2RV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F21 | C20 | sing | 1.40Å | 1.31Å | |
| O19 | C20 | sing | 1.43Å | 1.42Å | |
| O19 | C18 | sing | 1.36Å | 1.36Å | |
| C20 | F22 | sing | 1.40Å | 1.33Å | |
| C20 | F23 | sing | 1.40Å | 1.32Å | |
| C18 | C24 | doub | 1.39Å | 1.38Å | Aromatic |
| C18 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C1 | doub | 1.39Å | 1.40Å | Aromatic |
| C16 | C1 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | N2 | sing | 1.40Å | 1.36Å | |
| N2 | C3 | sing | 1.35Å | 1.34Å | |
| C3 | O15 | doub | 1.22Å | 1.22Å | |
| C3 | N4 | sing | 1.35Å | 1.35Å | |
| N4 | C5 | sing | 1.46Å | 1.46Å | |
| C5 | C14 | sing | 1.53Å | 1.52Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| C7 | N8 | sing | 1.47Å | 1.47Å | |
| N8 | C13 | sing | 1.47Å | 1.47Å | |
| N8 | C9 | sing | 1.35Å | 1.34Å | |
| C10 | C9 | sing | 1.51Å | 1.52Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C9 | O12 | doub | 1.21Å | 1.22Å | |
| C17 | H1 | sing | 1.08Å | 1.08Å | |
| C16 | H2 | sing | 1.08Å | 1.08Å | |
| C24 | H3 | sing | 1.08Å | 1.08Å | |
| C25 | H4 | sing | 1.08Å | 1.08Å | |
| N2 | H5 | sing | 0.97Å | 1.00Å | |
| N4 | H6 | sing | 0.97Å | 1.00Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C6 | H14 | sing | 1.09Å | 1.10Å | |
| C6 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F21 | C20 | O19 | 109.6° | 109.5° |
| F21 | C20 | F22 | 110.3° | 109.5° |
| F21 | C20 | F23 | 109.4° | 109.5° |
| C20 | O19 | C18 | 116.0° | 117.0° |
| O19 | C20 | F22 | 110.0° | 109.4° |
| O19 | C20 | F23 | 109.1° | 109.5° |
| O19 | C18 | C24 | 118.9° | 120.0° |
| O19 | C18 | C17 | 121.6° | 120.0° |
| F22 | C20 | F23 | 108.4° | 109.5° |
| C24 | C18 | C17 | 119.4° | 120.1° |
| C18 | C24 | C25 | 119.3° | 120.0° |
| C18 | C24 | H3 | 120.3° | 120.0° |
| C18 | C17 | C16 | 120.8° | 120.0° |
| C18 | C17 | H1 | 119.6° | 120.0° |
| C24 | C25 | C1 | 122.1° | 120.0° |
| C25 | C24 | H3 | 120.3° | 120.0° |
| C24 | C25 | H4 | 119.0° | 120.0° |
| C17 | C16 | C1 | 120.0° | 120.0° |
| C16 | C17 | H1 | 119.6° | 120.0° |
| C17 | C16 | H2 | 120.0° | 120.0° |
| C25 | C1 | C16 | 118.2° | 120.0° |
| C25 | C1 | N2 | 117.2° | 120.0° |
| C1 | C25 | H4 | 118.9° | 120.0° |
| C16 | C1 | N2 | 124.2° | 120.0° |
| C1 | C16 | H2 | 120.0° | 120.1° |
| C1 | N2 | C3 | 125.5° | 120.0° |
| C1 | N2 | H5 | 117.2° | 120.0° |
| N2 | C3 | O15 | 121.1° | 120.0° |
| N2 | C3 | N4 | 114.5° | 120.0° |
| C3 | N2 | H5 | 117.2° | 120.0° |
| O15 | C3 | N4 | 124.3° | 120.0° |
| C3 | N4 | C5 | 128.1° | 120.0° |
| C3 | N4 | H6 | 115.9° | 120.0° |
| N4 | C5 | C14 | 108.6° | 109.5° |
| N4 | C5 | C6 | 117.4° | 109.5° |
| C5 | N4 | H6 | 116.0° | 120.0° |
| N4 | C5 | H7 | 108.3° | 109.5° |
| C14 | C5 | C6 | 107.2° | 109.5° |
