Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : VS2

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 C1 C C1 N Y N 0 -1.487 -0.68 -7.079
2 C2 C C2 N Y N 0 -2.725 -1.245 -7.318
3 C3 C C3 N Y N 0 -2.88 -2.165 -8.338
4 C4 C C4 N Y N 0 -1.796 -2.519 -9.12
5 C5 C C5 N Y N 0 -0.558 -1.954 -8.881
6 C6 C C6 N Y N 0 -0.404 -1.031 -7.864
7 C7 C C7 N N N 0 -1.318 0.322 -5.967
8 O1 O O1 N N N 0 -0.969 -0.37 -4.739
9 C8 C C8 N N N 0 -0.768 0.328 -3.606
10 O2 O O2 N N N 0 -0.878 1.538 -3.611
11 N1 N N1 N N N 0 -0.449 -0.315 -2.465
12 C9 C C9 S N N 0 -0.236 0.444 -1.231
13 C10 C C10 N N N 0 -1.563 0.582 -0.482
14 C11 C C11 N Y N 0 -2.558 1.306 -1.351
15 C12 C C12 N Y N 0 -3.38 0.592 -2.204
16 C13 C C13 N Y N 0 -4.293 1.256 -3.001
17 C14 C C14 N Y N 0 -4.385 2.634 -2.947
18 C15 C C15 N Y N 0 -3.564 3.348 -2.094
19 C16 C C16 N Y N 0 -2.654 2.684 -1.293
20 C17 C C17 N N N 0 0.758 -0.279 -0.361
21 O3 O O3 N N N 0 1.242 -1.326 -0.736
22 N2 N N2 N N N 0 1.111 0.237 0.832
23 C18 C C18 S N N 0 2.078 -0.466 1.677
24 C19 C C19 N N N 0 3.492 0.011 1.341
25 C20 C C20 N N N 0 3.793 -0.281 -0.129
26 C21 C C21 N Y N 0 5.185 0.189 -0.461
27 C22 C C22 N Y N 0 6.259 -0.667 -0.31
28 C23 C C23 N Y N 0 7.537 -0.235 -0.614
29 C24 C C24 N Y N 0 7.74 1.053 -1.069
30 C25 C C25 N Y N 0 6.666 1.91 -1.22
31 C26 C C26 N Y N 0 5.388 1.477 -0.921
32 C28 C C28 N N N 0 0.363 -0.652 3.485
33 S1 S S1 N N N 0 0.007 -0.305 5.23
34 O4 O O4 N N N 0 0.859 -1.1 6.043
35 O5 O O5 N N N 0 -0.033 1.102 5.422
36 C29 C C29 N N N 0 -1.68 -0.962 5.324
37 C30 C C30 N Y N 0 -2.212 -0.784 6.722
38 C31 C C31 N Y N 0 -2.891 0.371 7.061
39 C32 C C32 N Y N 0 -3.378 0.535 8.344
40 C33 C C33 N Y N 0 -3.187 -0.456 9.288
41 C34 C C34 N Y N 0 -2.509 -1.612 8.949
42 C35 C C35 N Y N 0 -2.026 -1.778 7.665
43 C27 C C27 N N N 0 1.777 -0.174 3.149
44 H21 H 1H2 N N N 0 -3.572 -0.968 -6.708
45 H31 H 1H3 N N N 0 -3.848 -2.607 -8.525
46 H41 H 1H4 N N N 0 -1.917 -3.239 -9.916
47 H51 H 1H5 N N N 0 0.288 -2.231 -9.491
48 H61 H 1H6 N N N 0 0.563 -0.589 -7.677
49 H71 H 1H7 N N N 0 -2.251 0.867 -5.824
50 H72 H 2H7 N N N 0 -0.524 1.023 -6.227
51 HN11 H 1HN1 N N N 0 -0.361 -1.281 -2.462
52 H91 H 1H9 N N N 0 0.147 1.435 -1.475
53 H101 H 1H10 N N N 0 -1.947 -0.408 -0.237
54 H102 H 2H10 N N N 0 -1.405 1.147 0.436
55 H121 H 1H12 N N N 0 -3.308 -0.484 -2.246
56 H131 H 1H13 N N N 0 -4.934 0.698 -3.668
57 H141 H 1H14 N N N 0 -5.097 3.153 -3.571
58 H151 H 1H15 N N N 0 -3.636 4.425 -2.051
59 H161 H 1H16 N N N 0 -2.013 3.242 -0.627
60 HN21 H 1HN2 N N N 0 0.724 1.074 1.131
61 H181 H 1H18 N N N 0 2.005 -1.539 1.498
62 H191 H 1H19 N N N 0 3.565 1.084 1.52
63 H192 H 2H19 N N N 0 4.212 -0.512 1.97
64 H201 H 1H20 N N N 0 3.72 -1.353 -0.309
65 H202 H 2H20 N N N 0 3.073 0.242 -0.759
66 H221 H 1H22 N N N 0 6.1 -1.675 0.044
67 H231 H 1H23 N N N 0 8.375 -0.905 -0.496
68 H241 H 1H24 N N N 0 8.738 1.391 -1.306
69 H251 H 1H25 N N N 0 6.826 2.918 -1.575
70 H261 H 1H26 N N N 0 4.55 2.147 -1.039
71 H281 H 1H28 N N N 0 -0.356 -0.128 2.856
72 H282 H 2H28 N N N 0 0.29 -1.724 3.306
73 H291 H 1H29 N N N 0 -2.319 -0.426 4.621
74 H292 H 2H29 N N N 0 -1.672 -2.022 5.071
75 H341 H 1H34 N N N 0 -2.36 -2.386 9.686
76 H311 H 1H31 N N N 0 -3.04 1.146 6.324
77 H321 H 1H32 N N N 0 -3.908 1.438 8.61
78 H331 H 1H33 N N N 0 -3.568 -0.328 10.291
79 H351 H 1H35 N N N 0 -1.496 -2.681 7.4
80 H271 H 1H27 N N N 0 2.497 -0.697 3.778
81 H272 H 2H27 N N N 0 1.85 0.898 3.328