Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : U85

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 59


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C CAA N N N 0 -7.511 3.426 1.437
2 N1 N NBE N N N 0 -7.162 2.875 0.126
3 C2 C CAB N N N 0 -7.38 3.671 -1.085
4 C3 C CBA N Y N 0 -6.623 1.596 0.03
5 C4 C CAM N Y N 0 -6.278 1.056 -1.209
6 C5 C CAP N Y N 0 -5.741 -0.214 -1.261
7 C6 C CAL N Y N 0 -6.408 0.822 1.171
8 C7 C CAO N Y N 0 -5.872 -0.44 1.033
9 N2 N NBG N Y N 1 -5.554 -0.914 -0.158
10 C8 C CAS N N N 0 -4.982 -2.259 -0.258
11 C9 C CAX N Y N 0 -3.48 -2.174 -0.168
12 C10 C CAG N Y N 0 -2.858 -2.252 1.065
13 C11 C CAK N Y N 0 -1.483 -2.176 1.154
14 C12 C CAF N Y N 0 -2.728 -2.024 -1.319
15 C13 C CAJ N Y N 0 -1.352 -1.947 -1.242
16 C14 C CAZ N Y N 0 -0.721 -2.019 -0.002
17 C15 C CAY N Y N 0 0.758 -1.936 0.087
18 C16 C CAI N Y N 0 1.52 -1.78 -1.069
19 C17 C CAE N Y N 0 2.896 -1.703 -0.981
20 C18 C CAH N Y N 0 1.389 -2.009 1.327
21 C19 C CAD N Y N 0 2.765 -1.931 1.403
22 C20 C CAW N Y N 0 3.517 -1.781 0.252
23 C21 C CAR N N N 0 5.019 -1.697 0.343
24 N3 N N3 N Y N 0 5.421 -0.297 0.501
25 C22 C C4 N Y N 0 5.669 0.479 -0.607
26 N4 N N9 N Y N 0 5.64 0.283 -1.916
27 C23 C C8 N Y N 0 5.98 1.413 -2.525
28 N5 N N7 N Y N 0 6.233 2.35 -1.635
29 C24 C C5 N Y N 0 6.055 1.825 -0.411
30 C25 C C6 N Y N 0 6.166 2.303 0.905
31 N6 N N6 N N N 0 6.537 3.602 1.144
32 N7 N N1 N Y N 0 5.906 1.475 1.922
33 C26 C C2 N Y N 0 5.543 0.234 1.729
34 H1 H H1 N N N 0 -8.544 3.171 1.675
35 H2 H H2 N N N 0 -6.85 3.008 2.195
36 H3 H H3 N N N 0 -7.401 4.511 1.417
37 H4 H H4 N N N 0 -7.805 4.637 -0.813
38 H5 H H5 N N N 0 -6.429 3.823 -1.595
39 H6 H H6 N N N 0 -8.067 3.145 -1.747
40 H7 H H7 N N N 0 -6.43 1.623 -2.115
41 H8 H H8 N N N 0 -5.472 -0.64 -2.215
42 H9 H H9 N N N 0 -6.658 1.207 2.148
43 H10 H H10 N N N 0 -5.701 -1.046 1.91
44 H12 H H12 N N N 0 -5.36 -2.877 0.556
45 H13 H H13 N N N 0 -5.264 -2.704 -1.213
46 H14 H H14 N N N 0 -3.45 -2.373 1.961
47 H15 H H15 N N N 0 -0.999 -2.236 2.117
48 H16 H H16 N N N 0 -3.218 -1.969 -2.28
49 H17 H H17 N N N 0 -0.766 -1.829 -2.142
50 H18 H H18 N N N 0 1.036 -1.719 -2.033
51 H19 H H19 N N N 0 3.487 -1.583 -1.876
52 H20 H H20 N N N 0 0.803 -2.125 2.226
53 H21 H H21 N N N 0 3.255 -1.986 2.364
54 H22 H H22 N N N 0 5.365 -2.274 1.201
55 H23 H H23 N N N 0 5.461 -2.101 -0.568
56 H24 H H24 N N N 0 6.041 1.545 -3.595
57 H25 H H25 N N N 0 6.724 4.198 0.401
58 H26 H H26 N N N 0 6.612 3.926 2.055
59 H27 H H27 N N N 0 5.339 -0.389 2.588