Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : RND

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 60


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C01 C C01 N Y N 0 -6.444 0.171 -0.631
2 C02 C C02 N Y N 0 -7.722 0.203 -0.149
3 C03 C C03 N Y N 0 -8.154 -0.744 0.77
4 C04 C C04 N Y N 0 -7.302 -1.732 1.212
5 C05 C C05 N Y N 0 -5.996 -1.784 0.735
6 C06 C C06 N Y N 0 -5.566 -0.825 -0.2
7 N07 N N07 N Y N 0 -4.932 -2.623 0.976
8 C08 C C08 N Y N 0 -4.168 -1.148 -0.497
9 C09 C C09 N Y N 0 -3.851 -2.228 0.235
10 C10 C C10 N N N 0 -3.26 -0.41 -1.446
11 N11 N N11 N N N 0 -2.738 0.794 -0.787
12 C12 C C12 N N N 0 -2.043 1.661 -1.747
13 C13 C C13 N N N 0 -1.641 2.968 -1.06
14 C14 C C14 N N N 0 -0.727 2.654 0.127
15 C15 C C15 N N N 0 -1.457 1.712 1.089
16 C16 C C16 N N N 0 -1.863 0.441 0.339
17 N17 N N17 N N N 0 0.498 2.01 -0.354
18 O20 O O20 N N N 0 1.638 2.697 1.421
19 C18 C C18 N N N 0 1.631 2.091 0.37
20 C19 C C19 S N N 0 2.891 1.429 -0.125
21 C21 C C21 N N N 0 2.84 -0.067 0.193
22 N22 N N22 N N N 0 4.055 2.031 0.539
23 C23 C C23 N Y N 0 4.04 -0.75 -0.409
24 N24 N N24 N Y N 0 5.349 -1.87 -1.809
25 C25 C C25 N Y N 0 4.094 -1.368 -1.6
26 C26 C C26 N Y N 0 5.372 -0.861 0.191
27 C27 C C27 N Y N 0 6.156 -1.577 -0.732
28 C28 C C28 N Y N 0 7.488 -1.843 -0.433
29 C29 C C29 N Y N 0 8.023 -1.403 0.757
30 C30 C C30 N Y N 0 7.246 -0.696 1.665
31 C31 C C31 N Y N 0 5.935 -0.424 1.391
32 H1 H H1 N N N 0 -6.116 0.911 -1.346
33 H2 H H2 N N N 0 -8.403 0.971 -0.486
34 H3 H H3 N N N 0 -9.167 -0.706 1.141
35 H4 H H4 N N N 0 -7.647 -2.464 1.927
36 H5 H H5 N N N 0 -4.946 -3.382 1.58
37 H6 H H6 N N N 0 -2.887 -2.714 0.238
38 H7 H H7 N N N 0 -2.43 -1.057 -1.731
39 H8 H H8 N N N 0 -3.819 -0.124 -2.336
40 H10 H H10 N N N 0 -1.15 1.154 -2.114
41 H11 H H11 N N N 0 -2.705 1.879 -2.585
42 H12 H H12 N N N 0 -1.112 3.604 -1.769
43 H13 H H13 N N N 0 -2.535 3.482 -0.706
44 H14 H H14 N N N 0 -0.472 3.579 0.645
45 H15 H H15 N N N 0 -0.795 1.451 1.915
46 H16 H H16 N N N 0 -2.347 2.207 1.477
47 H17 H H17 N N N 0 -2.396 -0.226 1.017
48 H18 H H18 N N N 0 -0.971 -0.06 -0.037
49 H19 H H19 N N N 0 0.493 1.526 -1.194
50 H20 H H20 N N N 0 2.975 1.568 -1.203
51 H21 H H21 N N N 0 2.845 -0.209 1.274
52 H22 H H22 N N N 0 1.929 -0.496 -0.225
53 H23 H H23 N N N 0 4.0 1.915 1.54
54 H24 H H24 N N N 0 4.916 1.649 0.177
55 H26 H H26 N N N 0 5.63 -2.358 -2.599
56 H27 H H27 N N N 0 3.268 -1.456 -2.29
57 H28 H H28 N N N 0 8.101 -2.392 -1.133
58 H29 H H29 N N N 0 9.058 -1.609 0.987
59 H30 H H30 N N N 0 7.681 -0.358 2.594
60 H31 H H31 N N N 0 5.336 0.126 2.102