HNF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | H15' | sing | 0.97Å | 0.95Å | |
| C1 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | O1 | sing | 1.36Å | 1.45Å | |
| C2 | H25' | sing | 1.08Å | 1.08Å | |
| C3 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | H4' | sing | 1.08Å | 1.08Å | |
| C4 | C3 | sing | 1.40Å | 1.39Å | Aromatic |
| C5 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | H1' | sing | 1.08Å | 1.08Å | |
| C7 | C10 | sing | 1.40Å | 1.40Å | Aromatic |
| C7 | C4 | sing | 1.48Å | 1.45Å | Aromatic |
| C8 | C9 | sing | 1.51Å | 1.51Å | |
| C8 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
| C9 | C5 | sing | 1.51Å | 1.50Å | |
| C9 | H12' | sing | 1.09Å | 1.10Å | |
| C9 | H22' | sing | 1.09Å | 1.10Å | |
| C10 | H3' | sing | 1.08Å | 1.08Å | |
| C11 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | HO3' | sing | 1.08Å | 1.08Å | |
| C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | H3 | sing | 1.08Å | 1.08Å | |
| N1 | O2 | sing | 1.22Å | 1.23Å | |
| N1 | C12 | sing | 1.48Å | 1.48Å | |
| O3 | N1 | doub | 1.22Å | 1.23Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| H15' | O1 | C1 | 109.5° | 114.1° |
| C2 | C1 | O1 | 124.2° | 120.1° |
| C1 | C2 | H25' | 119.9° | 119.9° |
| C1 | C2 | C3 | 120.3° | 120.2° |
| C2 | C1 | C6 | 120.2° | 119.9° |
| O1 | C1 | C6 | 115.6° | 120.0° |
| H25' | C2 | C3 | 119.9° | 119.9° |
| C2 | C3 | H4' | 120.2° | 120.0° |
| C2 | C3 | C4 | 119.7° | 120.0° |
| H4' | C3 | C4 | 120.2° | 119.9° |
| C3 | C4 | C5 | 119.7° | 119.4° |
| C3 | C4 | C7 | 131.5° | 131.1° |
| C4 | C5 | C6 | 120.9° | 120.4° |
| C5 | C4 | C7 | 108.8° | 109.5° |
| C4 | C5 | C9 | 110.0° | 107.5° |
| C5 | C6 | C1 | 119.0° | 120.0° |
| C5 | C6 | H1' | 120.5° | 120.0° |
| C6 | C5 | C9 | 129.0° | 132.1° |
| C1 | C6 | H1' | 120.5° | 120.0° |
| C10 | C7 | C4 | 131.0° | 131.2° |
| C10 | C7 | C8 | 120.3° | 119.4° |
| C7 | C10 | H3' | 120.3° | 120.0° |
| C7 | C10 | C11 | 119.4° | 120.0° |
| C4 | C7 | C8 | 108.7° | 109.5° |
| C9 | C8 | C7 | 109.9° | 107.5° |
| C8 | C9 | C5 | 102.5° | 106.1° |
| C8 | C9 | H12' | 111.9° | 110.1° |
| C8 | C9 | H22' | 113.3° | 110.2° |
| C9 | C8 | C13 | 129.1° | 132.2° |
| C7 | C8 | C13 | 121.0° | 120.3° |
| C5 | C9 | H12' | 111.8° | 110.1° |
| C5 | C9 | H22' | 113.3° | 110.1° |
| H12' | C9 | H22' | 104.3° | 110.2° |
| H3' | C10 | C11 | 120.3° | 120.0° |
| C10 | C11 | HO3' | 120.3° | 119.9° |
| C10 | C11 | C12 | 119.4° | 120.2° |
| HO3' | C11 | C12 | 120.3° | 119.9° |
| C11 | C12 | C13 | 122.1° | 120.1° |
| C11 | C12 | N1 | 119.0° | 119.9° |
| C12 | C13 | C8 | 117.8° | 120.0° |
| C12 | C13 | H3 | 121.1° | 120.0° |
| C13 | C12 | N1 | 118.9° | 119.9° |
| C8 | C13 | H3 | 121.1° | 120.0° |
| O2 | N1 | C12 | 118.0° | 120.0° |
| O2 | N1 | O3 | 124.0° | 120.0° |
| C12 | N1 | O3 | 118.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| H15' | O1 | C1 | C2 | 40.2° | 89.9° |
| H15' | O1 | C1 | C6 | 140.1° | 90.4° |
| C2 | C1 | O1 | C6 | 179.6° | 179.7° |
| C1 | C2 | H25' | C3 | 180.0° | 180.0° |
| C1 | C2 | C3 | H4' | 177.8° | 180.0° |
| C1 | C2 | C3 | C4 | 2.1° | 0.0° |
| C2 | C1 | C6 | C5 | 4.8° | 0.6° |
| C2 | C1 | C6 | H1' | 175.2° | 180.0° |
