Chemical Components in the PDB

pdbe.org/chem
spacer

PDBeChem : Atoms of Molecule

 Molecule : 919

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 69


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 4.737 -0.152 0.372
2 C2 C C2 N Y N 0 4.213 -1.284 1.006
3 C3 C C3 N Y N 0 5.006 -2.344 1.315
4 C4 C C4 N Y N 0 6.375 -2.313 0.997
5 C5 C C5 N Y N 0 6.912 -1.169 0.354
6 C6 C C6 N Y N 0 6.074 -0.088 0.046
7 C9 C C9 N Y N 0 8.45 -3.324 1.001
8 N10 N N10 N Y N 0 7.173 -3.344 1.293
9 C13 C C13 N Y N 0 8.284 -1.145 0.038
10 C14 C C14 N Y N 0 9.041 -2.232 0.369
11 C22 C C22 N Y N 0 -8.578 -0.044 -0.611
12 N23 N N23 N Y N 0 -8.121 0.225 0.594
13 C24 C C24 N Y N 0 -6.841 0.064 0.909
14 C25 C C25 N Y N 0 -5.932 -0.401 -0.036
15 C26 C C26 N Y N 0 -6.385 -0.695 -1.32
16 C27 C C27 N Y N 0 -7.735 -0.51 -1.604
17 C34 C C34 N Y N 0 -1.986 -0.333 -2.156
18 C35 C C35 N Y N 0 -3.33 -0.269 -2.469
19 C36 C C36 N Y N 0 -4.208 -1.216 -1.962
20 C37 C C37 N Y N 0 -3.737 -2.23 -1.14
21 C38 C C38 N Y N 0 -2.392 -2.296 -0.826
22 C39 C C39 N Y N 0 -1.513 -1.346 -1.334
23 C46 C C46 N Y N 0 3.193 2.982 -0.262
24 C47 C C47 N Y N 0 2.139 2.103 -0.528
25 C48 C C48 N Y N 0 2.591 0.835 -0.324
26 N49 N N49 N Y N 0 3.893 0.923 0.061
27 N50 N N50 N Y N 0 4.24 2.28 0.09
28 N56 N N56 N N N 0 1.853 -0.338 -0.479
29 C58 C C58 N N N 0 0.564 -0.278 -0.867
30 N60 N N60 N N N 0 -0.148 -1.412 -1.017
31 O63 O O63 N N N 0 0.044 0.8 -1.082
32 O65 O O65 N N N 0 -5.53 -1.151 -2.271
33 F68 F F68 N N N 0 -1.933 -3.282 -0.025
34 C70 C C70 N N N 0 -6.377 0.382 2.28
35 O72 O O72 N N N 0 -5.207 0.236 2.574
36 N74 N N74 N N N 0 -7.252 0.833 3.2
37 C76 C C76 N N N 0 -6.793 1.148 4.555
38 C79 C C79 N N N 0 3.135 4.484 -0.368
39 C81 C C81 N N N 0 2.356 5.049 0.822
40 C83 C C83 N N N 0 4.556 5.051 -0.362
41 C85 C C85 N N N 0 2.434 4.877 -1.67
42 H2 H H2 N N N 0 3.162 -1.316 1.254
43 H3 H H3 N N N 0 4.585 -3.209 1.805
44 H6 H H6 N N N 0 6.473 0.789 -0.443
45 H9 H H9 N N N 0 9.061 -4.177 1.256
46 H13 H H13 N N N 0 8.726 -0.289 -0.451
47 H14 H H14 N N N 0 10.097 -2.245 0.141
48 H22 H H22 N N N 0 -9.627 0.096 -0.826
49 H25 H H25 N N N 0 -4.892 -0.531 0.222
50 H27 H H27 N N N 0 -8.12 -0.729 -2.589
51 H34 H H34 N N N 0 -1.303 0.402 -2.555
52 H35 H H35 N N N 0 -3.698 0.52 -3.109
53 H37 H H37 N N N 0 -4.421 -2.967 -0.746
54 H47 H H47 N N N 0 1.144 2.38 -0.841
55 HN56 H HN56 N N N 0 2.268 -1.198 -0.307
56 HN60 H HN60 N N N 0 0.282 -2.274 -0.905
57 HN74 H HN74 N N N 0 -8.186 0.949 2.965
58 H76 H H76 N N N 0 -6.033 1.928 4.509
59 H76A H H76A N N N 0 -7.635 1.496 5.152
60 H76B H H76B N N N 0 -6.368 0.254 5.011
61 H81 H H81 N N N 0 2.856 4.769 1.749
62 H81A H H81A N N N 0 2.314 6.136 0.745
63 H81B H H81B N N N 0 1.344 4.645 0.818
64 H83 H H83 N N N 0 5.111 4.648 -1.21
65 H83A H H83A N N N 0 4.515 6.137 -0.439
66 H83B H H83B N N N 0 5.056 4.771 0.565
67 H85 H H85 N N N 0 1.422 4.473 -1.673
68 H85A H H85A N N N 0 2.392 5.963 -1.746
69 H85B H H85B N N N 0 2.989 4.474 -2.517