OHT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C9 | sing | 1.53Å | 1.50Å | |
| C10 | H101 | sing | 1.09Å | 1.11Å | |
| C10 | H102 | sing | 1.09Å | 1.11Å | |
| C10 | H103 | sing | 1.09Å | 1.12Å | |
| C9 | C8 | sing | 1.51Å | 1.51Å | |
| C9 | H91 | sing | 1.09Å | 1.11Å | |
| C9 | H92 | sing | 1.09Å | 1.11Å | |
| C8 | C11 | sing | 1.47Å | 1.49Å | |
| C8 | C7 | doub | 1.36Å | 1.37Å | |
| C11 | C16 | sing | 1.40Å | 1.41Å | Aromatic |
| C11 | C12 | doub | 1.40Å | 1.39Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.10Å | |
| C15 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.10Å | |
| C14 | C13 | doub | 1.38Å | 1.37Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.10Å | |
| C13 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.10Å | |
| C12 | H12 | sing | 1.08Å | 1.10Å | |
| C7 | C1 | sing | 1.48Å | 1.51Å | |
| C7 | C17 | sing | 1.48Å | 1.47Å | |
| C1 | C2 | sing | 1.40Å | 1.43Å | Aromatic |
| C1 | C6 | doub | 1.40Å | 1.40Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C3 | C4 | sing | 1.39Å | 1.41Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C4 | O4 | sing | 1.36Å | 1.36Å | |
| C4 | C5 | doub | 1.39Å | 1.41Å | Aromatic |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C17 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C22 | sing | 1.39Å | 1.40Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.37Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.10Å | |
| C19 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.10Å | |
| C20 | O20 | sing | 1.36Å | 1.37Å | |
| C20 | C21 | sing | 1.39Å | 1.41Å | Aromatic |
| O20 | C23 | sing | 1.43Å | 1.42Å | |
| C23 | C24 | sing | 1.53Å | 1.50Å | |
| C23 | H231 | sing | 1.09Å | 1.11Å | |
| C23 | H232 | sing | 1.09Å | 1.12Å | |
| C24 | N24 | sing | 1.47Å | 1.44Å | |
| C24 | H241 | sing | 1.09Å | 1.12Å | |
| C24 | H242 | sing | 1.09Å | 1.11Å | |
| N24 | C25 | sing | 1.47Å | 1.46Å | |
| N24 | C26 | sing | 1.47Å | 1.47Å | |
| C25 | H251 | sing | 1.09Å | 1.11Å | |
| C25 | H252 | sing | 1.09Å | 1.12Å | |
| C25 | H253 | sing | 1.09Å | 1.12Å | |
| C26 | H261 | sing | 1.09Å | 1.11Å | |
| C26 | H262 | sing | 1.09Å | 1.12Å | |
| C26 | H263 | sing | 1.09Å | 1.12Å | |
| C21 | C22 | doub | 1.38Å | 1.37Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.10Å | |
| C22 | H22 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C10 | H101 | 112.2° | 109.5° |
| C9 | C10 | H102 | 111.2° | 109.5° |
| C9 | C10 | H103 | 111.1° | 109.5° |
| C10 | C9 | C8 | 112.2° | 109.5° |
| C10 | C9 | H91 | 111.2° | 109.5° |
| C10 | C9 | H92 | 111.2° | 109.4° |
| H101 | C10 | H102 | 111.3° | 109.5° |
| H101 | C10 | H103 | 111.2° | 109.4° |
| H102 | C10 | H103 | 99.2° | 109.5° |
| C8 | C9 | H91 | 111.2° | 109.5° |
| C8 | C9 | H92 | 111.2° | 109.5° |
