Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : F0H

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 81


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C2 C C1 N N N 0 -8.853 1.431 -1.652
2 C3 C C2 S N N 0 -8.111 0.093 -1.651
3 C5 C C3 N Y N 0 -8.453 -0.693 0.7
4 C6 C C4 N Y N 0 -9.032 -1.541 1.625
5 C7 C C5 N Y N 0 -9.9 -2.533 1.206
6 C11 C C6 N Y N 0 -9.615 -1.819 -1.065
7 C13 C C7 N N N 0 -6.292 1.562 -0.961
8 C14 C C8 N N N 0 -5.005 1.8 -0.623
9 C15 C C9 N N N 0 -4.073 0.739 -0.618
10 C16 C C10 N N N 0 -4.503 -0.532 -0.961
11 C19 C C11 N Y N 0 -2.656 0.982 -0.25
12 C21 C C12 N Y N 0 -0.423 0.207 0.106
13 C23 C C13 N Y N 0 -0.979 2.423 0.403
14 C25 C C14 N Y N 0 0.765 3.984 0.966
15 C26 C C15 N Y N 0 1.149 4.931 1.916
16 C27 C C16 N Y N 0 2.491 5.179 2.119
17 C31 C C17 N N N 0 4.981 2.401 -0.8
18 C35 C C18 N N N 0 8.922 -0.469 -0.639
19 C38 C C19 R N N 0 10.848 -1.874 -0.541
20 C39 C C20 N N N 0 12.213 -1.888 -1.251
21 C40 C C21 N N N 0 13.328 -1.616 -0.264
22 C42 C C22 N N N 0 12.754 -2.814 1.857
23 C43 C C23 N N N 0 11.653 -3.514 1.679
24 O1 O O1 N N N 0 -8.895 1.953 -0.322
25 C4 C C24 N Y N 0 -8.744 -0.832 -0.644
26 CL8 CL CL1 N N N 0 -10.628 -3.598 2.368
27 C9 C C25 N Y N 0 -10.188 -2.677 -0.142
28 F10 F F1 N N N 0 -11.039 -3.642 -0.552
29 N12 N N1 N N N 0 -6.707 0.314 -1.297
30 C17 C C26 N N N 0 -5.852 -0.726 -1.304
31 O18 O O2 N N N 0 -6.248 -1.839 -1.61
32 C20 C C27 N Y N 0 -1.735 -0.068 -0.244
33 N22 N N2 N Y N 0 -0.084 1.446 0.422
34 N24 N N3 N N N 0 -0.582 3.709 0.735
35 N28 N N4 N Y N 0 3.412 4.536 1.43
36 C29 C C28 N Y N 0 3.094 3.626 0.515
37 C30 C C29 N N N 0 4.131 2.953 -0.208
38 C32 C C30 N N N 0 6.047 1.709 -1.543
39 C33 C C31 N N N 0 6.945 0.954 -0.562
40 N34 N N5 N N N 0 8.006 0.265 -1.302
41 O36 O O3 N N N 0 8.868 -0.56 0.571
42 O37 O O4 N N N 0 9.897 -1.101 -1.319
43 C41 C C32 N N N 0 13.693 -2.711 0.685
44 C44 C C33 N N N 0 11.423 -4.144 0.328
45 C45 C C34 N N N 0 10.363 -3.34 -0.421
46 C46 C C35 N Y N 0 1.761 3.325 0.249
47 N47 N N6 N Y N 0 -2.242 2.204 0.074
48 H49 H H1 N N N 0 -8.333 2.135 -2.302
49 H50 H H2 N N N 0 -9.87 1.282 -2.016
50 H51 H H3 N N N 0 -8.169 -0.355 -2.643
51 H52 H H4 N N N 0 -7.775 0.081 1.028
52 H53 H H5 N N N 0 -8.807 -1.429 2.676
53 H54 H H6 N N N 0 -9.849 -1.921 -2.115
54 H55 H H7 N N N 0 -7.001 2.377 -0.959
55 H56 H H8 N N N 0 -4.69 2.799 -0.359
56 H57 H H9 N N N 0 -3.812 -1.362 -0.965
57 H59 H H10 N N N 0 0.315 -0.582 0.121
58 H61 H H11 N N N 0 0.403 5.464 2.487
59 H62 H H12 N N N 0 2.791 5.911 2.854
60 H68 H H13 N N N 0 10.954 -1.437 0.452
61 H69 H H14 N N N 0 12.369 -2.865 -1.71
62 H70 H H15 N N N 0 12.223 -1.122 -2.026
63 H72 H H16 N N N 0 14.221 -1.355 -0.833
64 H71 H H17 N N N 0 13.046 -0.744 0.326
65 H75 H H18 N N N 0 12.972 -2.334 2.8
66 H76 H H19 N N N 0 10.935 -3.633 2.477
67 H48 H H20 N N N 0 -9.352 2.802 -0.247
68 H58 H H21 N N N 0 -2.039 -1.071 -0.507
69 H60 H H22 N N N 0 -1.24 4.417 0.807
70 H64 H H23 N N N 0 5.602 1.004 -2.246
71 H63 H H24 N N N 0 6.642 2.441 -2.091
72 H65 H H25 N N N 0 7.39 1.659 0.14
73 H66 H H26 N N N 0 6.35 0.222 -0.015
74 H67 H H27 N N N 0 8.049 0.338 -2.268
75 H74 H H28 N N N 0 13.687 -3.659 0.147
76 H73 H H29 N N N 0 14.701 -2.53 1.059
77 H77 H H30 N N N 0 12.353 -4.139 -0.24
78 H78 H H31 N N N 0 11.079 -5.17 0.458
79 H79 H H32 N N N 0 9.423 -3.371 0.131
80 H80 H H33 N N N 0 10.219 -3.761 -1.416
81 H81 H H34 N N N 0 1.503 2.585 -0.494