Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 55J

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 53


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 -0.833 -2.512 0.186
2 C2 C C2 N Y N 0 -0.817 -3.356 1.309
3 C3 C C3 N Y N 0 0.162 -4.33 1.432
4 O1 O O1 N N N 0 2.064 -3.785 -1.624
5 C11 C C4 N Y N 0 2.975 -1.687 -0.933
6 C12 C C5 N Y N 0 3.938 0.495 -0.239
7 C13 C C6 N Y N 0 -2.511 -1.935 1.454
8 C14 C C7 N N N 0 -2.287 -3.558 3.377
9 C15 C C8 N Y N 0 -4.252 -0.308 1.117
10 C16 C C9 N Y N 0 -4.984 0.717 1.702
11 C17 C C10 N Y N 0 -5.595 1.668 0.907
12 C18 C C11 N Y N 0 -5.478 1.599 -0.469
13 C19 C C12 N Y N 0 -4.75 0.58 -1.054
14 C20 C C13 N Y N 0 -4.137 -0.374 -0.266
15 C21 C C14 N Y N 0 3.459 1.853 1.373
16 C22 C C15 N Y N 0 4.494 2.4 0.701
17 C23 C C16 N N N 0 -6.147 2.638 -1.332
18 C24 C C17 N N N 0 5.177 3.706 1.016
19 C4 C C18 N Y N 0 1.121 -4.47 0.451
20 C5 C C19 N Y N 0 1.113 -3.638 -0.664
21 C6 C C20 N Y N 0 0.14 -2.667 -0.805
22 C7 C C21 N Y N 0 2.959 -2.779 -1.794
23 C8 C C22 N Y N 0 3.886 -2.816 -2.835
24 C9 C C23 N Y N 0 4.783 -1.776 -2.979
25 N1 N N1 N Y N 0 4.775 -0.753 -2.148
26 C10 C C24 N Y N 0 3.907 -0.674 -1.145
27 N2 N N2 N Y N 0 -1.888 -1.669 0.333
28 N3 N N3 N Y N 0 -1.891 -2.968 2.096
29 N4 N N4 N N N 0 -3.628 -1.269 1.918
30 N5 N N5 N Y N 0 3.14 0.696 0.786
31 N6 N N6 N Y N 0 4.805 1.545 -0.32
32 F1 F F1 N N N 0 -7.299 3.105 -0.692
33 F2 F F2 N N N 0 -5.266 3.704 -1.545
34 F3 F F3 N N N 0 -6.494 2.068 -2.562
35 F4 F F4 N N N 0 6.519 3.636 0.623
36 F5 F F5 N N N 0 4.542 4.743 0.325
37 F6 F F6 N N N 0 5.106 3.949 2.391
38 H1 H H1 N N N 0 0.174 -4.978 2.296
39 H2 H H2 N N N 0 2.272 -1.623 -0.116
40 H3 H H3 N N N 0 -1.782 -3.036 4.19
41 H4 H H4 N N N 0 -3.366 -3.466 3.502
42 H5 H H5 N N N 0 -2.008 -4.612 3.394
43 H6 H H6 N N N 0 -5.076 0.77 2.776
44 H7 H H7 N N N 0 -6.164 2.465 1.362
45 H8 H H8 N N N 0 -4.661 0.529 -2.13
46 H9 H H9 N N N 0 -3.568 -1.17 -0.724
47 H10 H H10 N N N 0 2.972 2.278 2.238
48 H11 H H11 N N N 0 1.883 -5.229 0.549
49 H13 H H13 N N N 0 3.902 -3.649 -3.522
50 H12 H H12 N N N 0 0.135 -2.026 -1.674
51 H14 H H14 N N N 0 5.502 -1.802 -3.784
52 H15 H H15 N N N 0 -3.98 -1.468 2.8
53 H17 H H17 N N N 0 5.507 1.664 -0.978