| C5 | C14 | C13 | 113.5° | 109.3° |
| C14 | C5 | H7 | 107.4° | 109.5° |
| C5 | C14 | H8 | 108.4° | 109.5° |
| C5 | C14 | H9 | 108.4° | 109.5° |
| C5 | C6 | C7 | 109.8° | 109.3° |
| C6 | C5 | H7 | 107.5° | 109.4° |
| C5 | C6 | H14 | 109.4° | 109.5° |
| C5 | C6 | H15 | 109.4° | 109.5° |
| C14 | C13 | N8 | 109.5° | 108.8° |
| C13 | C14 | H8 | 108.4° | 109.5° |
| C13 | C14 | H9 | 108.5° | 109.5° |
| C14 | C13 | H10 | 109.5° | 109.5° |
| C14 | C13 | H11 | 109.5° | 109.6° |
| C6 | C7 | N8 | 109.6° | 108.8° |
| C6 | C7 | H12 | 109.4° | 109.6° |
| C6 | C7 | H13 | 109.4° | 109.7° |
| C7 | C6 | H14 | 109.4° | 109.5° |
| C7 | C6 | H15 | 109.4° | 109.5° |
| C7 | N8 | C13 | 115.1° | 118.7° |
| C7 | N8 | C9 | 124.6° | 120.6° |
| N8 | C7 | H12 | 109.4° | 109.5° |
| N8 | C7 | H13 | 109.4° | 109.6° |
| C13 | N8 | C9 | 120.3° | 120.7° |
| N8 | C13 | H10 | 109.4° | 109.6° |
| N8 | C13 | H11 | 109.5° | 109.8° |
| N8 | C9 | C10 | 121.2° | 120.0° |
| N8 | C9 | O12 | 120.7° | 120.0° |
| C9 | C10 | C11 | 108.8° | 109.4° |
| C10 | C9 | O12 | 118.0° | 120.0° |
| C9 | C10 | H16 | 109.6° | 109.4° |
| C9 | C10 | H17 | 109.6° | 109.5° |
| C11 | C10 | H16 | 109.6° | 109.6° |
| C11 | C10 | H17 | 109.6° | 109.4° |
| C10 | C11 | H18 | 109.5° | 109.5° |
| C10 | C11 | H19 | 109.4° | 109.5° |
| C10 | C11 | H20 | 109.4° | 109.5° |
| H8 | C14 | H9 | 109.5° | 109.5° |
| H10 | C13 | H11 | 109.5° | 109.6° |
| H12 | C7 | H13 | 109.5° | 109.6° |
| H14 | C6 | H15 | 109.4° | 109.5° |
| H16 | C10 | H17 | 109.5° | 109.5° |
| H18 | C11 | H19 | 109.4° | 109.4° |
| H18 | C11 | H20 | 109.5° | 109.4° |
| H19 | C11 | H20 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F21 | C20 | O19 | F22 | 121.4° | 120.0° |
| F21 | C20 | O19 | F23 | 119.8° | 120.0° |
| F21 | C20 | O19 | C18 | 176.7° | 180.0° |
| F21 | C20 | F22 | F23 | 119.8° | 120.0° |
| O19 | C20 | F22 | F23 | 119.2° | 120.0° |
| C20 | O19 | C18 | C24 | 113.9° | 180.0° |
| C20 | O19 | C18 | C17 | 64.4° | 0.2° |
| C18 | O19 | C20 | F22 | 55.3° | 60.0° |
| C18 | O19 | C20 | F23 | 63.5° | 60.0° |
| O19 | C18 | C24 | C17 | 178.4° | 179.8° |
| O19 | C18 | C24 | C25 | 179.7° | 180.0° |
| O19 | C18 | C17 | C16 | 179.3° | 180.0° |
| O19 | C18 | C17 | H1 | 0.7° | 0.1° |
| O19 | C18 | C24 | H3 | 0.2° | 0.1° |
| C18 | C24 | C25 | H3 | 180.0° | 179.9° |
| C24 | C18 | C17 | C16 | 1.0° | 0.2° |
| C18 | C24 | C25 | C1 | 1.0° | 0.1° |
| C24 | C18 | C17 | H1 | 179.0° | 179.7° |
| C18 | C24 | C25 | H4 | 179.0° | 180.0° |
| C17 | C18 | C24 | C25 | 1.9° | 0.2° |
| C18 | C17 | C16 | H1 | 180.0° | 180.0° |
| C18 | C17 | C16 | C1 | 0.8° | 0.0° |
| C18 | C17 | C16 | H2 | 179.2° | 179.9° |
| C17 | C18 | C24 | H3 | 178.1° | 179.8° |
