Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 82F

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 C4 C C1 N Y N 0 -2.54 -0.797 -3.582
2 C5 C C2 N Y N 0 -2.853 -0.423 -1.322
3 C6 C C3 N Y N 0 -4.042 0.796 0.381
4 N1 N N1 N Y N 0 -2.494 -0.005 -2.528
5 C7 C C4 N Y N 0 -4.511 2.101 0.385
6 C8 C C5 N Y N 0 -5.72 2.4 0.983
7 N2 N N2 N N N 0 -2.843 0.488 -0.261
8 C9 C C6 N Y N 0 -6.473 1.399 1.573
9 C10 C C7 N Y N 0 -6.018 0.099 1.584
10 C11 C C8 N Y N 0 -4.786 -0.217 1.001
11 C12 C C9 N N N 0 -1.689 1.06 0.136
12 N3 N N3 N N N 0 -0.535 0.755 -0.49
13 C13 C C10 N N N 0 0.719 1.377 -0.058
14 C14 C C11 N N N 0 1.868 0.864 -0.928
15 C15 C C12 N N N 0 3.097 2.939 -0.716
16 N4 N N4 N N N 0 3.126 1.488 -0.495
17 C1 C C14 N Y N 0 -3.272 -1.736 -1.128
18 N N N5 N N N 0 -3.598 -2.222 0.135
19 C C C13 N N N 0 -4.269 -1.587 1.084
20 O O O1 N N N 0 -4.476 -2.195 2.116
21 C16 C C15 N N N 0 4.358 3.572 -0.123
22 C17 C C16 N N N 0 5.593 2.959 -0.789
23 C18 C C17 N N N 0 5.573 1.442 -0.585
24 C19 C C18 S N N 0 4.277 0.871 -1.165
25 C2 C C19 N Y N 0 -3.356 -2.585 -2.227
26 C20 C C20 N N N 0 4.244 -0.643 -0.946
27 C21 C C21 N N N 0 3.176 -0.617 1.227
28 C22 C C22 N N N 0 3.41 -0.843 2.722
29 C23 C C23 N N N 0 2.181 -0.38 3.506
30 C24 C C24 N N N 0 4.801 -2.332 0.697
31 C25 C C25 N N N 0 6.284 -2.498 0.358
32 C26 C C26 N N N 0 6.67 -3.975 0.469
33 C3 C C27 N Y N 0 -2.982 -2.099 -3.472
34 N5 N N6 N N N 0 4.404 -0.934 0.485
35 O1 O O2 N N N 0 -1.689 1.85 1.06
36 H1 H H1 N N N 0 -2.231 -0.419 -4.545
37 H5 H H5 N N N 0 -6.612 -0.677 2.043
38 H2 H H2 N N N 0 -3.93 2.885 -0.079
39 H3 H H3 N N N 0 -6.078 3.419 0.99
40 H4 H H4 N N N 0 -7.424 1.639 2.027
41 H6 H H6 N N N 0 -0.535 0.125 -1.227
42 H7 H H7 N N N 0 0.641 2.46 -0.16
43 H8 H H8 N N N 0 0.91 1.123 0.984
44 H9 H H9 N N N 0 1.946 -0.218 -0.826
45 H10 H H10 N N N 0 1.677 1.118 -1.97
46 H11 H H11 N N N 0 3.058 3.142 -1.786
47 H12 H H12 N N N 0 2.217 3.363 -0.233
48 H16 H H16 N N N 0 4.39 3.381 0.95
49 H14 H H14 N N N 0 -3.303 -3.122 0.342
50 H15 H H15 N N N 0 4.344 4.647 -0.301
51 H17 H H17 N N N 0 5.58 3.184 -1.856
52 H18 H H18 N N N 0 6.494 3.376 -0.339
53 H19 H H19 N N N 0 6.428 0.996 -1.094
54 H20 H H20 N N N 0 5.625 1.217 0.48
55 H21 H H21 N N N 0 4.233 1.084 -2.233
56 H22 H H22 N N N 0 -3.705 -3.601 -2.114
57 H23 H H23 N N N 0 3.29 -1.04 -1.293
58 H24 H H24 N N N 0 5.057 -1.109 -1.504
59 H25 H H25 N N N 0 2.368 -1.264 0.884
60 H26 H H26 N N N 0 2.906 0.424 1.054
61 H27 H H27 N N N 0 3.581 -1.903 2.907
62 H28 H H28 N N N 0 4.282 -0.273 3.043
63 H29 H H29 N N N 0 2.01 0.68 3.321
64 H30 H H30 N N N 0 1.309 -0.951 3.185
65 H31 H H31 N N N 0 2.348 -0.541 4.571
66 H32 H H32 N N N 0 4.206 -2.98 0.054
67 H33 H H33 N N N 0 4.634 -2.603 1.74
68 H34 H H34 N N N 0 6.464 -2.151 -0.659
69 H35 H H35 N N N 0 6.883 -1.912 1.054
70 H36 H H36 N N N 0 6.489 -4.322 1.486
71 H37 H H37 N N N 0 6.07 -4.561 -0.228
72 H38 H H38 N N N 0 7.726 -4.093 0.227
73 H39 H H39 N N N 0 -3.037 -2.733 -4.344