5VX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O23 | C22 | doub | 1.22Å | 1.24Å | |
| O24 | C22 | sing | 1.35Å | 1.26Å | |
| C22 | C21 | sing | 1.47Å | 1.48Å | |
| C21 | C20 | sing | 1.41Å | 1.40Å | Aromatic |
| C21 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| F29 | C26 | sing | 1.40Å | 1.33Å | |
| C20 | N19 | doub | 1.30Å | 1.32Å | Aromatic |
| C25 | C26 | sing | 1.51Å | 1.50Å | |
| C25 | N18 | sing | 1.35Å | 1.36Å | Aromatic |
| F28 | C26 | sing | 1.40Å | 1.33Å | |
| C26 | F27 | sing | 1.40Å | 1.33Å | |
| N19 | N18 | sing | 1.40Å | 1.37Å | Aromatic |
| C1 | N2 | sing | 1.46Å | 1.46Å | |
| N18 | C16 | sing | 1.40Å | 1.41Å | |
| C3 | N2 | sing | 1.46Å | 1.46Å | |
| N2 | C4 | sing | 1.35Å | 1.34Å | |
| C16 | N17 | doub | 1.32Å | 1.33Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.38Å | Aromatic |
| N17 | C12 | sing | 1.33Å | 1.34Å | Aromatic |
| C4 | O5 | doub | 1.22Å | 1.23Å | |
| C4 | C6 | sing | 1.48Å | 1.50Å | |
| C11 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.37Å | Aromatic |
| C6 | C7 | sing | 1.40Å | 1.39Å | Aromatic |
| C12 | C10 | sing | 1.48Å | 1.48Å | |
| C12 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.39Å | 1.38Å | Aromatic |
| C1 | H31 | sing | 1.09Å | 1.10Å | |
| C1 | H32 | sing | 1.09Å | 1.10Å | |
| C1 | H30 | sing | 1.09Å | 1.10Å | |
| C3 | H35 | sing | 1.09Å | 1.10Å | |
| C3 | H33 | sing | 1.09Å | 1.10Å | |
| C3 | H34 | sing | 1.09Å | 1.10Å | |
| C7 | H36 | sing | 1.08Å | 1.08Å | |
| C8 | H37 | sing | 1.08Å | 1.08Å | |
| C11 | H39 | sing | 1.08Å | 1.08Å | |
| C13 | H40 | sing | 1.08Å | 1.08Å | |
| C14 | H41 | sing | 1.08Å | 1.08Å | |
| C15 | H42 | sing | 1.08Å | 1.08Å | |
| C9 | H38 | sing | 1.08Å | 1.08Å | |
| C20 | H43 | sing | 1.08Å | 1.08Å | |
| O24 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O23 | C22 | O24 | 124.4° | 119.9° |
| O23 | C22 | C21 | 119.4° | 120.0° |
| O24 | C22 | C21 | 116.2° | 120.0° |
| C22 | O24 | H1 | 109.5° | 117.0° |
| C22 | C21 | C20 | 123.2° | 126.4° |
| C22 | C21 | C25 | 132.0° | 126.4° |
| C20 | C21 | C25 | 104.8° | 107.1° |
| C21 | C20 | N19 | 112.1° | 108.1° |
| C21 | C20 | H43 | 124.0° | 126.0° |
| C21 | C25 | C26 | 130.7° | 126.3° |
| C21 | C25 | N18 | 106.3° | 107.4° |
| F29 | C26 | C25 | 112.0° | 109.5° |
| F29 | C26 | F28 | 107.0° | 109.4° |
| F29 | C26 | F27 | 105.5° | 109.4° |
| C20 | N19 | N18 | 104.9° | 108.9° |
| N19 | C20 | H43 | 124.0° | 125.9° |
| C26 | C25 | N18 | 123.0° | 126.3° |
| C25 | C26 | F28 | 113.9° | 109.5° |
| C25 | C26 | F27 | 111.6° | 109.5° |
