O4G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C21 | doub | 1.35Å | 1.37Å | Aromatic |
| C19 | O9 | sing | 1.34Å | 1.37Å | Aromatic |
| C21 | C14 | sing | 1.40Å | 1.43Å | Aromatic |
| O9 | C3 | sing | 1.35Å | 1.38Å | Aromatic |
| C3 | C14 | doub | 1.37Å | 1.37Å | Aromatic |
| C3 | C1 | sing | 1.47Å | 1.47Å | |
| O15 | C1 | doub | 1.22Å | 1.24Å | |
| C1 | N4 | sing | 1.35Å | 1.39Å | |
| N4 | C12 | sing | 1.40Å | 1.42Å | |
| O16 | C2 | doub | 1.22Å | 1.24Å | |
| C12 | C17 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | C25 | sing | 1.39Å | 1.40Å | Aromatic |
| C17 | C11 | sing | 1.39Å | 1.42Å | Aromatic |
| C25 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C6 | sing | 1.40Å | 1.40Å | Aromatic |
| C2 | C6 | sing | 1.48Å | 1.50Å | |
| C2 | N5 | sing | 1.35Å | 1.39Å | |
| C23 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C24 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | N5 | sing | 1.40Å | 1.43Å | |
| C22 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C8 | doub | 1.40Å | 1.42Å | Aromatic |
| C10 | O18 | sing | 1.36Å | 1.38Å | |
| C10 | C7 | doub | 1.39Å | 1.42Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.41Å | Aromatic |
| O18 | C27 | sing | 1.43Å | 1.41Å | |
| C7 | O13 | sing | 1.36Å | 1.39Å | |
| C27 | C26 | sing | 1.54Å | 1.49Å | |
| O13 | C26 | sing | 1.43Å | 1.42Å | |
| C14 | H31 | sing | 1.08Å | 1.08Å | |
| C17 | H32 | sing | 1.08Å | 1.08Å | |
| C19 | H33 | sing | 1.08Å | 1.08Å | |
| C20 | H34 | sing | 1.08Å | 1.08Å | |
| C21 | H35 | sing | 1.08Å | 1.08Å | |
| C22 | H36 | sing | 1.08Å | 1.08Å | |
| C23 | H37 | sing | 1.08Å | 1.08Å | |
| C24 | H38 | sing | 1.08Å | 1.08Å | |
| C25 | H39 | sing | 1.08Å | 1.08Å | |
| C26 | H41 | sing | 1.09Å | 1.10Å | |
| C26 | H40 | sing | 1.09Å | 1.10Å | |
| C27 | H42 | sing | 1.09Å | 1.10Å | |
| C27 | H43 | sing | 1.09Å | 1.10Å | |
| C8 | H30 | sing | 1.08Å | 1.08Å | |
| N4 | H28 | sing | 0.97Å | 1.00Å | |
| N5 | H29 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | C19 | O9 | 111.0° | 108.7° |
| C19 | C21 | C14 | 106.1° | 107.1° |
| C21 | C19 | H33 | 124.5° | 125.6° |
| C19 | C21 | H35 | 126.9° | 126.4° |
| C19 | O9 | C3 | 105.9° | 109.4° |
| O9 | C19 | H33 | 124.5° | 125.6° |
| C21 | C14 | C3 | 106.2° | 106.7° |
| C21 | C14 | H31 | 126.9° | 126.7° |
| C14 | C21 | H35 | 127.0° | 126.5° |
| O9 | C3 | C14 | 110.7° | 108.1° |
| O9 | C3 | C1 | 121.2° | 125.9° |
| C14 | C3 | C1 | 128.1° | 126.0° |
