Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 4XI

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 58


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 -4.684 0.663 0.556
2 C2 C C2 N Y N 0 -1.175 -1.362 1.146
3 C3 C C3 N Y N 0 -0.721 -2.593 1.578
4 C4 C C4 N Y N 0 0.349 -3.198 0.943
5 C5 C C5 N Y N 0 0.964 -2.569 -0.125
6 C6 C C6 N Y N 0 0.509 -1.337 -0.557
7 C7 C C7 N N N 0 -0.221 1.26 1.788
8 C8 C C8 N Y N 0 1.166 1.56 1.281
9 C10 C C9 N Y N 0 3.004 2.828 0.776
10 C11 C C10 N Y N 0 3.47 1.614 0.358
11 C12 C C11 N Y N 0 -5.206 1.061 1.774
12 C13 C C12 N N N 0 4.792 1.366 -0.226
13 C14 C C13 N N N 0 -2.794 -0.926 -1.386
14 C15 C C14 N N N 0 -2.736 1.492 -2.052
15 C16 C C15 N N N 0 -1.887 1.094 -3.263
16 C17 C C16 N N N 0 -1.943 -1.243 -2.62
17 C19 C C17 N Y N 0 -4.383 1.649 2.716
18 C21 C C18 N Y N 0 -2.51 1.444 1.222
19 C22 C C19 N Y N 0 -3.345 0.846 0.283
20 C23 C C20 S N N 0 -1.061 0.606 -0.397
21 C25 C C21 N Y N 0 -0.561 -0.734 0.078
22 C18 C C22 N N N 0 -1.556 -0.629 -4.93
23 C20 C C23 N Y N 0 -3.044 1.844 2.445
24 C24 C C24 N N N 0 -2.504 0.496 -0.922
25 C9 C C25 N Y N 0 1.727 2.775 1.284
26 N1 N N1 N N N 0 -1.202 1.551 0.734
27 N2 N N2 N N N 0 5.139 0.119 -0.601
28 N3 N N3 N N N 0 -2.238 -0.269 -3.679
29 O1 O O1 N N N 0 5.575 2.286 -0.371
30 O2 O O2 N N N 0 6.416 -0.121 -1.165
31 S1 S S1 N Y N 0 2.232 0.396 0.634
32 CL1 CL CL1 N N N 0 0.92 -4.744 1.487
33 H1 H H1 N N N 0 -5.326 0.204 -0.181
34 H2 H H2 N N N 0 -2.014 -0.892 1.638
35 H3 H H3 N N N 0 -1.201 -3.083 2.412
36 H4 H H4 N N N 0 1.799 -3.04 -0.621
37 H5 H H5 N N N 0 0.989 -0.846 -1.39
38 H6 H H6 N N N 0 -0.287 0.207 2.065
39 H7 H H7 N N N 0 -0.431 1.878 2.661
40 H8 H H8 N N N 0 3.581 3.739 0.714
41 H9 H H9 N N N 0 -6.254 0.913 1.987
42 H10 H H10 N N N 0 -3.85 -1.018 -1.64
43 H11 H H11 N N N 0 -2.55 -1.627 -0.587
44 H12 H H12 N N N 0 -2.451 2.491 -1.72
45 H13 H H13 N N N 0 -3.79 1.488 -2.329
46 H14 H H14 N N N 0 -2.078 1.786 -4.083
47 H15 H H15 N N N 0 -0.831 1.132 -2.994
48 H16 H H16 N N N 0 -0.887 -1.185 -2.357
49 H17 H H17 N N N 0 -2.176 -2.247 -2.974
50 H18 H H18 N N N 0 -4.789 1.957 3.668
51 H19 H H19 N N N 0 -0.401 1.014 -1.163
52 H20 H H20 N N N 0 -1.893 -1.614 -5.256
53 H21 H H21 N N N 0 -1.792 0.108 -5.697
54 H22 H H22 N N N 0 -0.479 -0.65 -4.764
55 H23 H H23 N N N 0 -2.407 2.305 3.185
56 H24 H H24 N N N 0 1.215 3.649 1.658
57 H25 H H25 N N N 0 4.515 -0.614 -0.486
58 H27 H H27 N N N 0 6.574 -1.045 -1.403