Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : CHD

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 69


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N N N 0 1.815 0.775 -4.042
2 C2 C C2 N N N 0 1.791 -0.702 -4.44
3 C3 C C3 R N N 0 0.601 -0.962 -5.365
4 O3 O O3 N N N 0 0.579 -2.342 -5.735
5 C4 C C4 N N N 0 -0.696 -0.608 -4.638
6 C5 C C5 S N N 0 -0.673 0.869 -4.24
7 C6 C C6 N N N 0 -1.972 1.222 -3.514
8 C7 C C7 R N N 0 -2.105 0.362 -2.255
9 O7 O O7 N N N 0 -2.125 -1.018 -2.622
10 C8 C C8 R N N 0 -0.916 0.626 -1.33
11 C9 C C9 S N N 0 0.395 0.275 -2.049
12 C10 C C10 S N N 0 0.517 1.128 -3.313
13 C11 C C11 N N N 0 1.609 0.494 -1.153
14 C12 C C12 S N N 0 1.473 -0.273 0.172
15 O12 O O12 N N N 0 1.402 -1.677 -0.084
16 C13 C C13 R N N 0 0.176 0.131 0.84
17 C14 C C14 S N N 0 -1.003 -0.251 -0.096
18 C15 C C15 N N N 0 -2.213 -0.009 0.813
19 C16 C C16 N N N 0 -1.742 -0.581 2.178
20 C17 C C17 R N N 0 -0.194 -0.536 2.16
21 C18 C C18 N N N 0 0.13 1.653 0.998
22 C19 C C19 N N N 0 0.541 2.604 -2.912
23 C20 C C20 R N N 0 0.325 0.291 3.337
24 C21 C C21 N N N 0 1.851 0.38 3.264
25 C22 C C22 N N N 0 -0.083 -0.377 4.651
26 C23 C C23 N N N 0 0.436 0.45 5.828
27 O25 O O25 N N N 0 -0.604 -1.235 7.105
28 C24 C C24 N N N 0 0.033 -0.208 7.122
29 O26 O O26 N N N 0 0.382 0.344 8.294
30 H11 H 1H1 N N N 0 2.664 0.96 -3.383
31 H12A H 2H1 N N N 0 1.908 1.391 -4.937
32 H21 H 1H2 N N N 0 1.698 -1.317 -3.545
33 H22 H 2H2 N N N 0 2.717 -0.953 -4.958
34 H3 H H3 N N N 0 0.696 -0.347 -6.26
35 HO3 H HO3 N N N 0 1.413 -2.523 -6.189
36 H41 H 1H4 N N N 0 -0.791 -1.223 -3.743
37 H42 H 2H4 N N N 0 -1.544 -0.793 -5.297
38 H5 H H5 N N N 0 -0.577 1.484 -5.135
39 H61 H 1H6 N N N 0 -2.819 1.035 -4.173
40 H62 H 2H6 N N N 0 -1.956 2.275 -3.233
41 H7 H H7 N N N 0 -3.031 0.614 -1.739
42 HO7 H HO7 N N N 0 -2.888 -1.141 -3.204
43 H8 H H8 N N N 0 -0.905 1.675 -1.035
44 H9 H H9 N N N 0 0.352 -0.775 -2.335
45 H111 H 1H11 N N N 0 2.503 0.151 -1.674
46 H112 H 2H11 N N N 0 1.708 1.558 -0.94
47 H12 H H12 N N N 0 2.326 -0.057 0.815
48 HO12 H HO12 N N N 0 2.222 -1.92 -0.536
49 H14 H H14 N N N 0 -0.941 -1.303 -0.374
50 H151 H 1H15 N N N 0 -3.084 -0.552 0.447
51 H152 H 2H15 N N N 0 -2.427 1.056 0.894
52 H161 H 1H16 N N N 0 -2.085 -1.609 2.291
53 H162 H 2H16 N N N 0 -2.125 0.033 2.993
54 H17 H H17 N N N 0 0.213 -1.546 2.2
55 H181 H 1H18 N N N 0 0.304 2.124 0.03
56 H182 H 2H18 N N N 0 -0.848 1.949 1.375
57 H183 H 3H18 N N N 0 0.901 1.969 1.7
58 H191 H 1H19 N N N 0 0.636 3.222 -3.805
59 H192 H 2H19 N N N 0 -0.383 2.855 -2.393
60 H193 H 3H19 N N N 0 1.389 2.787 -2.252
61 H20 H H20 N N N 0 -0.099 1.294 3.292
62 H211 H 1H21 N N N 0 2.276 -0.622 3.309
63 H212 H 2H21 N N N 0 2.143 0.856 2.328
64 H213 H 3H21 N N N 0 2.222 0.969 4.102
65 H221 H 1H22 N N N 0 -1.17 -0.44 4.703
66 H222 H 2H22 N N N 0 0.341 -1.38 4.696
67 H231 H 1H23 N N N 0 1.523 0.513 5.776
68 H232 H 2H23 N N N 0 0.011 1.452 5.783
69 H26 H H26 N N N 0 0.124 -0.078 9.124