Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : XRB

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 N N N1 N N N 0 -9.79 4.573 1.239
2 C C C1 N N N 0 -5.756 -1.771 -2.503
3 O O O1 N N N 0 -4.808 -2.718 -0.019
4 C1 C C2 N Y N 0 -6.087 -1.095 -1.197
5 C10 C C3 N Y N 0 -5.59 -1.608 -0.005
6 C11 C C4 N Y N 0 -3.468 -2.551 -0.136
7 C12 C C5 N Y N 0 -2.617 -3.655 -0.156
8 C13 C C6 N Y N 0 -1.257 -3.437 -0.277
9 C14 C C7 N Y N 0 -1.639 -1.166 -0.346
10 C15 C C8 N Y N 0 0.257 0.323 -0.45
11 C16 C C9 N Y N 0 0.802 1.352 -1.196
12 C17 C C10 N Y N 0 2.184 1.56 -1.191
13 C18 C C11 N N N 0 2.756 2.623 -1.96
14 C19 C C12 N Y N 0 3.009 0.72 -0.426
15 C2 C C13 N Y N 0 -6.876 0.034 -1.188
16 C20 C C14 N N N 0 4.867 1.195 0.946
17 C21 C C15 N N N 0 6.349 1.584 0.892
18 C22 C C16 N N N 0 7.818 -1.564 1.791
19 C23 C C17 N N N 0 6.579 0.1 -1.137
20 C24 C C18 N N N 0 5.089 -0.23 -1.003
21 C25 C C19 N Y N 0 2.446 -0.309 0.317
22 C26 C C20 N Y N 0 1.081 -0.506 0.306
23 C3 C C21 N Y N 0 -7.182 0.66 0.025
24 C4 C C22 N N N 0 -8.025 1.865 0.041
25 C5 C C23 N N N 0 -8.319 2.468 1.212
26 C6 C C24 N N N 0 -9.139 3.642 1.227
27 C7 C C25 N Y N 0 -6.685 0.136 1.224
28 C8 C C26 N Y N 0 -5.892 -0.99 1.203
29 C9 C C27 N N N 0 -5.351 -1.552 2.492
30 N1 N N2 N Y N 0 -0.806 -2.196 -0.369
31 N2 N N3 N N N 0 -1.129 0.118 -0.45
32 N3 N N4 N N N 0 3.209 3.467 -2.571
33 N4 N N5 N N N 0 4.387 0.918 -0.414
34 N5 N N6 N N N 0 7.083 0.529 0.176
35 N6 N N7 N Y N 0 -2.948 -1.334 -0.237
36 O1 O O2 N N N 0 8.957 0.847 1.696
37 O2 O O3 N N N 0 9.182 -0.608 -0.292
38 S S S1 N N N 0 8.44 -0.156 0.832
39 H1 H H1 N N N 0 -4.838 -1.347 -2.909
40 H2 H H2 N N N 0 -5.62 -2.839 -2.334
41 H3 H H3 N N N 0 -6.572 -1.616 -3.209
42 H4 H H4 N N N 0 -3.011 -4.657 -0.08
43 H5 H H5 N N N 0 -0.571 -4.271 -0.296
44 H6 H H6 N N N 0 0.161 1.994 -1.783
45 H7 H H7 N N N 0 -7.257 0.434 -2.115
46 H8 H H8 N N N 0 4.747 0.305 1.563
47 H9 H H9 N N N 0 4.291 2.015 1.375
48 H10 H H10 N N N 0 6.46 2.531 0.363
49 H11 H H11 N N N 0 6.739 1.679 1.905
50 H12 H H12 N N N 0 7.294 -2.253 1.128
51 H13 H H13 N N N 0 8.654 -2.08 2.264
52 H14 H H14 N N N 0 7.131 -1.206 2.559
53 H15 H H15 N N N 0 7.123 -0.786 -1.466
54 H16 H H16 N N N 0 6.716 0.903 -1.862
55 H17 H H17 N N N 0 4.674 -0.444 -1.988
56 H21 H H21 N N N 0 -8.408 2.268 -0.885
57 H18 H H18 N N N 0 4.966 -1.101 -0.359
58 H19 H H19 N N N 0 3.079 -0.956 0.906
59 H20 H H20 N N N 0 0.649 -1.307 0.887
60 H22 H H22 N N N 0 -7.935 2.065 2.138
61 H23 H H23 N N N 0 -6.918 0.616 2.162
62 H24 H H24 N N N 0 -4.384 -1.097 2.71
63 H25 H H25 N N N 0 -6.045 -1.335 3.303
64 H26 H H26 N N N 0 -5.231 -2.631 2.396
65 H27 H H27 N N N 0 -1.731 0.874 -0.523