Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : B9X

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 58


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 O9 O O1 N N N 0 -2.099 0.814 1.707
2 C10 C C1 N N N 0 -2.182 0.7 0.507
3 O1 O O2 N N N 0 -1.069 0.644 -0.241
4 C5 C C2 S N N 0 0.201 0.726 0.459
5 C8 C C3 R N N 0 1.27 1.38 -0.437
6 C9 C C4 N N N 0 1.798 2.653 0.228
7 P P P1 N N N 0 3.448 4.691 -0.286
8 O O O3 N N N 0 2.338 0.43 -0.59
9 C7 C C5 R N N 0 1.762 -0.883 -0.424
10 C6 C C6 N N N 0 0.757 -0.692 0.741
11 N2 N N1 N Y N 0 2.793 -1.857 -0.059
12 C1 C C7 N Y N 0 2.737 -3.213 -0.26
13 N1 N N2 N Y N 0 1.847 -4.047 -0.788
14 C C C8 N Y N 0 2.088 -5.341 -0.839
15 C4 C C9 N Y N 0 3.989 -1.581 0.536
16 N3 N N3 N Y N 0 4.66 -2.682 0.715
17 C2 C C10 N Y N 0 3.942 -3.73 0.245
18 C3 C C11 N Y N 0 4.153 -5.117 0.168
19 N4 N N4 N N N 0 5.321 -5.683 0.648
20 N N N5 N Y N 0 3.205 -5.872 -0.377
21 C11 C C12 N N N 0 -3.536 0.615 -0.15
22 C12 C C13 N N N 0 -4.627 0.697 0.919
23 O6 O O4 N N N 0 -5.911 0.616 0.296
24 C13 C C14 N N N 0 -7.006 0.683 1.212
25 C14 C C15 N N N 0 -8.323 0.587 0.439
26 O7 O O5 N N N 0 -8.423 -0.698 -0.176
27 C15 C C16 N N N 0 -9.623 -0.892 -0.927
28 C16 C C17 N N N 0 -9.622 -2.295 -1.537
29 O10 O O6 N N N 0 2.701 3.314 -0.66
30 O11 O O7 N N N 0 4.483 5.076 -1.458
31 O12 O O8 N N N 0 2.359 5.865 -0.125
32 H1 H H1 N N N 0 0.087 1.285 1.388
33 H2 H H2 N N N 0 0.842 1.617 -1.411
34 H3 H H3 N N N 0 0.963 3.316 0.456
35 H4 H H4 N N N 0 2.318 2.393 1.149
36 H5 H H5 N N N 0 1.246 -1.194 -1.332
37 H6 H H6 N N N 0 1.266 -0.725 1.704
38 H7 H H7 N N N 0 -0.038 -1.437 0.696
39 H8 H H8 N N N 0 1.344 -5.991 -1.275
40 H9 H H9 N N N 0 4.328 -0.595 0.816
41 H10 H H10 N N N 0 6.005 -5.121 1.044
42 H11 H H11 N N N 0 5.455 -6.642 0.589
43 H12 H H12 N N N 0 -3.652 1.442 -0.851
44 H13 H H13 N N N 0 -3.621 -0.33 -0.685
45 H14 H H14 N N N 0 -4.511 -0.13 1.62
46 H15 H H15 N N N 0 -4.542 1.642 1.454
47 H16 H H16 N N N 0 -6.939 -0.144 1.919
48 H17 H H17 N N N 0 -6.97 1.628 1.753
49 H18 H H18 N N N 0 -9.158 0.727 1.126
50 H19 H H19 N N N 0 -8.351 1.361 -0.329
51 H20 H H20 N N N 0 -10.485 -0.783 -0.269
52 H21 H H21 N N N 0 -9.677 -0.15 -1.723
53 H22 H H22 N N N 0 -9.567 -3.038 -0.741
54 H23 H H23 N N N 0 -10.537 -2.443 -2.11
55 H24 H H24 N N N 0 -8.76 -2.404 -2.196
56 H25 H H25 N N N 0 4.969 5.896 -1.3
57 H26 H H26 N N N 0 1.838 6.031 -0.923
58 O2 O O9 N N N 0 4.184 4.523 0.986