5V8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | N17 | sing | 1.47Å | 1.47Å | |
| N17 | C16 | sing | 1.35Å | 1.34Å | |
| C16 | O19 | doub | 1.22Å | 1.22Å | |
| C16 | C15 | sing | 1.47Å | 1.47Å | |
| C22 | C21 | sing | 1.51Å | 1.51Å | |
| C22 | N23 | sing | 1.47Å | 1.50Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C24 | N23 | sing | 1.47Å | 1.48Å | |
| O12 | C11 | sing | 1.36Å | 1.36Å | |
| C13 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C15 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C20 | sing | 1.48Å | 1.49Å | Aromatic |
| C14 | C8 | doub | 1.40Å | 1.40Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.40Å | 1.41Å | Aromatic |
| C8 | C7 | sing | 1.47Å | 1.48Å | |
| C21 | C20 | doub | 1.39Å | 1.41Å | Aromatic |
| C21 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | O6 | sing | 1.34Å | 1.34Å | Aromatic |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C20 | C5 | sing | 1.40Å | 1.41Å | Aromatic |
| N23 | C28 | sing | 1.47Å | 1.48Å | |
| O1 | C2 | sing | 1.36Å | 1.37Å | |
| C2 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| O6 | C5 | sing | 1.35Å | 1.35Å | Aromatic |
| C5 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| C28 | C27 | sing | 1.53Å | 1.54Å | |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C10 | H3 | sing | 1.08Å | 1.08Å | |
| C18 | H4 | sing | 1.09Å | 1.10Å | |
| C18 | H5 | sing | 1.09Å | 1.10Å | |
| C18 | H6 | sing | 1.09Å | 1.10Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C25 | H9 | sing | 1.09Å | 1.10Å | |
| C25 | H10 | sing | 1.09Å | 1.10Å | |
| C26 | H11 | sing | 1.09Å | 1.10Å | |
| C26 | H12 | sing | 1.09Å | 1.10Å | |
| O1 | H13 | sing | 0.97Å | 0.95Å | |
| C9 | H14 | sing | 1.08Å | 1.08Å | |
| C13 | H15 | sing | 1.08Å | 1.08Å | |
| C14 | H16 | sing | 1.08Å | 1.08Å | |
| C22 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| O12 | H19 | sing | 0.97Å | 0.95Å | |
| N17 | H20 | sing | 0.97Å | 1.00Å | |
| C27 | H22 | sing | 1.09Å | 1.10Å | |
| C27 | H23 | sing | 1.09Å | 1.10Å | |
| C28 | H24 | sing | 1.09Å | 1.10Å | |
| C28 | H25 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | N17 | C16 | 119.9° | 120.0° |
| N17 | C18 | H4 | 109.5° | 109.4° |
| N17 | C18 | H5 | 109.5° | 109.5° |
| N17 | C18 | H6 | 109.4° | 109.5° |
| C18 | N17 | H20 | 120.0° | 120.0° |
| N17 | C16 | O19 | 120.2° | 120.0° |
| N17 | C16 | C15 | 117.6° | 120.0° |
| C16 | N17 | H20 | 120.0° | 120.0° |
| O19 | C16 | C15 | 122.2° | 120.0° |
| C16 | C15 | C7 | 127.2° | 127.3° |
| C16 | C15 | C20 | 126.6° | 127.3° |
| C21 | C22 | N23 | 109.4° | 109.5° |
| C22 | C21 | C20 | 122.5° | 120.2° |
| C22 | C21 | C2 | 117.9° | 120.2° |
| C21 | C22 | H17 | 109.5° | 109.5° |
| C21 | C22 | H18 | 109.5° | 109.5° |
