Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : X85

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 56


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N Y N 0 -0.891 -0.514 0.069
2 C2 C C2 N Y N 0 -0.041 -1.611 0.111
3 C3 C C3 N Y N 0 -0.561 -2.904 0.072
4 C4 C C4 N Y N 0 -1.908 -3.105 -0.01
5 C5 C C5 N Y N 0 -2.78 -2.011 -0.054
6 C6 C C6 N Y N 0 -2.262 -0.705 -0.008
7 C7 C C7 N N N 0 -4.232 -2.227 -0.141
8 N8 N N8 N N N 0 -4.734 -3.476 -0.063
9 O9 O O9 N N N 0 -4.981 -1.28 -0.285
10 N10 N N10 N N N 1 0.355 -4.066 0.117
11 O11 O O11 N N N 0 1.346 -4.034 0.824
12 O12 O O12 N N N -1 0.117 -5.056 -0.553
13 N13 N N13 N N N 0 -3.118 0.388 -0.051
14 C14 C C14 N N N 0 -2.586 1.743 0.116
15 N15 N N15 N N N 0 1.334 -1.419 0.193
16 C16 C C16 N N N 0 1.889 -0.065 0.134
17 C17 C C17 N N N 0 3.414 -0.134 0.245
18 C18 C C18 N N N 0 3.994 1.281 0.184
19 C19 C C19 N N N 0 7.551 2.434 0.64
20 C20 C C20 N N N 0 6.033 2.555 0.474
21 N21 N N21 N N N 0 5.457 1.214 0.29
22 C22 C C22 N N N 0 6.042 0.553 -0.885
23 C23 C C23 N N N 0 7.559 0.452 -0.706
24 O24 O O24 N N N 0 8.098 1.76 -0.497
25 C25 C C25 N Y N 0 -5.757 4.532 -0.047
26 N26 N N26 N Y N 0 -5.386 3.993 1.098
27 C27 C C27 N Y N 0 -4.399 3.121 1.166
28 C28 C C28 N Y N 0 -3.713 2.739 0.029
29 C29 C C29 N Y N 0 -4.075 3.285 -1.194
30 C30 C C30 N Y N 0 -5.118 4.198 -1.226
31 H1 H H1 N N N 0 -0.485 0.487 0.1
32 H4 H H4 N N N 0 -2.303 -4.11 -0.04
33 H1N8 H H1N8 N N N 0 -4.137 -4.232 0.052
34 H2N8 H H2N8 N N N 0 -5.692 -3.619 -0.12
35 HN13 H HN13 N N N 0 -4.069 0.254 -0.191
36 H114 H H114 N N N 0 -2.102 1.826 1.089
37 H214 H H214 N N N 0 -1.859 1.947 -0.671
38 HN15 H HN15 N N N 0 1.925 -2.182 0.289
39 H116 H H116 N N N 0 1.614 0.4 -0.812
40 H216 H H216 N N N 0 1.491 0.527 0.959
41 H117 H H117 N N N 0 3.688 -0.599 1.192
42 H217 H H217 N N N 0 3.812 -0.726 -0.579
43 H118 H H118 N N N 0 3.719 1.745 -0.763
44 H218 H H218 N N N 0 3.596 1.872 1.008
45 H119 H H119 N N N 0 7.989 3.429 0.719
46 H219 H H219 N N N 0 7.774 1.865 1.542
47 H120 H H120 N N N 0 5.606 3.016 1.364
48 H220 H H220 N N N 0 5.81 3.17 -0.398
49 H122 H H122 N N N 0 5.62 -0.447 -0.987
50 H222 H H222 N N N 0 5.819 1.135 -1.779
51 H123 H H123 N N N 0 7.783 -0.175 0.157
52 H223 H H223 N N N 0 8.003 0.013 -1.599
53 H25 H H25 N N N 0 -6.573 5.24 -0.064
54 H27 H H27 N N N 0 -4.123 2.701 2.122
55 H29 H H29 N N N 0 -3.557 3.005 -2.099
56 H30 H H30 N N N 0 -5.429 4.64 -2.161