| C3 | C14 | H31 | 126.9° | 126.6° |
| C3 | C1 | O15 | 121.6° | 120.0° |
| C3 | C1 | N4 | 113.2° | 120.0° |
| O15 | C1 | N4 | 125.1° | 120.0° |
| C1 | N4 | C12 | 126.5° | 120.0° |
| C1 | N4 | H28 | 116.8° | 120.0° |
| N4 | C12 | C17 | 124.4° | 120.0° |
| N4 | C12 | C25 | 114.0° | 120.0° |
| C12 | N4 | H28 | 116.8° | 120.0° |
| O16 | C2 | C6 | 122.7° | 120.0° |
| O16 | C2 | N5 | 122.5° | 120.0° |
| C17 | C12 | C25 | 121.6° | 119.9° |
| C12 | C17 | C11 | 117.2° | 119.8° |
| C12 | C17 | H32 | 121.4° | 120.1° |
| C12 | C25 | C23 | 119.7° | 120.1° |
| C12 | C25 | H39 | 120.2° | 119.9° |
| C17 | C11 | C24 | 120.8° | 119.9° |
| C17 | C11 | N5 | 122.8° | 120.0° |
| C11 | C17 | H32 | 121.4° | 120.1° |
| C25 | C23 | C24 | 120.8° | 120.1° |
| C25 | C23 | H37 | 119.6° | 119.9° |
| C23 | C25 | H39 | 120.1° | 120.0° |
| C22 | C20 | C6 | 120.9° | 120.0° |
| C20 | C22 | C10 | 118.4° | 120.3° |
| C22 | C20 | H34 | 119.5° | 120.0° |
| C20 | C22 | H36 | 120.8° | 119.9° |
| C20 | C6 | C2 | 115.6° | 120.1° |
| C20 | C6 | C8 | 121.8° | 119.8° |
| C6 | C20 | H34 | 119.5° | 120.0° |
| C6 | C2 | N5 | 114.8° | 120.0° |
| C2 | C6 | C8 | 122.4° | 120.1° |
| C2 | N5 | C11 | 122.8° | 120.0° |
| C2 | N5 | H29 | 118.6° | 120.0° |
| C23 | C24 | C11 | 119.9° | 120.1° |
| C24 | C23 | H37 | 119.6° | 119.9° |
| C23 | C24 | H38 | 120.1° | 120.0° |
| C24 | C11 | N5 | 116.3° | 120.1° |
| C11 | C24 | H38 | 120.1° | 119.9° |
| C11 | N5 | H29 | 118.6° | 120.0° |
| C22 | C10 | O18 | 117.2° | 119.2° |
| C22 | C10 | C7 | 121.6° | 120.0° |
| C10 | C22 | H36 | 120.8° | 119.8° |
| C6 | C8 | C7 | 117.1° | 119.9° |
| C6 | C8 | H30 | 121.4° | 120.1° |
| O18 | C10 | C7 | 121.2° | 120.7° |
| C10 | O18 | C27 | 108.4° | 116.7° |
| C10 | C7 | C8 | 120.1° | 120.0° |
| C10 | C7 | O13 | 120.4° | 120.7° |
| C8 | C7 | O13 | 119.5° | 119.3° |
| C7 | C8 | H30 | 121.4° | 120.0° |
| O18 | C27 | C26 | 104.5° | 108.2° |
| O18 | C27 | H42 | 110.7° | 109.7° |
| O18 | C27 | H43 | 110.7° | 109.7° |
| C7 | O13 | C26 | 110.1° | 116.7° |
| C27 | C26 | O13 | 106.0° | 108.2° |
| C27 | C26 | H41 | 110.3° | 109.7° |
| C27 | C26 | H40 | 110.3° | 109.7° |
| C26 | C27 | H42 | 110.7° | 109.7° |
| C26 | C27 | H43 | 110.7° | 109.7° |
| O13 | C26 | H41 | 110.3° | 109.8° |
| O13 | C26 | H40 | 110.3° | 109.7° |
| H41 | C26 | H40 | 109.5° | 109.7° |
| H42 | C27 | H43 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | C19 | O9 | H33 | 180.0° | 179.7° |
