Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : B8F

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 79


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C4 C C1 N N N 0 -4.867 -1.231 -1.57
2 C14 C C2 S N N 0 0.819 0.243 0.67
3 C5 C C3 N N N 0 -3.351 -1.337 -1.402
4 C6 C C4 R N N 0 -2.806 -0.07 -0.714
5 C11 C C5 N N N 0 -0.595 -0.281 -1.899
6 C7 C C6 R N N 0 -1.296 -0.274 -0.539
7 C8 C C7 R N N 0 -0.608 0.729 0.376
8 C9 C C8 N N N 0 -1.372 0.942 1.678
9 C10 C C9 N N N 0 -2.848 1.263 1.395
10 C12 C C10 N N N 0 0.882 -0.472 -1.697
11 C13 C C11 N N N 0 1.508 -0.231 -0.575
12 C3 C C12 N N N 0 -5.485 -1.044 -0.203
13 C1 C C13 R N N 0 -3.443 0.06 0.665
14 C15 C C14 S N N 0 3.011 -0.452 -0.588
15 C16 C C15 S N N 0 3.686 0.745 0.083
16 C17 C C16 N N N 0 3.105 0.938 1.479
17 C18 C C17 N N N 0 1.623 1.314 1.395
18 C19 C C18 S N N 0 3.383 -1.755 0.105
19 C2 C C19 N N N 0 -4.961 0.072 0.68
20 C20 C C20 R N N 0 4.908 -1.929 0.093
21 C21 C C21 N N N 0 5.538 -0.766 0.863
22 C22 C C22 N N N 0 5.199 0.543 0.154
23 C23 C C23 N N N 0 -5.441 -0.236 2.117
24 C24 C C24 N N N 0 -5.567 1.407 0.266
25 C25 C C25 N N N 0 -3.108 1.12 -1.617
26 C26 C C26 N N N 0 2.751 -2.942 -0.627
27 C27 C C27 N N N 0 5.272 -3.25 0.771
28 C28 C C28 N N N 0 3.428 1.979 -0.752
29 C29 C C29 N N N 0 -0.484 2.088 -0.335
30 C30 C C30 N N N 0 0.702 -0.961 1.618
31 O1 O O1 N N N 0 -6.373 -1.765 0.183
32 O2 O O2 N N N 0 2.777 1.897 -1.766
33 O3 O O3 N N N 0 3.923 3.165 -0.366
34 H1 H H1 N N N 0 -5.137 -0.41 -2.226
35 H2 H H2 N N N 0 -5.244 -2.163 -2.006
36 H3 H H3 N N N 0 -3.11 -2.204 -0.787
37 H4 H H4 N N N 0 -2.883 -1.439 -2.379
38 H5 H H5 N N N 0 -0.971 -1.127 -2.488
39 H6 H H6 N N N 0 -0.761 0.629 -2.461
40 H7 H H7 N N N 0 -1.172 -1.286 -0.104
41 H8 H H8 N N N 0 -1.361 0.063 2.319
42 H9 H H9 N N N 0 -0.936 1.784 2.224
43 H10 H H10 N N N 0 -3.349 1.407 2.355
44 H11 H H11 N N N 0 -2.928 2.171 0.815
45 H12 H H12 N N N 0 1.467 -0.828 -2.533
46 H13 H H13 N N N 0 -3.123 -0.842 1.241
47 H14 H H14 N N N 0 3.348 -0.499 -1.636
48 H15 H H15 N N N 0 3.227 0.028 2.064
49 H16 H H16 N N N 0 3.644 1.747 1.981
50 H17 H H17 N N N 0 1.531 2.3 0.963
51 H18 H H18 N N N 0 1.242 1.383 2.43
52 H19 H H19 N N N 0 3.058 -1.752 1.143
53 H20 H H20 N N N 0 5.266 -1.929 -0.935
54 H21 H H21 N N N 0 5.147 -0.747 1.88
55 H22 H H22 N N N 0 6.621 -0.896 0.893
56 H23 H H23 N N N 0 5.603 0.519 -0.861
57 H24 H H24 N N N 0 5.648 1.377 0.695
58 H25 H H25 N N N 0 -5.044 -1.201 2.434
59 H26 H H26 N N N 0 -5.088 0.542 2.793
60 H27 H H27 N N N 0 -6.531 -0.268 2.137
61 H28 H H28 N N N 0 -6.639 1.397 0.464
62 H29 H H29 N N N 0 -5.1 2.211 0.836
63 H30 H H30 N N N 0 -5.397 1.569 -0.798
64 H31 H H31 N N N 0 -4.161 1.104 -1.9
65 H32 H H32 N N N 0 -2.89 2.046 -1.084
66 H33 H H33 N N N 0 -2.49 1.063 -2.513
67 H34 H H34 N N N 0 3.023 -3.868 -0.119
68 H35 H H35 N N N 0 1.667 -2.833 -0.627
69 H36 H H36 N N N 0 3.114 -2.971 -1.654
70 H37 H H37 N N N 0 4.807 -4.076 0.231
71 H38 H H38 N N N 0 6.355 -3.376 0.763
72 H39 H H39 N N N 0 4.914 -3.241 1.8
73 H45 H H45 N N N 0 0.19 -1.777 1.108
74 H40 H H40 N N N 0 0.008 1.951 -1.298
75 H41 H H41 N N N 0 -1.477 2.509 -0.491
76 H42 H H42 N N N 0 0.106 2.767 0.28
77 H43 H H43 N N N 0 1.698 -1.287 1.916
78 H44 H H44 N N N 0 0.134 -0.673 2.503
79 H46 H H46 N N N 0 3.732 3.926 -0.932