O5P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C3 | doub | 1.38Å | 1.41Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | N4 | sing | 1.32Å | 1.35Å | Aromatic |
| C27 | C1 | sing | 1.51Å | 1.49Å | |
| C1 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| N4 | C5 | doub | 1.33Å | 1.35Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| C5 | C7 | sing | 1.48Å | 1.44Å | |
| C7 | C11 | doub | 1.37Å | 1.40Å | Aromatic |
| C7 | N8 | sing | 1.36Å | 1.40Å | Aromatic |
| C11 | C10 | sing | 1.41Å | 1.42Å | Aromatic |
| N8 | N9 | sing | 1.28Å | 1.34Å | Aromatic |
| C10 | N9 | doub | 1.32Å | 1.37Å | Aromatic |
| C10 | C12 | sing | 1.48Å | 1.46Å | |
| O14 | C12 | doub | 1.22Å | 1.24Å | |
| C24 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | N13 | sing | 1.35Å | 1.40Å | |
| C25 | C26 | sing | 1.38Å | 1.40Å | Aromatic |
| C23 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| N13 | C19 | sing | 1.47Å | 1.49Å | |
| N13 | C15 | sing | 1.47Å | 1.49Å | |
| C22 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.51Å | 1.50Å | |
| C19 | C20 | sing | 1.53Å | 1.58Å | |
| C19 | C18 | sing | 1.53Å | 1.59Å | |
| C15 | C16 | sing | 1.53Å | 1.60Å | |
| C16 | O17 | sing | 1.43Å | 1.39Å | |
| C18 | O17 | sing | 1.43Å | 1.39Å | |
| C2 | H28 | sing | 1.08Å | 1.08Å | |
| C3 | H29 | sing | 1.08Å | 1.08Å | |
| C11 | H32 | sing | 1.08Å | 1.08Å | |
| C15 | H33 | sing | 1.09Å | 1.10Å | |
| C15 | H34 | sing | 1.09Å | 1.10Å | |
| C16 | H35 | sing | 1.09Å | 1.10Å | |
| C16 | H36 | sing | 1.09Å | 1.10Å | |
| C18 | H38 | sing | 1.09Å | 1.10Å | |
| C18 | H37 | sing | 1.09Å | 1.10Å | |
| C19 | H39 | sing | 1.09Å | 1.10Å | |
| C20 | H40 | sing | 1.09Å | 1.10Å | |
| C20 | H41 | sing | 1.09Å | 1.10Å | |
| C22 | H42 | sing | 1.08Å | 1.08Å | |
| C23 | H43 | sing | 1.08Å | 1.08Å | |
| C24 | H44 | sing | 1.08Å | 1.08Å | |
| C25 | H45 | sing | 1.08Å | 1.08Å | |
| C26 | H46 | sing | 1.08Å | 1.08Å | |
| C27 | H49 | sing | 1.09Å | 1.10Å | |
| C27 | H47 | sing | 1.09Å | 1.10Å | |
| C27 | H48 | sing | 1.09Å | 1.10Å | |
| C6 | H30 | sing | 1.08Å | 1.08Å | |
| N8 | H31 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C2 | C1 | 117.7° | 119.4° |
| C2 | C3 | N4 | 124.0° | 120.9° |
| C3 | C2 | H28 | 121.2° | 120.3° |
| C2 | C3 | H29 | 118.0° | 119.5° |
| C2 | C1 | C27 | 120.1° | 120.8° |
| C2 | C1 | C6 | 119.9° | 118.5° |
| C1 | C2 | H28 | 121.1° | 120.3° |
| C3 | N4 | C5 | 116.3° | 121.6° |
| N4 | C3 | H29 | 118.0° | 119.6° |
| C27 | C1 | C6 | 120.0° | 120.7° |
| C1 | C27 | H49 | 109.5° | 109.5° |
