ORH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N1 | sing | 1.47Å | 1.46Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| F1 | C13 | sing | 1.40Å | 1.31Å | |
| N1 | C15 | sing | 1.47Å | 1.46Å | |
| N1 | C18 | sing | 1.47Å | 1.47Å | |
| O1 | C5 | doub | 1.22Å | 1.25Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| F2 | C13 | sing | 1.40Å | 1.31Å | |
| N2 | C3 | sing | 1.47Å | 1.47Å | |
| N2 | C4 | sing | 1.35Å | 1.36Å | |
| N2 | C5 | sing | 1.35Å | 1.35Å | |
| O2 | C4 | doub | 1.21Å | 1.25Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| F3 | C13 | sing | 1.40Å | 1.32Å | |
| N3 | C4 | sing | 1.34Å | 1.35Å | |
| N3 | N4 | sing | 1.28Å | 1.40Å | |
| N3 | C9 | sing | 1.40Å | 1.42Å | |
| N4 | C6 | doub | 1.32Å | 1.34Å | |
| C5 | C6 | sing | 1.48Å | 1.47Å | |
| C6 | C14 | sing | 1.43Å | 1.48Å | |
| C7 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| C7 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C8 | C13 | sing | 1.51Å | 1.50Å | |
| C9 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | N15 | trip | 1.14Å | 1.26Å | |
| C15 | C17 | sing | 1.53Å | 1.53Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C17 | C19 | sing | 1.53Å | 1.53Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C18 | C20 | sing | 1.53Å | 1.53Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C1 | C2 | 106.5° | 109.5° |
| N1 | C1 | H1 | 110.5° | 109.4° |
| N1 | C1 | H1A | 110.5° | 109.5° |
| C1 | N1 | C15 | 111.3° | 111.0° |
| C1 | N1 | C18 | 112.8° | 111.0° |
| C2 | C1 | H1 | 110.5° | 109.4° |
| C2 | C1 | H1A | 110.5° | 109.5° |
| C1 | C2 | C3 | 111.0° | 109.5° |
| C1 | C2 | H2 | 109.0° | 109.4° |
| C1 | C2 | H2A | 109.0° | 109.5° |
| H1 | C1 | H1A | 108.5° | 109.5° |
| F1 | C13 | F2 | 109.2° | 109.5° |
| F1 | C13 | F3 | 109.2° | 109.5° |
| F1 | C13 | C8 | 109.3° | 109.5° |
| C15 | N1 | C18 | 112.5° | 111.2° |
| N1 | C15 | C17 | 106.2° | 109.5° |
| N1 | C15 | H15 | 110.6° | 109.5° |
| N1 | C15 | H15A | 110.6° | 109.5° |
| N1 | C18 | C20 | 105.3° | 109.5° |
| N1 | C18 | H18 | 110.9° | 109.5° |
| N1 | C18 | H18A | 110.9° | 109.5° |
| O1 | C5 | N2 | 122.7° | 121.2° |
| O1 | C5 | C6 | 118.2° | 121.2° |
| C3 | C2 | H2 | 109.0° | 109.4° |
| C3 | C2 | H2A | 109.0° | 109.5° |
| C2 | C3 | N2 | 109.9° | 109.4° |
| C2 | C3 | H3 | 109.3° | 109.4° |
| C2 | C3 | H3A | 109.3° | 109.5° |
| H2 | C2 | H2A | 109.9° | 109.5° |
| F2 | C13 | F3 | 109.3° | 109.4° |
| F2 | C13 | C8 | 109.2° | 109.5° |
