Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : AND

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 C1 C C1 N N N 0 1.325 -0.869 -2.372
2 C2 C C2 N N N 0 1.345 -0.34 -3.807
3 C3 C C3 S N N 0 -0.065 -0.391 -4.395
4 O3 O O3 N N N 0 -0.026 0.021 -5.763
5 C4 C C4 N N N 0 -0.981 0.547 -3.605
6 C5 C C5 N N N 0 -0.911 0.161 -2.137
7 C6 C C6 N N N 0 -2.026 -0.039 -1.499
8 C7 C C7 N N N 0 -2.081 -0.431 -0.051
9 C8 C C8 R N N 0 -0.821 0.076 0.657
10 C9 C C9 S N N 0 0.402 -0.481 -0.081
11 C10 C C10 R N N 0 0.426 0.032 -1.511
12 C11 C C11 N N N 0 1.706 -0.112 0.62
13 C12 C C12 N N N 0 1.699 -0.541 2.096
14 C13 C C13 S N N 0 0.503 0.124 2.749
15 C14 C C14 S N N 0 -0.768 -0.467 2.086
16 C15 C C15 N N N 0 -1.873 0.032 3.026
17 C16 C C16 N N N 0 -1.229 -0.149 4.428
18 C17 C C17 N N N 0 0.292 -0.147 4.21
19 O17 O O17 N N N 0 1.146 -0.331 5.043
20 C18 C C18 N N N 0 0.557 1.633 2.508
21 C19 C C19 N N N 0 1.039 1.434 -1.491
22 H11 H 1H1 N N N 0 0.922 -1.882 -2.363
23 H12 H 2H1 N N N 0 2.34 -0.877 -1.973
24 H21 H 1H2 N N N 0 2.012 -0.956 -4.411
25 H22 H 2H2 N N N 0 1.702 0.689 -3.809
26 H3 H H3 N N N 0 -0.448 -1.41 -4.334
27 HO3 H HO3 N N N 0 -0.933 -0.025 -6.095
28 H41 H 1H4 N N N 0 -2.006 0.446 -3.962
29 H42 H 2H4 N N N 0 -0.647 1.577 -3.73
30 H6 H H6 N N N 0 -2.956 0.081 -2.035
31 H71 H 1H7 N N N 0 -2.132 -1.517 0.029
32 H72 H 2H7 N N N 0 -2.963 0.01 0.412
33 H8 H H8 N N N 0 -0.8 1.166 0.653
34 H9 H H9 N N N 0 0.322 -1.567 -0.108
35 H111 H 1H11 N N N 0 1.846 0.967 0.565
36 H112 H 2H11 N N N 0 2.535 -0.603 0.111
37 H121 H 1H12 N N N 0 2.618 -0.213 2.582
38 H122 H 2H12 N N N 0 1.606 -1.624 2.167
39 H14 H H14 N N N 0 -0.737 -1.556 2.078
40 H151 H 1H15 N N N 0 -2.097 1.082 2.836
41 H152 H 2H15 N N N 0 -2.769 -0.579 2.93
42 H161 H 1H16 N N N 0 -1.518 0.674 5.081
43 H162 H 2H16 N N N 0 -1.542 -1.098 4.862
44 H181 H 1H18 N N N 0 0.61 1.828 1.437
45 H182 H 2H18 N N N 0 -0.339 2.099 2.917
46 H183 H 3H18 N N N 0 1.438 2.049 2.997
47 H191 H 1H19 N N N 0 1.095 1.821 -2.509
48 H192 H 2H19 N N N 0 0.417 2.093 -0.885
49 H193 H 3H19 N N N 0 2.041 1.386 -1.065