Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 99S

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 54


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 O31 O O1 N N N 0 6.882 -0.012 -0.091
2 C30 C C1 N N N 0 5.795 0.531 -0.033
3 O32 O O2 N N N 0 5.715 1.876 0.035
4 C33 C C2 N N N 0 6.948 2.599 0.043
5 C28 C C3 N Y N 0 4.574 -0.274 -0.045
6 C27 C C4 N Y N 0 4.531 -1.64 -0.112
7 C21 C C7 N Y N 0 0.82 -1.579 -0.024
8 C26 C C5 N Y N 0 3.271 -2.173 -0.11
9 S29 S S1 N Y N 0 2.938 0.365 0.032
10 C25 C C6 N Y N 0 2.262 -1.257 -0.041
11 C20 C C8 N Y N 0 0.4 -2.907 -0.08
12 C19 C C9 N Y N 0 -0.962 -3.202 -0.064
13 C23 C C10 N N N 0 -1.402 -4.563 -0.121
14 N24 N N1 N N N 0 -1.751 -5.643 -0.166
15 C18 C C11 N Y N 0 -1.897 -2.166 0.01
16 C22 C C12 N Y N 0 -0.126 -0.554 0.055
17 C17 C C13 N Y N 0 -1.474 -0.853 0.065
18 C4 C C14 S N N 0 -2.488 0.259 0.15
19 C14 C C15 N N N 0 -3.888 -0.332 0.327
20 C16 C C16 N N N 0 -3.973 -1.046 1.677
21 C15 C C17 N N N 0 -4.926 0.791 0.277
22 C3 C C18 N N N 0 -2.163 1.156 1.317
23 C8 C C19 N N N 0 -1.885 0.553 2.586
24 N9 N N2 N N N 0 -1.664 0.074 3.592
25 C2 C C20 N N N 0 -2.122 2.501 1.222
26 N7 N N3 N N N 0 -1.819 3.213 2.356
27 C5 C C21 N Y N 0 -2.441 1.088 -1.108
28 C10 C C22 N Y N 0 -2.447 0.697 -2.392
29 C13 C C23 N N N 0 -2.503 -0.725 -2.889
30 N11 N N4 N Y N 0 -2.394 1.81 -3.159
31 N12 N N5 N Y N 0 -2.353 2.925 -2.308
32 C6 C C24 N Y N 0 -2.381 2.498 -1.079
33 O1 O O3 N N N 0 -2.357 3.195 0.09
34 H1 H H1 N N N 0 6.742 3.668 0.101
35 H2 H H2 N N N 0 7.542 2.296 0.905
36 H3 H H3 N N N 0 7.501 2.385 -0.872
37 H4 H H4 N N N 0 5.421 -2.249 -0.163
38 H5 H H5 N N N 0 3.089 -3.236 -0.159
39 H6 H H6 N N N 0 1.127 -3.703 -0.137
40 H7 H H7 N N N 0 -2.953 -2.393 0.023
41 H8 H H8 N N N 0 0.198 0.475 0.103
42 H9 H H9 N N N 0 -4.086 -1.045 -0.474
43 H10 H H10 N N N 0 -3.922 -0.312 2.481
44 H11 H H11 N N N 0 -4.916 -1.59 1.742
45 H12 H H12 N N N 0 -3.143 -1.746 1.771
46 H13 H H13 N N N 0 -4.854 1.31 -0.678
47 H14 H H14 N N N 0 -5.925 0.368 0.387
48 H15 H H15 N N N 0 -4.738 1.495 1.089
49 H16 H H16 N N N 0 -1.643 2.747 3.188
50 H17 H H17 N N N 0 -1.78 4.182 2.325
51 H18 H H18 N N N 0 -3.539 -1.062 -2.909
52 H19 H H19 N N N 0 -2.084 -0.775 -3.894
53 H20 H H20 N N N 0 -1.925 -1.365 -2.222
54 H21 H H21 N N N 0 -2.384 1.833 -4.129