Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : TDI

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 39


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C2 C C2 N Y N 0 3.569 1.913 0.421
2 C4 C C4 N Y N 0 2.493 -0.12 0.387
3 C5 C C5 N Y N 0 3.637 -0.705 -0.184
4 C6 C C6 N Y N 0 4.742 0.116 -0.436
5 CS5 C CS5 N N N 0 -6.572 -0.838 -1.052
6 S S S N N N 0 -5.328 -0.628 0.251
7 C5' C C5* N N N 0 -4.078 0.322 -0.657
8 C4' C C4* S N N 0 -2.897 0.626 0.267
9 C1' C C1* N N N 0 -2.145 -0.672 0.617
10 N1' N N1* N N N 0 -0.771 -0.534 0.086
11 C10 C C10 N N N 0 0.133 -1.081 1.107
12 C9 C C9 N Y N 0 1.522 -1.199 0.536
13 C8 C C8 N Y N 0 2.101 -2.318 0.061
14 N7 N N7 N Y N 0 3.364 -2.04 -0.372
15 N6 N N6 N N N 0 5.894 -0.403 -1.003
16 N1 N N1 N Y N 0 4.662 1.405 -0.12
17 N3 N N3 N Y N 0 2.506 1.184 0.678
18 C2' C C2* N N N 0 -0.507 0.926 0.021
19 C3' C C3* R N N 0 -1.86 1.512 -0.46
20 O3' O O3* N N N 0 -1.988 2.88 -0.065
21 H2 H H2 N N N 0 3.549 2.966 0.662
22 HS51 H 1HS5 N N N 0 -6.131 -1.375 -1.892
23 HS52 H 2HS5 N N N 0 -7.416 -1.405 -0.661
24 HS53 H 3HS5 N N N 0 -6.916 0.141 -1.387
25 H5'1 H 1H5* N N N 0 -3.73 -0.258 -1.512
26 H5'2 H 2H5* N N N 0 -4.515 1.258 -1.007
27 H4' H H4* N N N 0 -3.245 1.118 1.175
28 H1'1 H 1H1* N N N 0 -2.113 -0.803 1.699
29 H1'2 H 2H1* N N N 0 -2.639 -1.524 0.151
30 H101 H 1H10 N N N 0 0.15 -0.417 1.971
31 H102 H 2H10 N N N 0 -0.219 -2.067 1.412
32 H8 H H8 N N N 0 1.634 -3.292 0.029
33 HN7 H HN7 N N N 0 3.977 -2.686 -0.756
34 HN61 H 1HN6 N N N 0 5.941 -1.345 -1.23
35 HN62 H 2HN6 N N N 0 6.654 0.175 -1.173
36 H2'1 H 1H2* N N N 0 -0.25 1.315 1.006
37 H2'2 H 2H2* N N N 0 0.284 1.143 -0.697
38 H3' H H3* N N N 0 -1.96 1.414 -1.541
39 H1 H H1 N N N 0 -1.267 3.362 -0.491