Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : BES

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 46


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 N2 N N2 N N N 0 0.39 -1.321 -1.541
2 C1 C C1 R N N 0 0.736 0.088 -1.314
3 C6 C C6 N N N 0 1.302 0.687 -2.603
4 C7 C C7 N Y N 0 0.27 0.593 -3.697
5 C8 C C8 N Y N 0 -0.631 1.623 -3.887
6 C12 C C12 N Y N 0 0.229 -0.521 -4.513
7 C9 C C9 N Y N 0 -1.578 1.536 -4.891
8 C11 C C11 N Y N 0 -0.72 -0.61 -5.514
9 C10 C C10 N Y N 0 -1.622 0.419 -5.704
10 C2 C C2 S N N 0 1.783 0.184 -0.203
11 O2 O O2 N N N 0 2.955 -0.537 -0.59
12 C3 C C3 N N N 0 1.225 -0.406 1.065
13 O3 O O3 N N N 0 1.777 -1.351 1.587
14 N1 N N1 N N N 0 0.114 0.116 1.62
15 C4 C C4 S N N 0 -0.427 -0.457 2.854
16 C13 C C13 N N N 0 -1.133 0.636 3.658
17 C14 C C14 N N N 0 -0.131 1.739 4.006
18 C15 C C15 N N N 0 -0.836 2.832 4.811
19 C16 C C16 N N N 0 1.008 1.148 4.838
20 C5 C C5 N N N 0 -1.414 -1.544 2.511
21 O1 O O1 N N N 0 -2.12 -1.474 1.372
22 O4 O O4 N N N 0 -1.569 -2.478 3.262
23 HN21 H 1HN2 N N N 0 1.242 -1.789 -1.81
24 HN22 H 2HN2 N N N 0 0.121 -1.701 -0.645
25 H1 H H1 N N N 0 -0.157 0.638 -1.019
26 H61 H 1H6 N N N 0 1.558 1.733 -2.435
27 H62 H 2H6 N N N 0 2.196 0.137 -2.897
28 H8 H H8 N N N 0 -0.596 2.496 -3.252
29 H12 H H12 N N N 0 0.934 -1.325 -4.365
30 H9 H H9 N N N 0 -2.283 2.341 -5.039
31 H11 H H11 N N N 0 -0.755 -1.482 -6.149
32 H10 H H10 N N N 0 -2.362 0.351 -6.488
33 H2 H H2 N N N 0 2.04 1.23 -0.035
34 HO2 H HO2 N N N 0 2.685 -1.455 -0.728
35 HN H HN N N N 0 -0.326 0.872 1.202
36 H4 H H4 N N N 0 0.384 -0.878 3.446
37 H131 H 1H13 N N N 0 -1.536 0.208 4.576
38 H132 H 2H13 N N N 0 -1.945 1.056 3.066
39 H14 H H14 N N N 0 0.272 2.166 3.088
40 H151 H 1H15 N N N 0 -0.123 3.618 5.059
41 H152 H 2H15 N N N 0 -1.648 3.253 4.218
42 H153 H 3H15 N N N 0 -1.24 2.405 5.729
43 H161 H 1H16 N N N 0 0.605 0.721 5.756
44 H162 H 2H16 N N N 0 1.511 0.369 4.265
45 H163 H 3H16 N N N 0 1.722 1.934 5.086
46 HO1 H HO1 N N N 0 -2.753 -2.171 1.152