Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 91U

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 62


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C47 C C47 N N N 0 3.452 2.702 0.198
2 O48 O O48 N N N 0 3.148 2.606 -0.972
3 C49 C C49 N N N 0 3.87 4.036 0.76
4 C1 C C1 N N N 0 5.37 -0.277 -0.11
5 C6 C C6 N N N 0 5.373 -1.474 0.843
6 C5 C C5 N N N 0 6.78 -1.67 1.411
7 C4 C C4 N N N 0 7.761 -1.927 0.266
8 C3 C C3 N N N 0 7.759 -0.73 -0.687
9 C2 C C2 N N N 0 6.352 -0.534 -1.255
10 N N N N N N 0 3.416 1.616 0.995
11 C15 C C15 R N N 0 3.009 0.319 0.448
12 C31 C C31 N N N 0 3.963 -0.081 -0.679
13 C14 C C14 N N N 0 1.606 0.42 -0.093
14 O32 O O32 N N N 0 1.138 1.505 -0.367
15 N1 N N1 N N N 0 0.872 -0.695 -0.273
16 C32 C C32 S N N 0 -0.506 -0.741 -0.786
17 C7 C C7 N N N 0 -1.423 0.014 0.141
18 O22 O O22 N N N 0 -0.977 0.543 1.137
19 C35 C C35 N N N 0 -0.923 -2.225 -0.847
20 C34 C C34 N N N 0 0.438 -2.969 -0.892
21 C33 C C33 N N N 0 1.314 -2.071 0.017
22 N23 N N23 N N N 0 -2.739 0.102 -0.137
23 C24 C C24 N N N 0 -3.63 0.836 0.765
24 C25 C C25 N Y N 0 -5.038 0.783 0.231
25 C26 C C26 N Y N 0 -5.488 1.767 -0.631
26 C27 C C27 N Y N 0 -6.778 1.716 -1.125
27 C28 C C28 N Y N 0 -7.623 0.689 -0.749
28 C29 C C29 N Y N 0 -7.175 -0.292 0.117
29 C30 C C30 N Y N 0 -5.882 -0.244 0.607
30 CL21 CL CL21 N N N 0 -8.236 -1.583 0.59
31 H49 H H49 N N N 0 4.104 3.927 1.819
32 H49A H H49A N N N 0 4.752 4.394 0.228
33 H49B H H49B N N N 0 3.058 4.753 0.64
34 H1 H H1 N N N 0 5.671 0.619 0.432
35 H6 H H6 N N N 0 4.674 -1.291 1.658
36 H6A H H6A N N N 0 5.072 -2.371 0.301
37 H5 H H5 N N N 0 7.081 -0.774 1.953
38 H5A H H5A N N N 0 6.782 -2.523 2.09
39 H4 H H4 N N N 0 8.764 -2.067 0.671
40 H4A H H4A N N N 0 7.46 -2.824 -0.276
41 H3 H H3 N N N 0 8.059 0.166 -0.145
42 H3A H H3A N N N 0 8.458 -0.914 -1.503
43 H2 H H2 N N N 0 6.051 -1.431 -1.797
44 H2A H H2A N N N 0 6.35 0.319 -1.934
45 HN H HN N N N 0 3.659 1.693 1.931
46 H15 H H15 N N N 0 3.041 -0.433 1.236
47 H31 H H31 N N N 0 3.621 -1.012 -1.131
48 H31A H H31A N N N 0 3.983 0.704 -1.434
49 H32 H H32 N N N 0 -0.544 -0.305 -1.785
50 H35 H H35 N N N 0 -1.503 -2.428 -1.747
51 H35A H H35A N N N 0 -1.484 -2.502 0.045
52 H34 H H34 N N N 0 0.833 -3.0 -1.908
53 H34A H H34A N N N 0 0.348 -3.974 -0.479
54 H33 H H33 N N N 0 2.368 -2.192 -0.233
55 H33A H H33A N N N 0 1.142 -2.312 1.066
56 HN23 H HN23 N N N 0 -3.095 -0.321 -0.933
57 H24 H H24 N N N 0 -3.6 0.382 1.755
58 H24A H H24A N N N 0 -3.305 1.874 0.831
59 H26 H H26 N N N 0 -4.83 2.572 -0.922
60 H27 H H27 N N N 0 -7.127 2.483 -1.801
61 H28 H H28 N N N 0 -8.632 0.652 -1.132
62 H30 H H30 N N N 0 -5.532 -1.01 1.284