| C9 | C8 | C11 | 113.7° | 120.0° |
| C9 | C8 | C7 | 122.7° | 120.0° |
| H91 | C9 | H92 | 99.2° | 109.5° |
| C11 | C8 | C7 | 123.7° | 120.0° |
| C8 | C11 | C16 | 120.7° | 120.2° |
| C8 | C11 | C12 | 122.1° | 120.2° |
| C8 | C7 | C1 | 123.8° | 120.0° |
| C8 | C7 | C17 | 122.5° | 120.0° |
| C16 | C11 | C12 | 117.2° | 119.6° |
| C11 | C16 | C15 | 120.6° | 119.8° |
| C11 | C16 | H16 | 120.3° | 120.0° |
| C11 | C12 | C13 | 121.7° | 119.8° |
| C11 | C12 | H12 | 118.7° | 120.0° |
| C15 | C16 | H16 | 119.2° | 120.1° |
| C16 | C15 | C14 | 121.0° | 120.2° |
| C16 | C15 | H15 | 120.0° | 119.9° |
| C14 | C15 | H15 | 119.0° | 119.9° |
| C15 | C14 | C13 | 119.2° | 120.3° |
| C15 | C14 | H14 | 120.6° | 119.8° |
| C13 | C14 | H14 | 120.2° | 119.9° |
| C14 | C13 | C12 | 120.3° | 120.2° |
| C14 | C13 | H13 | 118.9° | 119.9° |
| C12 | C13 | H13 | 120.7° | 119.9° |
| C13 | C12 | H12 | 119.5° | 120.1° |
| C1 | C7 | C17 | 113.6° | 120.0° |
| C7 | C1 | C2 | 121.8° | 120.1° |
| C7 | C1 | C6 | 119.7° | 120.1° |
| C7 | C17 | C18 | 121.6° | 120.1° |
| C7 | C17 | C22 | 121.1° | 120.1° |
| C2 | C1 | C6 | 118.4° | 119.8° |
| C1 | C2 | C3 | 120.6° | 120.0° |
| C1 | C2 | H2 | 120.7° | 120.0° |
| C1 | C6 | C5 | 121.9° | 119.9° |
| C1 | C6 | H6 | 119.4° | 120.1° |
| C3 | C2 | H2 | 118.7° | 120.1° |
| C2 | C3 | C4 | 119.2° | 120.1° |
| C2 | C3 | H3 | 120.2° | 120.0° |
| C4 | C3 | H3 | 120.5° | 120.0° |
| C3 | C4 | O4 | 118.1° | 119.9° |
| C3 | C4 | C5 | 120.6° | 120.2° |
| O4 | C4 | C5 | 121.2° | 119.9° |
| C4 | O4 | HO4 | 118.1° | 106.8° |
| C4 | C5 | C6 | 119.2° | 120.1° |
| C4 | C5 | H5 | 121.2° | 120.0° |
| C6 | C5 | H5 | 119.6° | 120.0° |
| C5 | C6 | H6 | 118.7° | 120.0° |
| C18 | C17 | C22 | 117.2° | 119.8° |
| C17 | C18 | C19 | 122.5° | 119.9° |
| C17 | C18 | H18 | 119.8° | 120.1° |
| C17 | C22 | C21 | 121.5° | 120.0° |
| C17 | C22 | H22 | 120.6° | 120.1° |
| C19 | C18 | H18 | 117.8° | 120.0° |
| C18 | C19 | C20 | 119.5° | 120.1° |
| C18 | C19 | H19 | 119.6° | 120.0° |
| C20 | C19 | H19 | 121.0° | 119.9° |
| C19 | C20 | O20 | 123.2° | 119.9° |
| C19 | C20 | C21 | 119.7° | 120.1° |
| O20 | C20 | C21 | 117.1° | 119.9° |
| C20 | O20 | C23 | 119.9° | 106.8° |
| C20 | C21 | C22 | 119.7° | 120.1° |
| C20 | C21 | H21 | 121.5° | 119.9° |
| O20 | C23 | C24 | 106.5° | 109.5° |
| O20 | C23 | H231 | 113.3° | 109.4° |
| O20 | C23 | H232 | 113.3° | 109.5° |
| C24 | C23 | H231 | 113.3° | 109.5° |
| C24 | C23 | H232 | 113.3° | 109.5° |
| C23 | C24 | N24 | 113.7° | 109.5° |
| C23 | C24 | H241 | 110.7° | 109.5° |
| C23 | C24 | H242 | 110.7° | 109.5° |
| H231 | C23 | H232 | 97.1° | 109.5° |
| N24 | C24 | H241 | 110.6° | 109.4° |
| N24 | C24 | H242 | 110.7° | 109.4° |
| C24 | N24 | C25 | 111.7° | 106.7° |
| C24 | N24 | C26 | 109.6° | 106.7° |
