Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 92J

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 68


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 0.682 -3.606 1.35
2 C2 C C2 N Y N 0 0.537 -2.396 0.673
3 C3 C C3 N Y N 0 -0.727 -2.029 0.206
4 C11 C C4 N Y N 0 3.903 0.048 0.007
5 C13 C C5 N Y N 0 2.842 -1.991 -0.196
6 C15 C C6 N N N 0 2.747 2.028 2.553
7 C16 C C7 N N N 0 2.839 3.497 2.974
8 C18 C C8 N N N 0 1.855 4.174 0.898
9 C19 C C9 N N N 0 1.753 2.712 0.456
10 C22 C C10 N N N 0 -3.487 -1.287 -0.014
11 C23 C C11 N Y N 0 -4.879 -0.957 -0.385
12 C24 C C12 N Y N 0 -5.771 -1.973 -0.733
13 C25 C C13 N Y N 0 -7.069 -1.658 -1.079
14 C26 C C14 N Y N 0 -7.487 -0.339 -1.081
15 C27 C C15 N Y N 0 -6.608 0.673 -0.737
16 C28 C C16 N Y N 0 -5.309 0.371 -0.384
17 C30 C C17 N N N 0 -7.072 2.106 -0.743
18 F33 F F1 N N N 0 -6.3 2.843 -1.647
19 C36 C C18 N N N 0 8.566 0.206 -1.239
20 F32 F F2 N N N 0 -8.416 2.16 -1.125
21 C8 C C19 N Y N 0 1.707 -1.512 0.453
22 C35 C C20 N N N 0 7.409 0.827 -0.453
23 N14 N N1 N N N 0 2.831 1.938 1.088
24 F31 F F3 N N N 0 -6.93 2.647 0.54
25 N21 N N2 N N N 0 -3.076 -2.571 -0.01
26 N6 N N3 N Y N 0 -0.354 -4.395 1.548
27 C34 C C21 N N N 0 6.093 0.187 -0.904
28 C39 C C22 N N N 0 5.938 0.378 -2.416
29 C38 C C23 N N N 0 7.151 -0.226 -3.127
30 O20 O O1 N N N 0 5.001 0.812 -0.227
31 O37 O O2 N N N 0 8.344 0.391 -2.638
32 C5 C C24 N Y N 0 -1.562 -4.082 1.121
33 C4 C C25 N Y N 0 -1.791 -2.894 0.438
34 C10 C C26 N Y N 0 2.804 0.604 0.665
35 C9 C C27 N Y N 0 1.686 -0.185 0.895
36 O29 O O3 N N N 0 -2.712 -0.401 0.289
37 N12 N N4 N Y N 0 3.886 -1.211 -0.396
38 C7 C C28 N N N 0 2.04 -4.019 1.855
39 O17 O O4 N N N 0 1.803 4.24 2.326
40 H1 H H1 N N N 0 -0.873 -1.098 -0.322
41 H2 H H2 N N N 0 2.867 -3.014 -0.539
42 H3 H H3 N N N 0 3.569 1.469 3.0
43 H4 H H4 N N N 0 1.798 1.611 2.89
44 H5 H H5 N N N 0 2.72 3.573 4.055
45 H6 H H6 N N N 0 3.81 3.898 2.686
46 H7 H H7 N N N 0 2.797 4.595 0.549
47 H8 H H8 N N N 0 1.025 4.741 0.478
48 H9 H H9 N N N 0 0.787 2.307 0.759
49 H10 H H10 N N N 0 1.849 2.652 -0.628
50 H11 H H11 N N N 0 -5.446 -3.003 -0.732
51 H12 H H12 N N N 0 -7.76 -2.443 -1.348
52 H13 H H13 N N N 0 -8.504 -0.098 -1.353
53 H14 H H14 N N N 0 -4.625 1.161 -0.112
54 H15 H H15 N N N 0 9.501 0.687 -0.952
55 H16 H H16 N N N 0 8.624 -0.86 -1.018
56 H17 H H17 N N N 0 7.555 0.648 0.612
57 H18 H H18 N N N 0 7.377 1.901 -0.64
58 H19 H H19 N N N 0 -3.672 -3.272 -0.319
59 H20 H H20 N N N 0 6.106 -0.877 -0.671
60 H21 H H21 N N N 0 5.03 -0.122 -2.755
61 H22 H H22 N N N 0 5.874 1.442 -2.644
62 H23 H H23 N N N 0 7.191 -1.298 -2.931
63 H24 H H24 N N N 0 7.067 -0.055 -4.2
64 H25 H H25 N N N 0 -2.384 -4.758 1.305
65 H26 H H26 N N N 0 0.82 0.216 1.401
66 H27 H H27 N N N 0 2.523 -4.658 1.115
67 H28 H H28 N N N 0 2.651 -3.132 2.023
68 H29 H H29 N N N 0 1.929 -4.567 2.791