Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : ATE

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 50


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 O1 O O1 N N N 0 4.349 -0.08 1.407
2 C3 C C3 R N N 0 4.207 0.035 -0.01
3 C2 C C2 N N N 0 3.559 1.379 -0.35
4 C1 C C1 N N N 0 2.18 1.46 0.308
5 C4 C C4 N N N 0 3.326 -1.103 -0.529
6 C5 C C5 S N N 0 1.947 -1.02 0.129
7 C6 C C6 N N N 0 1.069 -2.161 -0.39
8 C10 C C10 S N N 0 1.295 0.307 -0.219
9 C19 C C19 N N N 0 1.151 0.429 -1.737
10 C9 C C9 S N N 0 -0.081 0.405 0.441
11 C11 C C11 N N N 0 -0.689 1.777 0.173
12 C8 C C8 S N N 0 -0.96 -0.733 -0.103
13 C7 C C7 N N N 0 -0.317 -2.074 0.254
14 C14 C C14 S N N 0 -2.322 -0.588 0.583
15 C15 C C15 N N N 0 -3.438 -1.526 0.1
16 C13 C C13 R N N 0 -2.914 0.756 0.061
17 C12 C C12 N N N 0 -2.131 1.873 0.706
18 C18 C C18 N N N 0 -2.728 0.824 -1.456
19 C17 C C17 N N N 0 -4.365 0.603 0.367
20 C16 C C16 N N N 0 -4.687 -0.687 0.367
21 HO1 H HO1 N N N 0 4.909 0.654 1.693
22 H3 H H3 N N N 0 5.19 -0.023 -0.479
23 H12 H 2H1 N N N 0 1.718 2.417 0.066
24 H21 H 1H2 N N N 0 4.187 2.189 0.021
25 H22 H 2H2 N N N 0 3.452 1.468 -1.431
26 H11 H 1H1 N N N 0 2.288 1.371 1.389
27 H41 H 1H4 N N N 0 3.788 -2.06 -0.287
28 H42 H 2H4 N N N 0 3.219 -1.015 -1.611
29 H5 H H5 N N N 0 2.055 -1.107 1.21
30 H61 H 1H6 N N N 0 1.528 -3.116 -0.137
31 H62 H 2H6 N N N 0 0.971 -2.08 -1.472
32 H191 H 1H19 N N N 0 2.136 0.372 -2.201
33 H192 H 2H19 N N N 0 0.527 -0.384 -2.109
34 H193 H 3H19 N N N 0 0.688 1.384 -1.983
35 H9 H H9 N N N 0 0.035 0.276 1.517
36 H111 H 1H11 N N N 0 -0.694 1.959 -0.902
37 H112 H 2H11 N N N 0 -0.079 2.538 0.659
38 H8 H H8 N N N 0 -1.056 -0.644 -1.185
39 H71 H 1H7 N N N 0 -0.22 -2.154 1.337
40 H72 H 2H7 N N N 0 -0.941 -2.887 -0.116
41 H14 H H14 N N N 0 -2.225 -0.608 1.668
42 H151 H 1H15 N N N 0 -3.333 -1.742 -0.964
43 H152 H 2H15 N N N 0 -3.454 -2.447 0.683
44 H121 H 1H12 N N N 0 -2.564 2.836 0.435
45 H122 H 2H12 N N N 0 -2.135 1.754 1.789
46 H181 H 1H18 N N N 0 -1.663 0.828 -1.691
47 H182 H 2H18 N N N 0 -3.199 -0.042 -1.92
48 H183 H 3H18 N N N 0 -3.188 1.736 -1.838
49 H17 H H17 N N N 0 -5.046 1.42 0.551
50 H16 H H16 N N N 0 -5.676 -1.086 0.538