Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : DHT

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 C1 C C1 N N N 0 1.473 -0.559 -2.414
2 C10 C C10 S N N 0 0.308 0.076 -1.615
3 C11 C C11 N N N 0 1.675 -0.271 0.45
4 C12 C C12 N N N 0 1.698 -0.789 1.898
5 C13 C C13 S N N 0 0.572 -0.097 2.642
6 C14 C C14 S N N 0 -0.762 -0.557 1.996
7 C15 C C15 N N N 0 -1.795 -0.06 3.013
8 C16 C C16 N N N 0 -1.135 -0.405 4.376
9 C17 C C17 S N N 0 0.398 -0.468 4.111
10 C18 C C18 N N N 0 0.717 1.419 2.506
11 C19 C C19 N N N 0 0.511 1.59 -1.535
12 C2 C C2 N N N 0 1.546 0.079 -3.804
13 C3 C C3 N N N 0 0.192 -0.059 -4.464
14 C4 C C4 N N N 0 -1.024 0.408 -3.699
15 C5 C C5 S N N 0 -1.008 -0.232 -2.305
16 C6 C C6 N N N 0 -2.158 0.355 -1.483
17 C7 C C7 N N N 0 -2.152 -0.246 -0.077
18 C8 C C8 R N N 0 -0.825 0.088 0.606
19 C9 C C9 S N N 0 0.323 -0.524 -0.208
20 H11 H 1H1 N N N 0 1.3 -1.63 -2.516
21 H111 H 1H11 N N N 0 1.876 0.799 0.451
22 H112 H 2H11 N N N 0 2.451 -0.779 -0.122
23 H12 H 2H1 N N N 0 2.413 -0.392 -1.888
24 H121 H 1H12 N N N 0 2.654 -0.547 2.363
25 H122 H 2H12 N N N 0 1.542 -1.867 1.909
26 H14 H H14 N N N 0 -0.804 -1.643 1.912
27 H151 H 1H15 N N N 0 -1.945 1.014 2.917
28 H152 H 2H15 N N N 0 -2.739 -0.594 2.896
29 H161 H 1H16 N N N 0 -1.352 0.375 5.105
30 H162 H 2H16 N N N 0 -1.502 -1.366 4.737
31 H17 H H17 N N N 0 0.768 -1.48 4.278
32 H181 H 1H18 N N N 0 0.755 1.687 1.45
33 H182 H 2H18 N N N 0 -0.135 1.91 2.975
34 H183 H 3H18 N N N 0 1.636 1.742 2.996
35 H191 H 1H19 N N N 0 0.531 2.008 -2.542
36 H192 H 2H19 N N N 0 -0.308 2.037 -0.973
37 H193 H 3H19 N N N 0 1.454 1.805 -1.034
38 H21 H 1H2 N N N 0 2.301 -0.43 -4.403
39 H22 H 2H2 N N N 0 1.802 1.134 -3.71
40 H41 H 1H4 N N N 0 -1.927 0.106 -4.229
41 H42 H 2H4 N N N 0 -1.0 1.493 -3.602
42 H5 H H5 N N N 0 -1.14 -1.31 -2.397
43 H61 H 1H6 N N N 0 -3.106 0.127 -1.971
44 H62 H 2H6 N N N 0 -2.038 1.437 -1.415
45 H71 H 1H7 N N N 0 -2.265 -1.328 -0.144
46 H72 H 2H7 N N N 0 -2.976 0.172 0.5
47 H8 H H8 N N N 0 -0.701 1.169 0.67
48 H9 H H9 N N N 0 0.165 -1.6 -0.284
49 HO7 H HO7 N N N 0 0.908 0.184 5.869
50 O17 O O17 N N N 0 1.085 0.455 4.958
51 O3 O O3 N N N 0 0.086 -0.531 -5.571