Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : BSM

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 45


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C22 C C22 N N N 0 -5.376 1.262 0.082
2 O21 O O21 N N N 0 -5.021 0.053 0.756
3 C18 C C18 N Y N 0 -3.663 0.016 0.805
4 C19 C C19 N Y N 0 -3.022 -1.056 1.41
5 C20 C C20 N Y N 0 -1.644 -1.098 1.462
6 C17 C C17 N Y N 0 -2.921 1.051 0.253
7 C16 C C16 N Y N 0 -1.543 1.018 0.306
8 C7 C C7 N Y N 0 -0.895 -0.06 0.907
9 C3 C C3 N Y N 0 0.583 -0.1 0.962
10 C2 C C2 N Y N 0 1.411 0.0 2.114
11 C8 C C8 N N N 0 0.954 0.16 3.508
12 O9 O O9 N N N 0 -0.234 0.224 3.755
13 N10 N N10 N N N 0 1.854 0.236 4.508
14 C26 C C26 N N N 0 1.401 0.396 5.892
15 C27 C C27 N N N 0 2.614 0.454 6.823
16 N1 N N1 N Y N 0 2.66 -0.084 1.707
17 N5 N N5 N Y N 0 2.721 -0.22 0.432
18 C4 C C4 N Y N 0 1.467 -0.235 -0.102
19 C6 C C6 N Y N 0 1.116 -0.373 -1.53
20 C11 C C11 N Y N 0 1.463 0.629 -2.437
21 C12 C C12 N Y N 0 1.134 0.496 -3.769
22 CL25 CL CL25 N N N 0 1.567 1.743 -4.897
23 C13 C C13 N Y N 0 0.457 -0.634 -4.213
24 O24 O O24 N N N 0 0.136 -0.759 -5.527
25 C14 C C14 N Y N 0 0.109 -1.635 -3.318
26 C15 C C15 N Y N 0 0.439 -1.514 -1.98
27 O23 O O23 N N N 0 0.099 -2.494 -1.103
28 H221 H 1H22 N N N 0 -6.461 1.337 0.018
29 H222 H 2H22 N N N 0 -4.985 2.115 0.638
30 H223 H 3H22 N N N 0 -4.952 1.258 -0.921
31 H19 H H19 N N N 0 -3.602 -1.86 1.839
32 H20 H H20 N N N 0 -1.146 -1.933 1.932
33 H17 H H17 N N N 0 -3.423 1.884 -0.216
34 H16 H H16 N N N 0 -0.967 1.824 -0.124
35 H10 H H10 N N N 0 2.803 0.184 4.311
36 H261 H 1H26 N N N 0 0.771 -0.449 6.168
37 H262 H 2H26 N N N 0 0.829 1.319 5.982
38 H271 H 1H27 N N N 0 2.276 0.573 7.852
39 H272 H 2H27 N N N 0 3.186 -0.469 6.732
40 H273 H 3H27 N N N 0 3.243 1.3 6.547
41 H5 H H5 N N N 0 3.542 -0.301 -0.077
42 H11 H H11 N N N 0 1.989 1.508 -2.095
43 H24 H H24 N N N 0 0.879 -1.207 -5.955
44 H14 H H14 N N N 0 -0.416 -2.512 -3.667
45 H23 H H23 N N N 0 0.866 -3.078 -1.024