| C22 | N23 | C24 | 108.1° | 111.0° |
| C22 | N23 | C28 | 112.5° | 111.0° |
| N23 | C22 | H17 | 109.5° | 109.5° |
| N23 | C22 | H18 | 109.5° | 109.5° |
| C25 | C24 | N23 | 110.3° | 109.5° |
| C24 | C25 | C26 | 107.9° | 109.3° |
| C25 | C24 | H7 | 109.3° | 109.5° |
| C25 | C24 | H8 | 109.2° | 109.5° |
| C24 | C25 | H9 | 109.9° | 109.5° |
| C24 | C25 | H10 | 109.9° | 109.5° |
| C24 | N23 | C28 | 111.0° | 111.2° |
| N23 | C24 | H7 | 109.3° | 109.4° |
| N23 | C24 | H8 | 109.3° | 109.5° |
| O12 | C11 | C13 | 119.9° | 119.9° |
| O12 | C11 | C10 | 119.9° | 119.9° |
| C11 | O12 | H19 | 109.5° | 114.0° |
| C11 | C13 | C14 | 119.8° | 120.1° |
| C13 | C11 | C10 | 120.2° | 120.2° |
| C11 | C13 | H15 | 120.1° | 120.0° |
| C13 | C14 | C8 | 120.8° | 119.9° |
| C14 | C13 | H15 | 120.1° | 119.9° |
| C13 | C14 | H16 | 119.6° | 120.0° |
| C11 | C10 | C9 | 120.2° | 120.1° |
| C11 | C10 | H3 | 119.9° | 119.9° |
| C7 | C15 | C20 | 106.2° | 105.4° |
| C15 | C7 | C8 | 130.3° | 125.3° |
| C15 | C7 | O6 | 108.4° | 109.3° |
| C15 | C20 | C21 | 136.3° | 133.9° |
| C15 | C20 | C5 | 104.6° | 105.7° |
| C14 | C8 | C9 | 119.0° | 119.8° |
| C14 | C8 | C7 | 122.4° | 120.1° |
| C8 | C14 | H16 | 119.6° | 120.1° |
| C10 | C9 | C8 | 120.1° | 119.9° |
| C9 | C10 | H3 | 119.9° | 119.9° |
| C10 | C9 | H14 | 119.9° | 120.1° |
| C9 | C8 | C7 | 118.6° | 120.1° |
| C8 | C9 | H14 | 120.0° | 120.1° |
| C8 | C7 | O6 | 121.3° | 125.3° |
| C20 | C21 | C2 | 119.6° | 119.6° |
| C21 | C20 | C5 | 119.1° | 120.4° |
| C21 | C2 | O1 | 120.6° | 120.0° |
| C21 | C2 | C3 | 120.3° | 120.1° |
| C7 | O6 | C5 | 112.5° | 111.5° |
| C25 | C26 | C27 | 107.4° | 109.1° |
| C26 | C25 | H9 | 109.9° | 109.5° |
| C26 | C25 | H10 | 109.9° | 109.5° |
| C25 | C26 | H11 | 110.0° | 109.5° |
| C25 | C26 | H12 | 110.0° | 109.6° |
| C20 | C5 | O6 | 108.4° | 108.1° |
| C20 | C5 | C4 | 120.0° | 119.3° |
| N23 | C28 | C27 | 115.1° | 109.5° |
| N23 | C28 | H24 | 108.0° | 109.4° |
| N23 | C28 | H25 | 108.0° | 109.4° |
| O1 | C2 | C3 | 119.1° | 120.0° |
| C2 | O1 | H13 | 109.5° | 114.0° |
| C2 | C3 | C4 | 120.3° | 120.6° |
| C2 | C3 | H1 | 119.8° | 119.7° |
| O6 | C5 | C4 | 131.6° | 132.7° |
| C5 | C4 | C3 | 120.6° | 120.1° |
| C5 | C4 | H2 | 119.7° | 119.9° |
| C26 | C27 | C28 | 108.6° | 109.3° |
| C27 | C26 | H11 | 110.0° | 109.5° |
| C27 | C26 | H12 | 110.0° | 109.5° |
| C26 | C27 | H22 | 109.7° | 109.5° |
| C26 | C27 | H23 | 109.7° | 109.5° |
| C28 | C27 | H22 | 109.7° | 109.5° |
| C28 | C27 | H23 | 109.7° | 109.5° |
| C27 | C28 | H24 | 108.0° | 109.5° |
| C27 | C28 | H25 | 108.1° | 109.5° |
| C4 | C3 | H1 | 119.9° | 119.7° |
| C3 | C4 | H2 | 119.7° | 119.9° |
| H4 | C18 | H5 | 109.5° | 109.5° |
| H4 | C18 | H6 | 109.5° | 109.5° |
