Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 2C1

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 N3 N N3 N N N 0 0.379 2.944 0.682
2 C5 C C5 N N N 0 -0.433 1.868 0.672
3 C6 C C6 N Y N 0 -2.5 0.849 0.102
4 C7 C C7 N Y N 0 -2.787 -1.418 0.454
5 C8 C C8 N Y N 0 3.461 2.101 -0.935
6 C10 C C10 N Y N 0 3.871 -0.145 -1.126
7 N12 N N12 N N N 0 -2.279 -2.624 0.934
8 C13 C C13 N Y N 0 4.061 1.071 -1.639
9 C15 C C15 N Y N 0 -3.758 0.954 -0.477
10 C28 C C28 N N N 0 0.626 -3.819 2.846
11 S1 S S1 N N N 0 1.93 2.805 1.246
12 C2 C C2 N Y N 0 2.788 1.722 0.153
13 S4 S S4 N Y N 0 2.888 -0.026 0.328
14 N9 N N9 N Y N 0 -2.056 -0.317 0.545
15 N11 N N11 N N N 0 -1.695 1.981 0.212
16 C14 C C14 N N N 0 -1.099 -2.647 1.585
17 C16 C C16 N Y N 0 -4.054 -1.383 -0.114
18 O17 O O17 N N N 0 2.528 4.085 1.094
19 O18 O O18 N N N 0 1.844 2.13 2.494
20 C19 C C19 N Y N 0 -4.55 -0.179 -0.588
21 O20 O O20 N N N 0 -0.027 0.796 1.077
22 O21 O O21 N N N 0 -0.433 -1.634 1.672
23 N22 N N22 N N N 0 -0.657 -3.794 2.139
24 C23 C C23 N N N 0 4.416 -1.426 -1.703
25 BR1 BR BR1 N N N 0 -6.27 -0.083 -1.369
26 C25 C C25 N N N 0 4.867 1.307 -2.89
27 O26 O O26 N N N 0 6.311 -2.925 -1.648
28 C27 C C27 N N N 0 5.794 -1.71 -1.101
29 C29 C C29 N N N 0 7.602 -3.283 -1.149
30 H1 H H1 N N N 0 0.057 3.798 0.354
31 H2 H H2 N N N 0 3.536 3.135 -1.24
32 H3 H H3 N N N 0 -2.775 -3.447 0.8
33 H4 H H4 N N N 0 -4.116 1.908 -0.837
34 H5 H H5 N N N 0 1.424 -3.533 2.161
35 H6 H H6 N N N 0 0.594 -3.119 3.68
36 H7 H H7 N N N 0 0.813 -4.825 3.222
37 H8 H H8 N N N 0 -2.043 2.85 -0.042
38 H9 H H9 N N N 0 -4.645 -2.284 -0.185
39 H10 H H10 N N N 0 -1.189 -4.602 2.069
40 H11 H H11 N N N 0 3.74 -2.248 -1.467
41 H12 H H12 N N N 0 4.505 -1.328 -2.785
42 H13 H H13 N N N 0 4.212 1.257 -3.759
43 H14 H H14 N N N 0 5.333 2.291 -2.842
44 H15 H H15 N N N 0 5.64 0.543 -2.973
45 H16 H H16 N N N 0 6.47 -0.888 -1.337
46 H17 H H17 N N N 0 5.705 -1.808 -0.019
47 H18 H H18 N N N 0 8.315 -2.494 -1.386
48 H19 H H19 N N N 0 7.55 -3.414 -0.068
49 H20 H H20 N N N 0 7.924 -4.216 -1.613