Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 9D1

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 57


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 N1 N N1 N N N 0 -4.324 -2.778 0.105
2 N3 N N2 N Y N 0 8.095 -0.396 0.048
3 C4 C C1 N N N 0 -3.077 -0.687 -0.161
4 C5 C C2 N N N 0 -3.398 -1.855 0.775
5 C6 C C3 N N N 0 -4.844 -3.787 1.053
6 C7 C C4 N N N 0 -5.029 -5.096 0.263
7 C8 C C5 N N N 0 -4.554 -4.772 -1.172
8 C10 C C6 N Y N 0 -0.792 0.058 0.379
9 C13 C C7 N Y N 0 3.305 -1.734 -0.922
10 C15 C C8 N Y N 0 3.089 0.209 0.488
11 C17 C C9 N Y N 0 5.371 -0.598 -0.099
12 C20 C C10 N Y N 0 7.564 -1.374 -0.661
13 C21 C C11 N Y N 0 6.195 -1.512 -0.762
14 C22 C C12 N Y N 0 -4.058 2.765 -0.216
15 C24 C C13 N Y N 0 -3.198 4.789 -1.164
16 O O O1 N N N 0 -0.973 5.467 -0.664
17 C C C14 N Y N 0 -1.988 4.575 -0.519
18 C23 C C15 N Y N 0 -4.228 3.881 -1.015
19 C2 C C16 N Y N 0 -2.857 2.555 0.436
20 C1 C C17 N Y N 0 -1.822 3.458 0.287
21 C3 C C18 N N N 0 -2.677 1.341 1.311
22 N N N3 N N N 0 -2.154 0.234 0.507
23 C9 C C19 N N N 0 -3.632 -3.544 -0.963
24 S S S1 N Y N 0 0.427 1.084 1.122
25 C19 C C24 N Y N 0 7.353 0.487 0.689
26 C16 C C20 N Y N 0 1.706 0.103 0.411
27 C11 C C21 N Y N 0 1.114 -0.924 -0.333
28 N2 N N4 N Y N 0 -0.232 -0.885 -0.299
29 C14 C C22 N Y N 0 3.894 -0.707 -0.178
30 C12 C C23 N Y N 0 1.953 -1.843 -1.001
31 C18 C C25 N Y N 0 5.976 0.422 0.641
32 H2 H H2 N N N 0 -2.616 -1.068 -1.072
33 H3 H H3 N N N 0 -3.997 -0.16 -0.412
34 H4 H H4 N N N 0 -3.86 -1.474 1.686
35 H5 H H5 N N N 0 -2.478 -2.382 1.027
36 H6 H H6 N N N 0 -4.129 -3.94 1.862
37 H7 H H7 N N N 0 -5.801 -3.459 1.457
38 H8 H H8 N N N 0 -4.416 -5.888 0.695
39 H9 H H9 N N N 0 -6.078 -5.39 0.257
40 H10 H H10 N N N 0 -3.993 -5.608 -1.591
41 H11 H H11 N N N 0 -5.4 -4.519 -1.81
42 H12 H H12 N N N 0 3.931 -2.446 -1.44
43 H13 H H13 N N N 0 3.539 1.005 1.064
44 H14 H H14 N N N 0 8.209 -2.075 -1.17
45 H15 H H15 N N N 0 5.767 -2.315 -1.344
46 H16 H H16 N N N 0 -4.867 2.059 -0.097
47 H17 H H17 N N N 0 -3.332 5.66 -1.788
48 H18 H H18 N N N 0 -0.974 6.174 -0.004
49 H19 H H19 N N N 0 -5.168 4.042 -1.523
50 H20 H H20 N N N 0 -0.881 3.289 0.789
51 H21 H H21 N N N 0 -1.976 1.572 2.112
52 H22 H H22 N N N 0 -3.638 1.057 1.739
53 H23 H H23 N N N 0 -3.565 -2.954 -1.877
54 H24 H H24 N N N 0 -2.642 -3.858 -0.632
55 H25 H H25 N N N 0 1.514 -2.642 -1.581
56 H26 H H26 N N N 0 7.831 1.271 1.258
57 H27 H H27 N N N 0 5.375 1.149 1.168