Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

PDBeChem : Atoms of Molecule

 Molecule : D0F

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 61


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 O22 O O1 N N N 0 -1.083 -0.737 -0.291
2 C20 C C1 N N N 0 -1.586 0.336 -0.547
3 C21 C C2 N N N 0 -3.046 0.572 -0.258
4 C23 C C3 N N N 0 -3.656 -0.692 0.352
5 C24 C C4 N N N 0 -5.138 -0.453 0.646
6 C29 C C5 N N N 0 -5.717 -1.671 1.37
7 C28 C C6 N N N 0 -7.2 -1.432 1.664
8 C27 C C7 N N N 0 -7.952 -1.214 0.349
9 C26 C C8 N N N 0 -7.372 0.004 -0.374
10 C25 C C9 N N N 0 -5.89 -0.235 -0.668
11 N19 N N1 N N N 0 -0.839 1.32 -1.086
12 C18 C C10 N N N 0 -1.319 2.669 -1.439
13 C17 C C11 N N N 0 -0.053 3.561 -1.409
14 C16 C C12 N N N 0 1.02 2.598 -1.981
15 C14 C C13 S N N 0 0.591 1.229 -1.413
16 C13 C C14 N N N 0 1.382 0.917 -0.168
17 O15 O O2 N N N 0 0.813 0.783 0.894
18 N5 N N2 N N N 0 2.722 0.788 -0.236
19 C1 C C15 S N N 0 3.491 0.485 0.974
20 C2 C C16 N N N 0 3.797 1.765 1.708
21 O4 O O3 N N N 0 4.497 1.731 2.853
22 O3 O O4 N N N 0 3.412 2.822 1.266
23 C6 C C17 N N N 0 4.8 -0.206 0.586
24 C7 C C18 N Y N 0 4.497 -1.543 -0.038
25 C12 C C19 N Y N 0 4.31 -1.641 -1.405
26 C11 C C20 N Y N 0 4.031 -2.868 -1.977
27 C10 C C21 N Y N 0 3.94 -3.997 -1.184
28 C9 C C22 N Y N 0 4.128 -3.898 0.182
29 C8 C C23 N Y N 0 4.411 -2.672 0.754
30 H1 H H1 N N N 0 -3.149 1.4 0.444
31 H2 H H2 N N N 0 -3.566 0.815 -1.184
32 H3 H H3 N N N 0 -3.553 -1.52 -0.349
33 H4 H H4 N N N 0 -3.136 -0.935 1.279
34 H5 H H5 N N N 0 -5.246 0.429 1.277
35 H6 H H6 N N N 0 -5.61 -2.553 0.739
36 H7 H H7 N N N 0 -5.181 -1.826 2.306
37 H8 H H8 N N N 0 -7.612 -2.299 2.179
38 H9 H H9 N N N 0 -7.307 -0.549 2.294
39 H10 H H10 N N N 0 -7.844 -2.096 -0.282
40 H11 H H11 N N N 0 -9.008 -1.043 0.559
41 H12 H H12 N N N 0 -7.908 0.159 -1.31
42 H13 H H13 N N N 0 -7.48 0.886 0.257
43 H14 H H14 N N N 0 -5.477 0.632 -1.183
44 H15 H H15 N N N 0 -5.782 -1.117 -1.299
45 H16 H H16 N N N 0 -1.758 2.666 -2.437
46 H17 H H17 N N N 0 -2.046 3.017 -0.705
47 H18 H H18 N N N 0 -0.176 4.434 -2.05
48 H19 H H19 N N N 0 0.191 3.858 -0.39
49 H20 H H20 N N N 0 0.992 2.592 -3.071
50 H21 H H21 N N N 0 2.013 2.87 -1.624
51 H22 H H22 N N N 0 0.752 0.45 -2.158
52 H23 H H23 N N N 0 3.177 0.895 -1.086
53 H24 H H24 N N N 0 2.909 -0.174 1.618
54 H25 H H25 N N N 0 4.668 2.578 3.288
55 H26 H H26 N N N 0 5.341 0.415 -0.128
56 H27 H H27 N N N 0 5.412 -0.351 1.477
57 H28 H H28 N N N 0 4.381 -0.76 -2.024
58 H29 H H29 N N N 0 3.885 -2.945 -3.045
59 H30 H H30 N N N 0 3.723 -4.955 -1.632
60 H31 H H31 N N N 0 4.056 -4.78 0.802
61 H32 H H32 N N N 0 4.561 -2.596 1.821