Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : S0T

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 C02 C C1 N N N 0 3.713 2.8 -0.358
2 C03 C C2 S N N 0 4.662 1.688 -0.722
3 C04 C C3 N N N 0 5.475 1.236 0.51
4 C05 C C4 N Y N 0 5.649 -0.259 0.342
5 C06 C C5 N Y N 0 6.539 -1.136 0.951
6 C08 C C6 N Y N 0 6.512 -2.485 0.634
7 C09 C C7 N Y N 0 5.598 -2.957 -0.289
8 C10 C C8 N Y N 0 4.715 -2.084 -0.894
9 C11 C C9 N Y N 0 4.738 -0.735 -0.58
10 C12 C C10 S N N 0 3.888 0.408 -1.102
11 C14 C C11 N N N 0 1.552 -0.281 -1.006
12 C15 C C12 N Y N 0 0.229 -0.287 -0.352
13 C16 C C13 N Y N 0 -0.832 -0.994 -0.925
14 C17 C C14 N Y N 0 -2.064 -0.998 -0.313
15 C18 C C15 N Y N 0 -2.255 -0.299 0.875
16 C20 C C16 N N N 0 -4.626 -0.301 0.745
17 C22 C C17 N Y N 0 -6.991 -0.11 0.56
18 C23 C C18 N Y N 0 -7.081 -0.796 -0.644
19 C24 C C19 N Y N 0 -8.227 -0.699 -1.408
20 C25 C C20 N Y N 0 -9.285 0.081 -0.976
21 C26 C C21 N Y N 0 -9.198 0.765 0.223
22 C27 C C22 N Y N 0 -8.054 0.672 0.992
23 C29 C C23 N Y N 0 -1.201 0.407 1.448
24 C30 C C24 N Y N 0 0.036 0.41 0.844
25 N13 N N1 N N N 0 2.574 0.402 -0.453
26 N19 N N2 N N N 0 -3.505 -0.305 1.493
27 N21 N N3 N N N 0 -5.833 -0.211 1.339
28 O01 O O1 N N N 0 3.323 2.914 0.78
29 O07 O O2 N N N 0 7.436 -0.67 1.859
30 O28 O O3 N N N 0 -4.549 -0.38 -0.466
31 O31 O O4 N N N 0 1.72 -0.891 -2.044
32 O32 O O5 N N N 0 3.305 3.668 -1.298
33 H031 H H1 N N N 0 5.324 1.995 -1.532
34 H042 H H2 N N N 0 6.446 1.73 0.525
35 H041 H H3 N N N 0 4.926 1.454 1.426
36 H081 H H4 N N N 0 7.203 -3.166 1.108
37 H091 H H5 N N N 0 5.576 -4.007 -0.537
38 H101 H H6 N N N 0 4.002 -2.456 -1.615
39 H121 H H7 N N N 0 3.776 0.333 -2.183
40 H161 H H8 N N N 0 -0.684 -1.536 -1.847
41 H171 H H9 N N N 0 -2.885 -1.544 -0.755
42 H231 H H10 N N N 0 -6.255 -1.404 -0.983
43 H241 H H11 N N N 0 -8.298 -1.232 -2.345
44 H251 H H12 N N N 0 -10.18 0.155 -1.575
45 H261 H H13 N N N 0 -10.025 1.373 0.558
46 H271 H H14 N N N 0 -7.987 1.206 1.928
47 H291 H H15 N N N 0 -1.353 0.949 2.369
48 H301 H H16 N N N 0 0.854 0.953 1.291
49 H131 H H17 N N N 0 2.44 0.889 0.375
50 H191 H H18 N N N 0 -3.568 -0.311 2.461
51 H211 H H19 N N N 0 -5.898 -0.215 2.307
52 H071 H H20 N N N 0 7.113 -0.676 2.77
53 H1 H H21 N N N 0 2.699 4.367 -1.016