Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : RI9

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 49


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 O1 O O1 N N N 0 -0.537 0.126 0.097
2 C2 C C2 N N N 0 -1.04 -0.98 0.131
3 N3 N N3 N N N 0 -2.382 -1.109 0.152
4 C4 C C4 N Y N 0 -3.191 0.015 0.023
5 N5 N N5 N Y N 0 -2.655 1.207 -0.232
6 C6 C C6 N Y N 0 -3.414 2.276 -0.356
7 N7 N N7 N Y N 0 -4.725 2.219 -0.234
8 C8 C C8 N Y N 0 -5.337 1.064 0.021
9 C9 C C9 N Y N 0 -4.571 -0.091 0.154
10 N10 N N10 N N N 0 -6.716 1.012 0.148
11 N11 N N11 N N N 0 -0.257 -2.076 0.142
12 C12 C C12 N Y N 0 1.132 -1.947 0.0080
13 C13 C C13 N Y N 0 1.819 -1.006 0.762
14 C14 C C14 N Y N 0 3.196 -0.882 0.626
15 C15 C C15 N Y N 0 3.881 -1.698 -0.263
16 C16 C C16 N Y N 0 3.195 -2.635 -1.013
17 C17 C C17 N Y N 0 1.825 -2.766 -0.877
18 F18 F F18 N N N 0 1.159 -3.686 -1.608
19 F19 F F19 N N N 0 1.15 -0.212 1.627
20 N20 N N20 N N N 0 3.892 0.067 1.385
21 S21 S S21 N N N 0 5.189 0.862 0.73
22 C22 C C22 N N N 0 4.507 1.731 -0.709
23 O23 O O23 N N N 0 5.576 1.789 1.735
24 O24 O O24 N N N 0 6.064 -0.178 0.315
25 C25 C C25 N N N 0 5.621 2.512 -1.409
26 C26 C C26 N N N 0 5.046 3.245 -2.622
27 C27 C C27 N N N 0 -7.378 -0.264 0.429
28 C28 C C28 N N N 0 -8.89 -0.045 0.52
29 O29 O O29 N N N 0 -9.389 0.367 -0.754
30 HN3 H HN3 N N N 0 -2.783 -1.986 0.257
31 H6 H H6 N N N 0 -2.948 3.229 -0.562
32 H9 H H9 N N N 0 -5.037 -1.044 0.356
33 HN10 H HN10 N N N 0 -7.243 1.821 0.052
34 HN11 H HN11 N N N 0 -0.655 -2.955 0.244
35 H15 H H15 N N N 0 4.952 -1.601 -0.369
36 H16 H H16 N N N 0 3.731 -3.269 -1.704
37 HN20 H HN20 N N N 0 3.615 0.259 2.295
38 H22 H H22 N N N 0 4.081 1.006 -1.403
39 H22A H H22A N N N 0 3.729 2.421 -0.382
40 H25 H H25 N N N 0 6.047 3.237 -0.715
41 H25A H H25A N N N 0 6.398 1.822 -1.736
42 H26 H H26 N N N 0 5.839 3.802 -3.12
43 H26A H H26A N N N 0 4.62 2.52 -3.316
44 H26B H H26B N N N 0 4.268 3.935 -2.295
45 H27 H H27 N N N 0 -7.161 -0.97 -0.372
46 H27A H H27A N N N 0 -7.011 -0.663 1.375
47 H28 H H28 N N N 0 -9.375 -0.975 0.816
48 H28A H H28A N N N 0 -9.101 0.726 1.26
49 HO29 H HO29 N N N 0 -10.343 0.525 -0.77