Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : J0W

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 54


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N N N 0 -1.117 5.158 0.235
2 C2 C C2 N N N 0 -1.671 3.855 -0.345
3 C3 C C3 N N N 0 -0.992 3.563 -1.684
4 C4 C C4 N N N 0 -1.394 2.706 0.628
5 N5 N N5 N N N 0 -2.029 1.479 0.13
6 C6 C C6 N N N 0 -3.485 1.517 0.336
7 C7 C C7 N N N 0 -4.125 0.417 -0.511
8 C8 C C8 N Y N 0 -3.424 -0.895 -0.265
9 C9 C C9 N Y N 0 -4.058 -2.065 -0.652
10 C10 C C10 N Y N 0 -3.448 -3.292 -0.448
11 C11 C C11 N Y N 0 -2.195 -3.346 0.146
12 C12 C C12 N Y N 0 -1.567 -2.18 0.531
13 C13 C C13 N Y N 0 -2.18 -0.951 0.327
14 C14 C C14 R N N 0 -1.456 0.292 0.774
15 C15 C C15 N N N 0 -1.579 0.432 2.292
16 C16 C C16 N Y N 0 0.001 0.18 0.404
17 C17 C C17 N Y N 0 0.431 0.61 -0.839
18 C18 C C18 N Y N 0 1.762 0.51 -1.184
19 C19 C C19 N Y N 0 2.678 -0.028 -0.274
20 C20 C C20 N Y N 0 2.236 -0.46 0.98
21 C21 C C21 N Y N 0 0.902 -0.348 1.312
22 C22 C C22 N N N 0 4.101 -0.139 -0.635
23 C23 C C23 N N N 0 4.982 -0.658 0.245
24 C24 C C24 N N N 0 6.395 -0.768 -0.113
25 O25 O O25 N N N 0 6.777 -0.391 -1.205
26 O26 O O26 N N N 0 7.276 -1.287 0.767
27 O27 O O27 N N N 0 -4.073 -4.437 -0.828
28 H11C H H11C N N N 0 -1.314 5.976 -0.458
29 H12C H H12C N N N 0 -1.601 5.366 1.189
30 H13C H H13C N N N 0 -0.042 5.061 0.385
31 H2 H H2 N N N 0 -2.746 3.952 -0.495
32 H31C H H31C N N N 0 0.083 3.466 -1.534
33 H32C H H32C N N N 0 -1.387 2.634 -2.097
34 H33C H H33C N N N 0 -1.189 4.381 -2.377
35 H41C H H41C N N N 0 -0.318 2.551 0.71
36 H42C H H42C N N N 0 -1.801 2.954 1.608
37 H61C H H61C N N N 0 -3.71 1.346 1.389
38 H62C H H62C N N N 0 -3.873 2.488 0.029
39 H71C H H71C N N N 0 -5.177 0.32 -0.244
40 H72C H H72C N N N 0 -4.043 0.679 -1.566
41 H9 H H9 N N N 0 -5.033 -2.02 -1.115
42 H11 H H11 N N N 0 -1.713 -4.299 0.307
43 H27 H H27 N N N 0 -3.874 -4.711 -1.734
44 H12 H H12 N N N 0 -0.592 -2.223 0.993
45 H151 H H151 N N N 0 -2.631 0.523 2.565
46 H152 H H152 N N N 0 -1.154 -0.449 2.774
47 H153 H H153 N N N 0 -1.04 1.321 2.62
48 H17 H H17 N N N 0 -0.277 1.025 -1.54
49 H21 H H21 N N N 0 0.559 -0.678 2.282
50 H18 H H18 N N N 0 2.097 0.846 -2.155
51 H20 H H20 N N N 0 2.937 -0.877 1.688
52 H22 H H22 N N N 0 4.44 0.196 -1.605
53 H23 H H23 N N N 0 4.643 -0.992 1.215
54 H26 H H26 N N N 0 8.186 -1.319 0.441