| H241 | C24 | H242 | 99.6° | 109.5° |
| C25 | N24 | C26 | 108.1° | 106.6° |
| N24 | C25 | H251 | 111.7° | 109.5° |
| N24 | C25 | H252 | 111.4° | 109.5° |
| N24 | C25 | H253 | 111.4° | 109.5° |
| N24 | C26 | H261 | 109.5° | 109.5° |
| N24 | C26 | H262 | 112.1° | 109.5° |
| N24 | C26 | H263 | 112.2° | 109.4° |
| H251 | C25 | H252 | 111.4° | 109.5° |
| H251 | C25 | H253 | 111.4° | 109.5° |
| H252 | C25 | H253 | 98.9° | 109.4° |
| H261 | C26 | H262 | 112.2° | 109.5° |
| H261 | C26 | H263 | 112.2° | 109.5° |
| H262 | C26 | H263 | 98.3° | 109.5° |
| C22 | C21 | H21 | 118.7° | 120.0° |
| C21 | C22 | H22 | 118.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C10 | H101 | H102 | 125.3° | 120.0° |
| C9 | C10 | H101 | H103 | 125.2° | 120.0° |
| C9 | C10 | H102 | H103 | 117.0° | 120.0° |
| C10 | C9 | C8 | H91 | 125.2° | 120.0° |
| C10 | C9 | C8 | H92 | 125.2° | 119.9° |
| C10 | C9 | H91 | H92 | 117.1° | 120.0° |
| C10 | C9 | C8 | C11 | 65.3° | 120.0° |
| C10 | C9 | C8 | C7 | 114.7° | 59.9° |
| H101 | C10 | H102 | H103 | 117.1° | 120.0° |
| H101 | C10 | C9 | C8 | 180.0° | 60.0° |
| H101 | C10 | C9 | H91 | 54.8° | 180.0° |
| H101 | C10 | C9 | H92 | 54.7° | 60.0° |
| H102 | C10 | C9 | C8 | 54.7° | 180.0° |
| H102 | C10 | C9 | H91 | 70.6° | 60.0° |
| H102 | C10 | C9 | H92 | 179.9° | 60.0° |
| H103 | C10 | C9 | C8 | 54.8° | 60.0° |
| H103 | C10 | C9 | H91 | 180.0° | 60.0° |
| H103 | C10 | C9 | H92 | 70.5° | 180.0° |
| C8 | C9 | H91 | H92 | 117.1° | 120.0° |
| C9 | C8 | C11 | C7 | 180.0° | 179.9° |
| C9 | C8 | C11 | C16 | 129.3° | 59.9° |
| C9 | C8 | C11 | C12 | 48.3° | 119.7° |
| C9 | C8 | C7 | C1 | 14.3° | 0.1° |
| C9 | C8 | C7 | C17 | 164.9° | 180.0° |
| H91 | C9 | C8 | C11 | 60.0° | 0.0° |
| H91 | C9 | C8 | C7 | 120.0° | 179.9° |
| H92 | C9 | C8 | C11 | 169.5° | 120.1° |
| H92 | C9 | C8 | C7 | 10.5° | 60.0° |
| C8 | C11 | C16 | C12 | 177.8° | 179.7° |
| C8 | C11 | C16 | C15 | 177.6° | 180.0° |
| C8 | C11 | C16 | H16 | 2.4° | 0.1° |
| C8 | C11 | C12 | C13 | 177.7° | 179.7° |
| C8 | C11 | C12 | H12 | 2.3° | 0.3° |
| C11 | C8 | C7 | C1 | 165.7° | 180.0° |
| C11 | C8 | C7 | C17 | 15.1° | 0.1° |
| C7 | C8 | C11 | C16 | 50.7° | 120.0° |
| C7 | C8 | C11 | C12 | 131.7° | 60.4° |
| C8 | C7 | C1 | C17 | 179.3° | 179.9° |
| C8 | C7 | C1 | C2 | 135.4° | 120.1° |
| C8 | C7 | C1 | C6 | 47.1° | 60.2° |
| C8 | C7 | C17 | C18 | 47.1° | 119.9° |
| C8 | C7 | C17 | C22 | 134.2° | 60.4° |
| C11 | C16 | C15 | H16 | 180.0° | 179.9° |
| C11 | C16 | C15 | C14 | 0.2° | 0.1° |
| C11 | C16 | C15 | H15 | 179.9° | 179.9° |
| C16 | C11 | C12 | C13 | 0.0° | 0.6° |
| C16 | C11 | C12 | H12 | 180.0° | 180.0° |
| C12 | C11 | C16 | C15 | 0.1° | 0.4° |
| C12 | C11 | C16 | H16 | 179.8° | 179.8° |
| C11 | C12 | C13 | C14 | 0.0° | 0.6° |