| C25 | N18 | N19 | 111.9° | 108.4° |
| C25 | N18 | C16 | 131.1° | 125.8° |
| F28 | C26 | F27 | 106.3° | 109.5° |
| N19 | N18 | C16 | 116.9° | 125.8° |
| C1 | N2 | C3 | 115.7° | 120.0° |
| C1 | N2 | C4 | 121.1° | 120.0° |
| N2 | C1 | H31 | 109.5° | 109.5° |
| N2 | C1 | H32 | 109.5° | 109.5° |
| N2 | C1 | H30 | 109.4° | 109.5° |
| N18 | C16 | N17 | 111.9° | 119.6° |
| N18 | C16 | C15 | 123.8° | 119.7° |
| C3 | N2 | C4 | 123.1° | 120.0° |
| N2 | C3 | H35 | 109.5° | 109.5° |
| N2 | C3 | H33 | 109.4° | 109.5° |
| N2 | C3 | H34 | 109.4° | 109.5° |
| N2 | C4 | O5 | 121.3° | 120.0° |
| N2 | C4 | C6 | 121.2° | 120.0° |
| N17 | C16 | C15 | 124.3° | 120.7° |
| C16 | N17 | C12 | 117.8° | 121.6° |
| C16 | C15 | C14 | 118.0° | 119.4° |
| C16 | C15 | H42 | 121.0° | 120.3° |
| N17 | C12 | C10 | 115.6° | 119.7° |
| N17 | C12 | C13 | 121.7° | 120.6° |
| O5 | C4 | C6 | 117.4° | 120.0° |
| C4 | C6 | C11 | 117.9° | 120.0° |
| C4 | C6 | C7 | 122.9° | 120.1° |
| C6 | C11 | C10 | 121.2° | 119.7° |
| C11 | C6 | C7 | 119.2° | 119.8° |
| C6 | C11 | H39 | 119.4° | 120.2° |
| C11 | C10 | C12 | 120.3° | 120.0° |
| C11 | C10 | C9 | 118.4° | 119.9° |
| C10 | C11 | H39 | 119.4° | 120.1° |
| C15 | C14 | C13 | 118.9° | 118.5° |
| C15 | C14 | H41 | 120.6° | 120.7° |
| C14 | C15 | H42 | 121.0° | 120.3° |
| C6 | C7 | C8 | 120.4° | 120.1° |
| C6 | C7 | H36 | 119.8° | 120.0° |
| C10 | C12 | C13 | 122.7° | 119.7° |
| C12 | C10 | C9 | 121.3° | 120.1° |
| C12 | C13 | C14 | 119.3° | 119.2° |
| C12 | C13 | H40 | 120.3° | 120.4° |
| C10 | C9 | C8 | 120.9° | 120.2° |
| C10 | C9 | H38 | 119.5° | 119.9° |
| C7 | C8 | C9 | 119.9° | 120.3° |
| C8 | C7 | H36 | 119.8° | 119.9° |
| C7 | C8 | H37 | 120.1° | 119.9° |
| C9 | C8 | H37 | 120.1° | 119.9° |
| C8 | C9 | H38 | 119.5° | 119.9° |
| C14 | C13 | H40 | 120.4° | 120.4° |
| C13 | C14 | H41 | 120.5° | 120.7° |
| H31 | C1 | H32 | 109.5° | 109.5° |
| H31 | C1 | H30 | 109.5° | 109.5° |
| H32 | C1 | H30 | 109.5° | 109.4° |
| H35 | C3 | H33 | 109.5° | 109.4° |
| H35 | C3 | H34 | 109.5° | 109.5° |
| H33 | C3 | H34 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O23 | C22 | O24 | C21 | 179.8° | 179.9° |
| O23 | C22 | C21 | C20 | 34.0° | 180.0° |
| O23 | C22 | C21 | C25 | 146.2° | 0.1° |
| O23 | C22 | O24 | H1 | 0.0° | 0.0° |
| O24 | C22 | C21 | C20 | 145.8° | 0.1° |
| O24 | C22 | C21 | C25 | 34.0° | 180.0° |
| C22 | C21 | C20 | C25 | 179.9° | 180.0° |
| C22 | C21 | C20 | N19 | 179.9° | 179.9° |
| C22 | C21 | C25 | C26 | 0.3° | 0.2° |
