Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : JXH

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 29


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C2 C C1 N Y N 0 0.184 -0.905 -0.011
2 C3 C C2 N Y N 0 2.26 -0.275 -0.007
3 C4 C C3 N Y N 0 3.657 -0.127 -0.022
4 C5 C C4 N Y N 0 3.381 2.161 0.11
5 C6 C C5 R N N 0 -1.025 1.305 0.139
6 C7 C C6 N N N 0 -1.683 1.378 -1.242
7 C10 C C7 N N N 0 -3.143 1.52 1.243
8 C1 C C8 N Y N 0 1.47 0.885 0.07
9 C8 C C9 N N N 0 -2.96 2.218 -1.146
10 C9 C C10 N N N 0 -3.886 1.602 -0.093
11 N1 N N1 N Y N 0 0.166 0.456 0.068
12 N2 N N2 N Y N 0 2.068 2.07 0.126
13 N3 N N3 N Y N 0 1.413 -1.332 -0.052
14 N4 N N4 N Y N 0 4.164 1.1 0.038
15 N5 N N5 N N N 0 4.486 -1.233 -0.097
16 O1 O O1 N N N 0 -1.95 0.752 1.077
17 BR1 BR BR1 N N N 0 -1.351 -2.01 -0.049
18 H1 H H1 N N N 0 3.835 3.14 0.156
19 H2 H H2 N N N 0 -0.739 2.307 0.458
20 H3 H H3 N N N 0 -0.995 1.841 -1.949
21 H4 H H4 N N N 0 -1.933 0.373 -1.58
22 H5 H H5 N N N 0 -2.885 2.525 1.577
23 H6 H H6 N N N 0 -3.783 1.044 1.986
24 H7 H H7 N N N 0 -2.706 3.238 -0.856
25 H8 H H8 N N N 0 -3.464 2.228 -2.113
26 H9 H H9 N N N 0 -4.181 0.601 -0.408
27 H10 H H10 N N N 0 -4.774 2.225 0.021
28 H12 H H12 N N N 0 4.103 -2.123 -0.14
29 H11 H H11 N N N 0 5.449 -1.117 -0.106