O4P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | O19 | sing | 1.43Å | 1.51Å | |
| O19 | C18 | sing | 1.36Å | 1.45Å | |
| C24 | C18 | doub | 1.39Å | 1.41Å | Aromatic |
| C24 | C28 | sing | 1.38Å | 1.43Å | Aromatic |
| C18 | C16 | sing | 1.39Å | 1.47Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | O11 | sing | 1.36Å | 1.38Å | |
| C16 | C23 | doub | 1.39Å | 1.44Å | Aromatic |
| C29 | C23 | sing | 1.38Å | 1.37Å | Aromatic |
| O11 | C12 | sing | 1.43Å | 1.42Å | |
| O15 | C8 | doub | 1.21Å | 1.23Å | |
| C8 | C12 | sing | 1.51Å | 1.55Å | |
| C8 | N5 | sing | 1.35Å | 1.40Å | |
| S9 | C14 | sing | 1.76Å | 1.69Å | Aromatic |
| S9 | C7 | sing | 1.76Å | 1.73Å | Aromatic |
| C21 | C26 | doub | 1.37Å | 1.39Å | Aromatic |
| C21 | C4 | sing | 1.40Å | 1.40Å | Aromatic |
| C2 | N5 | sing | 1.47Å | 1.52Å | |
| C2 | C7 | sing | 1.51Å | 1.51Å | |
| C2 | C1 | sing | 1.51Å | 1.50Å | |
| N5 | C20 | sing | 1.46Å | 1.49Å | |
| C14 | C17 | doub | 1.33Å | 1.35Å | Aromatic |
| C26 | C27 | sing | 1.39Å | 1.41Å | Aromatic |
| C7 | C13 | doub | 1.33Å | 1.36Å | Aromatic |
| C4 | C1 | sing | 1.47Å | 1.46Å | Aromatic |
| C4 | C10 | doub | 1.41Å | 1.42Å | Aromatic |
| C1 | C3 | doub | 1.34Å | 1.39Å | Aromatic |
| C27 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C13 | sing | 1.38Å | 1.43Å | Aromatic |
| C10 | C22 | sing | 1.39Å | 1.41Å | Aromatic |
| C10 | N6 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | N6 | sing | 1.37Å | 1.40Å | Aromatic |
| C2 | H30 | sing | 1.09Å | 1.10Å | |
| C3 | H31 | sing | 1.08Å | 1.08Å | |
| C12 | H33 | sing | 1.09Å | 1.10Å | |
| C12 | H34 | sing | 1.09Å | 1.10Å | |
| C13 | H35 | sing | 1.08Å | 1.08Å | |
| C14 | H36 | sing | 1.08Å | 1.08Å | |
| C17 | H37 | sing | 1.08Å | 1.08Å | |
| C20 | H39 | sing | 1.09Å | 1.10Å | |
| C20 | H38 | sing | 1.09Å | 1.10Å | |
| C20 | H40 | sing | 1.09Å | 1.10Å | |
| C21 | H41 | sing | 1.08Å | 1.08Å | |
| C22 | H42 | sing | 1.08Å | 1.08Å | |
| C23 | H43 | sing | 1.08Å | 1.08Å | |
| C24 | H44 | sing | 1.08Å | 1.08Å | |
| C25 | H47 | sing | 1.09Å | 1.10Å | |
| C25 | H45 | sing | 1.09Å | 1.10Å | |
| C25 | H46 | sing | 1.09Å | 1.10Å | |
| C26 | H48 | sing | 1.08Å | 1.08Å | |
| C27 | H49 | sing | 1.08Å | 1.08Å | |
| C28 | H50 | sing | 1.08Å | 1.08Å | |
| C29 | H51 | sing | 1.08Å | 1.08Å | |
| N6 | H32 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | O19 | C18 | 123.9° | 117.0° |
| O19 | C25 | H47 | 109.5° | 109.4° |
| O19 | C25 | H45 | 109.5° | 109.5° |