| C1 | C27 | H47 | 109.5° | 109.4° |
| C1 | C27 | H48 | 109.5° | 109.5° |
| C1 | C6 | C5 | 118.0° | 119.1° |
| C1 | C6 | H30 | 121.0° | 120.5° |
| N4 | C5 | C6 | 124.1° | 120.5° |
| N4 | C5 | C7 | 116.1° | 119.7° |
| C6 | C5 | C7 | 119.8° | 119.8° |
| C5 | C6 | H30 | 121.0° | 120.5° |
| C5 | C7 | C11 | 130.3° | 126.6° |
| C5 | C7 | N8 | 122.7° | 126.6° |
| C11 | C7 | N8 | 107.0° | 106.7° |
| C7 | C11 | C10 | 104.4° | 105.5° |
| C7 | C11 | H32 | 127.8° | 127.3° |
| C7 | N8 | N9 | 111.3° | 110.1° |
| C7 | N8 | H31 | 124.3° | 125.0° |
| C11 | C10 | N9 | 110.9° | 107.3° |
| C11 | C10 | C12 | 127.7° | 126.3° |
| C10 | C11 | H32 | 127.8° | 127.2° |
| N8 | N9 | C10 | 106.3° | 110.4° |
| N9 | N8 | H31 | 124.4° | 125.0° |
| N9 | C10 | C12 | 121.2° | 126.4° |
| C10 | C12 | O14 | 119.9° | 120.0° |
| C10 | C12 | N13 | 120.3° | 120.0° |
| O14 | C12 | N13 | 119.7° | 120.0° |
| C25 | C24 | C23 | 120.0° | 120.0° |
| C24 | C25 | C26 | 119.7° | 120.0° |
| C25 | C24 | H44 | 120.0° | 120.0° |
| C24 | C25 | H45 | 120.1° | 119.9° |
| C24 | C23 | C22 | 120.2° | 120.0° |
| C24 | C23 | H43 | 119.9° | 120.0° |
| C23 | C24 | H44 | 120.0° | 120.0° |
| C12 | N13 | C19 | 126.0° | 121.0° |
| C12 | N13 | C15 | 119.6° | 121.0° |
| C25 | C26 | C21 | 119.6° | 120.0° |
| C26 | C25 | H45 | 120.2° | 120.0° |
| C25 | C26 | H46 | 120.2° | 120.0° |
| C23 | C22 | C21 | 120.1° | 120.0° |
| C23 | C22 | H42 | 120.0° | 120.0° |
| C22 | C23 | H43 | 119.9° | 120.0° |
| C26 | C21 | C22 | 120.5° | 120.0° |
| C26 | C21 | C20 | 119.6° | 120.0° |
| C21 | C26 | H46 | 120.2° | 120.0° |
| C19 | N13 | C15 | 114.2° | 118.0° |
| N13 | C19 | C20 | 106.0° | 109.6° |
| N13 | C19 | C18 | 109.3° | 108.4° |
| N13 | C19 | H39 | 110.6° | 109.7° |
| N13 | C15 | C16 | 105.3° | 108.4° |
| N13 | C15 | H33 | 110.5° | 109.7° |
| N13 | C15 | H34 | 110.5° | 109.7° |
| C22 | C21 | C20 | 120.0° | 120.0° |
| C21 | C22 | H42 | 120.0° | 120.0° |
| C21 | C20 | C19 | 110.6° | 109.5° |
| C21 | C20 | H40 | 109.2° | 109.4° |
| C21 | C20 | H41 | 109.2° | 109.4° |
| C20 | C19 | C18 | 112.3° | 109.6° |
| C20 | C19 | H39 | 109.4° | 109.7° |
| C19 | C20 | H40 | 109.2° | 109.6° |
| C19 | C20 | H41 | 109.2° | 109.4° |
| C19 | C18 | O17 | 109.6° | 109.2° |
| C19 | C18 | H38 | 109.4° | 109.5° |
| C19 | C18 | H37 | 109.5° | 109.6° |
| C18 | C19 | H39 | 109.3° | 109.7° |
| C15 | C16 | O17 | 104.9° | 109.2° |
| C16 | C15 | H33 | 110.5° | 109.7° |
| C16 | C15 | H34 | 110.5° | 109.7° |
| C15 | C16 | H35 | 110.6° | 109.5° |
| C15 | C16 | H36 | 110.6° | 109.6° |
| C16 | O17 | C18 | 102.3° | 114.1° |
