Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : IPE

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 26


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 2.133 -0.035 -0.129
2 O1 O O1 N N N 0 1.008 -0.127 -1.006
3 C2 C C2 N N N 0 3.417 -0.301 -0.917
4 C3 C C3 N N N 0 4.603 -0.203 0.007
5 C4 C C4 N N N 0 5.091 -1.284 0.563
6 C5 C C5 N N N 0 5.228 1.139 0.292
7 PA P PA R N N 0 -0.301 0.162 -0.115
8 O1A O O1A N N N 0 -0.33 -0.767 1.037
9 O2A O O2A N N N 0 -0.261 1.68 0.421
10 O3A O O3A N N N 0 -1.62 -0.055 -1.012
11 PB P PB N N N 0 -2.865 -0.147 0.004
12 O1B O O1B N N N 0 -3.299 1.336 0.457
13 O2B O O2B N N N 0 -2.472 -0.931 1.196
14 O3B O O3B N N N 0 -4.104 -0.868 -0.728
15 H11 H 1H1 N N N 0 2.035 -0.773 0.667
16 H12 H 2H1 N N N 0 2.174 0.964 0.305
17 H21 H 1H2 N N N 0 3.515 0.438 -1.713
18 H22 H 2H2 N N N 0 3.376 -1.299 -1.352
19 H41 H 1H4 N N N 0 5.942 -1.214 1.225
20 H42 H 2H4 N N N 0 4.644 -2.245 0.358
21 H51 H 1H5 N N N 0 6.066 1.011 0.977
22 H52 H 2H5 N N N 0 5.583 1.58 -0.639
23 H53 H 3H5 N N N 0 4.486 1.796 0.746
24 H2A H H2A N N N 0 -0.243 2.251 -0.358
25 H1B H H1B N N N 0 -3.547 1.813 -0.347
26 H3B H H3B N N N 0 -4.827 -0.903 -0.087