Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : B18

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 55


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C01 C C01 N Y N 0 1.754 0.072 0.055
2 C02 C C02 N Y N 0 3.02 -0.501 0.04
3 C03 C C03 N Y N 0 4.15 0.32 0.036
4 C04 C C04 N Y N 0 3.989 1.726 0.046
5 C05 C C05 N Y N 0 2.709 2.276 0.061
6 C06 C C06 N Y N 0 1.612 1.467 0.06
7 C07 C C07 N Y N 0 5.534 0.073 0.024
8 C08 C C08 N Y N 0 6.176 1.284 0.023
9 N09 N N09 N Y N 0 5.246 2.288 0.038
10 C10 C C10 R N N 0 6.295 -1.226 0.014
11 C11 C C11 N N N 0 7.639 -1.016 0.712
12 N12 N N12 N N N 0 8.314 0.198 0.27
13 C13 C C13 N N N 0 7.649 1.346 0.007
14 O14 O O14 N N N 0 8.24 2.383 -0.23
15 C15 C C15 N N N 0 0.555 -0.79 0.06
16 O16 O O16 N N N 0 0.677 -2.0 0.056
17 N17 N N17 N N N 0 -0.673 -0.236 0.069
18 C18 C C18 N Y N 0 -1.8 -1.046 0.074
19 S19 S S19 N Y N 0 -1.786 -2.806 0.069
20 C20 C C20 N Y N 0 -3.496 -2.839 0.079
21 C21 C C21 N Y N 0 -3.964 -1.575 0.085
22 N22 N N22 N Y N 0 -3.025 -0.624 0.087
23 C23 C C23 N N N 0 -5.403 -1.264 0.094
24 N24 N N24 N N N 0 -5.816 0.019 0.099
25 O25 O O25 N N N 0 -6.22 -2.166 0.096
26 C26 C C26 N N N 0 -7.248 0.327 0.108
27 C27 C C27 N N N 0 -7.442 1.845 0.113
28 N28 N N28 N N N 0 -8.878 2.155 0.122
29 C29 C C29 N N N 0 -9.107 3.585 0.365
30 C30 C C30 N N N 0 -9.517 1.725 -1.129
31 C31 C C31 N N N 0 6.531 -1.672 -1.43
32 H02 H H02 N N N 0 3.129 -1.576 0.032
33 H05 H H05 N N N 0 2.586 3.348 0.069
34 H06 H H06 N N N 0 0.625 1.905 0.067
35 HN09 H HN09 N N N 0 5.439 3.238 0.041
36 H10 H H10 N N N 0 5.722 -1.988 0.543
37 H111 H 1H11 N N N 0 7.473 -0.955 1.788
38 H112 H 2H11 N N N 0 8.282 -1.872 0.505
39 HN12 H HN12 N N N 0 9.277 0.181 0.16
40 HN17 H HN17 N N N 0 -0.77 0.729 0.072
41 H20 H H20 N N N 0 -4.104 -3.732 0.08
42 HN24 H HN24 N N N 0 -5.165 0.738 0.097
43 H261 H 1H26 N N N 0 -7.716 -0.096 -0.781
44 H262 H 2H26 N N N 0 -7.707 -0.101 0.999
45 H271 H 1H27 N N N 0 -6.974 2.268 1.001
46 H272 H 2H27 N N N 0 -6.984 2.273 -0.779
47 H291 H 1H29 N N N 0 -8.628 4.169 -0.422
48 H292 H 2H29 N N N 0 -10.178 3.787 0.366
49 H293 H 3H29 N N N 0 -8.684 3.862 1.331
50 H301 H 1H30 N N N 0 -9.392 0.649 -1.25
51 H302 H 2H30 N N N 0 -10.58 1.966 -1.096
52 H303 H 3H30 N N N 0 -9.053 2.241 -1.97
53 H311 H 1H31 N N N 0 7.108 -0.911 -1.955
54 H312 H 2H31 N N N 0 7.081 -2.613 -1.434
55 H313 H 3H31 N N N 0 5.572 -1.81 -1.929