Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 627

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 65


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C10 C C10 N Y N 0 -5.573 1.666 0.236
2 C11 C C11 N Y N 0 -4.658 -0.554 0.477
3 C12 C C12 N Y N 0 -3.394 -0.062 0.245
4 C13 C C13 N Y N 0 2.698 1.605 -0.754
5 C14 C C14 N Y N 0 1.681 0.758 -0.494
6 C15 C C15 N N N 0 2.223 -0.64 -0.335
7 C16 C C16 N N N 0 3.994 0.834 -0.787
8 C18 C C18 N N N 0 -6.992 -1.645 0.94
9 C19 C C19 N N N 0 -8.4 -2.143 1.272
10 C20 C C20 R N N 0 6.002 -1.377 -0.784
11 C21 C C21 N N N 0 -9.345 -0.359 -0.064
12 C22 C C22 N N N 0 -7.937 0.138 -0.396
13 C23 C C23 N N N 0 -8.929 -2.527 -1.06
14 C24 C C24 N Y N 0 -5.753 0.306 0.476
15 C25 C C25 N N N 0 4.548 -1.6 -0.456
16 C27 C C27 N Y N 0 6.642 -0.559 0.308
17 C28 C C28 N Y N 0 6.914 0.78 0.1
18 C29 C C29 N Y N 0 6.953 -1.147 1.52
19 C3 C C3 N Y N 0 0.49 1.507 -0.471
20 C31 C C31 N Y N 0 7.497 1.531 1.103
21 C33 C C33 N Y N 0 7.536 -0.396 2.523
22 C35 C C35 N Y N 0 7.807 0.944 2.315
23 C36 C C36 N N N 0 7.767 -2.641 -1.798
24 C6 C C6 N N N 0 -1.856 1.834 -0.24
25 C7 C C7 N Y N 0 -3.21 1.303 0.0090
26 C9 C C9 N Y N 0 -4.312 2.164 0.0040
27 H10 H H10 N N N 0 -6.425 2.33 0.232
28 H11 H H11 N N N 0 -4.801 -1.609 0.659
29 H12 H H12 N N N 0 -2.546 -0.73 0.245
30 H15 H H15 N N N 0 1.783 -1.296 -1.086
31 H151 H H151 N N N 0 1.995 -1.014 0.664
32 H16 H H16 N N N 0 4.669 1.212 -0.019
33 H161 H H161 N N N 0 4.457 0.93 -1.769
34 H181 H H181 N N N 0 -6.631 -2.146 0.041
35 H182 H H182 N N N 0 -6.323 -1.865 1.772
36 H191 H H191 N N N 0 -8.38 -3.224 1.413
37 H192 H H192 N N N 0 -8.75 -1.663 2.186
38 H20 H H20 N N N 0 6.083 -0.844 -1.731
39 H211 H H211 N N N 0 -10.014 -0.139 -0.896
40 H212 H H212 N N N 0 -9.705 0.141 0.835
41 H221 H H221 N N N 0 -7.957 1.219 -0.537
42 H222 H H222 N N N 0 -7.587 -0.342 -1.31
43 H231 H H231 N N N 0 -8.975 -3.601 -0.881
44 H232 H H232 N N N 0 -9.617 -2.263 -1.863
45 H233 H H233 N N N 0 -7.915 -2.249 -1.345
46 H28 H H28 N N N 0 6.672 1.24 -0.847
47 H29 H H29 N N N 0 6.74 -2.193 1.683
48 H31 H H31 N N N 0 7.71 2.578 0.94
49 H33 H H33 N N N 0 7.778 -0.855 3.47
50 H35 H H35 N N N 0 8.263 1.53 3.099
51 H361 H H361 N N N 0 8.217 -3.634 -1.819
52 H362 H H362 N N N 0 7.414 -2.381 -2.796
53 H363 H H363 N N N 0 8.509 -1.912 -1.474
54 H9 H H9 N N N 0 -4.173 3.219 -0.182
55 HN2 H HN2 N N N 0 2.681 3.655 -1.082
56 HN5 H HN5 N N N 0 -0.922 0.056 -0.067
57 N1 N N1 N N N 0 3.677 -0.574 -0.521
58 N17 N N17 N N N 0 -7.029 -0.194 0.711
59 N2 N N2 N Y N 0 2.18 2.846 -0.891
60 N20 N N20 N N N 0 -9.308 -1.811 0.165
61 N4 N N4 N Y N 0 0.795 2.76 -0.709
62 N5 N N5 N N N 0 -0.795 1.003 -0.234
63 O26 O O26 N N N 0 4.161 -2.704 -0.134
64 O34 O O34 N N N 0 6.666 -2.638 -0.887
65 O8 O O8 N N N 0 -1.698 3.021 -0.45