Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 1R4

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 54


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C02 C C02 N N N 0 -2.359 -2.47 0.343
2 C03 C C03 R N N 0 -1.67 -1.235 -0.178
3 C05 C C05 N N N 0 -3.349 0.523 -0.015
4 C06 C C06 N N N 0 -3.927 1.742 0.657
5 C07 C C07 N N N 0 -5.184 2.19 -0.093
6 C08 C C08 S N N 0 -5.771 3.427 0.59
7 C09 C C09 N N N 0 -6.935 3.941 -0.218
8 C14 C C14 N N N 0 -0.173 -1.321 0.123
9 C16 C C16 N N N 0 2.392 -0.118 -0.06
10 C17 C C17 N N N 0 3.226 1.05 -0.522
11 C18 C C18 N Y N 0 4.677 1.06 -0.278
12 C19 C C19 N Y N 0 5.454 2.142 -0.705
13 C20 C C20 N Y N 0 6.813 2.144 -0.473
14 C21 C C21 N Y N 0 7.409 1.079 0.18
15 C25 C C25 N Y N 0 6.647 0.0050 0.606
16 C26 C C26 N Y N 0 5.286 -0.01 0.386
17 C29 C C29 N N N 0 -2.665 -4.887 0.396
18 C30 C C30 N N N 0 -2.083 -6.106 -0.271
19 H01 H H01 N N N 0 -6.562 3.885 2.434
20 H011 H H011 N N N 0 -6.939 2.355 1.903
21 H031 H H031 N N N 0 -1.821 -1.162 -1.255
22 H041 H H041 N N N 0 -1.801 0.322 1.26
23 H061 H H061 N N N 0 -3.192 2.546 0.646
24 H062 H H062 N N N 0 -4.186 1.5 1.688
25 H071 H H071 N N N 0 -5.919 1.385 -0.081
26 H072 H H072 N N N 0 -4.925 2.431 -1.123
27 H081 H H081 N N N 0 -5.006 4.201 0.658
28 H1 H H1 N N N 0 -7.495 4.995 -1.796
29 H141 H H141 N N N 0 -0.022 -1.394 1.2
30 H142 H H142 N N N 0 0.245 -2.203 -0.363
31 H161 H H161 N N N 0 2.479 -0.221 1.021
32 H162 H H162 N N N 0 2.747 -1.03 -0.542
33 H191 H H191 N N N 0 4.991 2.973 -1.215
34 H2 H H2 N N N 0 -2.139 -8.079 -0.411
35 H201 H H201 N N N 0 7.415 2.978 -0.802
36 H251 H H251 N N N 0 7.119 -0.822 1.115
37 H261 H H261 N N N 0 4.693 -0.849 0.719
38 H281 H H281 N N N 0 -1.301 -3.766 -0.782
39 H291 H H291 N N N 0 -3.733 -4.83 0.182
40 H292 H H292 N N N 0 -2.514 -4.956 1.474
41 N01 N N01 N N N 0 -6.229 3.071 1.939
42 N04 N N04 N N N 0 -2.232 -0.05 0.475
43 N22 N N22 N N N 1 8.869 1.089 0.425
44 N28 N N28 N N N 0 -2.0 -3.686 -0.115
45 O01 O O01 N N N 0 -3.233 -2.37 1.178
46 O10 O O10 N N N 0 -8.066 3.68 0.12
47 O11 O O11 N N N 0 -6.717 4.688 -1.311
48 O13 O O13 N N N 0 -3.889 0.058 -0.996
49 O23 O O23 N N N -1 9.396 0.153 0.999
50 O24 O O24 N N N 0 9.542 2.033 0.052
51 O27 O O27 N N N 0 2.701 1.981 -1.094
52 O31 O O31 N N N 0 -2.543 -7.327 0.043
53 O32 O O32 N N N 0 -1.203 -5.984 -1.09
54 S15 S S15 N N N 0 0.657 0.165 -0.504