Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : MI0

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 40


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 F1 F F1 N N N 0 2.053 -0.723 1.39
2 F2 F F2 N N N 0 1.867 -1.722 -0.656
3 N1 N N1 N N N 0 -0.324 -0.192 1.613
4 N2 N N2 N N N 0 4.524 -0.317 0.242
5 O1 O O1 N N N 0 1.223 1.747 0.217
6 O2 O O2 N N N 0 3.463 0.883 -1.293
7 C1 C C1 S N N 0 -0.384 -0.057 0.151
8 C2 C C2 N N N 0 -1.499 0.921 -0.225
9 C3 C C3 N N N 0 -2.852 0.331 0.176
10 C4 C C4 N N N 0 -3.133 -0.918 -0.662
11 C5 C C5 N N N 0 -3.953 1.366 -0.066
12 C6 C C6 N N N 0 -4.487 -1.508 -0.261
13 C7 C C7 N N N 0 -5.306 0.776 0.335
14 C8 C C8 N N N 0 -5.587 -0.472 -0.503
15 C9 C C9 R N N 0 0.954 0.471 -0.368
16 C10 C C10 N N N 0 2.069 -0.507 0.008
17 C11 C C11 N N N 0 3.401 0.07 -0.395
18 C12 C C12 N N N 0 5.819 0.245 -0.149
19 H1 H H1 N N N 0 -0.239 0.711 2.056
20 H2 H H2 N N N 0 1.277 1.733 1.182
21 H3 H H3 N N N 0 -0.589 -1.03 -0.295
22 H4 H H4 N N N 0 -1.345 1.865 0.297
23 H5 H H5 N N N 0 -1.483 1.094 -1.301
24 H6 H H6 N N N 0 -2.833 0.062 1.233
25 H7 H H7 N N N 0 -3.153 -0.649 -1.718
26 H8 H H8 N N N 0 -2.35 -1.655 -0.489
27 H9 H H9 N N N 0 -3.752 2.256 0.531
28 H10 H H10 N N N 0 -3.972 1.635 -1.122
29 H11 H H11 N N N 0 -4.687 -2.397 -0.858
30 H12 H H12 N N N 0 -4.467 -1.776 0.795
31 H13 H H13 N N N 0 -5.286 0.508 1.391
32 H14 H H14 N N N 0 -6.089 1.514 0.162
33 H15 H H15 N N N 0 -5.606 -0.204 -1.56
34 H16 H H16 N N N 0 -6.551 -0.893 -0.218
35 H17 H H17 N N N 0 0.909 0.571 -1.453
36 H18 H H18 N N N 0 6.604 -0.184 0.473
37 H19 H H19 N N N 0 6.016 0.01 -1.195
38 H20 H H20 N N N 0 5.801 1.327 -0.018
39 H21 H H21 N N N 0 4.474 -0.967 0.961
40 H22 H H22 N N Y 0 -1.126 -0.693 1.964