Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : D66

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 50


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N N N 0 7.079 -1.73 0.56
2 N1 N N1 N N N 0 0.811 0.61 1.36
3 O1 O O1 N N N 0 6.299 -1.626 -0.633
4 C2 C C2 N Y N 0 5.227 -0.792 -0.598
5 N2 N N2 N N N 0 -2.278 0.133 -0.148
6 O2 O O2 N N N 0 -0.374 3.153 0.643
7 C3 C C3 N Y N 0 4.426 -0.643 -1.721
8 O3 O O3 N N N 0 -2.339 1.649 1.471
9 C4 C C4 N Y N 0 3.336 0.206 -1.683
10 O4 O O4 N N N 0 -1.806 -1.621 1.742
11 C5 C C5 N Y N 0 3.044 0.906 -0.528
12 O5 O O5 N N N 0 -3.878 -2.289 2.122
13 C6 C C6 N N N 0 1.855 1.831 -0.489
14 C7 C C7 R N N 0 0.619 1.055 -0.027
15 C8 C C8 S N N 0 -0.611 1.96 -0.107
16 C9 C C9 N N N 0 -1.804 1.237 0.463
17 C10 C C10 S N N 0 -3.438 -0.57 0.406
18 C11 C C11 N N N 0 -4.146 -1.343 -0.709
19 C12 C C12 N N N 0 -4.683 -0.359 -1.75
20 C13 C C13 N N N 0 -5.262 -1.136 -2.935
21 C14 C C14 N N N 0 -5.78 0.502 -1.12
22 C15 C C15 N N N 0 -2.981 -1.531 1.472
23 C16 C C16 N Y N 0 3.84 0.759 0.593
24 C17 C C17 N Y N 0 4.928 -0.093 0.562
25 H1 H H1 N N N 0 6.451 -2.094 1.374
26 H1A H H1A N N N 0 7.902 -2.426 0.397
27 H1B H H1B N N N 0 7.478 -0.75 0.82
28 HN1 H HN1 N N N 0 0.948 1.397 1.976
29 HN1A H HN1A N N N 0 0.037 0.041 1.667
30 HN2 H HN2 N N N 0 -1.851 -0.196 -0.954
31 HO2 H HO2 N N N 0 -0.194 2.999 1.58
32 H3 H H3 N N N 0 4.654 -1.189 -2.624
33 H4 H H4 N N N 0 2.713 0.322 -2.557
34 H10 H H10 N N N 0 -4.128 0.154 0.84
35 HO5 H HO5 N N N 0 -3.537 -2.891 2.798
36 H6 H H6 N N N 0 2.052 2.647 0.206
37 H6A H H6A N N N 0 1.677 2.236 -1.485
38 H7 H H7 N N N 0 0.474 0.186 -0.67
39 H8 H H8 N N N 0 -0.806 2.218 -1.148
40 H11 H H11 N N N 0 -3.44 -2.024 -1.183
41 H11A H H11A N N N 0 -4.973 -1.913 -0.287
42 H12 H H12 N N N 0 -3.873 0.282 -2.097
43 H13 H H13 N N N 0 -6.039 -1.813 -2.58
44 H13A H H13A N N N 0 -5.689 -0.437 -3.654
45 H13B H H13B N N N 0 -4.47 -1.711 -3.414
46 H14 H H14 N N N 0 -5.368 1.055 -0.276
47 H14A H H14A N N N 0 -6.163 1.202 -1.862
48 H14B H H14B N N N 0 -6.591 -0.14 -0.773
49 H16 H H16 N N N 0 3.609 1.307 1.495
50 H17 H H17 N N N 0 5.549 -0.207 1.438