| H5 | C18 | H6 | 109.5° | 109.5° |
| H7 | C24 | H8 | 109.5° | 109.5° |
| H9 | C25 | H10 | 109.5° | 109.5° |
| H11 | C26 | H12 | 109.5° | 109.6° |
| H17 | C22 | H18 | 109.5° | 109.5° |
| H22 | C27 | H23 | 109.5° | 109.5° |
| H24 | C28 | H25 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | N17 | C16 | H20 | 180.0° | 180.0° |
| C18 | N17 | C16 | O19 | 2.5° | 0.0° |
| C18 | N17 | C16 | C15 | 179.7° | 180.0° |
| N17 | C18 | H4 | H5 | 120.0° | 120.0° |
| N17 | C18 | H4 | H6 | 120.0° | 120.0° |
| N17 | C18 | H5 | H6 | 120.0° | 120.0° |
| N17 | C16 | O19 | C15 | 177.7° | 179.9° |
| N17 | C16 | C15 | C7 | 50.3° | 85.7° |
| N17 | C16 | C15 | C20 | 127.8° | 94.4° |
| C16 | N17 | C18 | H4 | 180.0° | 60.0° |
| C16 | N17 | C18 | H5 | 60.0° | 179.9° |
| C16 | N17 | C18 | H6 | 60.0° | 60.0° |
| O19 | C16 | C15 | C7 | 132.0° | 94.3° |
| O19 | C16 | C15 | C20 | 49.9° | 85.7° |
| O19 | C16 | N17 | H20 | 177.6° | 179.9° |
| C16 | C15 | C7 | C20 | 178.4° | 180.0° |
| C16 | C15 | C7 | C8 | 2.0° | 0.0° |
| C16 | C15 | C20 | C21 | 1.4° | 0.3° |
| C16 | C15 | C7 | O6 | 178.8° | 180.0° |
| C16 | C15 | C20 | C5 | 178.9° | 180.0° |
| C15 | C16 | N17 | H20 | 0.2° | 0.0° |
| C21 | C22 | N23 | H17 | 120.0° | 120.0° |
| C21 | C22 | N23 | H18 | 120.0° | 120.0° |
| C21 | C22 | N23 | C24 | 171.4° | 168.7° |
| C22 | C21 | C20 | C15 | 0.8° | 0.0° |
| C22 | C21 | C20 | C2 | 179.1° | 179.9° |
| C22 | C21 | C20 | C5 | 178.9° | 179.7° |
| C21 | C22 | N23 | C28 | 65.6° | 67.1° |
| C22 | C21 | C2 | O1 | 0.9° | 0.1° |
| C22 | C21 | C2 | C3 | 178.6° | 179.7° |
| C21 | C22 | H17 | H18 | 120.0° | 120.0° |
| C22 | N23 | C24 | C25 | 179.7° | 174.1° |
| C22 | N23 | C24 | C28 | 123.9° | 124.1° |
| N23 | C22 | C21 | C20 | 83.4° | 83.6° |
| N23 | C22 | C21 | C2 | 95.7° | 96.5° |
| C22 | N23 | C28 | C27 | 172.4° | 174.2° |
| C22 | N23 | C24 | H7 | 59.5° | 65.9° |
| C22 | N23 | C24 | H8 | 60.2° | 54.1° |
| N23 | C22 | H17 | H18 | 120.0° | 120.0° |
| C22 | N23 | C28 | H24 | 51.6° | 65.8° |
| C22 | N23 | C28 | H25 | 66.8° | 54.1° |
| C25 | C24 | N23 | H7 | 120.1° | 120.0° |
| C25 | C24 | N23 | H8 | 120.1° | 120.0° |
| C24 | C25 | C26 | H9 | 119.8° | 120.0° |
| C24 | C25 | C26 | H10 | 119.7° | 119.9° |
| C25 | C24 | N23 | C28 | 55.8° | 61.8° |
| C24 | C25 | C26 | C27 | 65.5° | 57.7° |
| C25 | C24 | H7 | H8 | 119.6° | 120.0° |
| C24 | C25 | H9 | H10 | 120.8° | 120.1° |
| C24 | C25 | C26 | H11 | 174.8° | 177.6° |
| C24 | C25 | C26 | H12 | 54.2° | 62.1° |
| N23 | C24 | C25 | C26 | 64.3° | 59.2° |
| C24 | N23 | C28 | C27 | 51.0° | 61.7° |
| N23 | C24 | H7 | H8 | 119.6° | 120.0° |
| N23 | C24 | C25 | H9 | 55.4° | 60.8° |
| N23 | C24 | C25 | H10 | 175.9° | 179.1° |
| C24 | N23 | C22 | H17 | 51.4° | 48.7° |
