Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : JPR

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 49


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 CL1 CL CL1 N N N 0 6.904 2.637 -0.21
2 C1 C C1 N N N 0 9.13 0.611 -0.238
3 N1 N N1 N N N 0 3.916 -1.417 0.707
4 O1 O O1 N N N 0 3.012 0.059 -0.686
5 S1 S S1 N N N 0 -2.273 -0.486 -0.478
6 C2 C C2 N Y N 0 7.745 0.073 0.013
7 N2 N N2 N N N 0 1.604 -1.249 0.428
8 O2 O O2 N Y N 0 -5.679 0.183 0.201
9 C3 C C3 N Y N 0 7.558 -1.281 0.218
10 N3 N N3 N N N 0 -8.878 0.888 0.533
11 C4 C C4 N Y N 0 6.663 0.936 0.042
12 C5 C C5 N Y N 0 6.29 -1.778 0.448
13 C6 C C6 N Y N 0 5.392 0.445 0.272
14 C7 C C7 N Y N 0 5.201 -0.916 0.474
15 C8 C C8 N N N 0 2.85 -0.836 0.121
16 C9 C C9 N N N 0 0.445 -0.618 -0.209
17 C10 C C10 N N N 0 -0.839 -1.267 0.311
18 C11 C C11 N N N 0 -3.675 -1.375 0.254
19 C12 C C12 N Y N 0 -4.963 -0.832 -0.31
20 C13 C C13 N Y N 0 -5.592 -1.283 -1.411
21 C14 C C14 N Y N 0 -6.753 -0.494 -1.572
22 C15 C C15 N Y N 0 -6.765 0.393 -0.561
23 C16 C C16 N N N 0 -7.819 1.443 -0.322
24 C17 C C17 N N N 0 -8.368 0.592 1.878
25 C18 C C18 N N N 0 -10.033 1.794 0.595
26 H11 H 1H1 N N N 0 9.334 0.605 -1.309
27 H12 H 2H1 N N N 0 9.197 1.632 0.139
28 H13A H 3H1 N N N 0 9.861 -0.014 0.274
29 HN1 H HN1 N N N 0 3.792 -2.181 1.291
30 HN2 H HN2 N N N 0 1.474 -1.963 1.071
31 H3 H H3 N N N 0 8.404 -1.952 0.199
32 H5 H H5 N N N 0 6.144 -2.836 0.608
33 H6 H H6 N N N 0 4.548 1.118 0.296
34 H91 H 1H9 N N N 0 0.436 0.446 0.026
35 H92 H 2H9 N N N 0 0.508 -0.752 -1.289
36 H101 H 1H10 N N N 0 -0.901 -1.134 1.391
37 H102 H 2H10 N N N 0 -0.829 -2.332 0.076
38 H111 H 1H11 N N N 0 -3.595 -2.436 0.02
39 H112 H 2H11 N N N 0 -3.667 -1.239 1.335
40 H13 H H13 N N N 0 -5.27 -2.093 -2.05
41 H14 H H14 N N N 0 -7.489 -0.584 -2.357
42 H161 H 1H16 N N N 0 -8.247 1.752 -1.275
43 H162 H 2H16 N N N 0 -7.369 2.304 0.171
44 H171 H 1H17 N N N 0 -9.153 0.119 2.468
45 H172 H 2H17 N N N 0 -7.514 -0.08 1.803
46 H173 H 3H17 N N N 0 -8.06 1.519 2.362
47 H181 H 1H18 N N N 0 -9.72 2.754 1.005
48 H182 H 2H18 N N N 0 -10.434 1.941 -0.408
49 H183 H 3H18 N N N 0 -10.802 1.36 1.234