| O19 | C25 | H46 | 109.5° | 109.5° |
| O19 | C18 | C24 | 122.9° | 120.1° |
| O19 | C18 | C16 | 122.0° | 120.1° |
| C18 | C24 | C28 | 120.9° | 120.0° |
| C24 | C18 | C16 | 115.0° | 119.8° |
| C18 | C24 | H44 | 119.5° | 120.0° |
| C24 | C28 | C29 | 123.2° | 120.1° |
| C28 | C24 | H44 | 119.5° | 120.0° |
| C24 | C28 | H50 | 118.4° | 119.9° |
| C18 | C16 | O11 | 119.1° | 120.1° |
| C18 | C16 | C23 | 121.9° | 119.9° |
| C28 | C29 | C23 | 118.5° | 120.2° |
| C29 | C28 | H50 | 118.4° | 120.0° |
| C28 | C29 | H51 | 120.8° | 119.9° |
| O11 | C16 | C23 | 119.0° | 120.1° |
| C16 | O11 | C12 | 116.7° | 117.0° |
| C16 | C23 | C29 | 120.4° | 120.0° |
| C16 | C23 | H43 | 119.8° | 120.0° |
| C29 | C23 | H43 | 119.8° | 120.0° |
| C23 | C29 | H51 | 120.7° | 119.9° |
| O11 | C12 | C8 | 107.2° | 109.5° |
| O11 | C12 | H33 | 110.0° | 109.4° |
| O11 | C12 | H34 | 110.0° | 109.5° |
| O15 | C8 | C12 | 118.4° | 120.0° |
| O15 | C8 | N5 | 121.7° | 120.0° |
| C12 | C8 | N5 | 119.9° | 120.0° |
| C8 | C12 | H33 | 110.0° | 109.5° |
| C8 | C12 | H34 | 110.0° | 109.5° |
| C8 | N5 | C2 | 120.9° | 120.0° |
| C8 | N5 | C20 | 121.2° | 120.0° |
| C14 | S9 | C7 | 92.0° | 91.0° |
| S9 | C14 | C17 | 112.5° | 109.6° |
| S9 | C14 | H36 | 123.8° | 125.2° |
| S9 | C7 | C2 | 122.3° | 125.2° |
| S9 | C7 | C13 | 111.0° | 109.6° |
| C26 | C21 | C4 | 118.9° | 119.8° |
| C21 | C26 | C27 | 121.5° | 120.5° |
| C26 | C21 | H41 | 120.6° | 120.1° |
| C21 | C26 | H48 | 119.3° | 119.8° |
| C21 | C4 | C1 | 134.5° | 134.1° |
| C21 | C4 | C10 | 118.6° | 119.9° |
| C4 | C21 | H41 | 120.6° | 120.1° |
| N5 | C2 | C7 | 108.2° | 109.5° |
| N5 | C2 | C1 | 111.0° | 109.5° |
| C2 | N5 | C20 | 117.8° | 120.0° |
| N5 | C2 | H30 | 107.0° | 109.5° |
| C7 | C2 | C1 | 116.0° | 109.5° |
| C2 | C7 | C13 | 126.6° | 125.2° |
| C7 | C2 | H30 | 107.1° | 109.4° |
| C2 | C1 | C4 | 123.9° | 126.4° |
| C2 | C1 | C3 | 129.1° | 126.5° |
| C1 | C2 | H30 | 107.2° | 109.5° |
| N5 | C20 | H39 | 109.5° | 109.5° |
| N5 | C20 | H38 | 109.5° | 109.5° |
| N5 | C20 | H40 | 109.5° | 109.4° |
| C14 | C17 | C13 | 112.4° | 114.9° |
| C17 | C14 | H36 | 123.8° | 125.2° |
| C14 | C17 | H37 | 123.8° | 122.6° |
| C26 | C27 | C22 | 121.1° | 120.7° |
| C27 | C26 | H48 | 119.2° | 119.7° |
| C26 | C27 | H49 | 119.5° | 119.7° |
| C7 | C13 | C17 | 112.1° | 114.9° |
| C7 | C13 | H35 | 123.9° | 122.6° |
| C1 | C4 | C10 | 106.8° | 106.0° |
| C4 | C1 | C3 | 107.1° | 107.0° |
| C4 | C10 | C22 | 122.6° | 119.3° |
| C4 | C10 | N6 | 107.9° | 107.2° |