| C24 | N23 | C22 | H18 | 68.6° | 71.3° |
| C24 | N23 | C28 | H24 | 69.8° | 58.3° |
| C24 | N23 | C28 | H25 | 171.9° | 178.2° |
| O12 | C11 | C13 | C10 | 179.8° | 179.9° |
| O12 | C11 | C13 | C14 | 179.9° | 180.0° |
| O12 | C11 | C10 | C9 | 179.8° | 180.0° |
| O12 | C11 | C10 | H3 | 0.2° | 0.4° |
| O12 | C11 | C13 | H15 | 0.1° | 0.1° |
| C11 | C13 | C14 | H15 | 180.0° | 179.9° |
| C11 | C13 | C14 | C8 | 0.4° | 0.3° |
| C13 | C11 | C10 | C9 | 0.0° | 0.1° |
| C13 | C11 | C10 | H3 | 180.0° | 179.7° |
| C11 | C13 | C14 | H16 | 179.6° | 179.9° |
| C13 | C11 | O12 | H19 | 180.0° | 90.1° |
| C14 | C13 | C11 | C10 | 0.1° | 0.1° |
| C13 | C14 | C8 | H16 | 180.0° | 179.8° |
| C13 | C14 | C8 | C9 | 0.9° | 0.5° |
| C13 | C14 | C8 | C7 | 179.0° | 180.0° |
| C11 | C10 | C9 | H3 | 180.0° | 179.6° |
| C11 | C10 | C9 | C8 | 0.5° | 0.3° |
| C11 | C10 | C9 | H14 | 179.6° | 179.6° |
| C10 | C11 | C13 | H15 | 179.9° | 180.0° |
| C10 | C11 | O12 | H19 | 0.2° | 90.0° |
| C15 | C7 | C8 | C14 | 28.2° | 0.5° |
| C15 | C7 | C8 | C9 | 153.7° | 180.0° |
| C15 | C7 | C8 | O6 | 179.0° | 180.0° |
| C7 | C15 | C20 | C21 | 179.8° | 179.7° |
| C7 | C15 | C20 | C5 | 0.5° | 0.0° |
| C15 | C7 | O6 | C5 | 0.2° | 0.1° |
| C20 | C15 | C7 | C8 | 179.6° | 180.0° |
| C15 | C20 | C21 | C5 | 179.7° | 179.7° |
| C15 | C20 | C21 | C2 | 179.9° | 179.8° |
| C20 | C15 | C7 | O6 | 0.4° | 0.0° |
| C15 | C20 | C5 | O6 | 0.3° | 0.0° |
| C15 | C20 | C5 | C4 | 179.6° | 180.0° |
| C14 | C8 | C9 | C10 | 0.9° | 0.5° |
| C14 | C8 | C9 | C7 | 178.2° | 179.5° |
| C14 | C8 | C7 | O6 | 150.8° | 179.5° |
| C14 | C8 | C9 | H14 | 179.1° | 179.4° |
| C8 | C14 | C13 | H15 | 179.6° | 179.8° |
| C10 | C9 | C8 | H14 | 180.0° | 179.9° |
| C10 | C9 | C8 | C7 | 179.1° | 180.0° |
| C9 | C8 | C7 | O6 | 27.3° | 0.0° |
| C8 | C9 | C10 | H3 | 179.5° | 179.9° |
| C9 | C8 | C14 | H16 | 179.1° | 179.8° |
| C8 | C7 | O6 | C5 | 179.5° | 180.0° |
| C7 | C8 | C9 | H14 | 0.9° | 0.1° |
| C7 | C8 | C14 | H16 | 1.0° | 0.2° |
| C20 | C21 | C2 | O1 | 180.0° | 179.8° |
| C20 | C21 | C2 | C3 | 0.5° | 0.5° |
| C21 | C20 | C5 | O6 | 179.9° | 179.7° |
| C21 | C20 | C5 | C4 | 0.3° | 0.2° |
| C20 | C21 | C22 | H17 | 36.6° | 36.4° |
| C20 | C21 | C22 | H18 | 156.6° | 156.4° |
| C2 | C21 | C20 | C5 | 0.2° | 0.5° |
| C21 | C2 | O1 | C3 | 179.5° | 179.7° |
| C21 | C2 | C3 | C4 | 0.3° | 0.2° |
| C21 | C2 | C3 | H1 | 179.7° | 179.7° |
| C21 | C2 | O1 | H13 | 180.0° | 89.8° |
| C2 | C21 | C22 | H17 | 144.3° | 143.5° |
| C2 | C21 | C22 | H18 | 24.3° | 23.5° |
| C7 | O6 | C5 | C20 | 0.1° | 0.1° |
| C7 | O6 | C5 | C4 | 179.8° | 180.0° |
| C25 | C26 | C27 | H11 | 119.6° | 119.9° |
| C25 | C26 | C27 | H12 | 119.7° | 119.9° |
