.947 1.23
6 C15 C C6 N N N 0 -4.149 -3.184 -0.038
7 C17 C C7 N Y N 0 2.151 0.734 0.004
8 C20 C C8 N Y N 0 4.815 -0.018 -0.04
9 C21 C C9 N Y N 0 4.067 -0.064 -1.203
10 C22 C C10 N Y N 0 2.738 0.31 -1.187
11 F28 F F1 N N N 0 6.369 -1.795 0.207
12 C25 C C11 N N N 0 6.265 -0.426 -0.064
13 F26 F F2 N N N 0 6.804 -0.159 -1.327
14 F27 F F3 N N N 0 6.969 0.296 0.906
15 C19 C C12 N Y N 0 4.238 0.408 1.143
16 C18 C C13 N Y N 0 2.911 0.784 1.17
17 C9 C C14 N Y N 0 0.137 1.568 1.216
18 C2 C C15 R N N 0 -3.391 2.301 0.094
19 C3 C C16 N N N 0 -4.115 2.411 -1.249
20 C1 C C17 R N N 0 -4.429 1.25 -0.303
21 C23 C C18 N N N 0 -5.774 1.275 0.425
22 N24 N N1 N N N 0 -6.63 0.198 -0.091
23 N4 N N2 N N N 0 -3.937 -0.079 -0.678
24 C11 C C19 N N N 0 -3.336 -0.859 0.242
25 O13 O O1 N N N 0 -3.122 -0.428 1.356
26 C12 C C20 S N N 0 -2.928 -2.265 -0.113
27 N14 N N3 N N N 0 -1.905 -2.732 0.833
28 C16 C C21 N N N 0 -3.763 -4.585 -0.518
29 H1 H H1 N N N 0 -1.954 1.426 -2.016
30 H2 H H2 N N N 0 0.412 0.755 -2.064
31 H3 H H3 N N N 0 -1.643 2.286 2.15
32 H4 H H4 N N N 0 -4.501 -3.238 0.992
33 H5 H H5 N N N 0 -4.941 -2.788 -0.673
34 H6 H H6 N N N 0 4.523 -0.393 -2.125
35 H7 H H7 N N N 0 2.155 0.273 -2.095
36 H8 H H8 N N N 0 4.827 0.442 2.048
37 H9 H H9 N N N 0 2.462 1.116 2.095
38 H10 H H10 N N N 0 0.722 1.608 2.123
39 H11 H H11 N N N 0 -3.666 3.011 0.874
40 H12 H H12 N N N 0 -4.868 3.193 -1.352
41 H13 H H13 N N N 0 -3.544 2.187 -2.149
42 H14 H H14 N N N 0 -5.612 1.129 1.493
43 H15 H H15 N N N 0 -6.259 2.236 0.259
44 H16 H H16 N N N 0 -6.211 -0.705 0.068
45 H17 H H17 N N N 0 -7.553 0.245 0.314
46 H19 H H19 N N N 0 -4.044 -0.397 -1.588
47 H20 H H20 N N N 0 -2.522 -2.282 -1.124
48 H21 H H21 N N N 0 -2.257 -2.726 1.778
49 H22 H H22 N N N 0 -1.568 -3.648 0.578
50 H24 H H24 N N N 0 -2.97 -4.981 0.117
51 H25 H H25 N N N 0 -4.633 -5.24 -0.464
52 H26 H H26 N N N 0 -3.411 -4.532 -1.548