| C22 | C21 | C25 | N18 | 180.0° | 179.8° |
| C22 | C21 | C20 | H43 | 0.1° | 0.1° |
| C21 | C22 | O24 | H1 | 179.8° | 180.0° |
| C21 | C20 | N19 | H43 | 180.0° | 179.9° |
| C20 | C21 | C25 | C26 | 179.8° | 179.9° |
| C20 | C21 | C25 | N18 | 0.1° | 0.1° |
| C21 | C20 | N19 | N18 | 0.1° | 0.1° |
| C21 | C25 | C26 | F29 | 24.6° | 150.0° |
| C25 | C21 | C20 | N19 | 0.0° | 0.0° |
| C21 | C25 | C26 | N18 | 179.6° | 180.0° |
| C21 | C25 | C26 | F28 | 97.0° | 30.0° |
| C21 | C25 | C26 | F27 | 142.7° | 90.0° |
| C21 | C25 | N18 | N19 | 0.2° | 0.2° |
| C21 | C25 | N18 | C16 | 179.7° | 179.9° |
| C25 | C21 | C20 | H43 | 180.0° | 179.9° |
| F29 | C26 | C25 | F28 | 121.7° | 120.0° |
| F29 | C26 | C25 | F27 | 118.0° | 120.0° |
| F29 | C26 | C25 | N18 | 155.0° | 30.0° |
| F29 | C26 | F28 | F27 | 112.4° | 120.0° |
| C20 | N19 | N18 | C25 | 0.2° | 0.2° |
| C20 | N19 | N18 | C16 | 179.7° | 179.9° |
| C25 | C26 | F28 | F27 | 123.2° | 120.0° |
| C26 | C25 | N18 | N19 | 179.9° | 179.8° |
| C26 | C25 | N18 | C16 | 0.6° | 0.0° |
| N18 | C25 | C26 | F28 | 83.3° | 150.0° |
| N18 | C25 | C26 | F27 | 37.0° | 90.0° |
| C25 | N18 | N19 | C16 | 179.5° | 179.8° |
| C25 | N18 | C16 | N17 | 54.4° | 25.0° |
| C25 | N18 | C16 | C15 | 125.9° | 154.4° |
| N19 | N18 | C16 | N17 | 125.0° | 154.8° |
| N19 | N18 | C16 | C15 | 54.7° | 25.9° |
| N18 | N19 | C20 | H43 | 179.9° | 179.8° |
| C1 | N2 | C3 | C4 | 177.2° | 180.0° |
| C1 | N2 | C4 | O5 | 1.2° | 7.1° |
| C1 | N2 | C4 | C6 | 178.8° | 172.9° |
| N2 | C1 | H31 | H32 | 120.0° | 120.1° |
| N2 | C1 | H31 | H30 | 120.0° | 120.0° |
| N2 | C1 | H32 | H30 | 120.0° | 120.0° |
| C1 | N2 | C3 | H35 | 180.0° | 23.2° |
| C1 | N2 | C3 | H33 | 60.0° | 96.8° |
| C1 | N2 | C3 | H34 | 60.0° | 143.2° |
| N18 | C16 | N17 | C15 | 179.7° | 179.4° |
| N18 | C16 | N17 | C12 | 179.8° | 180.0° |
| N18 | C16 | C15 | C14 | 179.8° | 179.7° |
| N18 | C16 | C15 | H42 | 0.2° | 0.4° |
| C3 | N2 | C4 | O5 | 175.8° | 172.9° |
| C3 | N2 | C4 | C6 | 4.2° | 7.1° |
| C3 | N2 | C1 | H31 | 180.0° | 90.0° |
| C3 | N2 | C1 | H32 | 60.0° | 150.0° |
| C3 | N2 | C1 | H30 | 60.0° | 30.0° |
| N2 | C3 | H35 | H33 | 120.0° | 120.0° |
| N2 | C3 | H35 | H34 | 120.0° | 120.1° |
| N2 | C3 | H33 | H34 | 120.0° | 120.1° |
| N2 | C4 | O5 | C6 | 180.0° | 180.0° |
| N2 | C4 | C6 | C11 | 106.1° | 139.6° |
| N2 | C4 | C6 | C7 | 73.9° | 40.6° |
| C4 | N2 | C1 | H31 | 2.8° | 90.0° |
| C4 | N2 | C1 | H32 | 117.3° | 30.0° |
| C4 | N2 | C1 | H30 | 122.7° | 150.0° |
| C4 | N2 | C3 | H35 | 2.8° | 156.8° |
