Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : S1E

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 47


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 O O O1 N N N 0 0.189 -0.942 -2.22
2 C C C1 N N N 0 0.166 -0.262 -1.213
3 N N N1 N N N 0 -1.006 -0.008 -0.598
4 C15 C C2 N N N 0 -1.054 0.923 0.532
5 C16 C C3 N Y N 0 -2.232 1.849 0.37
6 C21 C C4 N Y N 0 -2.124 2.972 -0.431
7 C20 C C5 N Y N 0 -3.204 3.822 -0.579
8 C19 C C6 N Y N 0 -4.392 3.549 0.072
9 C18 C C7 N Y N 0 -4.501 2.427 0.872
10 C17 C C8 N Y N 0 -3.422 1.574 1.016
11 C8 C C9 N N N 0 -2.233 -0.664 -1.059
12 C9 C C10 N Y N 0 -2.415 -1.964 -0.32
13 C14 C C11 N Y N 0 -1.87 -3.13 -0.827
14 C13 C C12 N Y N 0 -2.038 -4.323 -0.149
15 C12 C C13 N Y N 0 -2.75 -4.351 1.035
16 C11 C C14 N Y N 0 -3.294 -3.185 1.542
17 C10 C C15 N Y N 0 -3.123 -1.992 0.867
18 C1 C C16 N Y N 0 1.424 0.282 -0.66
19 C4 C C17 N Y N 0 1.499 1.624 -0.276
20 C5 C C18 N Y N 0 2.673 2.134 0.242
21 C6 C C19 N Y N 0 3.782 1.323 0.384
22 C7 C C20 N N N 0 5.17 1.588 0.904
23 O1 O O2 N N N 0 5.939 0.389 0.831
24 B B B1 N N N 0 5.127 -0.644 0.292
25 C3 C C21 N Y N 0 3.716 -0.018 0.003
26 C2 C C22 N Y N 0 2.539 -0.542 -0.513
27 H1 H H1 N N N 0 -1.158 0.363 1.461
28 H2 H H2 N N N 0 -0.134 1.507 0.561
29 H3 H H3 N N N 0 -1.195 3.184 -0.939
30 H4 H H4 N N N 0 -3.119 4.699 -1.203
31 H5 H H5 N N N 0 -5.235 4.214 -0.043
32 H6 H H6 N N N 0 -5.429 2.214 1.381
33 H7 H H7 N N N 0 -3.508 0.695 1.638
34 H8 H H8 N N N 0 -3.086 -0.014 -0.867
35 H9 H H9 N N N 0 -2.159 -0.861 -2.129
36 H10 H H10 N N N 0 -1.314 -3.108 -1.753
37 H11 H H11 N N N 0 -1.613 -5.233 -0.546
38 H12 H H12 N N N 0 -2.881 -5.283 1.564
39 H13 H H13 N N N 0 -3.85 -3.207 2.468
40 H14 H H14 N N N 0 -3.544 -1.081 1.265
41 H15 H H15 N N N 0 0.636 2.264 -0.385
42 H16 H H16 N N N 0 2.724 3.172 0.536
43 H17 H H17 N N N 0 5.644 2.362 0.299
44 O2 O O3 N N N 0 5.518 -1.989 0.058
45 H19 H H19 N N N 0 2.487 -1.581 -0.802
46 H20 H H20 N N N 0 6.434 -2.181 0.302
47 H18 H H18 N N N 0 5.113 1.921 1.94