| C3 | N2 | C4 | 119.8° | 120.7° |
| C3 | N2 | C5 | 119.3° | 120.6° |
| N2 | C3 | H3 | 109.3° | 109.4° |
| N2 | C3 | H3A | 109.3° | 109.5° |
| C4 | N2 | C5 | 120.9° | 118.7° |
| N2 | C4 | O2 | 119.3° | 119.4° |
| N2 | C4 | N3 | 121.1° | 121.2° |
| N2 | C5 | C6 | 119.0° | 117.6° |
| O2 | C4 | N3 | 119.6° | 119.4° |
| H3 | C3 | H3A | 109.6° | 109.5° |
| F3 | C13 | C8 | 110.6° | 109.5° |
| C4 | N3 | N4 | 120.3° | 122.6° |
| C4 | N3 | C9 | 123.8° | 118.7° |
| N4 | N3 | C9 | 115.9° | 118.7° |
| N3 | N4 | C6 | 120.6° | 121.2° |
| N3 | C9 | C7 | 120.6° | 120.1° |
| N3 | C9 | C11 | 119.9° | 120.1° |
| N4 | C6 | C5 | 118.0° | 118.7° |
| N4 | C6 | C14 | 120.7° | 120.7° |
| C5 | C6 | C14 | 121.3° | 120.7° |
| C6 | C14 | N15 | 122.6° | 180.0° |
| C8 | C7 | C9 | 119.8° | 119.9° |
| C8 | C7 | H7 | 120.1° | 120.0° |
| C7 | C8 | C10 | 120.3° | 120.1° |
| C7 | C8 | C13 | 120.3° | 120.0° |
| C9 | C7 | H7 | 120.1° | 120.0° |
| C7 | C9 | C11 | 119.5° | 119.9° |
| C10 | C8 | C13 | 119.3° | 120.0° |
| C8 | C10 | C12 | 120.2° | 120.2° |
| C8 | C10 | H10 | 119.9° | 119.9° |
| C9 | C11 | C12 | 120.8° | 119.9° |
| C9 | C11 | H11 | 119.6° | 120.0° |
| C12 | C10 | H10 | 119.8° | 119.9° |
| C10 | C12 | C11 | 119.3° | 120.0° |
| C10 | C12 | H12 | 120.4° | 120.0° |
| C12 | C11 | H11 | 119.6° | 120.0° |
| C11 | C12 | H12 | 120.3° | 120.0° |
| C17 | C15 | H15 | 110.6° | 109.4° |
| C17 | C15 | H15A | 110.6° | 109.4° |
| C15 | C17 | C19 | 112.2° | 109.3° |
| C15 | C17 | H17 | 108.6° | 109.5° |
| C15 | C17 | H17A | 108.6° | 109.5° |
| H15 | C15 | H15A | 108.3° | 109.5° |
| C19 | C17 | H17 | 108.6° | 109.5° |
| C19 | C17 | H17A | 108.6° | 109.5° |
| C17 | C19 | C20 | 111.9° | 109.2° |
| C17 | C19 | H19 | 108.7° | 109.5° |
| C17 | C19 | H19A | 108.7° | 109.5° |
| H17 | C17 | H17A | 110.3° | 109.5° |
| C20 | C18 | H18 | 110.9° | 109.4° |
| C20 | C18 | H18A | 110.9° | 109.4° |
| C18 | C20 | C19 | 111.3° | 109.3° |
| C18 | C20 | H20 | 108.9° | 109.5° |
| C18 | C20 | H20A | 108.8° | 109.5° |
| H18 | C18 | H18A | 108.0° | 109.5° |
| C20 | C19 | H19 | 108.7° | 109.5° |
| C20 | C19 | H19A | 108.7° | 109.6° |
| C19 | C20 | H20 | 108.9° | 109.5° |
| C19 | C20 | H20A | 108.9° | 109.5° |
| H19 | C19 | H19A | 110.2° | 109.6° |
| H20 | C20 | H20A | 110.1° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | C2 | H1 | 120.0° | 119.9° |
| N1 | C1 | C2 | H1A | 120.0° | 120.0° |
| N1 | C1 | H1 | H1A | 121.2° | 120.0° |
| C1 | N1 | C15 | C18 | 127.7° | 124.1° |
