Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 406

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 73


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 -4.068 -4.324 -0.451
2 C2 C C2 N Y N 0 -3.406 -3.111 -0.266
3 C3 C C3 N Y N 0 -2.02 -3.089 -0.11
4 C4 C C4 N Y N 0 -1.304 -4.281 -0.14
5 C5 C C5 N Y N 0 -1.958 -5.495 -0.325
6 C6 C C6 N Y N 0 -3.344 -5.516 -0.48
7 C7 C C7 N N N 0 -1.204 -6.784 -0.359
8 F8 F F8 N N N 0 -2.0 -7.876 -0.548
9 F9 F F9 N N N 0 -0.273 -6.843 -1.355
10 F10 F F10 N N N 0 -0.521 -7.021 0.798
11 C11 C C11 N N N 0 0.187 -4.233 0.029
12 N12 N N12 R N N 0 0.876 -4.093 -1.244
13 C13 C C13 N N N 0 2.334 -4.044 -1.097
14 C14 C C14 N N N 0 2.831 -3.277 -2.323
15 C15 C C15 S N N 0 1.56 -2.84 -3.051
16 C16 C C16 N N N 0 0.502 -2.869 -1.956
17 N17 N N17 N N N 0 1.686 -1.539 -3.684
18 C18 C C18 N N N 0 0.442 -1.17 -4.366
19 C19 C C19 N N N 0 2.802 -1.528 -4.634
20 N20 N N20 N Y N 0 -6.783 -10.328 -1.433
21 C21 C C21 N Y N 0 -6.002 -9.669 -2.311
22 N22 N N22 N Y N 0 -6.258 -8.48 -2.888
23 C23 C C23 N Y N 0 -7.429 -7.913 -2.529
24 C24 C C24 N Y N 0 -8.314 -8.485 -1.641
25 C25 C C25 N Y N 0 -7.937 -9.704 -1.118
26 C26 C C26 N Y N 0 -9.558 -7.847 -1.28
27 N27 N N27 N Y N 0 -9.541 -6.498 -1.315
28 C28 C C28 N Y N 0 -10.703 -5.902 -0.978
29 N29 N N29 N Y N 0 -11.849 -6.518 -0.621
30 C30 C C30 N Y N 0 -11.795 -7.866 -0.608
31 C31 C C31 N Y N 0 -10.666 -8.591 -0.931
32 N32 N N32 N N N 0 -10.722 -4.495 -1.002
33 C33 C C33 N Y N 0 -8.396 -3.824 -1.081
34 C34 C C34 N Y N 0 -7.435 -2.879 -1.392
35 C35 C C35 N Y N 0 -7.772 -1.652 -1.934
36 C36 C C36 N Y N 0 -9.115 -1.359 -2.173
37 C37 C C37 N Y N 0 -10.099 -2.299 -1.865
38 C38 C C38 N Y N 0 -9.739 -3.532 -1.319
39 C39 C C39 N N N 0 -11.529 -1.96 -2.13
40 N40 N N40 N N N 0 -6.069 -3.176 -1.15
41 C41 C C41 N N N 0 -5.513 -4.347 -0.613
42 O42 O O42 N N N 0 -6.192 -5.322 -0.264
43 H391 H 1H39 N N N 0 -12.083 -2.858 -2.427
44 H392 H 2H39 N N N 0 -12.007 -1.532 -1.24
45 H393 H 3H39 N N N 0 -11.617 -1.214 -2.93
46 H36 H H36 N N N 0 -9.385 -0.396 -2.598
47 H35 H H35 N N N 0 -7.014 -0.912 -2.178
48 H33 H H33 N N N 0 -8.116 -4.785 -0.656
49 H32 H H32 N N N 0 -11.616 -4.091 -0.742
50 H30 H H30 N N N 0 -12.715 -8.364 -0.321
51 H31 H H31 N N N 0 -10.666 -9.674 -0.909
52 H25 H H25 N N N 0 -8.563 -10.239 -0.41
53 H21 H H21 N N N 0 -5.068 -10.147 -2.581
54 H23 H H23 N N N 0 -7.629 -6.954 -2.998
55 H40 H H40 N N N 0 -5.407 -2.445 -1.398
56 H2 H H2 N N N 0 -3.96 -2.176 -0.241
57 H3 H H3 N N N 0 -1.513 -2.138 0.033
58 H111 H 1H11 N N N 0 0.476 -3.388 0.664
59 H112 H 2H11 N N N 0 0.558 -5.143 0.512
60 H131 H 1H13 N N N 0 2.758 -5.052 -1.057
61 H132 H 2H13 N N N 0 2.639 -3.507 -0.189
62 H141 H 1H14 N N N 0 3.432 -2.418 -2.001
63 H142 H 2H14 N N N 0 3.458 -3.899 -2.971
64 H15 H H15 N N N 0 1.313 -3.587 -3.818
65 H161 H 1H16 N N N 0 0.572 -1.986 -1.308
66 H162 H 2H16 N N N 0 -0.51 -2.926 -2.37
67 H181 H 1H18 N N N 0 -0.4 -1.231 -3.671
68 H182 H 2H18 N N N 0 0.255 -1.845 -5.205
69 H183 H 3H18 N N N 0 0.509 -0.147 -4.748
70 H191 H 1H19 N N N 0 3.745 -1.37 -4.104
71 H192 H 2H19 N N N 0 2.67 -0.725 -5.364
72 H193 H 3H19 N N N 0 2.854 -2.481 -5.168
73 H6 H H6 N N N 0 -3.859 -6.463 -0.624