Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : P48

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 66


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 7.348 -0.749 -1.485
2 C2 C C2 N N N 0 7.045 -0.172 -0.458
3 C8 C C8 N N N 0 3.502 3.243 -0.283
4 N3 N N3 N N N 0 7.93 -0.091 0.555
5 C4 C C4 N N N 0 9.256 -0.698 0.42
6 C5 C C5 N Y N 0 5.71 0.445 -0.324
7 N6 N N6 N Y N 0 5.427 1.737 -0.41
8 N7 N N7 N Y N 0 4.163 1.936 -0.242
9 C9 C C9 N Y N 0 3.542 0.76 -0.025
10 C10 C C10 N Y N 0 4.507 -0.223 -0.09
11 C11 C C11 N Y N 0 2.135 0.397 0.217
12 C12 C C12 N Y N 0 1.878 -0.893 0.703
13 C16 C C16 N N N 0 3.848 -2.274 -1.306
14 C13 C C13 N N N 0 2.995 -1.846 1.018
15 C14 C C14 N N N 0 4.186 -1.681 0.063
16 C15 C C15 N N N 0 5.398 -2.41 0.647
17 N17 N N17 N Y N 0 1.131 1.23 -0.009
18 C18 C C18 N Y N 0 -0.119 0.838 0.206
19 N19 N N19 N Y N 0 -0.398 -0.381 0.644
20 C20 C C20 N Y N 0 0.56 -1.259 0.9
21 N21 N N21 N N N 0 -1.156 1.724 -0.034
22 C22 C C22 N Y N 0 -2.484 1.292 0.067
23 C23 C C23 N Y N 0 -3.455 2.145 0.576
24 C24 C C24 N Y N 0 -4.765 1.718 0.676
25 C25 C C25 N Y N 0 -5.111 0.437 0.266
26 C26 C C26 N Y N 0 -4.14 -0.415 -0.243
27 C27 C C27 N Y N 0 -2.831 0.013 -0.347
28 N28 N N28 N N N 0 -6.438 0.005 0.368
29 C29 C C29 N N N 0 -6.581 -1.374 -0.119
30 C30 C C30 N N N 0 -8.027 -1.836 0.083
31 N31 N N31 N N N 0 -8.932 -0.93 -0.638
32 C32 C C32 N N N 0 -10.325 -1.383 -0.531
33 C33 C C33 N N N 0 -8.789 0.45 -0.152
34 C34 C C34 N N N 0 -7.344 0.911 -0.353
35 H3 H H3 N N N 0 7.688 0.369 1.374
36 H41C H H41C N N N 0 9.15 -1.77 0.248
37 H42C H H42C N N N 0 9.779 -0.246 -0.423
38 H43C H H43C N N N 0 9.827 -0.532 1.333
39 H81C H H81C N N N 0 3.188 3.459 -1.304
40 H82C H H82C N N N 0 2.63 3.229 0.37
41 H83C H H83C N N N 0 4.197 4.011 0.054
42 H131 H H131 N N N 0 3.326 -1.675 2.042
43 H132 H H132 N N N 0 2.621 -2.866 0.936
44 H20 H H20 N N N 0 0.314 -2.249 1.257
45 H151 H H151 N N N 0 5.671 -1.957 1.6
46 H152 H H152 N N N 0 5.15 -3.46 0.802
47 H153 H H153 N N N 0 6.237 -2.333 -0.045
48 H161 H H161 N N N 0 4.702 -2.158 -1.973
49 H162 H H162 N N N 0 3.615 -3.333 -1.196
50 H163 H H163 N N N 0 2.987 -1.754 -1.725
51 H21 H H21 N N N 0 -0.962 2.645 -0.272
52 H23 H H23 N N N 0 -3.186 3.141 0.894
53 H27 H H27 N N N 0 -2.077 -0.648 -0.747
54 H24 H H24 N N N 0 -5.519 2.381 1.072
55 H26 H H26 N N N 0 -4.409 -1.411 -0.562
56 H291 H H291 N N N 0 -6.331 -1.414 -1.179
57 H292 H H292 N N N 0 -5.91 -2.028 0.439
58 H341 H H341 N N N 0 -7.228 1.924 0.034
59 H342 H H342 N N N 0 -7.102 0.897 -1.416
60 H301 H H301 N N N 0 -8.142 -2.848 -0.304
61 H302 H H302 N N N 0 -8.268 -1.822 1.145
62 H321 H H321 N N N 0 -10.62 -1.41 0.518
63 H322 H H322 N N N 0 -10.974 -0.695 -1.073
64 H323 H H323 N N N 0 -10.416 -2.382 -0.96
65 H331 H H331 N N N 0 -9.46 1.103 -0.709
66 H332 H H332 N N N 0 -9.039 0.489 0.909