| N1 | C1 | C2 | C3 | 154.9° | 180.0° |
| N1 | C1 | C2 | H2 | 34.8° | 60.1° |
| N1 | C1 | C2 | H2A | 85.1° | 59.9° |
| C1 | N1 | C15 | C17 | 164.5° | 174.1° |
| C1 | N1 | C15 | H15 | 44.4° | 54.2° |
| C1 | N1 | C15 | H15A | 75.5° | 65.9° |
| C1 | N1 | C18 | C20 | 163.3° | 174.1° |
| C1 | N1 | C18 | H18 | 76.7° | 65.9° |
| C1 | N1 | C18 | H18A | 43.3° | 54.1° |
| C2 | C1 | H1 | H1A | 121.2° | 120.0° |
| C2 | C1 | N1 | C15 | 146.8° | 170.0° |
| C2 | C1 | N1 | C18 | 85.6° | 65.7° |
| C1 | C2 | C3 | H2 | 120.0° | 119.9° |
| C1 | C2 | C3 | H2A | 120.0° | 120.0° |
| C1 | C2 | H2 | H2A | 119.4° | 120.0° |
| C1 | C2 | C3 | N2 | 122.1° | 180.0° |
| C1 | C2 | C3 | H3 | 117.9° | 60.1° |
| C1 | C2 | C3 | H3A | 2.1° | 60.0° |
| H1 | C1 | N1 | C15 | 93.2° | 70.0° |
| H1 | C1 | N1 | C18 | 34.4° | 54.2° |
| H1 | C1 | C2 | C3 | 85.1° | 60.1° |
| H1 | C1 | C2 | H2 | 154.8° | 180.0° |
| H1 | C1 | C2 | H2A | 34.9° | 60.0° |
| H1A | C1 | N1 | C15 | 26.8° | 50.0° |
| H1A | C1 | N1 | C18 | 154.4° | 174.2° |
| H1A | C1 | C2 | C3 | 34.9° | 60.0° |
| H1A | C1 | C2 | H2 | 85.2° | 60.0° |
| H1A | C1 | C2 | H2A | 154.9° | 180.0° |
| F1 | C13 | F2 | F3 | 119.4° | 120.0° |
| F1 | C13 | F2 | C8 | 119.5° | 120.0° |
| F1 | C13 | F3 | C8 | 120.3° | 120.0° |
| F1 | C13 | C8 | C7 | 107.1° | 90.0° |
| F1 | C13 | C8 | C10 | 72.9° | 90.0° |
| N1 | C15 | C17 | H15 | 120.0° | 120.0° |
| N1 | C15 | C17 | H15A | 120.0° | 120.0° |
| N1 | C15 | H15 | H15A | 121.3° | 120.0° |
| N1 | C15 | C17 | C19 | 54.4° | 59.2° |
| N1 | C15 | C17 | H17 | 65.6° | 60.7° |
| N1 | C15 | C17 | H17A | 174.4° | 179.1° |
| C15 | N1 | C18 | C20 | 69.7° | 61.8° |
| C15 | N1 | C18 | H18 | 50.3° | 58.2° |
| C15 | N1 | C18 | H18A | 170.3° | 178.2° |
| C18 | N1 | C15 | C17 | 67.8° | 61.8° |
| C18 | N1 | C15 | H15 | 172.2° | 178.3° |
| C18 | N1 | C15 | H15A | 52.2° | 58.2° |
| N1 | C18 | C20 | H18 | 120.0° | 120.0° |
| N1 | C18 | C20 | H18A | 120.0° | 120.0° |
| N1 | C18 | H18 | H18A | 121.7° | 120.0° |
| N1 | C18 | C20 | C19 | 58.1° | 59.2° |
| N1 | C18 | C20 | H20 | 178.1° | 179.1° |
| N1 | C18 | C20 | H20A | 61.9° | 60.8° |
| O1 | C5 | N2 | C3 | 0.1° | 0.0° |
| O1 | C5 | N2 | C4 | 179.7° | 179.7° |
| O1 | C5 | N2 | C6 | 179.9° | 180.0° |
| O1 | C5 | C6 | N4 | 179.9° | 180.0° |
| O1 | C5 | C6 | C14 | 0.3° | 0.3° |
| C3 | C2 | H2 | H2A | 119.4° | 120.1° |
| C2 | C3 | N2 | H3 | 120.0° | 119.9° |
| C2 | C3 | N2 | H3A | 120.0° | 120.1° |
| C2 | C3 | N2 | C4 | 100.8° | 90.0° |
