Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : NDR

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 48


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 O22 O O22 N N N 0 -5.766 0.482 -1.056
2 C21 C C21 N N N 0 -4.799 0.343 -0.337
3 C20 C C20 N N N 0 -4.31 1.456 0.569
4 C19 C C19 N N N 0 -4.043 -0.914 -0.294
5 C17 C C17 N N N 0 -2.785 -0.921 0.146
6 C15 C C15 N N N 0 -2.058 -2.253 0.185
7 C14 C C14 R N N 0 -2.064 0.306 0.612
8 C18 C C18 N N N 0 -2.807 1.606 0.34
9 C8 C C8 S N N 0 -0.673 0.371 -0.03
10 C3 C C3 R N N 0 0.069 -0.95 0.221
11 C9 C C9 N N N 0 -0.687 -2.086 -0.473
12 C13 C C13 N N N 0 0.086 1.565 0.54
13 C6 C C6 N N N 0 1.533 1.618 0.023
14 C2 C C2 S N N 0 2.191 0.305 0.401
15 C1 C C1 S N N 0 1.457 -0.817 -0.38
16 C7 C C7 N N N 0 2.049 0.068 1.906
17 C5 C C5 R N N 0 3.647 0.13 -0.019
18 O12 O O12 N N N 0 4.519 0.506 1.048
19 C10 C C10 N N N 0 3.804 -1.379 -0.333
20 C4 C C4 N N N 0 2.394 -2.01 -0.166
21 C11 C C11 N N N 0 3.932 0.935 -1.218
22 C16 C C16 N N N 0 4.159 1.577 -2.174
23 H201 H H201 N N N 0 -4.818 2.387 0.319
24 H202 H H202 N N N 0 -4.502 1.197 1.611
25 H19 H H19 N N N 0 -4.506 -1.834 -0.619
26 H151 H H151 N N N 0 -1.931 -2.57 1.22
27 H152 H H152 N N N 0 -2.636 -3.0 -0.359
28 H181 H H181 N N N 0 -2.634 1.903 -0.695
29 H182 H H182 N N N 0 -2.422 2.382 1.001
30 H91 H H91 N N N 0 -0.121 -3.013 -0.376
31 H92 H H92 N N N 0 -0.816 -1.847 -1.528
32 H131 H H131 N N N 0 -0.427 2.483 0.254
33 H132 H H132 N N N 0 0.1 1.491 1.628
34 H61 H H61 N N N 0 1.536 1.737 -1.06
35 H62 H H62 N N N 0 2.064 2.448 0.49
36 H71 H H71 N N N 0 0.992 0.017 2.168
37 H72 H H72 N N N 0 2.535 -0.871 2.174
38 H73 H H73 N N N 0 2.519 0.888 2.449
39 H12 H H12 N N N 0 5.459 0.416 0.839
40 H101 H H101 N N N 0 4.155 -1.514 -1.357
41 H102 H H102 N N N 0 4.504 -1.836 0.366
42 H41 H H41 N N N 0 2.272 -2.421 0.837
43 H42 H H42 N N N 0 2.222 -2.777 -0.921
44 H16 H H16 N N N 0 4.363 2.151 -3.03
45 H26 H H26 N N N 0 1.387 -0.561 -1.438
46 H23 H H23 N N N 0 -1.92 0.224 1.69
47 H24 H H24 N N N 0 -0.786 0.515 -1.105
48 H25 H H25 N N N 0 0.133 -1.143 1.292