Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : QCO

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 N1 N N1 N N N 0 1.874 0.745 -0.336
2 N3 N N2 N Y N 0 -1.696 5.575 1.765
3 C4 C C1 N Y N 0 -3.896 -1.783 0.921
4 C5 C C2 N Y N 0 -3.402 -0.499 1.028
5 C6 C C3 N Y N 0 -2.191 -0.169 0.434
6 C7 C C4 N Y N 0 -1.477 -1.133 -0.267
7 C8 C C5 N Y N 0 -1.973 -2.417 -0.373
8 C10 C C6 N N N 0 0.651 0.586 0.207
9 C13 C C7 N Y N 0 5.359 -0.691 -0.331
10 C15 C C8 N Y N 0 6.596 -2.711 -0.684
11 C17 C C9 N Y N 0 7.203 -1.232 1.099
12 C20 C C10 N Y N 0 0.121 2.058 -2.56
13 C21 C C11 N Y N 0 -0.14 1.933 -3.916
14 C22 C C12 N Y N 0 -1.219 1.173 -4.327
15 C24 C C13 N N N 0 -2.326 2.04 1.31
16 C26 C C14 N Y N 0 -2.356 4.439 2.115
17 O2 O O1 N N N 0 -3.255 1.694 2.014
18 C25 C C15 N Y N 0 -1.896 3.449 1.297
19 N4 N N3 N Y N 0 -0.969 3.997 0.47
20 C27 C C16 N Y N 0 -0.854 5.264 0.745
21 N N N4 N N N 0 -1.689 1.134 0.542
22 C3 C C17 N Y N 0 -3.183 -2.745 0.221
23 O O O2 N N N 0 -3.668 -4.012 0.121
24 C1 C C18 N N N 0 -4.898 -4.291 0.792
25 C2 C C19 N N N 0 -6.07 -3.876 -0.099
26 C C C20 N N N 0 -4.989 -5.789 1.09
27 C9 C C21 R N N 0 -0.472 1.512 -0.181
28 C19 C C22 N Y N 0 -0.717 1.411 -1.664
29 C23 C C23 N Y N 0 -1.78 0.673 -2.149
30 N2 N N5 N Y N 0 -1.995 0.572 -3.447
31 O1 O O3 N N N 0 0.455 -0.303 1.008
32 C11 C C24 N N N 0 2.966 -0.156 0.041
33 C12 C C25 N N N 0 4.235 0.235 -0.719
34 C18 C C26 N Y N 0 6.174 -0.377 0.739
35 F F F1 N N N 0 8.0 -0.926 2.146
36 C16 C C27 N Y N 0 7.412 -2.4 0.386
37 C14 C C28 N Y N 0 5.569 -1.857 -1.043
38 H1 H H1 N N N 0 2.03 1.453 -0.98
39 H2 H H2 N N N 0 -1.808 6.45 2.168
40 H3 H H3 N N N 0 -4.836 -2.041 1.387
41 H4 H H4 N N N 0 -3.957 0.25 1.573
42 H5 H H5 N N N 0 -0.535 -0.877 -0.729
43 H6 H H6 N N N 0 -1.418 -3.167 -0.918
44 H7 H H7 N N N 0 6.759 -3.623 -1.24
45 H8 H H8 N N N 0 0.959 2.641 -2.21
46 H9 H H9 N N N 0 0.491 2.423 -4.642
47 H10 H H10 N N N 0 -1.429 1.071 -5.381
48 H11 H H11 N N N 0 -3.101 4.341 2.89
49 H13 H H13 N N N 0 -0.191 5.956 0.246
50 H14 H H14 N N N 0 -4.937 -3.731 1.727
51 H15 H H15 N N N 0 -7.009 -4.089 0.413
52 H16 H H16 N N N 0 -6.006 -2.809 -0.311
53 H17 H H17 N N N 0 -6.031 -4.435 -1.034
54 H18 H H18 N N N 0 -4.153 -6.084 1.725
55 H19 H H19 N N N 0 -5.927 -6.001 1.602
56 H20 H H20 N N N 0 -4.95 -6.348 0.155
57 H21 H H21 N N N 0 -0.202 2.537 0.074
58 H22 H H22 N N N 0 -2.437 0.166 -1.459
59 H23 H H23 N N N 0 3.147 -0.079 1.113
60 H24 H H24 N N N 0 2.694 -1.181 -0.209
61 H25 H H25 N N N 0 4.507 1.261 -0.469
62 H26 H H26 N N N 0 4.055 0.158 -1.791
63 H27 H H27 N N N 0 6.01 0.534 1.295
64 H28 H H28 N N N 0 8.214 -3.068 0.667
65 H29 H H29 N N N 0 4.932 -2.102 -1.879