Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : OBB

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 51


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C01 C C1 N Y N 0 -6.201 -0.967 2.076
2 C02 C C2 N Y N 0 -4.979 -1.375 2.595
3 C03 C C3 N Y N 0 -3.867 -1.431 1.782
4 C04 C C4 N Y N 0 -3.971 -1.077 0.434
5 C05 C C5 N Y N 0 -5.203 -0.668 -0.084
6 C06 C C6 N Y N 0 -6.31 -0.62 0.735
7 O01 O O1 N N N 0 -7.294 -0.913 2.881
8 C07 C C7 N N N 0 -2.784 -1.13 -0.438
9 C08 C C8 N N N 0 -2.167 -0.084 -1.041
10 C09 C C9 S N N 0 -0.994 -0.683 -1.824
11 C10 C C10 N Y N 0 -2.546 1.337 -0.96
12 C11 C C11 N Y N 0 -2.47 2.015 0.26
13 C12 C C12 N Y N 0 -2.826 3.344 0.33
14 C13 C C13 N Y N 0 -3.261 4.01 -0.808
15 C14 C C14 N Y N 0 -3.339 3.341 -2.023
16 C15 C C15 N Y N 0 -2.979 2.013 -2.105
17 O02 O O2 N N N 0 -3.612 5.32 -0.733
18 C16 C C16 S N N 0 -1.991 -2.377 -0.841
19 C17 C C17 N N N 0 -0.66 -2.293 -0.032
20 C18 C C18 R N N 0 0.054 -1.094 -0.745
21 O03 O O3 N N N 0 -1.551 -1.99 -2.19
22 S01 S S1 N N N 0 1.615 -1.626 -1.501
23 O04 O O4 N N N 0 2.434 -2.169 -0.339
24 O05 O O5 N N N 0 1.403 -2.755 -2.339
25 O06 O O6 N N N 0 2.356 -0.503 -1.958
26 C19 C C19 N Y N 0 2.944 -1.208 0.474
27 C20 C C20 N Y N 0 4.187 -0.655 0.202
28 C21 C C21 N Y N 0 4.704 0.323 1.031
29 C22 C C22 N Y N 0 3.982 0.751 2.131
30 C23 C C23 N Y N 0 2.744 0.201 2.404
31 C24 C C24 N Y N 0 2.221 -0.773 1.575
32 BR1 BR BR1 N N N 0 6.398 1.077 0.661
33 H1 H H1 N N N 0 -4.9 -1.648 3.636
34 H2 H H2 N N N 0 -2.917 -1.748 2.187
35 H3 H H3 N N N 0 -5.288 -0.393 -1.125
36 H4 H H4 N N N 0 -7.263 -0.304 0.336
37 H5 H H5 N N N 0 -7.418 -0.059 3.319
38 H6 H H6 N N N 0 -0.622 -0.075 -2.649
39 H7 H H7 N N N 0 -2.132 1.497 1.146
40 H8 H H8 N N N 0 -2.767 3.869 1.273
41 H9 H H9 N N N 0 -3.678 3.863 -2.905
42 H10 H H10 N N N 0 -3.04 1.494 -3.049
43 H11 H H11 N N N 0 -2.882 5.933 -0.893
44 H12 H H12 N N N 0 -2.529 -3.322 -0.767
45 H13 H H13 N N N 0 -0.856 -2.083 1.02
46 H14 H H14 N N N 0 -0.078 -3.208 -0.142
47 H15 H H15 N N N 0 0.221 -0.271 -0.05
48 H16 H H16 N N N 0 4.751 -0.989 -0.657
49 H17 H H17 N N N 0 4.387 1.515 2.778
50 H18 H H18 N N N 0 2.182 0.536 3.264
51 H19 H H19 N N N 0 1.251 -1.199 1.787