| C1 | C3 | N6 | 109.2° | 109.9° |
| C1 | C3 | H31 | 125.4° | 125.1° |
| C27 | C22 | C10 | 117.3° | 119.8° |
| C27 | C22 | H42 | 121.3° | 120.1° |
| C22 | C27 | H49 | 119.4° | 119.7° |
| C17 | C13 | H35 | 124.0° | 122.5° |
| C13 | C17 | H37 | 123.8° | 122.5° |
| C22 | C10 | N6 | 129.5° | 133.5° |
| C10 | C22 | H42 | 121.4° | 120.1° |
| C10 | N6 | C3 | 109.0° | 109.9° |
| C10 | N6 | H32 | 125.5° | 125.0° |
| N6 | C3 | H31 | 125.4° | 125.0° |
| C3 | N6 | H32 | 125.5° | 125.1° |
| H33 | C12 | H34 | 109.5° | 109.4° |
| H39 | C20 | H38 | 109.5° | 109.5° |
| H39 | C20 | H40 | 109.4° | 109.5° |
| H38 | C20 | H40 | 109.5° | 109.4° |
| H47 | C25 | H45 | 109.5° | 109.5° |
| H47 | C25 | H46 | 109.5° | 109.5° |
| H45 | C25 | H46 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | O19 | C18 | C24 | 23.1° | 0.0° |
| C25 | O19 | C18 | C16 | 162.4° | 180.0° |
| O19 | C25 | H47 | H45 | 120.0° | 120.0° |
| O19 | C25 | H47 | H46 | 120.0° | 120.1° |
| O19 | C25 | H45 | H46 | 120.0° | 120.1° |
| O19 | C18 | C24 | C16 | 174.8° | 180.0° |
| O19 | C18 | C24 | C28 | 172.8° | 180.0° |
| O19 | C18 | C16 | O11 | 10.9° | 0.0° |
| O19 | C18 | C16 | C23 | 172.0° | 179.7° |
| O19 | C18 | C24 | H44 | 7.3° | 0.0° |
| C18 | O19 | C25 | H47 | 180.0° | 180.0° |
| C18 | O19 | C25 | H45 | 60.0° | 60.0° |
| C18 | O19 | C25 | H46 | 60.0° | 60.0° |
| C18 | C24 | C28 | H44 | 180.0° | 180.0° |
| C18 | C24 | C28 | C29 | 0.1° | 0.2° |
| C24 | C18 | C16 | O11 | 174.3° | 180.0° |
| C24 | C18 | C16 | C23 | 2.9° | 0.3° |
| C18 | C24 | C28 | H50 | 179.9° | 180.0° |
| C28 | C24 | C18 | C16 | 2.1° | 0.0° |
| C24 | C28 | C29 | H50 | 180.0° | 179.8° |
| C24 | C28 | C29 | C23 | 1.2° | 0.2° |
| C24 | C28 | C29 | H51 | 178.8° | 180.0° |
| C18 | C16 | O11 | C23 | 177.3° | 179.7° |
| C18 | C16 | C23 | C29 | 1.8° | 0.3° |
| C18 | C16 | O11 | C12 | 160.7° | 179.8° |
| C18 | C16 | C23 | H43 | 178.2° | 179.7° |
| C16 | C18 | C24 | H44 | 177.9° | 180.0° |
| C28 | C29 | C23 | C16 | 0.3° | 0.0° |
| C28 | C29 | C23 | H51 | 180.0° | 179.8° |
| C28 | C29 | C23 | H43 | 179.6° | 180.0° |
| C29 | C28 | C24 | H44 | 179.9° | 179.7° |
| O11 | C16 | C23 | C29 | 175.4° | 180.0° |
| C16 | O11 | C12 | C8 | 72.9° | 180.0° |
| C16 | O11 | C12 | H33 | 167.4° | 60.0° |
| C16 | O11 | C12 | H34 | 46.7° | 60.0° |
| O11 | C16 | C23 | H43 | 4.6° | 0.0° |
| C16 | C23 | C29 | H43 | 180.0° | 180.0° |
| C23 | C16 | O11 | C12 | 22.0° | 0.0° |
| C16 | C23 | C29 | H51 | 179.7° | 179.8° |
| C23 | C29 | C28 | H50 | 178.8° | 180.0° |