| C25 | C26 | C27 | C28 | 58.5° | 57.7° |
| C26 | C25 | C24 | H7 | 55.8° | 60.8° |
| C26 | C25 | C24 | H8 | 175.6° | 179.2° |
| C26 | C25 | H9 | H10 | 120.7° | 120.0° |
| C25 | C26 | H11 | H12 | 121.0° | 120.2° |
| C25 | C26 | C27 | H22 | 61.3° | 62.3° |
| C25 | C26 | C27 | H23 | 178.4° | 177.6° |
| C20 | C5 | O6 | C4 | 179.9° | 179.9° |
| C20 | C5 | C4 | C3 | 0.4° | 0.0° |
| C20 | C5 | C4 | H2 | 179.6° | 180.0° |
| N23 | C28 | C27 | C26 | 52.7° | 59.2° |
| N23 | C28 | C27 | H24 | 120.8° | 120.0° |
| N23 | C28 | C27 | H25 | 120.8° | 120.0° |
| C28 | N23 | C24 | H7 | 64.4° | 58.2° |
| C28 | N23 | C24 | H8 | 175.9° | 178.2° |
| C28 | N23 | C22 | H17 | 174.4° | 172.9° |
| C28 | N23 | C22 | H18 | 54.4° | 52.9° |
| N23 | C28 | C27 | H22 | 67.2° | 60.8° |
| N23 | C28 | C27 | H23 | 172.6° | 179.1° |
| N23 | C28 | H24 | H25 | 117.4° | 120.0° |
| O1 | C2 | C3 | C4 | 179.9° | 180.0° |
| O1 | C2 | C3 | H1 | 0.1° | 0.0° |
| C2 | C3 | C4 | C5 | 0.1° | 0.0° |
| C2 | C3 | C4 | H1 | 180.0° | 180.0° |
| C2 | C3 | C4 | H2 | 179.9° | 180.0° |
| C3 | C2 | O1 | H13 | 0.5° | 90.0° |
| O6 | C5 | C4 | C3 | 179.7° | 180.0° |
| O6 | C5 | C4 | H2 | 0.2° | 0.1° |
| C5 | C4 | C3 | H2 | 180.0° | 180.0° |
| C5 | C4 | C3 | H1 | 179.9° | 180.0° |
| C26 | C27 | C28 | H22 | 119.9° | 119.9° |
| C26 | C27 | C28 | H23 | 119.9° | 120.0° |
| C27 | C26 | C25 | H9 | 54.3° | 62.3° |
| C27 | C26 | C25 | H10 | 174.8° | 177.6° |
| C27 | C26 | H11 | H12 | 121.0° | 120.1° |
| C26 | C27 | H22 | H23 | 120.4° | 120.1° |
| C26 | C27 | C28 | H24 | 68.1° | 60.8° |
| C26 | C27 | C28 | H25 | 173.5° | 179.2° |
| C28 | C27 | C26 | H11 | 178.2° | 177.5° |
| C28 | C27 | C26 | H12 | 61.2° | 62.2° |
| C28 | C27 | H22 | H23 | 120.4° | 120.1° |
| C27 | C28 | H24 | H25 | 117.5° | 120.0° |
| H1 | C3 | C4 | H2 | 0.1° | 0.0° |
| H3 | C10 | C9 | H14 | 0.5° | 0.0° |
| H4 | C18 | H5 | H6 | 120.0° | 120.0° |
| H4 | C18 | N17 | H20 | 0.0° | 120.1° |
| H5 | C18 | N17 | H20 | 120.0° | 0.1° |
| H6 | C18 | N17 | H20 | 120.0° | 120.0° |
| H7 | C24 | C25 | H9 | 175.6° | 179.3° |
| H7 | C24 | C25 | H10 | 63.9° | 59.1° |
| H8 | C24 | C25 | H9 | 64.7° | 59.3° |
| H8 | C24 | C25 | H10 | 55.8° | 60.9° |
| H9 | C25 | C26 | H11 | 65.4° | 57.6° |
| H9 | C25 | C26 | H12 | 173.9° | 177.8° |
| H10 | C25 | C26 | H11 | 55.1° | 62.5° |
| H10 | C25 | C26 | H12 | 65.6° | 57.8° |
| H11 | C26 | C27 | H22 | 58.3° | 57.6° |
| H11 | C26 | C27 | H23 | 62.0° | 62.5° |
| H12 | C26 | C27 | H22 | 179.0° | 177.8° |
| H12 | C26 | C27 | H23 | 58.7° | 57.7° |
| H15 | C13 | C14 | H16 | 0.4° | 0.0° |
| H22 | C27 | C28 | H24 | 172.0° | 179.3° |
| H22 | C27 | C28 | H25 | 53.7° | 59.2° |
| H23 | C27 | C28 | H24 | 51.8° | 59.1° |
| H23 | C27 | C28 | H25 | 66.6° | 60.9° |
