Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : CDI

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 28


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C4 C C4 N N N 0 -0.474 -0.373 -3.149
2 C3 C C3 S N N 0 -0.176 0.115 -1.708
3 OB4 O OB4 N N N 0 1.06 -0.511 -1.316
4 PB P PB S N N 0 1.4 -0.203 0.22
5 OB2 O OB2 N N N 0 2.917 -0.697 0.505
6 OB3 O OB3 N N N 0 1.303 1.22 0.555
7 PA P PA R N N 0 -0.445 -0.024 2.011
8 OA3 O OA3 N N N 0 -0.891 1.179 1.041
9 OA1 O OA1 N N N 0 -1.745 -0.749 2.624
10 OA2 O OA2 N N N 0 0.385 0.509 3.117
11 C1 C C1 N N N 0 -1.855 0.694 0.127
12 C2 C C2 R N N 0 -1.318 -0.374 -0.818
13 O1 O O1 N N N 0 -2.397 -0.818 -1.664
14 C5 C C5 N N N 0 -0.062 1.63 -1.762
15 O2 O O2 N N N 0 0.592 0.019 -4.015
16 OB1 O OB1 N N N 0 0.415 -1.085 1.158
17 HC41 H 1HC4 N N N 0 -0.564 -1.459 -3.153
18 HC42 H 2HC4 N N N 0 -1.407 0.069 -3.497
19 HB2O H OHB2 N N N 0 3.103 -0.504 1.434
20 HA1O H OHA1 N N N 0 -1.426 -1.464 3.191
21 HC11 H 1HC1 N N N 0 -2.687 0.258 0.703
22 HC12 H 2HC1 N N N 0 -2.285 1.523 -0.438
23 HC2 H HC2 N N N 0 -0.989 -1.247 -0.244
24 HO1 H HO1 N N N 0 -3.08 -1.177 -1.081
25 HC51 H 1HC5 N N N 0 0.747 1.909 -2.437
26 HC52 H 2HC5 N N N 0 -0.999 2.052 -2.125
27 HC53 H 3HC5 N N N 0 0.147 2.015 -0.764
28 HO2 H HO2 N N N 0 0.367 -0.303 -4.898