| C24 | C25 | C1 | H4 | 180.0° | 180.0° |
| C24 | C25 | C1 | C16 | 0.8° | 0.2° |
| C24 | C25 | C1 | N2 | 174.0° | 180.0° |
| C17 | C16 | C1 | C25 | 1.6° | 0.2° |
| C17 | C16 | C1 | H2 | 180.0° | 179.9° |
| C17 | C16 | C1 | N2 | 174.4° | 180.0° |
| C25 | C1 | C16 | N2 | 172.8° | 179.8° |
| C25 | C1 | N2 | C3 | 153.8° | 146.5° |
| C25 | C1 | C16 | H2 | 178.4° | 179.7° |
| C1 | C25 | C24 | H3 | 179.0° | 180.0° |
| C25 | C1 | N2 | H5 | 26.2° | 33.5° |
| C16 | C1 | N2 | C3 | 19.0° | 33.3° |
| C1 | C16 | C17 | H1 | 179.2° | 179.9° |
| C16 | C1 | C25 | H4 | 179.2° | 179.8° |
| C16 | C1 | N2 | H5 | 161.0° | 146.7° |
| C1 | N2 | C3 | H5 | 180.0° | 180.0° |
| C1 | N2 | C3 | O15 | 0.7° | 5.3° |
| C1 | N2 | C3 | N4 | 176.6° | 174.6° |
| N2 | C1 | C16 | H2 | 5.6° | 0.1° |
| N2 | C1 | C25 | H4 | 6.0° | 0.0° |
| N2 | C3 | O15 | N4 | 177.0° | 179.9° |
| N2 | C3 | N4 | C5 | 161.2° | 180.0° |
| N2 | C3 | N4 | H6 | 18.8° | 0.1° |
| O15 | C3 | N4 | C5 | 16.0° | 0.1° |
| O15 | C3 | N2 | H5 | 179.4° | 174.8° |
| O15 | C3 | N4 | H6 | 164.0° | 180.0° |
| C3 | N4 | C5 | H6 | 180.0° | 179.9° |
| C3 | N4 | C5 | C14 | 166.9° | 155.0° |
| C3 | N4 | C5 | C6 | 45.1° | 84.9° |
| N4 | C3 | N2 | H5 | 3.4° | 5.3° |
| C3 | N4 | C5 | H7 | 76.7° | 35.1° |
| N4 | C5 | C14 | C6 | 127.8° | 120.0° |
| N4 | C5 | C14 | H7 | 117.0° | 120.0° |
| N4 | C5 | C6 | H7 | 122.3° | 120.0° |
| N4 | C5 | C14 | C13 | 154.6° | 178.6° |
| N4 | C5 | C6 | C7 | 169.8° | 178.6° |
| N4 | C5 | C14 | H8 | 34.0° | 61.4° |
| N4 | C5 | C14 | H9 | 84.8° | 58.7° |
| N4 | C5 | C6 | H14 | 49.7° | 58.6° |
| N4 | C5 | C6 | H15 | 70.2° | 61.4° |
| C14 | C5 | C6 | H7 | 115.2° | 120.0° |
| C5 | C14 | C13 | H8 | 120.6° | 120.0° |
| C5 | C14 | C13 | H9 | 120.6° | 119.9° |
| C14 | C5 | C6 | C7 | 67.7° | 61.4° |
| C5 | C14 | C13 | N8 | 34.0° | 54.7° |
| C14 | C5 | N4 | H6 | 13.2° | 25.0° |
| C5 | C14 | H8 | H9 | 118.2° | 120.0° |
| C5 | C14 | C13 | H10 | 86.0° | 174.5° |
| C5 | C14 | C13 | H11 | 154.0° | 65.3° |
| C14 | C5 | C6 | H14 | 172.2° | 178.6° |
| C14 | C5 | C6 | H15 | 52.3° | 58.6° |
| C6 | C5 | C14 | C13 | 26.8° | 61.4° |
| C5 | C6 | C7 | H14 | 120.1° | 120.0° |
| C5 | C6 | C7 | H15 | 120.1° | 120.0° |
| C5 | C6 | C7 | N8 | 42.7° | 54.6° |
| C6 | C5 | N4 | H6 | 134.9° | 95.0° |
| C6 | C5 | C14 | H8 | 93.7° | 58.6° |
| C6 | C5 | C14 | H9 | 147.4° | 178.7° |
| C5 | C6 | C7 | H12 | 77.4° | 174.4° |
| C5 | C6 | C7 | H13 | 162.7° | 65.2° |
| C5 | C6 | H14 | H15 | 119.8° | 120.1° |
| C14 | C13 | N8 | C7 | 62.5° | 53.7° |
| C14 | C13 | N8 | H10 | 120.0° | 119.7° |
| C14 | C13 | N8 | H11 | 120.0° | 119.9° |
| C14 | C13 | N8 | C9 | 118.9° | 126.4° |
| C13 | C14 | C5 | H7 | 88.4° | 58.6° |
| C13 | C14 | H8 | H9 | 118.2° | 120.1° |
