Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 59D

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 65


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C01 C C10 N N N 0 7.087 -2.53 -0.409
2 C02 C C11 S N N 0 6.16 -2.761 0.786
3 C03 C C12 N Y N 0 4.738 -2.885 0.303
4 C04 C C13 N Y N 0 4.259 -4.108 -0.129
5 C05 C C14 N Y N 0 2.955 -4.226 -0.574
6 C06 C C15 N Y N 0 2.126 -3.121 -0.586
7 C07 C C16 N Y N 0 2.604 -1.891 -0.153
8 C08 C C17 N N N 0 0.455 -0.906 0.113
9 C09 C C18 N Y N 0 -0.407 0.289 0.207
10 C1 C C28 N Y N 0 3.913 -1.778 0.298
11 C10 C C1 N N N 0 -0.997 3.792 0.082
12 C11 C C19 N Y N 0 0.415 4.227 -0.216
13 C12 C C20 N Y N 0 0.839 4.346 -1.526
14 C13 C C2 N Y N 0 2.134 4.745 -1.8
15 C14 C C21 N Y N 0 3.007 5.021 -0.762
16 C15 C C3 N Y N 0 2.583 4.896 0.55
17 C16 C C22 N Y N 0 1.288 4.497 0.822
18 C17 C C4 N Y N 0 -2.149 1.617 0.467
19 C18 C C23 R N N 0 -3.552 2.108 0.712
20 C19 C C24 N N N 0 -3.513 3.347 1.609
21 C20 C C5 N N N 0 -4.35 0.997 1.406
22 C21 C C6 N N N 0 -2.724 -0.831 0.762
23 C22 C C7 N Y N 0 -1.783 0.312 0.486
24 C23 C C25 N N N 0 -5.084 -0.938 0.091
25 C24 C C8 N Y N 0 -4.844 -2.278 -0.456
26 C25 C C26 N Y N 0 -5.651 -2.95 -1.349
27 C26 C C9 N Y N 0 -5.047 -4.187 -1.598
28 C27 C C27 N Y N 0 -3.904 -4.245 -0.873
29 F F F1 N N N 0 4.273 5.41 -1.029
30 H1 H H1 N N N 0 -3.042 -2.878 0.432
31 H10 H H10 N N N 0 -5.423 -4.957 -2.254
32 H11 H H11 N N N 0 8.115 -2.441 -0.06
33 H12 H H12 N N N 0 7.008 -3.371 -1.098
34 H13 H H13 N N N 0 6.796 -1.613 -0.922
35 H14 H H14 N N N 0 6.239 -1.92 1.475
36 H15 H H15 N N N 0 7.447 -3.955 1.796
37 H16 H H16 N N N 0 4.905 -4.973 -0.12
38 H17 H H17 N N N 0 2.584 -5.182 -0.911
39 H18 H H18 N N N 0 1.108 -3.213 -0.933
40 H19 H H19 N N N 0 2.131 0.104 -0.372
41 H2 H H2 N N N 0 -1.655 4.119 -0.723
42 H20 H H20 N N N 0 0.159 4.128 -2.336
43 H21 H H21 N N N 0 0.957 4.4 1.845
44 H22 H H22 N N N 0 -4.023 2.357 -0.239
45 H23 H H23 N N N 0 -3.084 4.182 1.055
46 H24 H H24 N N N 0 -4.525 3.601 1.922
47 H25 H H25 N N N 0 -2.901 3.141 2.487
48 H26 H H26 N N N 0 -6.575 -2.59 -1.776
49 H27 H H27 N N N 0 -3.214 -5.075 -0.853
50 H28 H H28 N N N 0 4.286 -0.824 0.64
51 H3 H H3 N N N 0 -1.324 4.238 1.021
52 H4 H H4 N N N 0 2.465 4.838 -2.824
53 H5 H H5 N N N 0 3.263 5.111 1.36
54 H6 H H6 N N N 0 -4.042 0.924 2.449
55 H7 H H7 N N N 0 -5.415 1.228 1.356
56 H8 H H8 N N N 0 -2.612 -1.598 -0.0040
57 H9 H H9 N N N 0 -2.518 -1.255 1.745
58 N01 N N2 N N N 0 1.767 -0.77 -0.164
59 N02 N N3 N Y N 0 -0.034 1.547 0.044
60 N03 N N4 N Y N 0 -1.045 2.332 0.191
61 N04 N N5 N N N 0 -4.094 -0.283 0.728
62 N1 N N1 N Y N 0 -3.772 -3.093 -0.17
63 O01 O O1 N N N 0 6.541 -3.964 1.458
64 O02 O O2 N N N 0 -0.019 -2.012 0.285
65 O1 O O3 N N N 0 -6.178 -0.418 -0.031