| C4 | N2 | C3 | H33 | 122.8° | 83.2° |
| C4 | N2 | C3 | H34 | 117.2° | 36.8° |
| N17 | C16 | C15 | C14 | 0.1° | 0.4° |
| C16 | N17 | C12 | C10 | 179.9° | 179.7° |
| C16 | N17 | C12 | C13 | 0.0° | 0.6° |
| N17 | C16 | C15 | H42 | 179.9° | 179.7° |
| C15 | C16 | N17 | C12 | 0.1° | 0.6° |
| C16 | C15 | C14 | H42 | 180.0° | 179.9° |
| C16 | C15 | C14 | C13 | 0.1° | 0.1° |
| C16 | C15 | C14 | H41 | 179.9° | 180.0° |
| N17 | C12 | C10 | C11 | 56.1° | 4.7° |
| N17 | C12 | C10 | C13 | 179.9° | 179.7° |
| N17 | C12 | C10 | C9 | 123.9° | 175.3° |
| N17 | C12 | C13 | C14 | 0.1° | 0.3° |
| N17 | C12 | C13 | H40 | 179.9° | 179.7° |
| O5 | C4 | C6 | C11 | 73.9° | 40.4° |
| O5 | C4 | C6 | C7 | 106.0° | 139.3° |
| C4 | C6 | C11 | C7 | 180.0° | 179.7° |
| C4 | C6 | C11 | C10 | 179.9° | 179.8° |
| C4 | C6 | C7 | C8 | 179.9° | 179.7° |
| C4 | C6 | C7 | H36 | 0.1° | 0.2° |
| C4 | C6 | C11 | H39 | 0.1° | 0.3° |
| C6 | C11 | C10 | H39 | 180.0° | 180.0° |
| C6 | C11 | C10 | C12 | 180.0° | 179.9° |
| C6 | C11 | C10 | C9 | 0.1° | 0.0° |
| C11 | C6 | C7 | C8 | 0.1° | 0.0° |
| C11 | C6 | C7 | H36 | 179.9° | 180.0° |
| C10 | C11 | C6 | C7 | 0.1° | 0.0° |
| C11 | C10 | C12 | C9 | 180.0° | 179.9° |
| C11 | C10 | C12 | C13 | 123.8° | 175.1° |
| C11 | C10 | C9 | C8 | 0.0° | 0.0° |
| C11 | C10 | C9 | H38 | 179.9° | 180.0° |
| C15 | C14 | C13 | C12 | 0.0° | 0.0° |
| C15 | C14 | C13 | H41 | 180.0° | 179.9° |
| C15 | C14 | C13 | H40 | 180.0° | 180.0° |
| C6 | C7 | C8 | H36 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 0.0° | 0.0° |
| C6 | C7 | C8 | H37 | 180.0° | 180.0° |
| C7 | C6 | C11 | H39 | 179.9° | 180.0° |
| C12 | C10 | C9 | C8 | 180.0° | 180.0° |
| C10 | C12 | C13 | C14 | 180.0° | 180.0° |
| C12 | C10 | C11 | H39 | 0.0° | 0.0° |
| C10 | C12 | C13 | H40 | 0.0° | 0.0° |
| C12 | C10 | C9 | H38 | 0.0° | 0.0° |
| C13 | C12 | C10 | C9 | 56.2° | 5.0° |
| C12 | C13 | C14 | H40 | 180.0° | 180.0° |
| C12 | C13 | C14 | H41 | 180.0° | 179.9° |
| C10 | C9 | C8 | C7 | 0.0° | 0.1° |
| C10 | C9 | C8 | H38 | 180.0° | 180.0° |
| C10 | C9 | C8 | H37 | 180.0° | 180.0° |
| C9 | C10 | C11 | H39 | 179.9° | 180.0° |
| C7 | C8 | C9 | H37 | 180.0° | 180.0° |
| C7 | C8 | C9 | H38 | 179.9° | 180.0° |
| C9 | C8 | C7 | H36 | 179.9° | 180.0° |
| C13 | C14 | C15 | H42 | 179.9° | 179.9° |
| H31 | C1 | H32 | H30 | 120.0° | 120.0° |
| H35 | C3 | H33 | H34 | 120.0° | 119.9° |
| H36 | C7 | C8 | H37 | 0.1° | 0.0° |
| H37 | C8 | C9 | H38 | 0.1° | 0.0° |
| H40 | C13 | C14 | H41 | 0.0° | 0.0° |
| H41 | C14 | C15 | H42 | 0.1° | 0.1° |
