Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 974

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 68


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 O1 O O1 N N N 0 0.61 2.643 -1.905
2 C11 C C11 N Y N 0 -0.083 3.564 -1.184
3 C12 C C12 N Y N 0 -0.256 3.39 0.177
4 C13 C C13 N Y N 0 -0.968 4.338 0.913
5 C14 C C14 N Y N 0 -1.502 5.458 0.274
6 C15 C C15 N Y N 0 -1.327 5.626 -1.083
7 C16 C C16 N Y N 0 -0.614 4.688 -1.816
8 O11 O O11 N N N 0 -0.443 4.858 -3.153
9 C17 C C17 N N N 0 -1.156 4.156 2.369
10 N11 N N11 N N N 0 -1.968 5.02 3.072
11 N12 N N12 N N N 0 -0.555 3.179 2.987
12 C1 C C1 N Y N 0 2.188 1.198 -0.88
13 F1 F F1 N N N 0 3.198 1.821 -1.526
14 C2 C C2 N Y N 0 2.45 0.135 -0.017
15 C3 C C3 N Y N 0 1.376 -0.472 0.632
16 F2 F F2 N N N 0 1.583 -1.505 1.478
17 C4 C C4 N Y N 0 0.092 -0.009 0.391
18 N5 N N5 N Y N 1 -0.119 1.004 -0.436
19 C6 C C6 N Y N 0 0.877 1.609 -1.067
20 N31 N N31 N N N 0 3.757 -0.306 0.196
21 C32 C C32 N N N 0 3.805 -1.706 -0.24
22 C33 C C33 R N N 0 5.213 -2.265 -0.029
23 C34 C C34 N N N 0 5.557 -2.214 1.463
24 C35 C C35 N N N 0 5.392 -0.775 1.962
25 C36 C C36 N N N 0 3.974 -0.293 1.647
26 C37 C C37 N N N 0 5.267 -3.693 -0.508
27 O31 O O31 N N N 0 6.41 -4.39 -0.416
28 O32 O O32 N N N 0 4.28 -4.21 -0.977
29 O2 O O2 N N N 0 -0.961 -0.596 1.015
30 C21 C C21 N Y N 0 -1.765 -1.096 0.04
31 C22 C C22 N Y N 0 -1.456 -0.877 -1.295
32 C23 C C23 N Y N 0 -2.271 -1.384 -2.291
33 C24 C C24 N Y N 0 -3.397 -2.111 -1.963
34 C25 C C25 N Y N 0 -3.716 -2.336 -0.623
35 C26 C C26 N Y N 0 -2.897 -1.82 0.38
36 C27 C C27 N Y N 0 -4.922 -3.115 -0.269
37 N21 N N21 N Y N 0 -5.742 -2.878 0.796
38 C30 C C30 N N N 0 -5.595 -1.81 1.788
39 N22 N N22 N Y N 0 -5.383 -4.159 -0.921
40 C28 C C28 N Y N 0 -6.731 -3.823 0.758
41 C29 C C29 N Y N 0 -6.489 -4.606 -0.314
42 H12 H H12 N N N 0 0.158 2.523 0.668
43 H14 H H14 N N N 0 -2.054 6.192 0.842
44 H15 H H15 N N N 0 -1.741 6.493 -1.576
45 HO11 H HO11 N N N 0 0.374 5.362 -3.268
46 HN11 H HN11 N N N 0 -2.481 5.695 2.601
47 H121 H 1H12 N N N 0
48 H122 H 2H12 N N N 0 -0.735 3.015 3.926
49 HN5 H HN5 N N N 0 -1.027 1.311 -0.584
50 H321 H 1H32 N N N 0 3.092 -2.291 0.34
51 H322 H 2H32 N N N 0 3.546 -1.765 -1.297
52 H33 H H33 N N N 0 5.931 -1.666 -0.589
53 H341 H 1H34 N N N 0 6.589 -2.535 1.611
54 H342 H 2H34 N N N 0 4.886 -2.871 2.016
55 H351 H 1H35 N N N 0 6.115 -0.13 1.462
56 H352 H 2H35 N N N 0 5.557 -0.741 3.039
57 H361 H 1H36 N N N 0 3.844 0.721 2.024
58 H362 H 2H36 N N N 0 3.252 -0.953 2.128
59 HO31 H HO31 N N N 0 6.444 -5.306 -0.724
60 H22 H H22 N N N 0 -0.576 -0.308 -1.558
61 H23 H H23 N N N 0 -2.025 -1.21 -3.328
62 H24 H H24 N N N 0 -4.031 -2.505 -2.743
63 H26 H H26 N N N 0 -3.139 -1.991 1.418
64 H301 H 1H30 N N N 0 -4.77 -2.05 2.46
65 H302 H 2H30 N N N 0 -5.387 -0.869 1.28
66 H303 H 3H30 N N N 0 -6.516 -1.718 2.362
67 H28 H H28 N N N 0 -7.551 -3.924 1.454
68 H29 H H29 N N N 0 -7.085 -5.45 -0.628