| C11 | C12 | C13 | H12 | 180.0° | 179.4° |
| C11 | C12 | C13 | H13 | 179.9° | 179.7° |
| C16 | C15 | C14 | H15 | 180.0° | 180.0° |
| C16 | C15 | C14 | C13 | 0.1° | 0.1° |
| C16 | C15 | C14 | H14 | 179.9° | 180.0° |
| H16 | C16 | C15 | C14 | 179.8° | 180.0° |
| H16 | C16 | C15 | H15 | 0.2° | 0.1° |
| C15 | C14 | C13 | H14 | 180.0° | 179.9° |
| C15 | C14 | C13 | C12 | 0.0° | 0.4° |
| C15 | C14 | C13 | H13 | 179.9° | 179.9° |
| H15 | C15 | C14 | C13 | 179.9° | 179.9° |
| H15 | C15 | C14 | H14 | 0.1° | 0.0° |
| C14 | C13 | C12 | H13 | 180.0° | 179.7° |
| C14 | C13 | C12 | H12 | 179.9° | 180.0° |
| H14 | C14 | C13 | C12 | 180.0° | 179.7° |
| H14 | C14 | C13 | H13 | 0.0° | 0.0° |
| H13 | C13 | C12 | H12 | 0.1° | 0.3° |
| C7 | C1 | C2 | C6 | 177.6° | 179.7° |
| C7 | C1 | C2 | C3 | 177.5° | 179.9° |
| C7 | C1 | C2 | H2 | 2.5° | 0.1° |
| C7 | C1 | C6 | C5 | 177.6° | 179.7° |
| C7 | C1 | C6 | H6 | 2.4° | 0.3° |
| C1 | C7 | C17 | C18 | 132.2° | 60.0° |
| C1 | C7 | C17 | C22 | 46.5° | 119.7° |
| C17 | C7 | C1 | C2 | 43.9° | 60.0° |
| C17 | C7 | C1 | C6 | 133.6° | 119.7° |
| C7 | C17 | C18 | C22 | 178.8° | 179.7° |
| C7 | C17 | C18 | C19 | 178.8° | 179.9° |
| C7 | C17 | C18 | H18 | 1.2° | 0.0° |
| C7 | C17 | C22 | C21 | 178.8° | 179.8° |
| C7 | C17 | C22 | H22 | 1.2° | 0.3° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.0° | 0.0° |
| C1 | C2 | C3 | H3 | 179.9° | 180.0° |
| C2 | C1 | C6 | C5 | 0.0° | 0.6° |
| C2 | C1 | C6 | H6 | 180.0° | 179.9° |
| C6 | C1 | C2 | C3 | 0.1° | 0.3° |
| C6 | C1 | C2 | H2 | 179.9° | 179.7° |
| C1 | C6 | C5 | C4 | 0.1° | 0.7° |
| C1 | C6 | C5 | H6 | 180.0° | 179.4° |
| C1 | C6 | C5 | H5 | 179.9° | 179.8° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | O4 | 179.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.1° | 0.0° |
| H2 | C2 | C3 | C4 | 180.0° | 179.9° |
| H2 | C2 | C3 | H3 | 0.0° | 0.0° |
| C3 | C4 | O4 | C5 | 179.2° | 180.0° |
| C3 | C4 | O4 | HO4 | 180.0° | 89.9° |
| C3 | C4 | C5 | C6 | 0.2° | 0.4° |
| C3 | C4 | C5 | H5 | 179.8° | 179.9° |
| H3 | C3 | C4 | O4 | 0.9° | 0.0° |
| H3 | C3 | C4 | C5 | 179.9° | 179.9° |
| O4 | C4 | C5 | C6 | 178.9° | 179.7° |
| O4 | C4 | C5 | H5 | 1.1° | 0.1° |
| C5 | C4 | O4 | HO4 | 0.8° | 90.1° |
| C4 | C5 | C6 | H5 | 180.0° | 179.6° |
| C4 | C5 | C6 | H6 | 179.9° | 179.9° |
| H5 | C5 | C6 | H6 | 0.1° | 0.3° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.1° | 0.0° |
| C17 | C18 | C19 | H19 | 179.9° | 180.0° |
| C18 | C17 | C22 | C21 | 0.0° | 0.5° |
| C18 | C17 | C22 | H22 | 180.0° | 180.0° |
| C22 | C17 | C18 | C19 | 0.0° | 0.3° |
| C22 | C17 | C18 | H18 | 180.0° | 179.7° |
| C17 | C22 | C21 | C20 | 0.1° | 0.4° |
| C17 | C22 | C21 | H22 | 180.0° | 179.5° |
| C17 | C22 | C21 | H21 | 179.9° | 179.7° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | O20 | 178.2° | 180.0° |