| O17 | C16 | H35 | 110.6° | 109.5° |
| O17 | C16 | H36 | 110.6° | 109.5° |
| O17 | C18 | H38 | 109.4° | 109.5° |
| O17 | C18 | H37 | 109.4° | 109.5° |
| H33 | C15 | H34 | 109.5° | 109.7° |
| H35 | C16 | H36 | 109.5° | 109.5° |
| H38 | C18 | H37 | 109.5° | 109.5° |
| H40 | C20 | H41 | 109.5° | 109.5° |
| H49 | C27 | H47 | 109.4° | 109.5° |
| H49 | C27 | H48 | 109.5° | 109.5° |
| H47 | C27 | H48 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C2 | C1 | H28 | 180.0° | 180.0° |
| C2 | C3 | N4 | H29 | 180.0° | 179.9° |
| C3 | C2 | C1 | C27 | 179.1° | 179.7° |
| C3 | C2 | C1 | C6 | 0.4° | 0.0° |
| C2 | C3 | N4 | C5 | 0.0° | 0.1° |
| C1 | C2 | C3 | N4 | 0.5° | 0.0° |
| C2 | C1 | C27 | C6 | 179.5° | 179.7° |
| C2 | C1 | C6 | C5 | 0.2° | 0.0° |
| C1 | C2 | C3 | H29 | 179.4° | 179.9° |
| C2 | C1 | C27 | H49 | 89.7° | 90.2° |
| C2 | C1 | C27 | H47 | 150.3° | 29.7° |
| C2 | C1 | C27 | H48 | 30.3° | 149.7° |
| C2 | C1 | C6 | H30 | 179.8° | 179.9° |
| C3 | N4 | C5 | C6 | 0.6° | 0.0° |
| C3 | N4 | C5 | C7 | 178.0° | 179.9° |
| N4 | C3 | C2 | H28 | 179.5° | 179.9° |
| C27 | C1 | C6 | C5 | 179.6° | 179.7° |
| C27 | C1 | C2 | H28 | 0.9° | 0.2° |
| C1 | C27 | H49 | H47 | 120.0° | 119.9° |
| C1 | C27 | H49 | H48 | 120.0° | 120.0° |
| C1 | C27 | H47 | H48 | 120.0° | 120.0° |
| C27 | C1 | C6 | H30 | 0.4° | 0.3° |
| C1 | C6 | C5 | N4 | 0.7° | 0.0° |
| C1 | C6 | C5 | H30 | 180.0° | 180.0° |
| C1 | C6 | C5 | C7 | 177.8° | 180.0° |
| C6 | C1 | C2 | H28 | 179.6° | 180.0° |
| C6 | C1 | C27 | H49 | 89.8° | 90.0° |
| C6 | C1 | C27 | H47 | 30.2° | 150.0° |
| C6 | C1 | C27 | H48 | 150.2° | 30.0° |
| N4 | C5 | C6 | C7 | 178.6° | 180.0° |
| N4 | C5 | C7 | C11 | 12.9° | 0.0° |
| N4 | C5 | C7 | N8 | 167.7° | 179.9° |
| C5 | N4 | C3 | H29 | 180.0° | 179.9° |
| N4 | C5 | C6 | H30 | 179.3° | 179.9° |
| C6 | C5 | C7 | C11 | 165.8° | 180.0° |
| C6 | C5 | C7 | N8 | 13.6° | 0.1° |
| C5 | C7 | C11 | N8 | 179.5° | 179.9° |
| C5 | C7 | C11 | C10 | 179.6° | 180.0° |
| C5 | C7 | N8 | N9 | 179.3° | 179.7° |
| C5 | C7 | C11 | H32 | 0.4° | 0.4° |
| C7 | C5 | C6 | H30 | 2.1° | 0.0° |
| C5 | C7 | N8 | H31 | 0.7° | 0.1° |
| C7 | C11 | C10 | H32 | 180.0° | 179.6° |
| C11 | C7 | N8 | N9 | 0.3° | 0.2° |
| C7 | C11 | C10 | N9 | 0.5° | 0.3° |
| C7 | C11 | C10 | C12 | 174.5° | 179.7° |
| C11 | C7 | N8 | H31 | 179.7° | 180.0° |
| N8 | C7 | C11 | C10 | 0.1° | 0.1° |
| C7 | N8 | N9 | H31 | 180.0° | 179.8° |
| C7 | N8 | N9 | C10 | 0.5° | 0.4° |
| N8 | C7 | C11 | H32 | 179.9° | 179.7° |
| C11 | C10 | N9 | N8 | 0.6° | 0.5° |
