Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 93J

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 56


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C10 C C1 N Y N 0 -1.574 -1.796 0.433
2 C13 C C2 N Y N 0 0.491 -3.577 -0.119
3 C15 C C3 N Y N 0 -1.864 -3.09 -0.064
4 C17 C C4 N N N 0 2.423 -6.556 -1.099
5 C20 C C5 N Y N 0 -2.111 2.723 0.773
6 C21 C C6 N Y N 0 -1.882 3.765 -0.106
7 C22 C C7 N Y N 0 -1.72 3.51 -1.458
8 C24 C C8 N Y N 0 -2.024 1.167 -1.059
9 C01 C C9 N N N 0 2.442 -0.606 0.567
10 C02 C C10 N N N 0 3.827 -0.199 0.848
11 C03 C C11 N N N 0 4.16 1.089 0.828
12 C04 C C12 N N N 0 5.579 1.505 1.115
13 O01 O O1 N N N 0 1.6 0.236 0.317
14 N01 N N1 N N N 0 2.106 -1.911 0.588
15 N02 N N2 N N N 0 6.085 2.321 0.003
16 C05 C C13 N N N 0 7.371 2.941 0.347
17 C06 C C14 N N N 0 6.197 1.523 -1.226
18 N03 N N3 N Y N 0 -3.135 -3.462 -0.277
19 C07 C C15 N Y N 0 -4.142 -2.661 -0.039
20 C08 C C16 N Y N 0 -3.947 -1.361 0.454
21 C09 C C17 N Y N 0 -2.642 -0.908 0.7
22 C11 C C18 N Y N 0 -0.243 -1.41 0.648
23 C12 C C19 N Y N 0 0.776 -2.294 0.374
24 C14 C C20 N Y N 0 -0.808 -3.976 -0.33
25 O02 O O2 N N N 0 1.509 -4.438 -0.379
26 C16 C C21 N N N 0 1.154 -5.734 -0.867
27 C18 C C22 N N N 0 -5.069 -0.506 0.704
28 N04 N N4 N N N 0 -5.958 0.172 0.903
29 N05 N N5 N N N 0 -2.407 0.363 1.186
30 C19 C C23 N Y N 0 -2.181 1.419 0.298
31 C23 C C24 N Y N 0 -1.789 2.211 -1.932
32 F01 F F1 N N N 0 -1.496 4.53 -2.315
33 CL1 CL CL1 N N N 0 -1.795 5.395 0.486
34 H1 H H1 N N N 0 3.053 -6.053 -1.832
35 H2 H H2 N N N 0 2.967 -6.658 -0.161
36 H3 H H3 N N N 0 2.152 -7.545 -1.472
37 H4 H H4 N N N 0 -2.233 2.921 1.827
38 H5 H H5 N N N 0 -2.077 0.154 -1.429
39 H6 H H6 N N N 0 4.575 -0.946 1.071
40 H7 H H7 N N N 0 3.412 1.836 0.605
41 H8 H H8 N N N 0 5.607 2.089 2.036
42 H9 H H9 N N N 0 6.202 0.618 1.228
43 H10 H H10 N N N 0 2.784 -2.584 0.751
44 H12 H H12 N N N 0 7.723 3.539 -0.493
45 H13 H H13 N N N 0 7.244 3.581 1.22
46 H14 H H14 N N N 0 8.101 2.163 0.571
47 H15 H H15 N N N 0 5.216 1.133 -1.496
48 H16 H H16 N N N 0 6.574 2.151 -2.033
49 H17 H H17 N N N 0 6.884 0.694 -1.059
50 H18 H H18 N N N 0 -5.147 -3.008 -0.227
51 H19 H H19 N N N 0 -0.019 -0.424 1.027
52 H20 H H20 N N N 0 -1.015 -4.965 -0.71
53 H21 H H21 N N N 0 0.61 -5.632 -1.806
54 H22 H H22 N N N 0 0.524 -6.238 -0.134
55 H23 H H23 N N N 0 -2.4 0.522 2.142
56 H24 H H24 N N N 0 -1.664 2.014 -2.987