Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : S52

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 53


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N Y N 0 4.935 -0.202 -1.955
2 O1 O O1 N N N 0 0.254 1.245 -0.609
3 C2 C C2 N Y N 0 3.789 -0.222 -2.729
4 C3 C C3 N Y N 0 2.561 -0.458 -2.143
5 C4 C C4 N Y N 0 2.478 -0.675 -0.774
6 C5 C C5 N Y N 0 3.63 -0.654 0.001
7 C6 C C6 N Y N 0 4.855 -0.417 -0.591
8 N12 N N12 N Y N 0 1.234 -0.913 -0.176
9 C13 C C13 N Y N 0 0.866 -2.099 0.438
10 C14 C C14 N Y N 0 -0.446 -1.949 0.912
11 C15 C C15 N Y N 0 -0.86 -0.581 0.545
12 C16 C C16 N Y N 0 0.218 -0.01 -0.11
13 C17 C C17 N Y N 0 1.53 -3.304 0.64
14 C18 C C18 N Y N 0 0.898 -4.336 1.301
15 C19 C C19 N Y N 0 -0.399 -4.186 1.769
16 C20 C C20 N Y N 0 -1.073 -2.999 1.578
17 C26 C C26 N Y N 0 0.698 2.241 0.203
18 C29 C C29 N Y N 0 0.655 3.559 -0.228
19 C30 C C30 N Y N 0 1.107 4.57 0.598
20 C31 C C31 N Y N 0 1.603 4.268 1.854
21 C32 C C32 N Y N 0 1.647 2.955 2.285
22 C33 C C33 N Y N 0 1.191 1.942 1.465
23 C39 C C39 N N N 0 -2.151 0.048 0.823
24 N40 N N40 N N N 0 -3.188 -0.143 -0.016
25 O41 O O41 N N N 0 -2.289 0.745 1.812
26 C42 C C42 N N N 0 -4.523 0.388 0.301
27 C43 C C43 N N N 0 -5.032 1.18 -0.908
28 N44 N N44 N N N 0 -4.968 0.333 -2.107
29 C45 C C45 N N N 0 -3.583 -0.044 -2.42
30 C46 C C46 N N N 0 -3.014 -0.882 -1.276
31 H1 H H1 N N N 0 5.894 -0.022 -2.417
32 H2 H H2 N N N 0 3.855 -0.054 -3.794
33 H3 H H3 N N N 0 1.667 -0.473 -2.748
34 H5 H H5 N N N 0 3.568 -0.822 1.066
35 H6 H H6 N N N 0 5.751 -0.401 0.011
36 H17 H H17 N N N 0 2.54 -3.432 0.279
37 H18 H H18 N N N 0 1.418 -5.271 1.455
38 H19 H H19 N N N 0 -0.882 -5.003 2.285
39 H20 H H20 N N N 0 -2.083 -2.884 1.943
40 H29 H H29 N N N 0 0.269 3.796 -1.209
41 H30 H H30 N N N 0 1.074 5.596 0.264
42 H31 H H31 N N N 0 1.956 5.06 2.498
43 H32 H H32 N N N 0 2.035 2.722 3.266
44 H33 H H33 N N N 0 1.221 0.917 1.804
45 H42 H H42 N N N 0 -5.205 -0.437 0.511
46 H42A H H42A N N N 0 -4.46 1.044 1.169
47 H43 H H43 N N N 0 -6.063 1.487 -0.734
48 H43A H H43A N N N 0 -4.408 2.062 -1.053
49 HN44 H HN44 N N N 0 -5.551 -0.484 -2.004
50 H45 H H45 N N N 0 -3.564 -0.625 -3.342
51 H45A H H45A N N N 0 -2.98 0.855 -2.543
52 H46 H H46 N N N 0 -1.954 -1.064 -1.449
53 H46A H H46A N N N 0 -3.548 -1.831 -1.22