| O11 | C12 | C8 | O15 | 14.4° | 0.0° |
| O11 | C12 | C8 | H33 | 119.6° | 120.0° |
| O11 | C12 | C8 | H34 | 119.7° | 120.0° |
| O11 | C12 | C8 | N5 | 167.1° | 180.0° |
| O11 | C12 | H33 | H34 | 121.0° | 120.0° |
| O15 | C8 | C12 | N5 | 178.6° | 179.9° |
| O15 | C8 | N5 | C2 | 3.0° | 0.0° |
| O15 | C8 | N5 | C20 | 173.9° | 180.0° |
| O15 | C8 | C12 | H33 | 105.3° | 119.9° |
| O15 | C8 | C12 | H34 | 134.0° | 120.1° |
| C12 | C8 | N5 | C2 | 178.5° | 180.0° |
| C12 | C8 | N5 | C20 | 4.6° | 0.0° |
| C8 | C12 | H33 | H34 | 121.1° | 120.0° |
| C8 | N5 | C2 | C20 | 177.0° | 180.0° |
| C8 | N5 | C2 | C7 | 97.0° | 113.9° |
| C8 | N5 | C2 | C1 | 134.7° | 126.1° |
| C8 | N5 | C2 | H30 | 18.0° | 6.0° |
| N5 | C8 | C12 | H33 | 73.3° | 60.0° |
| N5 | C8 | C12 | H34 | 47.4° | 60.0° |
| C8 | N5 | C20 | H39 | 180.0° | 84.8° |
| C8 | N5 | C20 | H38 | 60.0° | 35.3° |
| C8 | N5 | C20 | H40 | 60.0° | 155.2° |
| C14 | S9 | C7 | C2 | 177.2° | 179.9° |
| S9 | C14 | C17 | H36 | 180.0° | 179.8° |
| C14 | S9 | C7 | C13 | 0.4° | 0.1° |
| S9 | C14 | C17 | C13 | 0.1° | 0.1° |
| S9 | C14 | C17 | H37 | 179.9° | 179.9° |
| S9 | C7 | C2 | N5 | 98.2° | 40.0° |
| S9 | C7 | C2 | C13 | 177.2° | 180.0° |
| S9 | C7 | C2 | C1 | 136.3° | 80.0° |
| C7 | S9 | C14 | C17 | 0.3° | 0.0° |
| S9 | C7 | C13 | C17 | 0.4° | 0.2° |
| S9 | C7 | C2 | H30 | 16.7° | 160.0° |
| S9 | C7 | C13 | H35 | 179.6° | 180.0° |
| C7 | S9 | C14 | H36 | 179.7° | 179.9° |
| C26 | C21 | C4 | H41 | 180.0° | 180.0° |
| C21 | C26 | C27 | H48 | 180.0° | 180.0° |
| C26 | C21 | C4 | C1 | 179.8° | 180.0° |
| C26 | C21 | C4 | C10 | 0.2° | 0.0° |
| C21 | C26 | C27 | C22 | 0.3° | 0.0° |
| C21 | C26 | C27 | H49 | 179.7° | 180.0° |
| C21 | C4 | C1 | C2 | 1.2° | 0.3° |
| C4 | C21 | C26 | C27 | 0.2° | 0.0° |
| C21 | C4 | C1 | C10 | 180.0° | 180.0° |
| C21 | C4 | C1 | C3 | 179.8° | 180.0° |
| C21 | C4 | C10 | C22 | 0.3° | 0.1° |
| C21 | C4 | C10 | N6 | 179.7° | 179.7° |
| C4 | C21 | C26 | H48 | 179.8° | 180.0° |
| N5 | C2 | C7 | C1 | 125.4° | 120.0° |
| N5 | C2 | C7 | H30 | 115.0° | 120.0° |
| N5 | C2 | C1 | H30 | 116.5° | 120.1° |
| N5 | C2 | C7 | C13 | 79.0° | 140.0° |
| N5 | C2 | C1 | C4 | 57.7° | 75.7° |
| N5 | C2 | C1 | C3 | 123.5° | 104.0° |
| C2 | N5 | C20 | H39 | 3.0° | 95.2° |
| C2 | N5 | C20 | H38 | 117.0° | 144.8° |
| C2 | N5 | C20 | H40 | 123.0° | 24.8° |
| C7 | C2 | C1 | H30 | 119.5° | 119.9° |
| C7 | C2 | N5 | C20 | 80.0° | 66.1° |
| C7 | C2 | C1 | C4 | 178.4° | 164.3° |
| C7 | C2 | C1 | C3 | 0.4° | 16.0° |
