Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : S51

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 C1 C C1 N Y N 0 -5.003 -1.308 -1.673
2 C2 C C2 N Y N 0 -4.825 -1.233 -0.303
3 C3 C C3 N Y N 0 -3.553 -1.135 0.225
4 C4 C C4 N Y N 0 -2.452 -1.112 -0.62
5 C5 C C5 N Y N 0 -2.633 -1.188 -1.995
6 C6 C C6 N Y N 0 -3.908 -1.285 -2.517
7 N12 N N12 N Y N 0 -1.16 -1.012 -0.087
8 C13 C C13 N Y N 0 -0.557 -1.97 0.704
9 C14 C C14 N Y N 0 0.725 -1.499 1.031
10 C15 C C15 N Y N 0 0.852 -0.183 0.378
11 C16 C C16 N Y N 0 -0.322 0.038 -0.28
12 C17 C C17 N Y N 0 -0.972 -3.207 1.184
13 C18 C C18 N Y N 0 -0.127 -3.958 1.972
14 C19 C C19 N Y N 0 1.139 -3.492 2.295
15 C20 C C20 N Y N 0 1.568 -2.268 1.829
16 C26 C C26 N Y N 0 -1.2 2.335 -0.195
17 C29 C C29 N Y N 0 -0.37 3.322 0.303
18 C30 C C30 N Y N 0 -0.884 4.308 1.124
19 C31 C C31 N Y N 0 -2.228 4.307 1.447
20 C32 C C32 N Y N 0 -3.059 3.321 0.948
21 C33 C C33 N Y N 0 -2.544 2.334 0.128
22 C39 C C39 N N N 0 2.016 0.711 0.423
23 N40 N N40 N N N 0 3.006 0.576 -0.482
24 O41 O O41 N N N 0 2.087 1.575 1.278
25 C42 C C42 N N N 0 4.126 1.528 -0.524
26 C43 C C43 N N N 0 5.438 0.736 -0.507
27 N44 N N44 N N N 0 5.423 -0.253 -1.592
28 C45 C C45 N N N 0 4.35 -1.238 -1.401
29 C46 C C46 N N N 0 2.997 -0.531 -1.45
30 C60 C C60 N N N 0 -0.641 1.264 -1.096
31 H1 H H1 N N N 0 -5.998 -1.389 -2.083
32 H2 H H2 N N N 0 -5.682 -1.252 0.354
33 H3 H H3 N N N 0 -3.415 -1.076 1.295
34 H5 H H5 N N N 0 -1.778 -1.169 -2.655
35 H6 H H6 N N N 0 -4.05 -1.344 -3.586
36 H17 H H17 N N N 0 -1.956 -3.58 0.939
37 H18 H H18 N N N 0 -0.454 -4.919 2.342
38 H19 H H19 N N N 0 1.791 -4.091 2.913
39 H20 H H20 N N N 0 2.555 -1.908 2.082
40 H29 H H29 N N N 0 0.68 3.322 0.051
41 H30 H H30 N N N 0 -0.236 5.078 1.514
42 H31 H H31 N N N 0 -2.63 5.077 2.089
43 H32 H H32 N N N 0 -4.109 3.32 1.201
44 H33 H H33 N N N 0 -3.193 1.563 -0.262
45 H42 H H42 N N N 0 4.068 2.122 -1.436
46 H42A H H42A N N N 0 4.082 2.183 0.346
47 H43 H H43 N N N 0 6.276 1.419 -0.649
48 H43A H H43A N N N 0 5.542 0.225 0.45
49 HN44 H HN44 N N N 0 5.344 0.197 -2.492
50 H45 H H45 N N N 0 4.399 -1.988 -2.19
51 H45A H H45A N N N 0 4.47 -1.722 -0.431
52 H46 H H46 N N N 0 2.207 -1.237 -1.192
53 H46A H H46A N N N 0 2.828 -0.139 -2.453
54 H60 H H60 N N N 0 0.268 1.629 -1.574
55 H60A H H60A N N N 0 -1.376 1.011 -1.86