Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : R3Y

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 53


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 3.803 0.675 -2.555
2 C2 C C2 N Y N 0 3.189 1.268 -1.314
3 C3 C C3 N Y N 0 3.445 2.584 -0.977
4 C4 C C4 N Y N 0 2.885 3.136 0.162
5 C5 C C5 N Y N 0 2.064 2.376 0.972
6 C6 C C6 N Y N 0 1.799 1.049 0.641
7 C7 C C7 N Y N 0 2.362 0.496 -0.513
8 C11 C C8 N N N 0 4.08 -2.207 -1.146
9 C17 C C9 N Y N 0 0.919 0.228 1.507
10 C18 C C10 N Y N 0 1.305 -0.108 2.802
11 C19 C C11 N Y N 0 0.455 -0.876 3.578
12 C21 C C12 N Y N 0 -1.133 -1.003 1.879
13 C23 C C13 N Y N 0 -2.519 -0.946 -0.004
14 O29 O O1 N N N 0 -5.732 -0.813 1.102
15 C30 C C14 N N N 0 -6.375 1.263 0.025
16 C31 C C15 N N N 0 -5.762 1.896 -1.24
17 C32 C C16 N N N 0 -4.678 0.918 -1.637
18 O8 O O2 N N N 0 2.105 -0.796 -0.846
19 C9 C C17 R N N 0 2.911 -1.799 -0.225
20 N12 N N1 N N N 0 4.246 -3.667 -1.02
21 C13 C C18 N N N 0 3.252 -4.172 -0.048
22 C14 C C19 S N N 0 2.115 -3.121 -0.064
23 F16 F F1 N N N 0 1.258 -3.325 -1.151
24 N20 N N2 N Y N 0 -0.7 -1.293 3.121
25 C22 C C20 N Y N 0 -2.376 -1.386 1.232
26 S24 S S1 N Y N 0 -1.134 0.005 -0.506
27 C25 C C21 N Y N 0 -0.332 -0.227 1.04
28 C26 C C22 N N N 0 -3.722 -1.218 -0.869
29 N27 N N3 N N N 0 -4.661 -0.098 -0.765
30 C28 C C23 N N N 0 -5.574 -0.007 0.211
31 O33 O O3 N N N 0 -3.942 1.035 -2.592
32 CL34 CL CL1 N N N 0 3.215 4.79 0.575
33 H1 H H1 N N N 0 4.768 0.233 -2.307
34 H2 H H2 N N N 0 3.142 -0.094 -2.955
35 H3 H H3 N N N 0 3.943 1.458 -3.301
36 H4 H H4 N N N 0 4.087 3.184 -1.606
37 H5 H H5 N N N 0 1.629 2.81 1.86
38 H6 H H6 N N N 0 3.846 -1.949 -2.179
39 H7 H H7 N N N 0 4.994 -1.702 -0.835
40 H8 H H8 N N N 0 2.254 0.226 3.195
41 H9 H H9 N N N 0 0.751 -1.139 4.583
42 H10 H H10 N N N 0 -6.251 1.924 0.883
43 H11 H H11 N N N 0 -6.51 1.98 -2.028
44 H12 H H12 N N N 0 3.283 -1.45 0.738
45 H13 H H13 N N N 0 5.184 -3.9 -0.732
46 H15 H H15 N N N 0 2.875 -5.144 -0.363
47 H16 H H16 N N N 0 3.694 -4.24 0.946
48 H17 H H17 N N N 0 1.561 -3.131 0.875
49 H18 H H18 N N N 0 -3.127 -1.985 1.725
50 H19 H H19 N N N 0 -3.406 -1.331 -1.906
51 H20 H H20 N N N 0 -4.21 -2.134 -0.536
52 H14 H H14 N N N 0 -7.428 1.033 -0.133
53 H21 H H21 N N N 0 -5.332 2.872 -1.012