Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : BIN

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 49


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 -0.986 1.371 0.472
2 C2 C C2 N Y N 0 -1.652 1.749 -0.696
3 C3 C C3 N Y N 0 -2.662 2.689 -0.637
4 C4 C C4 N Y N 0 -3.004 3.266 0.573
5 C5 C C5 N Y N 0 -2.343 2.9 1.732
6 C6 C C6 N Y N 0 -1.337 1.958 1.689
7 C7 C C7 N Y N 0 0.092 0.36 0.419
8 C8 C C8 N Y N 0 -0.191 -1.012 0.579
9 C9 C C9 N Y N 0 2.419 -0.26 0.17
10 C11 C C11 N Y N 0 0.859 -1.931 0.522
11 C12 C C12 N Y N 0 1.433 0.738 0.206
12 C13 C C13 N N N 0 1.795 2.159 0.03
13 C14 C C14 N N N 0 3.837 0.118 -0.052
14 C15 C C15 N N N 0 0.567 -3.4 0.692
15 C16 C C16 N N N 0 3.329 -3.036 -1.167
16 C17 C C17 N N N 0 3.161 -2.543 0.271
17 C18 C C18 N N N 0 -1.576 -1.47 0.806
18 C19 C C19 N N N 0 -3.724 -2.234 -0.021
19 C20 C C20 N N N 0 -4.664 -1.027 -0.004
20 C21 C C21 N N N 0 -4.136 -3.186 -1.145
21 N10 N N10 N Y N 1 2.098 -1.537 0.322
22 O3A O O3A N N N 0 1.807 2.703 -1.202
23 O3B O O3B N N N 0 2.082 2.836 0.997
24 O4A O O4A N N N 0 4.652 0.319 1.0
25 O4B O O4B N N N 0 4.261 0.244 -1.183
26 O8A O O8A N N N 0 -2.007 -1.565 1.937
27 O8 O O8 N N N 0 -2.362 -1.783 -0.243
28 CL2 CL CL2 N N N 0 -1.223 1.026 -2.215
29 H3 H H3 N N N 0 -3.182 2.979 -1.538
30 H4 H H4 N N N 0 -3.791 4.004 0.613
31 H5 H H5 N N N 0 -2.616 3.354 2.674
32 H6 H H6 N N N 0 -0.823 1.673 2.595
33 H151 H 1H15 N N N 0 0.632 -3.663 1.748
34 H152 H 2H15 N N N 0 -0.436 -3.616 0.325
35 H163 H 3H16 N N N 0 3.594 -2.196 -1.81
36 H153 H 3H15 N N N 0 1.295 -3.982 0.128
37 H161 H 1H16 N N N 0 4.12 -3.785 -1.205
38 H162 H 2H16 N N N 0 2.394 -3.477 -1.512
39 H171 H 1H17 N N N 0 2.897 -3.383 0.914
40 H172 H 2H17 N N N 0 4.096 -2.102 0.616
41 H19 H H19 N N N 0 -3.783 -2.754 0.935
42 H211 H 1H21 N N N 0 -3.467 -4.045 -1.157
43 H201 H 1H20 N N N 0 -5.687 -1.365 0.163
44 H202 H 2H20 N N N 0 -4.37 -0.349 0.797
45 H203 H 3H20 N N N 0 -4.605 -0.507 -0.96
46 H212 H 2H21 N N N 0 -5.159 -3.524 -0.978
47 H213 H 3H21 N N N 0 -4.077 -2.665 -2.101
48 HOB3 H 3HOB N N N 0
49 HOB4 H 4HOB N N N 0