| O1 | C1 | C2 | H25' | 4.7° | 0.0° |
| O1 | C1 | C2 | C3 | 175.3° | 180.0° |
| O1 | C1 | C6 | C5 | 174.9° | 179.7° |
| O1 | C1 | C6 | H1' | 5.1° | 0.3° |
| H25' | C2 | C3 | H4' | 2.2° | 0.0° |
| H25' | C2 | C3 | C4 | 177.9° | 180.0° |
| H25' | C2 | C1 | C6 | 175.7° | 179.7° |
| C2 | C3 | H4' | C4 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.6° | 0.0° |
| C3 | C2 | C1 | C6 | 4.3° | 0.3° |
| C2 | C3 | C4 | C7 | 179.0° | 180.0° |
| H4' | C3 | C4 | C5 | 179.4° | 180.0° |
| H4' | C3 | C4 | C7 | 1.0° | 0.0° |
| C3 | C4 | C5 | C7 | 179.7° | 180.0° |
| C3 | C4 | C5 | C6 | 1.1° | 0.3° |
| C3 | C4 | C7 | C10 | 0.3° | 0.0° |
| C3 | C4 | C7 | C8 | 179.9° | 179.9° |
| C3 | C4 | C5 | C9 | 179.4° | 179.9° |
| C4 | C5 | C6 | C9 | 179.4° | 179.6° |
| C4 | C5 | C6 | C1 | 3.2° | 0.6° |
| C4 | C5 | C6 | H1' | 176.8° | 180.0° |
| C5 | C4 | C7 | C10 | 179.4° | 179.9° |
| C4 | C5 | C9 | C8 | 1.2° | 0.0° |
| C5 | C4 | C7 | C8 | 0.2° | 0.0° |
| C4 | C5 | C9 | H12' | 121.2° | 119.1° |
| C4 | C5 | C9 | H22' | 121.3° | 119.2° |
| C5 | C6 | C1 | H1' | 180.0° | 179.4° |
| C6 | C5 | C4 | C7 | 178.6° | 179.7° |
| C6 | C5 | C9 | C8 | 178.2° | 179.7° |
| C6 | C5 | C9 | H12' | 58.3° | 60.5° |
| C6 | C5 | C9 | H22' | 59.3° | 61.1° |
| C1 | C6 | C5 | C9 | 177.4° | 179.7° |
| H1' | C6 | C5 | C9 | 2.6° | 0.3° |
| C10 | C7 | C4 | C8 | 179.6° | 179.9° |
| C10 | C7 | C8 | C9 | 179.8° | 179.9° |
| C7 | C10 | H3' | C11 | 180.0° | 180.0° |
| C7 | C10 | C11 | HO3' | 177.5° | 180.0° |
| C7 | C10 | C11 | C12 | 2.5° | 0.0° |
| C10 | C7 | C8 | C13 | 0.4° | 0.1° |
| C4 | C7 | C8 | C9 | 0.5° | 0.0° |
| C7 | C4 | C5 | C9 | 0.9° | 0.0° |
| C4 | C7 | C10 | H3' | 1.3° | 0.0° |
| C4 | C7 | C10 | C11 | 178.7° | 180.0° |
| C4 | C7 | C8 | C13 | 179.9° | 180.0° |
| C9 | C8 | C7 | C13 | 179.4° | 180.0° |
| C8 | C9 | C5 | H12' | 120.0° | 119.1° |
| C8 | C9 | C5 | H22' | 122.5° | 119.2° |
| C8 | C9 | H12' | H22' | 122.8° | 121.7° |
| C9 | C8 | C13 | C12 | 179.2° | 179.9° |
| C9 | C8 | C13 | H3 | 0.8° | 0.0° |
| C7 | C8 | C9 | C5 | 1.0° | 0.0° |
| C7 | C8 | C9 | H12' | 121.0° | 119.1° |
| C7 | C8 | C9 | H22' | 121.4° | 119.2° |
| C8 | C7 | C10 | H3' | 178.3° | 179.9° |
| C8 | C7 | C10 | C11 | 1.7° | 0.0° |
| C7 | C8 | C13 | C12 | 0.1° | 0.1° |
| C7 | C8 | C13 | H3 | 179.9° | 179.9° |
| C5 | C9 | H12' | H22' | 122.8° | 121.7° |
| C5 | C9 | C8 | C13 | 179.6° | 180.0° |
| H12' | C9 | C8 | C13 | 59.7° | 60.9° |
| H22' | C9 | C8 | C13 | 57.9° | 60.9° |
| H3' | C10 | C11 | HO3' | 2.5° | 0.0° |
| H3' | C10 | C11 | C12 | 177.5° | 180.0° |
| C10 | C11 | HO3' | C12 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 2.0° | 0.0° |
| C10 | C11 | C12 | N1 | 178.1° | 180.0° |
| HO3' | C11 | C12 | C13 | 178.0° | 180.0° |
| HO3' | C11 | C12 | N1 | 1.9° | 0.0° |
| C11 | C12 | C13 | N1 | 179.9° | 180.0° |
| C11 | C12 | C13 | C8 | 0.7° | 0.0° |
| C11 | C12 | C13 | H3 | 179.2° | 180.0° |
| C11 | C12 | N1 | O2 | 0.0° | 0.0° |
| C11 | C12 | N1 | O3 | 179.8° | 180.0° |
| C12 | C13 | C8 | H3 | 180.0° | 180.0° |
| C13 | C12 | N1 | O2 | 179.9° | 180.0° |
| C13 | C12 | N1 | O3 | 0.0° | 0.1° |
| C8 | C13 | C12 | N1 | 179.4° | 180.0° |
| H3 | C13 | C12 | N1 | 0.6° | 0.0° |
| O2 | N1 | C12 | O3 | 179.8° | 180.0° |
