Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : C8E

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 55


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 -2.283 -0.775 10.163
2 C2 C C2 N N N 0 -1.827 0.238 9.112
3 C3 C C3 N N N 0 -1.228 -0.503 7.914
4 C4 C C4 N N N 0 -0.772 0.51 6.863
5 C5 C C5 N N N 0 -0.174 -0.23 5.666
6 C6 C C6 N N N 0 0.281 0.783 4.614
7 C7 C C7 N N N 0 0.88 0.042 3.417
8 C8 C C8 N N N 0 1.336 1.055 2.366
9 O9 O O9 N N N 0 1.895 0.363 1.248
10 C10 C C10 N N N 0 2.3 1.359 0.306
11 C11 C C11 N N N 0 2.91 0.681 -0.921
12 O12 O O12 N N N 0 1.939 -0.177 -1.524
13 C13 C C13 N N N 0 2.566 -0.777 -2.659
14 C14 C C14 N N N 0 1.575 -1.714 -3.353
15 O15 O O15 N N N 0 0.433 -0.968 -3.779
16 C16 C C16 N N N 0 -0.449 -1.893 -4.416
17 C17 C C17 N N N 0 -1.7 -1.154 -4.898
18 O18 O O18 N N N 0 -1.323 -0.137 -5.828
19 C19 C C19 N N N 0 -2.527 0.512 -6.24
20 C20 C C20 N N N 0 -2.193 1.618 -7.242
21 O21 O O21 N N N 0 -1.546 1.049 -8.382
22 H11 H 1H1 N N N 0 -1.428 -1.367 10.492
23 H12 H 2H1 N N N 0 -2.709 -0.247 11.016
24 H13 H 3H1 N N N 0 -3.036 -1.434 9.73
25 H21 H 1H2 N N N 0 -2.681 0.829 8.783
26 H22 H 2H2 N N N 0 -1.074 0.896 9.544
27 H31 H 1H3 N N N 0 -0.374 -1.094 8.243
28 H32 H 2H3 N N N 0 -1.981 -1.161 7.481
29 H41 H 1H4 N N N 0 -1.627 1.102 6.534
30 H42 H 2H4 N N N 0 -0.019 1.169 7.296
31 H51 H 1H5 N N N 0 0.68 -0.822 5.995
32 H52 H 2H5 N N N 0 -0.927 -0.889 5.233
33 H61 H 1H6 N N N 0 -0.572 1.374 4.285
34 H62 H 2H6 N N N 0 1.034 1.441 5.047
35 H71 H 1H7 N N N 0 1.734 -0.549 3.746
36 H72 H 2H7 N N N 0 0.127 -0.616 2.984
37 H81 H 1H8 N N N 0 0.482 1.647 2.037
38 H82 H 2H8 N N N 0 2.089 1.714 2.799
39 H101 H 1H10 N N N 0 1.433 1.947 0.003
40 H102 H 2H10 N N N 0 3.04 2.014 0.765
41 H111 H 1H11 N N N 0 3.219 1.44 -1.64
42 H112 H 2H11 N N N 0 3.777 0.093 -0.619
43 H131 H 1H13 N N N 0 2.879 0.0 -3.355
44 H132 H 2H13 N N N 0 3.437 -1.346 -2.334
45 H141 H 1H14 N N N 0 2.053 -2.172 -4.218
46 H142 H 2H14 N N N 0 1.262 -2.492 -2.657
47 H161 H 1H16 N N N 0 0.054 -2.348 -5.268
48 H162 H 2H16 N N N 0 -0.737 -2.668 -3.706
49 H171 H 1H17 N N N 0 -2.374 -1.86 -5.384
50 H172 H 2H17 N N N 0 -2.204 -0.698 -4.046
51 H191 H 1H19 N N N 0 -3.191 -0.214 -6.709
52 H192 H 2H19 N N N 0 -3.021 0.947 -5.37
53 H201 H 1H20 N N N 0 -3.111 2.114 -7.556
54 H202 H 2H20 N N N 0 -1.529 2.345 -6.773
55 HO2 H HO2 N N N 0 -1.353 1.778 -8.987