| C19 | C21 | C14 | H35 | 180.0° | 179.8° |
| C21 | C19 | O9 | C3 | 0.1° | 0.4° |
| C19 | C21 | C14 | C3 | 0.1° | 0.0° |
| C19 | C21 | C14 | H31 | 179.9° | 180.0° |
| O9 | C19 | C21 | C14 | 0.0° | 0.2° |
| C19 | O9 | C3 | C14 | 0.2° | 0.4° |
| C19 | O9 | C3 | C1 | 178.5° | 179.8° |
| O9 | C19 | C21 | H35 | 180.0° | 179.9° |
| C21 | C14 | C3 | O9 | 0.2° | 0.3° |
| C21 | C14 | C3 | H31 | 180.0° | 179.9° |
| C21 | C14 | C3 | C1 | 178.4° | 179.9° |
| C14 | C21 | C19 | H33 | 179.9° | 179.9° |
| O9 | C3 | C14 | C1 | 178.6° | 179.8° |
| O9 | C3 | C1 | O15 | 9.0° | 179.4° |
| O9 | C3 | C1 | N4 | 171.1° | 0.3° |
| O9 | C3 | C14 | H31 | 179.8° | 179.8° |
| C3 | O9 | C19 | H33 | 179.9° | 179.9° |
| C14 | C3 | C1 | O15 | 172.5° | 0.3° |
| C14 | C3 | C1 | N4 | 7.4° | 180.0° |
| C3 | C14 | C21 | H35 | 179.9° | 179.8° |
| C3 | C1 | O15 | N4 | 179.9° | 179.7° |
| C3 | C1 | N4 | C12 | 179.3° | 175.4° |
| C1 | C3 | C14 | H31 | 1.6° | 0.0° |
| C3 | C1 | N4 | H28 | 0.7° | 4.7° |
| O15 | C1 | N4 | C12 | 0.8° | 4.3° |
| O15 | C1 | N4 | H28 | 179.2° | 175.6° |
| C1 | N4 | C12 | H28 | 180.0° | 180.0° |
| C1 | N4 | C12 | C17 | 16.0° | 36.1° |
| C1 | N4 | C12 | C25 | 164.9° | 143.9° |
| N4 | C12 | C17 | C25 | 179.0° | 180.0° |
| N4 | C12 | C17 | C11 | 178.8° | 180.0° |
| N4 | C12 | C25 | C23 | 179.0° | 179.7° |
| N4 | C12 | C17 | H32 | 1.2° | 0.0° |
| N4 | C12 | C25 | H39 | 1.0° | 0.0° |
| O16 | C2 | C6 | C20 | 21.6° | 180.0° |
| O16 | C2 | C6 | N5 | 179.2° | 180.0° |
| O16 | C2 | N5 | C11 | 1.6° | 5.2° |
| O16 | C2 | C6 | C8 | 164.0° | 0.0° |
| O16 | C2 | N5 | H29 | 178.4° | 174.8° |
| C12 | C17 | C11 | H32 | 180.0° | 179.9° |
| C17 | C12 | C25 | C23 | 0.1° | 0.3° |
| C12 | C17 | C11 | C24 | 0.0° | 0.0° |
| C12 | C17 | C11 | N5 | 177.9° | 179.7° |
| C17 | C12 | C25 | H39 | 179.9° | 180.0° |
| C17 | C12 | N4 | H28 | 164.0° | 143.9° |
| C25 | C12 | C17 | C11 | 0.2° | 0.0° |
| C12 | C25 | C23 | H39 | 180.0° | 179.8° |
| C12 | C25 | C23 | C24 | 0.2° | 0.5° |
| C25 | C12 | C17 | H32 | 179.8° | 180.0° |
| C12 | C25 | C23 | H37 | 179.8° | 180.0° |
| C25 | C12 | N4 | H28 | 15.1° | 36.1° |
| C17 | C11 | N5 | C2 | 42.0° | 146.5° |
| C17 | C11 | C24 | C23 | 0.3° | 0.3° |
| C17 | C11 | C24 | N5 | 178.1° | 179.7° |
| C17 | C11 | C24 | H38 | 179.7° | 179.7° |
| C17 | C11 | N5 | H29 | 137.9° | 33.5° |
| C25 | C23 | C24 | H37 | 180.0° | 179.4° |
| C25 | C23 | C24 | C11 | 0.4° | 0.5° |
| C25 | C23 | C24 | H38 | 179.6° | 179.4° |