| C11 | C10 | N9 | C12 | 175.3° | 180.0° |
| C11 | C10 | C12 | O14 | 38.5° | 7.1° |
| C11 | C10 | C12 | N13 | 138.3° | 172.9° |
| N8 | N9 | C10 | C12 | 174.7° | 179.6° |
| N9 | C10 | C12 | O14 | 136.0° | 173.0° |
| N9 | C10 | C12 | N13 | 47.2° | 7.1° |
| N9 | C10 | C11 | H32 | 179.5° | 180.0° |
| C10 | N9 | N8 | H31 | 179.5° | 179.8° |
| C10 | C12 | O14 | N13 | 176.8° | 180.0° |
| C10 | C12 | N13 | C19 | 9.9° | 175.6° |
| C10 | C12 | N13 | C15 | 175.8° | 4.4° |
| C12 | C10 | C11 | H32 | 5.5° | 0.1° |
| O14 | C12 | N13 | C19 | 166.9° | 4.4° |
| O14 | C12 | N13 | C15 | 7.5° | 175.6° |
| C25 | C24 | C23 | H44 | 180.0° | 179.6° |
| C24 | C25 | C26 | H45 | 180.0° | 179.7° |
| C25 | C24 | C23 | C22 | 0.2° | 0.1° |
| C24 | C25 | C26 | C21 | 0.2° | 0.5° |
| C25 | C24 | C23 | H43 | 179.8° | 179.9° |
| C24 | C25 | C26 | H46 | 179.8° | 179.9° |
| C23 | C24 | C25 | C26 | 0.2° | 0.3° |
| C24 | C23 | C22 | H43 | 180.0° | 180.0° |
| C24 | C23 | C22 | C21 | 0.0° | 0.0° |
| C24 | C23 | C22 | H42 | 180.0° | 180.0° |
| C23 | C24 | C25 | H45 | 179.7° | 180.0° |
| C12 | N13 | C19 | C15 | 174.6° | 180.0° |
| C12 | N13 | C19 | C20 | 96.0° | 9.8° |
| C12 | N13 | C19 | C18 | 142.8° | 129.4° |
| C12 | N13 | C15 | C16 | 135.6° | 129.5° |
| C12 | N13 | C15 | H33 | 16.3° | 9.7° |
| C12 | N13 | C15 | H34 | 105.0° | 110.8° |
| C12 | N13 | C19 | H39 | 22.4° | 110.8° |
| C25 | C26 | C21 | H46 | 180.0° | 179.5° |
| C25 | C26 | C21 | C22 | 0.0° | 0.5° |
| C25 | C26 | C21 | C20 | 179.7° | 179.7° |
| C26 | C25 | C24 | H44 | 179.7° | 179.9° |
| C23 | C22 | C21 | C26 | 0.0° | 0.3° |
| C23 | C22 | C21 | H42 | 180.0° | 179.9° |
| C23 | C22 | C21 | C20 | 179.7° | 179.9° |
| C22 | C23 | C24 | H44 | 179.8° | 179.7° |
| C26 | C21 | C22 | C20 | 179.7° | 179.8° |
| C26 | C21 | C20 | C19 | 75.2° | 92.4° |
| C26 | C21 | C20 | H40 | 164.7° | 147.5° |
| C26 | C21 | C20 | H41 | 45.0° | 27.5° |
| C26 | C21 | C22 | H42 | 180.0° | 179.8° |
| C21 | C26 | C25 | H45 | 179.8° | 179.8° |
| N13 | C19 | C20 | C21 | 64.2° | 177.4° |
| N13 | C19 | C20 | C18 | 119.3° | 118.9° |
| N13 | C19 | C20 | H39 | 119.2° | 120.6° |
| N13 | C19 | C18 | H39 | 121.1° | 119.8° |
| C19 | N13 | C15 | C16 | 49.4° | 50.5° |
| N13 | C19 | C18 | O17 | 53.4° | 52.4° |
| C19 | N13 | C15 | H33 | 168.7° | 170.2° |
| C19 | N13 | C15 | H34 | 69.9° | 69.2° |
| N13 | C19 | C18 | H38 | 173.4° | 67.6° |
| N13 | C19 | C18 | H37 | 66.6° | 172.3° |
| N13 | C19 | C20 | H40 | 56.0° | 57.4° |
| N13 | C19 | C20 | H41 | 175.7° | 62.7° |
| C15 | N13 | C19 | C20 | 78.6° | 170.2° |
