Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : XVI

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 2.667 3.855 -1.019
2 C3 C C2 N Y N 0 2.232 1.562 -0.576
3 C7 C C3 N Y N 0 1.684 -0.758 -0.097
4 C9 C C4 N N N 0 1.053 -2.993 0.4
5 C12 C C5 N Y N 0 2.605 0.207 -0.538
6 C13 C C6 N N N 0 3.953 -0.197 -0.959
7 C16 C C7 R N N 0 6.298 -0.651 -0.477
8 C19 C C8 S N N 0 7.478 -0.156 0.361
9 C22 C C9 N Y N 0 -1.308 1.38 0.67
10 N25 N N1 N Y N 0 -3.524 1.492 0.873
11 C27 C C10 N Y N 0 -5.139 0.154 -0.207
12 C30 C C11 N Y N 0 -2.517 0.814 0.239
13 C31 C C12 N N N 0 -6.584 -0.203 -0.445
14 C32 C C13 N N N 0 -7.48 0.714 0.39
15 C33 C C14 N N N 0 -6.914 -0.025 -1.929
16 C34 C C15 N N N 0 -6.814 -1.603 -0.056
17 O2 O O1 N N N 0 3.116 2.499 -1.001
18 C4 C C16 N Y N 0 0.962 1.937 -0.185
19 C5 C C17 N Y N 0 0.05 0.973 0.252
20 C6 C C18 N Y N 0 0.418 -0.373 0.297
21 O8 O O2 N N N 0 2.039 -2.067 -0.059
22 F10 F F1 N N N 0 0.68 -2.667 1.708
23 F11 F F2 N N N 0 -0.069 -2.932 -0.434
24 O14 O O3 N N N 0 4.166 -0.487 -2.122
25 N15 N N2 N N N 0 4.953 -0.248 -0.058
26 C18 C C19 N N N 0 7.057 -1.626 0.426
27 F21 F F3 N N N 0 7.191 0.648 1.469
28 C23 C C20 N Y N 0 -1.631 2.406 1.565
29 N24 N N3 N Y N 0 -2.935 2.473 1.681
30 C26 C C21 N Y N 0 -4.826 1.155 0.644
31 C28 C C22 N Y N 0 -4.126 -0.557 -0.868
32 C29 C C23 N Y N 0 -2.822 -0.229 -0.648
33 H7 H H7 N N N 0 -7.309 1.751 0.101
34 N35 N N4 N N N 0 -6.992 -2.684 0.245
35 H1 H H1 N N N 0 1.806 3.943 -1.681
36 H2 H H2 N N N 0 2.382 4.156 -0.011
37 H3 H H3 N N N 0 3.469 4.499 -1.378
38 H4 H H4 N N N 0 1.465 -4.002 0.381
39 H5 H H5 N N N 0 6.447 -0.742 -1.554
40 H6 H H6 N N N 0 8.404 0.079 -0.164
41 H8 H H8 N N N 0 -8.525 0.456 0.217
42 H9 H H9 N N N 0 -7.244 0.587 1.447
43 H10 H H10 N N N 0 -6.276 -0.678 -2.524
44 H11 H H11 N N N 0 -7.959 -0.283 -2.101
45 H12 H H12 N N N 0 -6.743 1.012 -2.217
46 H13 H H13 N N N 0 0.673 2.977 -0.218
47 H14 H H14 N N N 0 -0.29 -1.115 0.636
48 H15 H H15 N N N 0 4.784 -0.017 0.869
49 H16 H H16 N N N 0 6.556 -1.966 1.332
50 H17 H H17 N N N 0 7.706 -2.357 -0.056
51 H18 H H18 N N N 0 -0.922 3.039 2.078
52 H19 H H19 N N N 0 -5.615 1.694 1.149
53 H20 H H20 N N N 0 -4.379 -1.358 -1.548
54 H21 H H21 N N N 0 -2.031 -0.766 -1.151