Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : QUD

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 72


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N Y N 0 -8.061 0.655 0.713
2 C2 C C2 N Y N 0 -7.087 0.171 -0.14
3 C3 C C3 N Y N 0 -7.776 1.704 1.567
4 C4 C C4 N Y N 0 -2.417 1.497 -2.274
5 C5 C C5 N Y N 0 -5.826 0.734 -0.141
6 C6 C C6 N Y N 0 -6.517 2.272 1.57
7 C7 C C7 N Y N 0 -3.356 2.042 -1.452
8 C8 C C8 N Y N 0 -2.393 0.977 0.477
9 C9 C C9 N Y N 0 -1.413 0.401 -0.344
10 C10 C C10 N Y N 0 -1.424 0.664 -1.738
11 C11 C C11 N Y N 0 -5.537 1.788 0.715
12 C12 C C12 N Y N 0 -3.346 1.784 -0.078
13 C13 C C13 N Y N 0 0.438 -0.674 -1.967
14 C14 C C14 N N N 0 3.865 0.794 1.103
15 C15 C C15 N Y N 0 -0.408 -0.437 0.171
16 C16 C C16 N N N 0 7.092 3.319 -0.22
17 C17 C C17 N N N 0 0.477 -5.978 0.407
18 C18 C C18 N N N 0 6.216 3.812 0.934
19 C19 C C19 N N N 0 6.212 2.656 -1.281
20 C20 C C20 N N N 0 -0.626 -5.003 -0.009
21 C21 C C21 N N N 0 1.374 -5.316 1.455
22 C22 C C22 N N N 0 5.475 2.625 1.554
23 C23 C C23 N N N 0 5.471 1.47 -0.661
24 C24 C C24 N N N 0 0.004 -3.741 -0.601
25 C25 C C25 N N N 0 2.005 -4.054 0.863
26 C26 C C26 N N N 0 4.595 1.962 0.492
27 C27 C C27 N N N 0 0.901 -3.079 0.448
28 C28 C C28 N N N 0 2.316 -1.081 0.944
29 C29 C C29 R N N 0 1.532 -1.817 -0.144
30 N30 N N30 N Y N 1 0.478 -0.941 -0.663
31 N31 N N31 N Y N 0 -0.48 0.104 -2.506
32 N32 N N32 N N N 0 1.399 -1.236 -2.789
33 N33 N N33 N N N 0 3.026 0.055 0.35
34 O34 O O34 N N N 0 4.032 0.519 2.272
35 O35 O O35 N N N 0 -4.297 2.344 0.716
36 H1 H H1 N N N 0 -9.048 0.216 0.709
37 H2 H H2 N N N 0 -7.312 -0.649 -0.806
38 H3 H H3 N N N 0 -8.539 2.081 2.232
39 H5 H H5 N N N 0 -5.065 0.356 -0.808
40 H6 H H6 N N N 0 -6.295 3.092 2.237
41 H4 H H4 N N N 0 -2.44 1.702 -3.334
42 H7 H H7 N N N 0 -4.119 2.684 -1.868
43 H8 H H8 N N N 0 -2.395 0.785 1.54
44 H15 H H15 N N N 0 -0.363 -0.662 1.227
45 H321 H H321 N N N 0 1.222 -1.346 -3.737
46 H322 H H322 N N N 0 2.249 -1.519 -2.418
47 H26 H H26 N N N 0 3.872 2.686 0.116
48 H33 H H33 N N N 0 2.893 0.275 -0.585
49 H161 H H161 N N N 0 7.62 4.164 -0.661
50 H162 H H162 N N N 0 7.815 2.595 0.157
51 H181 H H181 N N N 0 6.843 4.284 1.69
52 H182 H H182 N N N 0 5.493 4.535 0.558
53 H191 H H191 N N N 0 5.489 3.38 -1.657
54 H192 H H192 N N N 0 6.836 2.305 -2.103
55 H171 H H171 N N N 0 0.028 -6.877 0.828
56 H172 H H172 N N N 0 1.074 -6.244 -0.466
57 H201 H H201 N N N 0 -1.265 -5.474 -0.756
58 H202 H H202 N N N 0 -1.223 -4.736 0.863
59 H211 H H211 N N N 0 0.777 -5.049 2.327
60 H212 H H212 N N N 0 2.16 -6.01 1.751
61 H221 H H221 N N N 0 6.198 1.902 1.93
62 H222 H H222 N N N 0 4.851 2.976 2.376
63 H231 H H231 N N N 0 4.844 0.998 -1.418
64 H232 H H232 N N N 0 6.194 0.746 -0.285
65 H241 H H241 N N N 0 0.601 -4.007 -1.473
66 H242 H H242 N N N 0 -0.782 -3.046 -0.897
67 H251 H H251 N N N 0 2.644 -3.582 1.61
68 H252 H H252 N N N 0 2.601 -4.32 -0.009
69 H27 H H27 N N N 0 0.304 -2.812 1.32
70 H29 H H29 N N N 0 2.206 -2.093 -0.955
71 H281 H H281 N N N 0 1.628 -0.72 1.707
72 H282 H H282 N N N 0 3.036 -1.763 1.397