Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : C0R

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 3.057 1.593 0.448
2 C2 C C2 N N N 0 4.536 1.695 0.079
3 C3 C C3 N N N 0 5.191 0.383 0.463
4 C4 C C4 N N N 0 4.524 -0.84 0.004
5 C5 C C5 N N N 0 3.231 -0.813 -0.32
6 C6 C C6 N N N 0 2.597 -2.104 -0.805
7 C7 C C7 N N N 0 1.29 -2.329 -0.042
8 C8 C C8 S N N 0 0.393 -1.099 -0.206
9 C9 C C9 S N N 0 1.066 0.103 0.474
10 C10 C C10 R N N 0 2.385 0.406 -0.246
11 C11 C C11 S N N 0 0.178 1.344 0.438
12 C12 C C12 N N N 0 -1.21 1.069 1.037
13 C13 C C13 S N N 0 -1.821 -0.072 0.243
14 C14 C C14 S N N 0 -0.941 -1.324 0.504
15 C15 C C15 N N N 0 -1.807 -2.465 -0.019
16 C16 C C16 N N N 0 -3.27 -1.997 0.186
17 C17 C C17 S N N 0 -3.205 -0.538 0.709
18 C18 C C18 N N N 0 -1.844 0.268 -1.248
19 C19 C C19 N N N 0 2.057 0.82 -1.682
20 C20 C C20 N N N 0 -4.32 0.288 0.121
21 C21 C C21 N N N 0 -5.628 0.422 0.859
22 O1 O O1 N N N 0 6.213 0.346 1.116
23 O2 O O2 N N N 0 0.024 1.765 -0.919
24 O3 O O3 N N N 0 -4.166 0.843 -0.94
25 O4 O O4 N N N 0 -6.517 1.248 0.105
26 H11A H 1H1 N N N 0 2.968 1.468 1.527
27 H12 H 2H1 N N N 0 2.553 2.514 0.156
28 H21 H 1H2 N N N 0 4.999 2.515 0.627
29 H22 H 2H2 N N N 0 4.64 1.86 -0.994
30 H4 H H4 N N N 0 5.079 -1.763 -0.071
31 H61 H 1H6 N N N 0 3.276 -2.936 -0.62
32 H62 H 2H6 N N N 0 2.389 -2.03 -1.872
33 H71 H 1H7 N N N 0 1.508 -2.483 1.015
34 H72 H 2H7 N N N 0 0.782 -3.206 -0.441
35 H8 H H8 N N N 0 0.238 -0.889 -1.264
36 H9 H H9 N N N 0 1.279 -0.15 1.512
37 H11 H H11 N N N 0 0.659 2.141 1.005
38 H121 H 1H12 N N N 0 -1.834 1.958 0.951
39 H122 H 2H12 N N N 0 -1.112 0.782 2.084
40 H14 H H14 N N N 0 -0.772 -1.45 1.574
41 H151 H 1H15 N N N 0 -1.61 -2.635 -1.077
42 H152 H 2H15 N N N 0 -1.619 -3.375 0.552
43 H161 H 1H16 N N N 0 -3.801 -2.002 -0.766
44 H162 H 2H16 N N N 0 -3.775 -2.647 0.9
45 H17 H H17 N N N 0 -3.244 -0.517 1.798
46 H181 H 1H18 N N N 0 -0.83 0.228 -1.646
47 H182 H 2H18 N N N 0 -2.469 -0.453 -1.775
48 H183 H 3H18 N N N 0 -2.25 1.27 -1.387
49 H191 H 1H19 N N N 0 2.948 0.721 -2.302
50 H192 H 2H19 N N N 0 1.268 0.178 -2.074
51 H193 H 3H19 N N N 0 1.72 1.857 -1.693
52 H211 H 1H21 N N N 0 -6.073 -0.564 0.992
53 H212 H 2H21 N N N 0 -5.45 0.875 1.834
54 HO2 H HO2 N N N 0 -0.512 2.57 -0.903
55 HO4 H HO4 N N N 0 -7.339 1.308 0.611