Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : TH9

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 CAA C CAA N N N 0 10.8 2.942 -0.376
2 OAB O OAB N N N 0 -7.596 2.497 1.546
3 OAC O OAC N N N 0 -5.318 -0.822 -1.3
4 OAD O OAD N N N 0 -9.287 1.946 0.22
5 OAE O OAE N N N 0 -7.552 0.149 -1.114
6 CAF C CAF N N N 0 -5.81 0.777 0.32
7 CAG C CAG N Y N 0 2.532 -2.83 1.533
8 CAH C CAH N Y N 0 1.28 -2.884 0.95
9 CAI C CAI N Y N 0 3.476 -1.936 1.064
10 CAJ C CAJ N Y N 0 1.907 -1.148 -0.575
11 CAK C CAK N N N 0 9.897 1.893 0.277
12 CAL C CAL N N N 0 8.534 1.891 -0.417
13 CAM C CAM N N N 0 7.631 0.842 0.236
14 CAN C CAN N N N 0 6.267 0.84 -0.459
15 CAO C CAO N N N 0 -1.338 -1.135 -0.017
16 CAP C CAP N N N 0 -2.725 -1.198 -0.66
17 CAQ C CAQ N N N 0 5.365 -0.209 0.194
18 CAR C CAR N N N 0 -0.398 -2.105 -0.736
19 NAS N NAS N N N 0 -3.625 -0.269 0.028
20 OAT O OAT N N N 0 4.091 -0.212 -0.454
21 CAU C CAU N N N 0 -8.005 1.831 0.617
22 CAV C CAV N N N 0 -4.908 -0.154 -0.37
23 CAW C CAW N N N 0 -7.095 0.892 -0.079
24 CAX C CAX N Y N 0 0.968 -2.043 -0.103
25 CAY C CAY N Y N 0 3.165 -1.092 0.008
26 H1 H H1 N N N 0 11.771 2.944 0.118
27 H2 H H2 N N N 0 10.93 2.703 -1.432
28 H3 H H3 N N N 0 10.342 3.926 -0.28
29 H4 H H4 N N N 0 -9.843 2.571 0.705
30 H5 H H5 N N N 0 -8.483 0.3 -1.325
31 H6 H H6 N N N 0 -5.445 1.369 1.146
32 H7 H H7 N N N 0 2.772 -3.485 2.358
33 H8 H H8 N N N 0 0.544 -3.584 1.318
34 H9 H H9 N N N 0 4.454 -1.894 1.52
35 H10 H H10 N N N 0 1.663 -0.491 -1.397
36 H11 H H11 N N N 0 10.356 0.909 0.181
37 H12 H H12 N N N 0 9.767 2.133 1.332
38 H13 H H13 N N N 0 8.075 2.875 -0.322
39 H14 H H14 N N N 0 8.664 1.652 -1.473
40 H15 H H15 N N N 0 8.089 -0.142 0.14
41 H16 H H16 N N N 0 7.501 1.081 1.291
42 H17 H H17 N N N 0 5.809 1.824 -0.363
43 H18 H H18 N N N 0 6.398 0.6 -1.514
44 H19 H H19 N N N 0 -0.946 -0.122 -0.098
45 H20 H H20 N N N 0 -1.412 -1.413 1.034
46 H21 H H21 N N N 0 -2.651 -0.92 -1.712
47 H22 H H22 N N N 0 -3.118 -2.211 -0.579
48 H23 H H23 N N N 0 5.823 -1.193 0.099
49 H24 H H24 N N N 0 5.235 0.03 1.25
50 H25 H H25 N N N 0 -0.791 -3.119 -0.655
51 H26 H H26 N N N 0 -0.324 -1.827 -1.787
52 H27 H H27 N N N 0 -3.298 0.263 0.77