Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : B9I

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 57


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C2 C C1 R N N 0 -2.784 -0.336 -0.472
2 C4 C C2 N Y N 0 -3.616 1.821 0.512
3 C5 C C3 N Y N 0 -1.297 1.451 0.482
4 C6 C C4 N Y N 0 -1.429 0.278 -0.243
5 O6 O O1 N N N 0 3.916 -2.38 1.526
6 C8 C C5 N Y N 0 0.945 0.204 -0.57
7 O8 O O2 N N N 0 7.027 -0.878 -0.459
8 O2 O O3 N N N 0 -2.878 -0.805 -1.85
9 O4 O O4 N N N 0 2.316 1.919 0.348
10 C7 C C6 N Y N 0 -0.307 -0.343 -0.766
11 C1 C C7 N N N 0 -3.09 -2.136 -1.85
12 C10 C C8 S N N 0 3.425 1.223 -0.223
13 C11 C C9 R N N 0 4.704 2.037 -0.008
14 C12 C C10 S N N 0 5.897 1.258 -0.569
15 C13 C C11 S N N 0 5.961 -0.114 0.108
16 C14 C C12 S N N 0 4.634 -0.845 -0.111
17 C15 C C13 N N N 0 4.667 -2.172 0.603
18 C16 C C14 N Y N 0 -0.037 2.001 0.68
19 C17 C C15 N Y N 0 -4.636 2.737 0.74
20 C18 C C16 N Y N 0 -5.908 2.495 0.248
21 C25 C C17 N Y N 0 -6.162 1.337 -0.473
22 C26 C C18 N Y N 0 -5.147 0.429 -0.7
23 C27 C C19 N Y N 0 -2.965 -1.543 0.394
24 C28 C C20 N Y N 0 -3.151 -2.634 -0.476
25 C29 C C21 N Y N 0 -3.351 -3.923 0.025
26 C3 C C22 N Y N 0 -3.875 0.668 -0.21
27 C30 C C23 N Y N 0 -3.356 -4.064 1.404
28 C31 C C24 N Y N 0 -3.172 -2.987 2.249
29 C32 C C25 N Y N 0 -2.971 -1.699 1.762
30 C9 C C26 N Y N 0 1.083 1.38 0.154
31 O1 O O5 N N N 0 -3.213 -2.822 -2.845
32 O10 O O6 N N N 0 4.591 3.291 -0.685
33 O11 O O7 N N N 0 -6.906 3.391 0.472
34 O3 O O8 N N N 0 -2.38 2.075 1.004
35 O5 O O9 N N N 0 5.531 -3.122 0.214
36 O7 O O10 N N N 0 3.563 -0.053 0.406
37 O9 O O11 N N N 0 7.104 1.977 -0.308
38 H1 H H1 N N N 0 1.817 -0.284 -0.98
39 H2 H H2 N N N 0 7.126 -1.76 -0.076
40 H3 H H3 N N N 0 -0.413 -1.258 -1.329
41 H4 H H4 N N N 0 3.257 1.085 -1.291
42 H5 H H5 N N N 0 4.85 2.211 1.058
43 H6 H H6 N N N 0 5.774 1.128 -1.645
44 H7 H H7 N N N 0 6.134 0.015 1.177
45 H8 H H8 N N N 0 4.482 -1.01 -1.178
46 H12 H H12 N N N 0 -5.347 -0.472 -1.261
47 H9 H H9 N N N 0 0.069 2.916 1.244
48 H10 H H10 N N N 0 -4.437 3.637 1.302
49 H11 H H11 N N N 0 -7.154 1.145 -0.857
50 H13 H H13 N N N 0 -3.496 -4.769 -0.631
51 H14 H H14 N N N 0 -3.508 -5.045 1.83
52 H15 H H15 N N N 0 -3.185 -3.149 3.316
53 H16 H H16 N N N 0 -2.828 -0.86 2.427
54 H17 H H17 N N N 0 3.855 3.838 -0.379
55 H18 H H18 N N N 0 -6.985 4.069 -0.212
56 H19 H H19 N N N 0 5.516 -3.957 0.702
57 H20 H H20 N N N 0 7.129 2.86 -0.702