| C2 | C3 | N2 | C5 | 79.6° | 90.3° |
| C2 | C3 | H3 | H3A | 119.8° | 120.1° |
| H2 | C2 | C3 | N2 | 2.1° | 60.1° |
| H2 | C2 | C3 | H3 | 122.1° | NaN° |
| H2 | C2 | C3 | H3A | 117.9° | 60.0° |
| H2A | C2 | C3 | N2 | 117.9° | 60.0° |
| H2A | C2 | C3 | H3 | 2.1° | 60.0° |
| H2A | C2 | C3 | H3A | 122.1° | 180.0° |
| F2 | C13 | F3 | C8 | 120.3° | 120.0° |
| F2 | C13 | C8 | C7 | 133.4° | 30.1° |
| F2 | C13 | C8 | C10 | 46.6° | 150.0° |
| C3 | N2 | C4 | C5 | 179.6° | 179.7° |
| C3 | N2 | C4 | O2 | 0.5° | 0.0° |
| N2 | C3 | H3 | H3A | 119.8° | 120.0° |
| C3 | N2 | C4 | N3 | 179.6° | 180.0° |
| C3 | N2 | C5 | C6 | 180.0° | 180.0° |
| N2 | C4 | O2 | N3 | 179.1° | 180.0° |
| C4 | N2 | C3 | H3 | 19.2° | 30.0° |
| C4 | N2 | C3 | H3A | 139.2° | 150.0° |
| N2 | C4 | N3 | N4 | 1.1° | 0.0° |
| N2 | C4 | N3 | C9 | 178.9° | 180.0° |
| C4 | N2 | C5 | C6 | 0.4° | 0.3° |
| C5 | N2 | C4 | O2 | 179.9° | 179.7° |
| C5 | N2 | C3 | H3 | 160.4° | 149.7° |
| C5 | N2 | C3 | H3A | 40.4° | 29.7° |
| C5 | N2 | C4 | N3 | 0.8° | 0.3° |
| N2 | C5 | C6 | N4 | 0.2° | 0.0° |
| N2 | C5 | C6 | C14 | 179.7° | 179.7° |
| O2 | C4 | N3 | N4 | 179.9° | 180.0° |
| O2 | C4 | N3 | C9 | 2.1° | 0.0° |
| F3 | C13 | C8 | C7 | 13.1° | 150.0° |
| F3 | C13 | C8 | C10 | 166.8° | 30.0° |
| C4 | N3 | N4 | C9 | 178.0° | 180.0° |
| C4 | N3 | N4 | C6 | 0.9° | 0.3° |
| C4 | N3 | C9 | C7 | 127.9° | 49.1° |
| C4 | N3 | C9 | C11 | 55.4° | 130.9° |
| N3 | N4 | C6 | C5 | 0.4° | 0.3° |
| N3 | N4 | C6 | C14 | 180.0° | 180.0° |
| N4 | N3 | C9 | C7 | 54.2° | 130.9° |
| N4 | N3 | C9 | C11 | 122.5° | 49.1° |
| C9 | N3 | N4 | C6 | 178.8° | 179.7° |
| N3 | C9 | C7 | C8 | 178.6° | 180.0° |
| N3 | C9 | C7 | C11 | 176.7° | 180.0° |
| N3 | C9 | C7 | H7 | 1.4° | 0.2° |
| N3 | C9 | C11 | C12 | 178.7° | 180.0° |
| N3 | C9 | C11 | H11 | 1.3° | 0.0° |
| N4 | C6 | C5 | C14 | 179.6° | 179.7° |
| N4 | C6 | C14 | N15 | 143.0° | 129.9° |
| C5 | C6 | C14 | N15 | 37.4° | 49.8° |
| C8 | C7 | C9 | H7 | 180.0° | 179.8° |
| C7 | C8 | C10 | C13 | 180.0° | 180.0° |
| C8 | C7 | C9 | C11 | 1.9° | 0.0° |
| C7 | C8 | C10 | C12 | 0.0° | 0.0° |
| C7 | C8 | C10 | H10 | 180.0° | 180.0° |
| C9 | C7 | C8 | C10 | 0.9° | 0.0° |
| C9 | C7 | C8 | C13 | 179.1° | 180.0° |
| C7 | C9 | C11 | C12 | 2.0° | 0.1° |
| C7 | C9 | C11 | H11 | 178.0° | 180.0° |
| H7 | C7 | C8 | C10 | 179.1° | 179.8° |
| H7 | C7 | C8 | C13 | 1.0° | 0.2° |
| H7 | C7 | C9 | C11 | 178.1° | 179.8° |
| C8 | C10 | C12 | H10 | 180.0° | 180.0° |
