Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

PDBeChem : Atoms of Molecule

 Molecule : SQB

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 64


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C7 C C1 N Y N 0 1.057 0.525 -0.014
2 C8 C C2 N Y N 0 1.911 1.541 -0.449
3 C9 C C3 N Y N 0 3.276 1.351 -0.424
4 C10 C C4 N Y N 0 3.803 0.144 0.035
5 C11 C C5 N Y N 0 5.271 -0.06 0.062
6 C12 C C6 N Y N 0 5.848 -0.814 1.089
7 O1 O O1 N N N 0 -0.698 -0.633 -1.903
8 C1 C C7 N Y N 0 -5.076 2.01 0.728
9 C2 C C8 N Y N 0 -3.084 2.496 1.786
10 C3 C C9 N Y N 0 -3.175 1.061 -0.16
11 C4 C C10 N Y N 0 -2.415 1.701 0.842
12 C5 C C11 N N N 0 -1.014 1.526 0.894
13 C6 C C12 N N N 0 -0.409 0.728 -0.041
14 O2 O O2 N N N 0 -4.617 -1.587 -0.463
15 O3 O O3 N N N 0 -2.687 -2.559 -1.345
16 N N N1 N N N 0 -6.446 2.174 0.676
17 C C C13 N N N 0 -7.122 3.009 1.673
18 O O O4 N N N 0 5.075 -1.36 2.063
19 C13 C C14 N N N 0 5.743 -2.116 3.076
20 C14 C C15 N Y N 0 7.226 -0.996 1.097
21 C15 C C16 N Y N 0 7.974 -0.419 0.082
22 C16 C C17 N Y N 0 7.335 0.313 -0.901
23 C17 C C18 N N N 0 8.148 0.94 -2.005
24 C18 C C19 N Y N 0 2.95 -0.871 0.47
25 C22 C C23 N N N 0 -3.827 -1.749 -1.643
26 C19 C C20 N Y N 0 1.586 -0.684 0.44
27 C20 C C21 N N N 0 -1.227 0.079 -1.068
28 C21 C C22 N N N 0 -3.362 -0.378 -2.138
29 C23 C C24 N N N 0 -5.079 -2.82 0.096
30 C24 C C25 N N N 0 -3.869 -3.704 0.419
31 C25 C C26 N N N 0 -3.018 -3.859 -0.846
32 N1 N N2 N Y N 0 -4.394 2.621 1.692
33 N2 N N3 N Y N 0 -4.49 1.247 -0.181
34 N3 N N4 N Y N 0 6.027 0.468 -0.891
35 N4 N N5 N N N 0 -2.56 0.271 -1.099
36 N5 N N6 N N N 0 -4.33 -5.024 0.87
37 CL CL CL1 N N N 0 1.254 3.043 -1.02
38 H1 H H1 N N N 0 3.937 2.136 -0.76
39 H2 H H2 N N N 0 -2.538 2.996 2.573
40 H3 H H3 N N N 0 -0.428 2.014 1.659
41 H4 H H4 N N N 0 -6.96 1.737 -0.02
42 H5 H H5 N N N 0 -8.193 3.018 1.472
43 H6 H H6 N N N 0 -6.943 2.603 2.668
44 H7 H H7 N N N 0 -6.733 4.025 1.619
45 H8 H H8 N N N 0 5.011 -2.495 3.789
46 H9 H H9 N N N 0 6.27 -2.952 2.616
47 H10 H H10 N N N 0 6.458 -1.476 3.593
48 H11 H H11 N N N 0 7.702 -1.572 1.877
49 H12 H H12 N N N 0 9.047 -0.538 0.062
50 H13 H H13 N N N 0 8.235 0.239 -2.835
51 H14 H H14 N N N 0 7.654 1.85 -2.348
52 H15 H H15 N N N 0 9.142 1.185 -1.631
53 H16 H H16 N N N 0 3.359 -1.805 0.826
54 H17 H H17 N N N 0 0.926 -1.47 0.777
55 H18 H H18 N N N 0 -2.76 -0.502 -3.038
56 H19 H H19 N N N 0 -4.231 0.24 -2.365
57 H20 H H20 N N N 0 -4.424 -2.232 -2.417
58 H21 H H21 N N N 0 -5.639 -2.62 1.01
59 H22 H H22 N N N 0 -5.723 -3.328 -0.622
60 H23 H H23 N N N 0 -3.275 -3.237 1.204
61 H24 H H24 N N N 0 -3.582 -4.407 -1.601
62 H25 H H25 N N N 0 -2.103 -4.401 -0.606
63 H26 H H26 N N N 0 -3.549 -5.624 1.089
64 H27 H H27 N N N 0 -4.953 -4.939 1.659