Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : H97

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 85


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 R N N 0 -6.61 -2.646 -0.598
2 F1 F F1 N N N 0 6.07 -0.508 0.57
3 O1 O O1 N N N 0 -5.462 -2.867 0.223
4 C2 C C2 N N N 0 -7.878 -2.8 0.244
5 F2 F F2 N N N 0 6.344 -2.607 1.429
6 O2 O O2 N N N 0 -8.974 -2.052 2.264
7 C3 C C3 R N N 0 -7.827 -1.843 1.437
8 F3 F F3 N N N 0 4.422 -1.444 1.846
9 O3 O O3 N N N 0 5.802 -2.563 -1.327
10 C4 C C4 N N N 0 -7.819 -0.397 0.929
11 F4 F F4 N N N 0 4.997 -4.51 0.531
12 O4 O O4 N N N 0 2.087 5.567 0.337
13 C5 C C5 N N N 0 -6.675 -0.237 -0.047
14 F5 F F5 N N N 0 3.492 -4.152 -1.15
15 C6 C C6 N N N 0 -5.797 0.751 0.088
16 F6 F F6 N N N 0 3.075 -3.347 0.948
17 C7 C C7 N N N 0 -4.632 0.827 -0.807
18 C8 C C8 N N N 0 -3.698 1.751 -0.604
19 C9 C C9 N N N 0 -3.776 2.753 0.539
20 C10 C C10 N N N 0 -6.556 -1.23 -1.182
21 C14 C C14 S N N 0 -2.489 1.877 -1.483
22 C11 C C11 N N N 0 -2.465 2.782 1.322
23 C12 C C12 N N N 0 -1.247 2.904 0.391
24 C13 C C13 R N N 0 -1.267 1.716 -0.543
25 C15 C C15 N N N 0 -2.244 0.744 -2.482
26 C16 C C16 N N N 0 -0.714 0.84 -2.742
27 C17 C C17 R N N 0 -0.105 1.538 -1.508
28 C18 C C18 N N N 0 -1.446 0.434 0.273
29 C20 C C20 R N N 0 0.971 0.647 -0.886
30 C21 C C21 N N N 0 2.061 0.365 -1.922
31 C22 C C22 N N N 0 3.035 -0.588 -1.363
32 C23 C C23 N N N 0 3.811 -1.347 -0.918
33 C24 C C24 N N N 0 4.784 -2.3 -0.359
34 C25 C C25 N N N 0 4.072 -3.605 0.0
35 C26 C C26 N N N 0 5.419 -1.702 0.898
36 C27 C C27 N N N 0 1.587 1.358 0.321
37 C28 C C28 N N N 0 2.112 2.73 -0.109
38 C29 C C29 N N N 0 2.837 3.389 1.066
39 C30 C C30 N N N 0 3.25 4.81 0.678
40 C31 C C31 N N N 0 4.195 4.757 -0.524
41 C32 C C32 N N N 0 3.963 5.475 1.858
42 H1 H H1 N N N 0 -6.623 -3.373 -1.41
43 HO1 H HO1 N N N 0 -4.621 -2.784 -0.247
44 H2 H H2 N N N 0 -8.75 -2.57 -0.368
45 H2A H H2A N N N 0 -7.95 -3.826 0.605
46 HO2 H HO2 N N N 0 -9.007 -1.477 3.041
47 H3 H H3 N N N 0 -6.923 -2.031 2.015
48 HO3 H HO3 N N N 0 5.471 -2.944 -2.152
49 H4 H H4 N N N 0 -8.762 -0.18 0.428
50 H4A H H4A N N N 0 -7.682 0.284 1.769
51 HO4 H HO4 N N N 0 2.274 6.481 0.08
52 H6 H H6 N N N 0 -5.939 1.498 0.855
53 H7 H H7 N N N 0 -4.535 0.132 -1.628
54 H9 H H9 N N N 0 -3.975 3.745 0.134
55 H9A H H9A N N N 0 -4.588 2.47 1.209
56 H10 H H10 N N N 0 -5.608 -1.083 -1.699
57 H10A H H10A N N N 0 -7.382 -1.089 -1.88
58 H11 H H11 N N N 0 -2.478 3.632 2.004
59 H11A H H11A N N N 0 -2.378 1.864 1.903
60 H12 H H12 N N N 0 -1.311 3.828 -0.183
61 H12A H H12A N N N 0 -0.33 2.896 0.98
62 H14 H H14 N N N 0 -2.471 2.848 -1.977
63 H15 H H15 N N N 0 -2.501 -0.221 -2.043
64 H15A H H15A N N N 0 -2.806 0.91 -3.4
65 H16 H H16 N N N 0 -0.291 -0.157 -2.862
66 H16A H H16A N N N 0 -0.523 1.437 -3.634
67 H17 H H17 N N N 0 0.314 2.507 -1.779
68 H18 H H18 N N N 0 -2.424 0.445 0.756
69 H18A H H18A N N N 0 -1.377 -0.43 -0.387
70 H18B H H18B N N N 0 -0.667 0.375 1.033
71 H20 H H20 N N N 0 0.524 -0.293 -0.564
72 H21 H H21 N N N 0 1.609 -0.061 -2.818
73 H21A H H21A N N N 0 2.569 1.295 -2.178
74 H27 H H27 N N N 0 0.829 1.485 1.094
75 H27A H H27A N N N 0 2.41 0.761 0.714
76 H28 H H28 N N N 0 2.804 2.61 -0.942
77 H28A H H28A N N N 0 1.276 3.358 -0.418
78 H29 H H29 N N N 0 2.173 3.427 1.929
79 H29A H H29A N N N 0 3.725 2.809 1.316
80 H31 H H31 N N N 0 4.561 5.76 -0.743
81 H31A H H31A N N N 0 5.037 4.104 -0.296
82 H31B H H31B N N N 0 3.659 4.369 -1.39
83 H32 H H32 N N N 0 3.289 5.513 2.714
84 H32A H H32A N N N 0 4.85 4.897 2.118
85 H32B H H32B N N N 0 4.256 6.487 1.581