Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 022

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 53


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 -5.704 0.932 -0.416
2 N2 N N2 N Y N 0 -5.283 -0.342 -0.205
3 C3 C C3 N Y N 0 -6.402 -1.134 -0.17
4 C4 C C4 N Y N 0 -7.46 -0.323 -0.36
5 N5 N N5 N Y N 0 -7.006 0.93 -0.507
6 C11 C C11 N Y N 0 -3.956 -0.767 -0.052
7 C13 C C13 N Y N 0 -3.679 -2.113 0.154
8 C14 C C14 N Y N 0 -2.375 -2.535 0.304
9 C15 C C15 N Y N 0 -1.333 -1.608 0.25
10 C16 C C16 N Y N 0 -1.615 -0.256 0.043
11 C17 C C17 N Y N 0 -2.921 0.158 -0.112
12 C24 C C24 N Y N 0 0.066 -2.056 0.412
13 C26 C C26 N Y N 0 0.488 -3.347 0.517
14 C27 C C27 N Y N 0 1.886 -3.322 0.655
15 C28 C C28 N Y N 0 2.28 -2.031 0.63
16 N29 N N29 N Y N 0 1.173 -1.244 0.476
17 C35 C C35 N N N 0 3.7 -1.541 0.747
18 C37 C C37 N N N 0 4.363 -1.564 -0.632
19 C38 C C38 N N N 0 5.783 -1.074 -0.515
20 O41 O O41 N N N 0 6.22 -0.74 0.561
21 O43 O O43 N N N 0 6.562 -1.007 -1.606
22 C45 C C45 N Y N 0 1.168 0.151 0.4
23 C47 C C47 N Y N 0 1.277 0.779 -0.836
24 C48 C C48 N Y N 0 1.271 2.153 -0.915
25 C49 C C49 N Y N 0 1.157 2.918 0.249
26 C50 C C50 N Y N 0 1.049 2.284 1.489
27 C51 C C51 N Y N 0 1.049 0.908 1.56
28 C58 C C58 N N N 0 1.152 4.392 0.169
29 O59 O O59 N N N 0 1.247 4.942 -0.911
30 N62 N N62 N N N 0 1.042 5.128 1.293
31 C64 C C64 N N N 0 1.4 -0.046 -2.091
32 H1 H H1 N N N 0 -5.068 1.801 -0.492
33 H3 H H3 N N N 0 -6.429 -2.203 -0.02
34 H4 H H4 N N N 0 -8.495 -0.629 -0.39
35 H13 H H13 N N N 0 -4.486 -2.83 0.196
36 H14 H H14 N N N 0 -2.161 -3.581 0.464
37 H16 H H16 N N N 0 -0.812 0.464 0.001
38 H17 H H17 N N N 0 -3.14 1.202 -0.276
39 H26 H H26 N N N 0 -0.138 -4.227 0.499
40 H27 H H27 N N N 0 2.531 -4.183 0.761
41 H35 H H35 N N N 0 3.702 -0.522 1.134
42 H35A H H35A N N N 0 4.253 -2.189 1.426
43 H37 H H37 N N N 0 4.36 -2.583 -1.019
44 H37A H H37A N N N 0 3.809 -0.916 -1.312
45 HO43 H HO43 N N N 0 7.465 -0.686 -1.482
46 H48 H H48 N N N 0 1.356 2.64 -1.875
47 H50 H H50 N N N 0 0.961 2.871 2.391
48 H51 H H51 N N N 0 0.961 0.417 2.518
49 HN62 H HN62 N N N 0 0.966 4.688 2.155
50 HN6A H HN6A N N N 0 1.038 6.096 1.24
51 H64 H H64 N N N 0 0.407 -0.255 -2.488
52 H64A H H64A N N N 0 1.98 0.504 -2.833
53 H64B H H64B N N N 0 1.904 -0.985 -1.861