Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : XME

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 65


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 -0.636 -0.817 4.188
2 C2 C C2 N Y N 0 -0.8 0.26 3.374
3 C3 C C3 N Y N 0 -0.472 0.691 6.094
4 C4 C C4 N Y N 0 -0.65 1.779 5.222
5 C5 C C5 N Y N 0 -0.809 1.555 3.89
6 C6 C C6 N Y N 0 -0.463 -0.625 5.57
7 CL7 CL CL7 N N N 0 0.069 0.046 9.998
8 C8 C C8 N Y N 0 -0.286 -1.713 6.441
9 C9 C C9 N Y N 0 -0.305 0.883 7.476
10 C10 C C10 N Y N 0 -0.127 -1.489 7.774
11 C11 C C11 N Y N 0 -0.136 -0.194 8.291
12 S12 S S12 N N N 0 -1.01 0.015 1.641
13 O13 O O13 N N N 0 -1.671 1.178 1.164
14 C14 C C14 N N N 0 1.757 1.035 -0.856
15 O15 O O15 N N N 0 2.105 1.987 -1.522
16 C16 C C16 N N N 0 1.096 1.29 0.47
17 N17 N N17 S N N 0 0.495 0.038 0.952
18 C18 C C18 N N N 0 1.531 -1.42 -0.694
19 C19 C C19 N N N 0 1.286 -1.193 0.798
20 N20 N N20 N N N 0 1.971 -0.189 -1.338
21 O21 O O21 N N N 0 -1.481 -1.317 1.494
22 C22 C C22 N N N 0 2.706 -0.306 -2.6
23 C23 C C23 N Y N 0 -3.875 -0.921 -6.831
24 N24 N N24 N N N 0 -1.062 -0.115 -4.613
25 C25 C C25 N Y N 0 -1.986 -0.051 -5.652
26 C26 C C26 N Y N 0 -2.979 -1.021 -5.787
27 C27 C C27 N N N 0 -0.174 1.041 -4.766
28 C28 C C28 N Y N 0 -1.946 0.987 -6.581
29 C29 C C29 N N N 0 -0.255 -1.318 -4.84
30 C30 C C30 N N N 0 1.723 -0.237 -3.771
31 C31 C C31 N N N 0 2.486 -0.222 -5.07
32 N32 N N32 N N N 0 3.765 -0.217 -5.061
33 O33 O O33 N N N 0 4.482 -0.203 -6.282
34 C34 C C34 N N N 0 0.879 1.035 -3.657
35 N35 N N35 N Y N 0 -3.801 0.074 -7.694
36 C36 C C36 N Y N 0 -2.875 1.011 -7.6
37 C37 C C37 N N N 0 0.793 -1.454 -3.735
38 H1 H H1 N N N 0 -0.635 -1.815 3.775
39 H4 H H4 N N N 0 -0.658 2.788 5.608
40 H5 H H5 N N N 0 -0.945 2.392 3.222
41 H8 H H8 N N N 0 -0.277 -2.721 6.055
42 H9 H H9 N N N 0 -0.31 1.881 7.89
43 H10 H H10 N N N 0 0.008 -2.328 8.441
44 H161 H 1H16 N N N 0 0.32 2.047 0.354
45 H162 H 2H16 N N N 0 1.843 1.636 1.185
46 H181 H 1H18 N N N 0 0.607 -1.759 -1.162
47 H182 H 2H18 N N N 0 2.298 -2.184 -0.82
48 H191 H 1H19 N N N 0 0.736 -2.038 1.212
49 H192 H 2H19 N N N 0 2.24 -1.085 1.315
50 H221 H 1H22 N N N 0 3.235 -1.259 -2.626
51 H222 H 2H22 N N N 0 3.423 0.51 -2.68
52 H23 H H23 N N N 0 -4.648 -1.667 -6.943
53 H26 H H26 N N N 0 -3.046 -1.838 -5.085
54 H271 H 1H27 N N N 0 -0.76 1.958 -4.705
55 H272 H 2H27 N N N 0 0.319 0.992 -5.736
56 H28 H H28 N N N 0 -1.192 1.757 -6.51
57 H291 H 1H29 N N N 0 -0.902 -2.196 -4.835
58 H292 H 2H29 N N N 0 0.243 -1.243 -5.806
59 H31 H H31 N N N 0 1.952 -0.216 -6.009
60 H33 H H33 N N N 0 5.422 -0.2 -6.055
61 H341 H 1H34 N N N 0 0.385 1.059 -2.685
62 H342 H 2H34 N N N 0 1.522 1.909 -3.761
63 H36 H H36 N N N 0 -2.849 1.809 -8.327
64 H371 H 1H37 N N N 0 1.376 -2.362 -3.896
65 H372 H 2H37 N N N 0 0.297 -1.506 -2.766