Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : BX3

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 64


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 -3.9 0.988 -7.005
2 C2 C C2 N N N 0 -2.885 0.503 -7.661
3 N3 N N3 N N N 0 -2.918 0.448 -9.038
4 C4 C C4 N Y N 0 -1.696 0.011 -6.929
5 C5 C C5 N Y N 0 -0.604 -0.509 -7.643
6 C6 C C6 N Y N 0 0.497 -0.966 -6.994
7 C7 C C7 N Y N 0 0.556 -0.921 -5.59
8 C8 C C8 N Y N 0 -0.539 -0.396 -4.858
9 C9 C C9 N Y N 0 -1.669 0.07 -5.547
10 C10 C C10 N Y N 0 1.685 -1.387 -4.896
11 C11 C C11 N Y N 0 1.713 -1.331 -3.536
12 C12 C C12 N Y N 0 -0.476 -0.359 -3.454
13 C13 C C13 N Y N 0 0.636 -0.815 -2.817
14 C14 C C14 N N N 0 0.702 -0.768 -1.312
15 C15 C C15 S N N 0 1.31 0.564 -0.87
16 C16 C C16 N Y N 0 1.377 0.611 0.634
17 C17 C C17 N Y N 0 0.703 1.602 1.323
18 C18 C C18 N Y N 0 0.762 1.647 2.703
19 C19 C C19 N Y N 0 1.499 0.698 3.396
20 C20 C C20 N Y N 0 2.178 -0.291 2.701
21 C21 C C21 N Y N 0 2.111 -0.336 1.322
22 C22 C C22 N N N 0 2.7 0.695 -1.439
23 O23 O O23 N N N 0 3.647 0.815 -0.698
24 O24 O O24 N N N 0 2.885 0.679 -2.768
25 O25 O O25 N N N 0 1.559 0.74 4.753
26 C26 C C26 N N N 0 0.434 0.004 5.239
27 C27 C C27 N N N 0 -0.778 0.931 5.337
28 N28 N N28 N N N 0 -1.638 -0.536 7.086
29 C29 C C29 N N N 0 -0.436 -1.38 7.126
30 C30 C C30 N N N 0 0.757 -0.563 6.623
31 C31 C C31 N N N 0 -2.416 -0.375 8.202
32 N32 N N32 N N N 0 -3.534 0.27 8.123
33 C33 C C33 N N N 0 -1.97 -0.951 9.521
34 C34 C C34 N N N 0 -1.993 0.126 5.824
35 HN1 H HN1 N N N 0 -4.679 1.31 -7.484
36 HN31 H 1HN3 N N N 0 -3.697 0.77 -9.518
37 HN32 H 2HN3 N N N 0 -2.162 0.087 -9.527
38 H5 H H5 N N N 0 -0.642 -0.547 -8.722
39 H6 H H6 N N N 0 1.329 -1.364 -7.557
40 H9 H H9 N N N 0 -2.51 0.472 -5.002
41 H10 H H10 N N N 0 2.528 -1.789 -5.439
42 H11 H H11 N N N 0 2.582 -1.69 -3.007
43 H12 H H12 N N N 0 -1.305 0.033 -2.884
44 H141 H 1H14 N N N 0 1.322 -1.588 -0.95
45 H142 H 2H14 N N N 0 -0.302 -0.863 -0.901
46 H15 H H15 N N N 0 0.69 1.384 -1.233
47 H17 H H17 N N N 0 0.13 2.341 0.783
48 H18 H H18 N N N 0 0.236 2.422 3.241
49 H20 H H20 N N N 0 2.752 -1.032 3.239
50 H21 H H21 N N N 0 2.635 -1.11 0.781
51 HO4 H HO4 N N N 0 3.777 0.764 -3.133
52 H26 H H26 N N N 0 0.212 -0.813 4.554
53 H271 H 1H27 N N N 0 -0.566 1.736 6.041
54 H272 H 2H27 N N N 0 -0.993 1.354 4.355
55 H291 H 1H29 N N N 0 -0.252 -1.704 8.151
56 H292 H 2H29 N N N 0 -0.579 -2.251 6.486
57 H301 H 1H30 N N N 0 0.955 0.255 7.315
58 H302 H 2H30 N N N 0 1.635 -1.205 6.558
59 HN3 H HN3 N N N 0 -3.788 0.7 7.292
60 H331 H 1H33 N N N 0 -2.712 -0.724 10.286
61 H332 H 2H33 N N N 0 -1.863 -2.032 9.428
62 H333 H 3H33 N N N 0 -1.012 -0.514 9.803
63 H341 H 1H34 N N N 0 -2.261 -0.619 5.075
64 H342 H 2H34 N N N 0 -2.834 0.799 5.99