Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 9B9

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 74


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C16 C C1 N Y N 0 1.606 -1.671 -0.624
2 C12 C C2 N N N 0 -8.507 4.734 -0.653
3 C11 C C3 S N N 0 -6.888 3.011 -0.613
4 C10 C C4 N N N 0 -6.394 1.834 0.188
5 C15 C C5 N N N 0 -3.256 -0.178 0.365
6 C14 C C6 N N N 0 -6.137 4.304 -0.205
7 C13 C C7 S N N 0 -7.13 5.42 -0.601
8 C6 C C8 N N N 0 -6.382 -5.597 0.624
9 C9 C C9 R N N 0 -4.765 0.074 0.621
10 C1 C C10 N N N 0 0.257 -2.232 -0.836
11 C2 C C11 N N N 0 -2.128 -2.312 -0.346
12 C7 C C12 N N N 0 -6.272 -5.055 -0.803
13 C3 C C13 R N N 0 -3.104 -1.687 0.653
14 C4 C C14 N N N 0 -4.727 -3.598 0.691
15 C5 C C15 N N N 0 -6.112 -4.109 0.389
16 O1 O O1 N N N 0 0.091 -3.125 -1.644
17 N1 N N1 N N N 0 -0.79 -1.755 -0.135
18 N2 N N2 N N N 0 -4.433 -2.296 0.502
19 O2 O O2 N N N 0 -3.876 -4.358 1.103
20 C8 C C16 N N N 0 -5.392 -1.247 0.111
21 N3 N N3 N N N 0 -5.246 1.219 -0.157
22 N4 N N4 N N N 0 -8.301 3.319 -0.275
23 F1 F F1 N N N 0 -7.129 6.436 0.361
24 O3 O O3 N N N 0 -7.029 1.441 1.143
25 C17 C C17 N Y N 0 1.798 -0.648 0.31
26 C18 C C18 N Y N 0 3.046 -0.132 0.511
27 C19 C C19 N Y N 0 4.134 -0.628 -0.217
28 C20 C C20 N N N 0 5.443 -0.088 -0.006
29 C21 C C21 N N N 0 6.516 0.355 0.167
30 C22 C C22 N N N 0 7.776 0.874 0.369
31 C23 C C23 N N N 0 8.849 1.317 0.542
32 C24 C C24 R N N 0 10.195 1.872 0.759
33 C25 C C25 N N N 0 10.813 2.69 -0.377
34 C26 C C26 R N N 0 11.342 1.287 -0.068
35 C27 C C27 N N N 0 12.713 1.181 0.602
36 O4 O O4 N N N 0 13.621 0.511 -0.275
37 C28 C C28 N N N 0 14.938 0.359 0.258
38 C29 C C29 N Y N 0 3.941 -1.652 -1.151
39 C30 C C30 N Y N 0 2.692 -2.167 -1.352
40 H1 H H1 N N N 0 -9.187 5.211 0.053
41 H2 H H2 N N N 0 -8.916 4.796 -1.661
42 H3 H H3 N N N 0 -6.777 2.823 -1.68
43 H4 H H4 N N N 0 -2.998 0.045 -0.67
44 H5 H H5 N N N 0 -2.643 0.409 1.049
45 H6 H H6 N N N 0 -5.949 4.318 0.869
46 H7 H H7 N N N 0 -5.205 4.401 -0.762
47 H8 H H8 N N N 0 -6.873 5.826 -1.58
48 H9 H H9 N N N 0 -7.373 -5.878 0.98
49 H10 H H10 N N N 0 -5.558 -6.206 0.997
50 H11 H H11 N N N 0 -4.963 0.216 1.684
51 H12 H H12 N N N 0 -2.1 -3.391 -0.199
52 H13 H H13 N N N 0 -2.457 -2.092 -1.361
53 H14 H H14 N N N 0 -5.375 -5.308 -1.369
54 H15 H H15 N N N 0 -7.19 -4.981 -1.385
55 H16 H H16 N N N 0 -2.739 -1.835 1.67
56 H17 H H17 N N N 0 -6.925 -3.412 0.591
57 H18 H H18 N N N 0 -0.657 -1.042 0.51
58 H19 H H19 N N N 0 -6.357 -1.418 0.588
59 H20 H H20 N N N 0 -5.504 -1.22 -0.974
60 H21 H H21 N N N 0 -4.737 1.533 -0.921
61 H22 H H22 N N N 0 -8.933 2.714 -0.779
62 H24 H H24 N N N 0 0.958 -0.265 0.872
63 H25 H H25 N N N 0 3.194 0.659 1.232
64 H26 H H26 N N N 0 10.418 2.18 1.781
65 H27 H H27 N N N 0 10.224 2.816 -1.285
66 H28 H H28 N N N 0 11.442 3.537 -0.103
67 H29 H H29 N N N 0 11.1 0.491 -0.772
68 H30 H H30 N N N 0 13.09 2.181 0.82
69 H31 H H31 N N N 0 12.622 0.617 1.53
70 H32 H H32 N N N 0 15.566 -0.159 -0.467
71 H33 H H33 N N N 0 15.361 1.341 0.469
72 H34 H H34 N N N 0 14.893 -0.223 1.179
73 H35 H H35 N N N 0 4.779 -2.036 -1.714
74 H36 H H36 N N N 0 2.543 -2.96 -2.069