Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : BIC

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 39


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 S N N 0 1.347 -0.31 -2.444
2 C2 C C2 N N N 0 1.053 0.238 -3.859
3 C3 C C3 N N N 0 -0.478 0.466 -3.83
4 C4 C C4 N N N 0 -2.179 0.12 -2.224
5 C5 C C5 N N N 0 -2.536 -0.499 -0.872
6 C6 C C6 S N N 0 -1.5 -0.045 0.163
7 C7 C C7 N N N 0 -0.125 -0.252 -0.423
8 N1 N N1 N N N 0 -0.92 -0.415 -2.721
9 N2 N N2 N N N 0 0.039 -0.318 -1.755
10 O1 O O1 N N N 0 0.834 -0.359 0.31
11 C8 C C8 N N N 0 2.315 0.593 -1.723
12 O2 O O2 N N N 0 3.367 0.154 -1.324
13 N3 N N3 N N N 0 -1.699 1.376 0.472
14 C9 C C9 N N N 0 -1.648 -0.876 1.439
15 C10 C C10 N Y N 0 -0.619 -0.436 2.447
16 C11 C C11 N Y N 0 -0.917 0.571 3.345
17 C12 C C12 N Y N 0 0.026 0.975 4.27
18 C13 C C13 N Y N 0 1.269 0.371 4.298
19 C14 C C14 N Y N 0 1.568 -0.636 3.401
20 C15 C C15 N Y N 0 0.622 -1.043 2.478
21 H1 H H1 N N N 0 1.749 -1.321 -2.506
22 H21 H 1H2 N N N 0 1.32 -0.495 -4.62
23 H22 H 2H2 N N N 0 1.58 1.177 -4.026
24 H31 H 1H3 N N N 0 -0.932 0.159 -4.772
25 H32 H 2H3 N N N 0 -0.709 1.508 -3.61
26 H41 H 1H4 N N N 0 -2.971 -0.1 -2.94
27 H42 H 2H4 N N N 0 -2.09 1.2 -2.11
28 H51 H 1H5 N N N 0 -2.521 -1.586 -0.953
29 H52 H 2H5 N N N 0 -3.528 -0.167 -0.567
30 H8 H H8 N N N 0 2.068 1.632 -1.565
31 HN31 H 1HN3 N N N 0 -0.998 1.625 1.153
32 HN32 H 2HN3 N N N 0 -1.48 1.889 -0.369
33 H91 H 1H9 N N N 0 -2.647 -0.732 1.852
34 H92 H 2H9 N N N 0 -1.5 -1.93 1.205
35 H11 H H11 N N N 0 -1.888 1.043 3.323
36 H12 H H12 N N N 0 -0.206 1.763 4.971
37 H13 H H13 N N N 0 2.007 0.687 5.02
38 H14 H H14 N N N 0 2.539 -1.108 3.422
39 H15 H H15 N N N 0 0.855 -1.831 1.778