| C14 | C13 | H10 | H11 | 120.0° | 120.2° |
| C6 | C7 | N8 | H12 | 120.0° | 119.8° |
| C6 | C7 | N8 | H13 | 120.0° | 119.9° |
| C6 | C7 | N8 | C13 | 22.3° | 53.6° |
| C6 | C7 | N8 | C9 | 159.2° | 126.4° |
| C7 | C6 | C5 | H7 | 47.5° | 58.6° |
| C6 | C7 | H12 | H13 | 119.9° | 120.5° |
| C7 | C6 | H14 | H15 | 119.8° | 120.0° |
| C7 | N8 | C13 | C9 | 178.6° | 180.0° |
| C7 | N8 | C9 | C10 | 17.1° | 0.0° |
| C7 | N8 | C9 | O12 | 162.0° | 180.0° |
| C7 | N8 | C13 | H10 | 57.5° | 173.4° |
| C7 | N8 | C13 | H11 | 177.5° | 66.2° |
| N8 | C7 | H12 | H13 | 119.9° | 120.3° |
| N8 | C7 | C6 | H14 | 162.7° | 174.6° |
| N8 | C7 | C6 | H15 | 77.4° | 65.4° |
| C13 | N8 | C9 | C10 | 164.5° | 180.0° |
| C13 | N8 | C9 | O12 | 16.5° | 0.0° |
| N8 | C13 | C14 | H8 | 154.6° | 65.3° |
| N8 | C13 | C14 | H9 | 86.6° | 174.6° |
| N8 | C13 | H10 | H11 | 120.0° | 120.5° |
| C13 | N8 | C7 | H12 | 142.3° | 173.4° |
| C13 | N8 | C7 | H13 | 97.7° | 66.3° |
| N8 | C9 | C10 | O12 | 179.1° | 180.0° |
| N8 | C9 | C10 | C11 | 157.7° | 179.9° |
| C9 | N8 | C13 | H10 | 121.1° | 6.6° |
| C9 | N8 | C13 | H11 | 1.1° | 113.7° |
| C9 | N8 | C7 | H12 | 39.1° | 6.6° |
| C9 | N8 | C7 | H13 | 80.8° | 113.7° |
| N8 | C9 | C10 | H16 | 82.4° | 60.0° |
| N8 | C9 | C10 | H17 | 37.8° | 60.0° |
| C9 | C10 | C11 | H16 | 119.9° | 120.0° |
| C9 | C10 | C11 | H17 | 119.9° | 120.0° |
| C9 | C10 | H16 | H17 | 120.3° | 120.0° |
| C9 | C10 | C11 | H18 | 180.0° | 60.0° |
| C9 | C10 | C11 | H19 | 60.0° | 180.0° |
| C9 | C10 | C11 | H20 | 60.0° | 60.0° |
| C11 | C10 | C9 | O12 | 21.4° | 0.0° |
| C11 | C10 | H16 | H17 | 120.3° | 120.0° |
| C10 | C11 | H18 | H19 | 120.0° | 120.0° |
| C10 | C11 | H18 | H20 | 120.0° | 120.1° |
| C10 | C11 | H19 | H20 | 120.0° | 120.1° |
| O12 | C9 | C10 | H16 | 98.5° | 120.0° |
| O12 | C9 | C10 | H17 | 141.2° | 120.0° |
| H1 | C17 | C16 | H2 | 0.8° | 0.0° |
| H3 | C24 | C25 | H4 | 1.0° | 0.1° |
| H6 | N4 | C5 | H7 | 103.3° | 145.0° |
| H7 | C5 | C14 | H8 | 151.0° | 178.6° |
| H7 | C5 | C14 | H9 | 32.2° | 61.3° |
| H7 | C5 | C6 | H14 | 72.6° | 61.4° |
| H7 | C5 | C6 | H15 | 167.6° | 178.6° |
| H8 | C14 | C13 | H10 | 34.6° | 54.5° |
| H8 | C14 | C13 | H11 | 85.4° | 174.7° |
| H9 | C14 | C13 | H10 | 153.4° | 65.6° |
| H9 | C14 | C13 | H11 | 33.4° | 54.5° |
| H12 | C7 | C6 | H14 | 42.7° | 65.6° |
| H12 | C7 | C6 | H15 | 162.6° | 54.4° |
| H13 | C7 | C6 | H14 | 77.3° | 54.8° |
| H13 | C7 | C6 | H15 | 42.6° | 174.8° |
| H16 | C10 | C11 | H18 | 60.1° | 59.9° |
| H16 | C10 | C11 | H19 | 179.9° | 60.0° |
| H16 | C10 | C11 | H20 | 59.9° | 179.9° |
| H17 | C10 | C11 | H18 | 60.1° | 180.0° |
| H17 | C10 | C11 | H19 | 59.9° | 60.1° |
| H17 | C10 | C11 | H20 | 179.9° | 60.0° |
| H18 | C11 | H19 | H20 | 120.1° | 119.9° |