| C8 | C10 | C12 | C11 | 0.0° | 0.0° |
| C8 | C10 | C12 | H12 | 180.0° | 180.0° |
| C13 | C8 | C10 | C12 | 180.0° | 180.0° |
| C13 | C8 | C10 | H10 | 0.0° | 0.0° |
| C9 | C11 | C12 | C10 | 1.0° | 0.1° |
| C9 | C11 | C12 | H11 | 180.0° | 179.9° |
| C9 | C11 | C12 | H12 | 179.0° | 180.0° |
| C10 | C12 | C11 | H12 | 180.0° | 179.9° |
| C10 | C12 | C11 | H11 | 179.0° | 180.0° |
| H10 | C10 | C12 | C11 | 180.0° | 180.0° |
| H10 | C10 | C12 | H12 | 0.0° | 0.0° |
| H11 | C11 | C12 | H12 | 1.0° | 0.1° |
| C17 | C15 | H15 | H15A | 121.3° | 120.0° |
| C15 | C17 | C19 | H17 | 120.0° | 119.9° |
| C15 | C17 | C19 | H17A | 120.0° | 120.0° |
| C15 | C17 | H17 | H17A | 118.9° | 120.1° |
| C15 | C17 | C19 | C20 | 48.2° | 57.7° |
| C15 | C17 | C19 | H19 | 168.2° | 177.6° |
| C15 | C17 | C19 | H19A | 71.9° | 62.3° |
| H15 | C15 | C17 | C19 | 174.4° | 179.2° |
| H15 | C15 | C17 | H17 | 54.4° | 59.2° |
| H15 | C15 | C17 | H17A | 65.6° | 60.9° |
| H15A | C15 | C17 | C19 | 65.6° | 60.9° |
| H15A | C15 | C17 | H17 | 174.4° | 179.2° |
| H15A | C15 | C17 | H17A | 54.4° | 59.1° |
| C19 | C17 | H17 | H17A | 118.9° | 120.1° |
| C17 | C19 | C20 | C18 | 50.1° | 57.7° |
| C17 | C19 | C20 | H19 | 120.0° | 119.9° |
| C17 | C19 | C20 | H19A | 120.0° | 119.8° |
| C17 | C19 | H19 | H19A | 119.0° | 120.1° |
| C17 | C19 | C20 | H20 | 170.1° | 177.6° |
| C17 | C19 | C20 | H20A | 69.9° | 62.3° |
| H17 | C17 | C19 | C20 | 71.9° | 62.3° |
| H17 | C17 | C19 | H19 | 48.1° | 57.6° |
| H17 | C17 | C19 | H19A | 168.1° | 177.8° |
| H17A | C17 | C19 | C20 | 168.2° | 177.6° |
| H17A | C17 | C19 | H19 | 71.8° | 62.4° |
| H17A | C17 | C19 | H19A | 48.1° | 57.7° |
| C20 | C18 | H18 | H18A | 121.7° | 119.9° |
| C18 | C20 | C19 | H20 | 120.0° | 119.9° |
| C18 | C20 | C19 | H20A | 120.0° | 119.9° |
| C18 | C20 | C19 | H19 | 170.1° | 177.6° |
| C18 | C20 | C19 | H19A | 69.9° | 62.2° |
| C18 | C20 | H20 | H20A | 119.2° | 120.1° |
| H18 | C18 | C20 | C19 | 61.9° | 60.8° |
| H18 | C18 | C20 | H20 | 58.1° | 59.1° |
| H18 | C18 | C20 | H20A | 178.1° | 179.2° |
| H18A | C18 | C20 | C19 | 178.1° | 179.2° |
| H18A | C18 | C20 | H20 | 61.9° | 60.8° |
| H18A | C18 | C20 | H20A | 58.1° | 59.3° |
| C20 | C19 | H19 | H19A | 119.0° | 120.2° |
| C19 | C20 | H20 | H20A | 119.2° | 120.1° |
| H19 | C19 | C20 | H20 | 69.9° | 62.5° |
| H19 | C19 | C20 | H20A | 50.1° | 57.6° |
| H19A | C19 | C20 | H20 | 50.1° | 57.7° |
| H19A | C19 | C20 | H20A | 170.1° | 177.9° |