| C2 | C7 | C13 | C17 | 177.1° | 179.8° |
| C2 | C7 | C13 | H35 | 2.9° | 0.0° |
| C1 | C2 | N5 | C20 | 48.3° | 53.9° |
| C1 | C2 | C7 | C13 | 46.4° | 100.0° |
| C2 | C1 | C4 | C3 | 179.0° | 179.7° |
| C2 | C1 | C4 | C10 | 178.8° | 179.7° |
| C2 | C1 | C3 | N6 | 178.9° | 180.0° |
| C2 | C1 | C3 | H31 | 1.1° | 0.0° |
| C20 | N5 | C2 | H30 | 165.0° | 174.0° |
| N5 | C20 | H39 | H38 | 120.0° | 120.0° |
| N5 | C20 | H39 | H40 | 120.0° | 120.0° |
| N5 | C20 | H38 | H40 | 120.0° | 119.9° |
| C14 | C17 | C13 | C7 | 0.2° | 0.3° |
| C14 | C17 | C13 | H37 | 180.0° | 179.9° |
| C14 | C17 | C13 | H35 | 179.8° | 180.0° |
| C26 | C27 | C22 | H49 | 180.0° | 179.9° |
| C26 | C27 | C22 | C10 | 0.1° | 0.1° |
| C27 | C26 | C21 | H41 | 179.8° | 180.0° |
| C26 | C27 | C22 | H42 | 179.9° | 180.0° |
| C7 | C13 | C17 | H35 | 180.0° | 179.8° |
| C13 | C7 | C2 | H30 | 166.1° | 20.0° |
| C7 | C13 | C17 | H37 | 179.8° | 179.8° |
| C1 | C4 | C10 | C22 | 179.6° | 180.0° |
| C1 | C4 | C10 | N6 | 0.3° | 0.3° |
| C4 | C1 | C3 | N6 | 0.1° | 0.2° |
| C4 | C1 | C2 | H30 | 58.8° | 44.4° |
| C4 | C1 | C3 | H31 | 179.9° | 179.7° |
| C1 | C4 | C21 | H41 | 0.2° | 0.0° |
| C10 | C4 | C1 | C3 | 0.2° | 0.0° |
| C4 | C10 | C22 | C27 | 0.2° | 0.1° |
| C4 | C10 | C22 | N6 | 179.9° | 179.6° |
| C4 | C10 | N6 | C3 | 0.3° | 0.4° |
| C10 | C4 | C21 | H41 | 179.9° | 180.0° |
| C4 | C10 | C22 | H42 | 179.8° | 180.0° |
| C4 | C10 | N6 | H32 | 179.7° | 180.0° |
| C1 | C3 | N6 | C10 | 0.1° | 0.4° |
| C1 | C3 | N6 | H31 | 180.0° | 180.0° |
| C3 | C1 | C2 | H30 | 120.0° | 135.9° |
| C1 | C3 | N6 | H32 | 179.9° | 180.0° |
| C27 | C22 | C10 | H42 | 180.0° | 179.9° |
| C27 | C22 | C10 | N6 | 179.9° | 179.7° |
| C22 | C27 | C26 | H48 | 179.7° | 180.0° |
| C13 | C17 | C14 | H36 | 179.9° | 180.0° |
| C22 | C10 | N6 | C3 | 179.6° | 180.0° |
| C10 | C22 | C27 | H49 | 179.9° | 180.0° |
| C22 | C10 | N6 | H32 | 0.3° | 0.4° |
| C10 | N6 | C3 | H32 | 180.0° | 179.6° |
| C10 | N6 | C3 | H31 | 179.9° | 179.6° |
| N6 | C10 | C22 | H42 | 0.2° | 0.5° |
| H31 | C3 | N6 | H32 | 0.1° | 0.0° |
| H35 | C13 | C17 | H37 | 0.2° | 0.1° |
| H36 | C14 | C17 | H37 | 0.1° | 0.1° |
| H39 | C20 | H38 | H40 | 120.0° | 120.0° |
| H41 | C21 | C26 | H48 | 0.2° | 0.0° |
| H42 | C22 | C27 | H49 | 0.1° | 0.1° |
| H43 | C23 | C29 | H51 | 0.3° | 0.2° |
| H44 | C24 | C28 | H50 | 0.1° | 0.0° |
| H47 | C25 | H45 | H46 | 120.0° | 120.0° |
| H48 | C26 | C27 | H49 | 0.3° | 0.0° |
| H50 | C28 | C29 | H51 | 1.2° | 0.2° |