| C18 | C19 | C20 | C21 | 0.3° | 0.1° |
| H18 | C18 | C19 | C20 | 179.9° | 180.0° |
| H18 | C18 | C19 | H19 | 0.1° | 0.0° |
| C19 | C20 | O20 | C21 | 178.5° | 179.9° |
| C19 | C20 | O20 | C23 | 170.8° | 180.0° |
| C19 | C20 | C21 | C22 | 0.3° | 0.1° |
| C19 | C20 | C21 | H21 | 179.8° | 180.0° |
| H19 | C19 | C20 | O20 | 1.9° | 0.1° |
| H19 | C19 | C20 | C21 | 179.7° | 179.9° |
| C20 | O20 | C23 | C24 | 154.7° | 180.0° |
| C20 | O20 | C23 | H231 | 80.0° | 60.1° |
| C20 | O20 | C23 | H232 | 29.5° | 59.9° |
| O20 | C20 | C21 | C22 | 178.2° | 179.8° |
| O20 | C20 | C21 | H21 | 1.7° | 0.1° |
| C21 | C20 | O20 | C23 | 10.7° | 0.1° |
| C20 | C21 | C22 | H21 | 180.0° | 179.9° |
| C20 | C21 | C22 | H22 | 179.9° | 179.9° |
| O20 | C23 | C24 | H231 | 125.3° | 119.9° |
| O20 | C23 | C24 | H232 | 125.3° | 120.1° |
| O20 | C23 | H231 | H232 | 119.2° | 120.0° |
| O20 | C23 | C24 | N24 | 82.5° | 64.0° |
| O20 | C23 | C24 | H241 | 152.3° | 176.0° |
| O20 | C23 | C24 | H242 | 42.9° | 56.0° |
| C24 | C23 | H231 | H232 | 119.2° | 120.0° |
| C23 | C24 | N24 | H241 | 125.2° | 120.0° |
| C23 | C24 | N24 | H242 | 125.3° | 120.1° |
| C23 | C24 | H241 | H242 | 116.5° | 120.1° |
| C23 | C24 | N24 | C25 | 91.4° | 76.0° |
| C23 | C24 | N24 | C26 | 148.8° | 170.2° |
| H231 | C23 | C24 | N24 | 42.9° | 55.9° |
| H231 | C23 | C24 | H241 | 82.4° | 64.0° |
| H231 | C23 | C24 | H242 | 168.2° | 175.9° |
| H232 | C23 | C24 | N24 | 152.3° | 175.9° |
| H232 | C23 | C24 | H241 | 27.0° | 56.0° |
| H232 | C23 | C24 | H242 | 82.4° | 64.1° |
| N24 | C24 | H241 | H242 | 116.5° | 119.9° |
| C24 | N24 | C25 | C26 | 120.6° | 113.8° |
| C24 | N24 | C25 | H251 | 180.0° | 180.0° |
| C24 | N24 | C25 | H252 | 54.7° | 60.0° |
| C24 | N24 | C25 | H253 | 54.7° | 60.0° |
| C24 | N24 | C26 | H261 | 180.0° | 175.8° |
| C24 | N24 | C26 | H262 | 54.8° | 55.7° |
| C24 | N24 | C26 | H263 | 54.7° | 64.3° |
| H241 | C24 | N24 | C25 | 33.8° | 44.0° |
| H241 | C24 | N24 | C26 | 85.9° | 69.8° |
| H242 | C24 | N24 | C25 | 143.3° | 163.9° |
| H242 | C24 | N24 | C26 | 23.5° | 50.2° |
| N24 | C25 | H251 | H252 | 125.3° | 120.0° |
| N24 | C25 | H251 | H253 | 125.3° | 120.1° |
| N24 | C25 | H252 | H253 | 117.3° | 120.0° |
| C25 | N24 | C26 | H261 | 58.0° | 62.0° |
| C25 | N24 | C26 | H262 | 67.2° | 58.1° |
| C25 | N24 | C26 | H263 | 176.6° | 178.1° |
| C26 | N24 | C25 | H251 | 59.4° | 66.2° |
| C26 | N24 | C25 | H252 | 175.3° | 173.8° |
| C26 | N24 | C25 | H253 | 65.9° | 53.8° |
| N24 | C26 | H261 | H262 | 125.2° | 120.0° |
| N24 | C26 | H261 | H263 | 125.3° | 119.9° |
| N24 | C26 | H262 | H263 | 118.1° | 120.0° |
| H251 | C25 | H252 | H253 | 117.3° | 120.0° |
| H261 | C26 | H262 | H263 | 118.2° | 120.0° |
| H21 | C21 | C22 | H22 | 0.1° | 0.2° |