| C15 | N13 | C19 | C18 | 42.6° | 50.6° |
| N13 | C15 | C16 | H33 | 119.3° | 119.7° |
| N13 | C15 | C16 | H34 | 119.3° | 119.7° |
| N13 | C15 | C16 | O17 | 68.6° | 52.3° |
| N13 | C15 | H33 | H34 | 121.9° | 120.5° |
| N13 | C15 | C16 | H35 | 50.7° | 172.2° |
| N13 | C15 | C16 | H36 | 172.2° | 67.7° |
| C15 | N13 | C19 | H39 | 163.0° | 69.2° |
| C22 | C21 | C20 | C19 | 104.6° | 87.8° |
| C22 | C21 | C20 | H40 | 15.6° | 32.3° |
| C22 | C21 | C20 | H41 | 135.3° | 152.3° |
| C21 | C22 | C23 | H43 | 180.0° | 180.0° |
| C22 | C21 | C26 | H46 | 180.0° | 180.0° |
| C21 | C20 | C19 | H40 | 120.2° | 120.0° |
| C21 | C20 | C19 | H41 | 120.1° | 119.9° |
| C21 | C20 | C19 | C18 | 176.6° | 58.5° |
| C21 | C20 | C19 | H39 | 55.0° | 62.0° |
| C21 | C20 | H40 | H41 | 119.5° | 119.9° |
| C20 | C21 | C22 | H42 | 0.2° | 0.0° |
| C20 | C21 | C26 | H46 | 0.3° | 0.2° |
| C20 | C19 | C18 | H39 | 121.6° | 120.5° |
| C20 | C19 | C18 | O17 | 63.9° | 172.0° |
| C20 | C19 | C18 | H38 | 56.1° | 52.1° |
| C20 | C19 | C18 | H37 | 176.1° | 68.1° |
| C19 | C20 | H40 | H41 | 119.5° | 120.0° |
| C19 | C18 | O17 | C16 | 73.7° | 62.6° |
| C19 | C18 | O17 | H38 | 120.0° | 119.9° |
| C19 | C18 | O17 | H37 | 120.0° | 120.0° |
| C19 | C18 | H38 | H37 | 119.9° | 120.2° |
| C18 | C19 | C20 | H40 | 63.2° | 61.5° |
| C18 | C19 | C20 | H41 | 56.4° | 178.5° |
| C15 | C16 | O17 | H35 | 119.3° | 119.9° |
| C15 | C16 | O17 | H36 | 119.3° | 120.0° |
| C15 | C16 | O17 | C18 | 81.3° | 62.6° |
| C16 | C15 | H33 | H34 | 121.9° | 120.6° |
| C15 | C16 | H35 | H36 | 122.1° | 120.1° |
| O17 | C16 | C15 | H33 | 172.1° | 172.0° |
| O17 | C16 | C15 | H34 | 50.7° | 67.4° |
| O17 | C16 | H35 | H36 | 122.1° | 120.1° |
| C16 | O17 | C18 | H38 | 166.3° | 57.3° |
| C16 | O17 | C18 | H37 | 46.3° | 177.4° |
| C18 | O17 | C16 | H35 | 37.9° | 177.5° |
| C18 | O17 | C16 | H36 | 159.4° | 57.4° |
| O17 | C18 | H38 | H37 | 119.9° | 120.1° |
| O17 | C18 | C19 | H39 | 174.5° | 67.4° |
| H28 | C2 | C3 | H29 | 0.5° | 0.0° |
| H33 | C15 | C16 | H35 | 68.7° | 68.1° |
| H33 | C15 | C16 | H36 | 52.8° | 52.0° |
| H34 | C15 | C16 | H35 | 170.0° | 52.5° |
| H34 | C15 | C16 | H36 | 68.5° | 172.6° |
| H38 | C18 | C19 | H39 | 65.5° | 172.6° |
| H37 | C18 | C19 | H39 | 54.5° | 52.5° |
| H39 | C19 | C20 | H40 | 175.2° | 178.0° |
| H39 | C19 | C20 | H41 | 65.1° | 57.9° |
| H42 | C22 | C23 | H43 | 0.0° | 0.0° |
| H43 | C23 | C24 | H44 | 0.2° | 0.3° |
| H44 | C24 | C25 | H45 | 0.3° | 0.4° |
| H45 | C25 | C26 | H46 | 0.2° | 0.3° |
| H49 | C27 | H47 | H48 | 120.0° | 120.1° |
