Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : JDW

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 C2 C C1 N N N 0 1.662 -0.931 -1.785
2 C3 C C2 N Y N 0 3.242 0.091 -0.266
3 C4 C C3 N Y N 0 4.094 0.347 -1.354
4 C5 C C4 N Y N 0 5.285 0.973 -1.147
5 C6 C C5 N Y N 0 5.678 1.367 0.131
6 C7 C C6 N Y N 0 4.88 1.136 1.209
7 C8 C C7 N Y N 0 3.647 0.487 1.034
8 C10 C C8 N Y N 0 1.609 -0.406 1.876
9 C17 C C9 N Y N 0 -3.07 1.483 -0.171
10 C16 C C10 N Y N 0 -3.365 0.098 -0.119
11 C15 C C11 N Y N 0 -1.732 1.9 -0.05
12 C14 C C12 N Y N 0 -0.77 0.943 0.108
13 C13 C C13 N Y N 0 -1.128 -0.403 0.145
14 C12 C C14 N N N 0 -0.052 -1.443 0.32
15 C11 C C15 N Y N 0 1.269 -0.763 0.573
16 C1 C C16 N N N 0 2.225 -2.322 -2.086
17 C18 C C17 N Y N 0 -4.113 2.409 -0.335
18 C19 C C18 N Y N 0 -5.395 1.965 -0.448
19 C20 C C19 N Y N 0 -5.687 0.603 -0.402
20 C21 C C20 N Y N 0 -4.702 -0.322 -0.24
21 C22 C C21 N N N 0 -2.694 -2.217 0.088
22 C23 C C22 N N N 0 -3.076 -2.609 1.517
23 C9 C C23 N Y N 0 2.793 0.229 2.122
24 N1 N N1 N Y N 1 2.067 -0.522 -0.438
25 N2 N N2 N Y N 1 -2.377 -0.787 0.043
26 H1 H H1 N N N 0 2.048 -0.218 -2.513
27 H2 H H2 N N N 0 0.574 -0.959 -1.845
28 H3 H H3 N N N 0 3.805 0.048 -2.351
29 H4 H H4 N N N 0 5.936 1.167 -1.987
30 H5 H H5 N N N 0 6.628 1.861 0.267
31 H6 H H6 N N N 0 5.195 1.446 2.194
32 H7 H H7 N N N 0 0.93 -0.618 2.689
33 H8 H H8 N N N 0 -1.472 2.948 -0.081
34 H9 H H9 N N N 0 0.267 1.229 0.204
35 H10 H H10 N N N 0 -0.299 -2.083 1.167
36 H11 H H11 N N N 0 0.019 -2.048 -0.584
37 H12 H H12 N N N 0 3.313 -2.294 -2.026
38 H13 H H13 N N N 0 1.839 -3.035 -1.358
39 H14 H H14 N N N 0 1.924 -2.627 -3.088
40 H15 H H15 N N N 0 -3.9 3.467 -0.371
41 H16 H H16 N N N 0 -6.197 2.678 -0.575
42 H17 H H17 N N N 0 -6.713 0.276 -0.494
43 H24 H H24 N N N 0 3.066 0.525 3.124
44 H18 H H18 N N N 0 -4.946 -1.373 -0.203
45 H19 H H19 N N N 0 -1.823 -2.792 -0.226
46 H20 H H20 N N N 0 -3.528 -2.426 -0.582
47 H21 H H21 N N N 0 -2.213 -2.484 2.171
48 H22 H H22 N N N 0 -3.89 -1.973 1.863
49 H23 H H23 N N N 0 -3.396 -3.651 1.534