Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : QH4

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 80


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C18 C C1 N N N 0 4.293 -2.68 1.888
2 N5 N N1 N Y N 0 1.209 1.227 -0.058
3 C16 C C5 S N N 0 3.517 -2.454 0.589
4 C14 C C2 N N N 0 3.9 -1.667 -1.78
5 C13 C C3 N N N 0 2.912 -0.528 -1.508
6 C17 C C4 N N N 0 2.544 -1.284 0.767
7 N3 N N2 N Y N 0 -1.024 1.817 -0.077
8 C10 C C6 N N N 0 -2.857 0.277 -0.574
9 C8 C C7 N N N 0 -2.203 -1.875 -1.444
10 C22 C C8 N N N 0 0.793 7.768 0.003
11 C7 C C9 N N N 0 -0.773 -1.807 -0.904
12 C6 C C10 N Y N 0 0.912 -0.03 -0.373
13 C1 C C11 N Y N 0 -0.428 -0.386 -0.551
14 C4 C C12 N Y N 0 0.25 2.127 0.086
15 C19 C C13 N N N 0 -0.488 4.334 0.553
16 C20 C C14 S N N 0 0.079 5.708 0.917
17 C2 C C15 N Y N 0 -1.394 0.58 -0.395
18 N9 N N3 N N N 0 -3.092 -1.169 -0.508
19 O11 O O1 N N N 0 0.584 3.399 0.409
20 N12 N N4 N N N 0 1.916 -0.973 -0.524
21 N15 N N5 N N N 0 4.455 -2.121 -0.495
22 N21 N N6 N N N 0 0.779 6.311 -0.246
23 C23 C C16 N N N 0 -0.4 8.081 0.925
24 C24 C C17 N N N 0 -1.065 6.713 1.202
25 C25 C C18 N N N 0 2.145 5.784 -0.37
26 C26 C C19 N Y N 0 -4.427 -1.47 -0.764
27 C27 C C20 N Y N 0 -4.981 -1.185 -1.994
28 C28 C C21 N Y N 0 -6.315 -1.482 -2.26
29 C29 C C22 N Y N 0 -7.108 -2.061 -1.317
30 C30 C C23 N Y N 0 -6.582 -2.368 -0.051
31 C34 C C27 N Y N 0 -5.502 -2.959 2.435
32 C31 C C24 N Y N 0 -5.225 -2.076 0.231
33 C32 C C25 N Y N 0 -7.377 -2.967 0.942
34 C33 C C26 N Y N 0 -6.836 -3.252 2.158
35 C35 C C28 N Y N 0 -4.699 -2.389 1.494
36 C36 C C29 N N N 0 5.786 -2.23 -0.316
37 O37 O O2 N N N 0 6.223 -2.689 0.718
38 C38 C C30 N N N 0 6.731 -1.78 -1.4
39 C39 C C31 N N N 0 8.174 -2.01 -0.946
40 C40 C C32 N N N 0 4.902 -4.02 1.869
41 N41 N N7 N N N 0 5.372 -5.054 1.855
42 H1 H H1 N N N 0 5.076 -1.926 1.98
43 H2 H H2 N N N 0 3.613 -2.602 2.736
44 H3 H H3 N N N 0 3.382 -2.493 -2.267
45 H4 H H4 N N N 0 4.707 -1.311 -2.421
46 H5 H H5 N N N 0 3.451 0.335 -1.116
47 H6 H H6 N N N 0 2.41 -0.253 -2.436
48 H7 H H7 N N N 0 1.775 -1.557 1.489
49 H8 H H8 N N N 0 3.088 -0.41 1.127
50 H9 H H9 N N N 0 2.962 -3.356 0.332
51 H10 H H10 N N N 0 -3.426 0.771 0.214
52 H11 H H11 N N N 0 -3.186 0.65 -1.544
53 H12 H H12 N N N 0 -2.247 -1.397 -2.423
54 H13 H H13 N N N 0 -2.513 -2.917 -1.529
55 H14 H H14 N N N 0 1.725 8.052 0.493
56 H15 H H15 N N N 0 0.688 8.31 -0.937
57 H16 H H16 N N N 0 -0.692 -2.431 -0.014
58 H17 H H17 N N N 0 -0.081 -2.17 -1.664
59 H18 H H18 N N N 0 -1.16 3.997 1.343
60 H19 H H19 N N N 0 -1.037 4.404 -0.386
61 H20 H H20 N N N 0 0.748 5.632 1.774
62 H22 H H22 N N N 0 -0.052 8.528 1.856
63 H23 H H23 N N N 0 -1.102 8.747 0.423
64 H24 H H24 N N N 0 -1.903 6.547 0.525
65 H25 H H25 N N N 0 -1.388 6.645 2.241
66 H26 H H26 N N N 0 2.692 5.973 0.553
67 H27 H H27 N N N 0 2.105 4.711 -0.555
68 H28 H H28 N N N 0 2.651 6.278 -1.2
69 H29 H H29 N N N 0 -4.374 -0.725 -2.76
70 H30 H H30 N N N 0 -6.727 -1.249 -3.231
71 H31 H H31 N N N 0 -8.141 -2.283 -1.542
72 H32 H H32 N N N 0 -8.413 -3.199 0.742
73 H33 H H33 N N N 0 -7.449 -3.711 2.919
74 H34 H H34 N N N 0 -5.096 -3.195 3.408
75 H35 H H35 N N N 0 -3.667 -2.168 1.723
76 H36 H H36 N N N 0 6.541 -2.351 -2.308
77 H37 H H37 N N N 0 6.578 -0.719 -1.598
78 H38 H H38 N N N 0 8.858 -1.684 -1.73
79 H39 H H39 N N N 0 8.365 -1.439 -0.037
80 H40 H H40 N N N 0 8.328 -3.071 -0.747