Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : E8I

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 55


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 -6.034 -1.249 1.096
2 C2 C C2 N Y N 0 -5.306 0.526 -0.191
3 C3 C C3 N Y N 0 -7.658 0.041 0.089
4 C4 C C4 N Y N 0 -6.643 0.837 -0.474
5 C5 C C5 N Y N 0 -7.321 1.859 -1.271
6 C6 C C6 N Y N 0 -8.639 1.635 -1.15
7 N7 N N1 N Y N 0 -8.854 0.549 -0.338
8 N8 N N2 N N N 0 -5.714 -2.326 1.907
9 N9 N N3 N Y N 0 -7.308 -0.988 0.859
10 C18 C C7 N Y N 0 -3.029 0.985 -0.311
11 C19 C C8 N Y N 0 -2.384 -0.136 -0.813
12 C20 C C9 N Y N 0 -1.094 -0.428 -0.415
13 C21 C C10 N Y N 0 -0.443 0.402 0.488
14 C22 C C11 N Y N 0 -1.088 1.524 0.99
15 C23 C C12 N Y N 0 -2.376 1.817 0.587
16 C25 C C13 N N N 0 1.733 -0.445 0.021
17 C28 C C14 S N N 0 3.959 -1.243 -0.567
18 C30 C C15 N N N 0 3.857 -2.745 -0.494
19 C31 C C16 N N N 0 5.383 -0.811 -0.212
20 C34 C C17 N N N 0 5.52 0.701 -0.406
21 C35 C C18 N Y N 0 6.923 1.127 -0.057
22 C36 C C19 N Y N 0 7.903 1.146 -1.032
23 C37 C C20 N Y N 0 9.189 1.536 -0.712
24 C38 C C21 N Y N 0 9.497 1.907 0.584
25 C39 C C22 N Y N 0 8.518 1.888 1.559
26 C40 C C23 N Y N 0 7.229 1.503 1.237
27 N10 N N4 N Y N 0 -5.05 -0.515 0.591
28 N24 N N5 N N N 0 0.866 0.106 0.893
29 N27 N N6 N N N 0 3.016 -0.644 0.382
30 O17 O O1 N N N 0 -4.298 1.271 -0.704
31 O26 O O2 N N N 0 1.357 -0.763 -1.091
32 O32 O O3 N N N 0 4.633 -3.509 -1.28
33 O33 O O4 N N N 0 3.078 -3.262 0.271
34 H1 H H1 N N N 0 -6.852 2.644 -1.845
35 H2 H H2 N N N 0 -9.415 2.221 -1.62
36 H3 H H3 N N N 0 -9.725 0.195 -0.102
37 H4 H H4 N N N 0 -4.785 -2.531 2.096
38 H5 H H5 N N N 0 -6.419 -2.874 2.285
39 H6 H H6 N N N 0 -2.891 -0.782 -1.515
40 H7 H H7 N N N 0 -0.592 -1.301 -0.805
41 H8 H H8 N N N 0 -0.581 2.171 1.69
42 H9 H H9 N N N 0 -2.878 2.69 0.978
43 H10 H H10 N N N 0 3.719 -0.911 -1.577
44 H11 H H11 N N N 0 5.592 -1.064 0.827
45 H12 H H12 N N N 0 6.091 -1.326 -0.861
46 H13 H H13 N N N 0 5.312 0.954 -1.445
47 H14 H H14 N N N 0 4.812 1.216 0.243
48 H15 H H15 N N N 0 7.662 0.856 -2.044
49 H16 H H16 N N N 0 9.955 1.551 -1.474
50 H17 H H17 N N N 0 10.502 2.211 0.834
51 H18 H H18 N N N 0 8.758 2.177 2.572
52 H19 H H19 N N N 0 6.464 1.488 2.0
53 H20 H H20 N N N 0 1.148 0.299 1.801
54 H21 H H21 N N N 0 3.316 -0.39 1.268
55 H22 H H22 N N N 0 4.532 -4.467 -1.198