| C22 | C20 | C6 | H34 | 180.0° | 179.7° |
| C22 | C20 | C6 | C2 | 173.0° | 179.9° |
| C20 | C22 | C10 | H36 | 180.0° | 180.0° |
| C22 | C20 | C6 | C8 | 1.4° | 0.0° |
| C20 | C22 | C10 | O18 | 177.7° | 179.8° |
| C20 | C22 | C10 | C7 | 0.4° | 0.1° |
| C20 | C6 | C2 | C8 | 174.4° | 180.0° |
| C20 | C6 | C2 | N5 | 157.6° | 0.1° |
| C6 | C20 | C22 | C10 | 0.9° | 0.0° |
| C20 | C6 | C8 | C7 | 1.4° | 0.0° |
| C6 | C20 | C22 | H36 | 179.1° | 180.0° |
| C20 | C6 | C8 | H30 | 178.6° | 179.9° |
| C6 | C2 | N5 | C11 | 177.7° | 174.8° |
| C2 | C6 | C8 | C7 | 172.6° | 180.0° |
| C2 | C6 | C20 | H34 | 7.0° | 0.4° |
| C2 | C6 | C8 | H30 | 7.4° | 0.0° |
| C6 | C2 | N5 | H29 | 2.4° | 5.2° |
| C2 | N5 | C11 | C24 | 136.0° | 33.2° |
| C2 | N5 | C11 | H29 | 180.0° | 180.0° |
| N5 | C2 | C6 | C8 | 16.8° | 180.0° |
| C23 | C24 | C11 | H38 | 180.0° | 179.9° |
| C23 | C24 | C11 | N5 | 177.8° | 180.0° |
| C24 | C23 | C25 | H39 | 179.8° | 179.7° |
| C24 | C11 | C17 | H32 | 180.0° | 180.0° |
| C11 | C24 | C23 | H37 | 179.6° | 180.0° |
| C24 | C11 | N5 | H29 | 44.0° | 146.8° |
| N5 | C11 | C17 | H32 | 2.1° | 0.3° |
| N5 | C11 | C24 | H38 | 2.2° | 0.0° |
| C22 | C10 | O18 | C7 | 178.1° | 179.9° |
| C22 | C10 | C7 | C8 | 0.4° | 0.2° |
| C22 | C10 | O18 | C27 | 156.6° | 162.9° |
| C22 | C10 | C7 | O13 | 177.6° | 179.8° |
| C10 | C22 | C20 | H34 | 179.1° | 179.7° |
| C6 | C8 | C7 | C10 | 0.9° | 0.1° |
| C6 | C8 | C7 | H30 | 180.0° | 180.0° |
| C6 | C8 | C7 | O13 | 177.2° | 179.8° |
| C8 | C6 | C20 | H34 | 178.6° | 179.6° |
| O18 | C10 | C7 | C8 | 177.6° | 179.7° |
| O18 | C10 | C7 | O13 | 4.4° | 0.3° |
| C10 | O18 | C27 | C26 | 60.7° | 46.3° |
| O18 | C10 | C22 | H36 | 2.3° | 0.2° |
| C10 | O18 | C27 | H42 | 179.9° | 73.3° |
| C10 | O18 | C27 | H43 | 58.5° | 166.0° |
| C10 | C7 | C8 | O13 | 178.0° | 179.9° |
| C7 | C10 | O18 | C27 | 21.4° | 17.3° |
| C10 | C7 | O13 | C26 | 12.8° | 17.3° |
| C7 | C10 | C22 | H36 | 179.6° | 179.9° |
| C10 | C7 | C8 | H30 | 179.1° | 179.8° |
| C8 | C7 | O13 | C26 | 165.2° | 162.8° |
| O18 | C27 | C26 | H42 | 119.2° | 119.7° |
| O18 | C27 | C26 | H43 | 119.2° | 119.7° |
| O18 | C27 | C26 | O13 | 80.6° | 59.9° |
| O18 | C27 | C26 | H41 | 38.9° | 59.9° |
| O18 | C27 | C26 | H40 | 160.0° | 179.5° |
| O18 | C27 | H42 | H43 | 122.3° | 120.6° |
| C7 | O13 | C26 | C27 | 52.4° | 46.3° |
| C7 | O13 | C26 | H41 | 67.0° | 73.4° |
| C7 | O13 | C26 | H40 | 171.9° | 165.9° |
| O13 | C7 | C8 | H30 | 2.8° | 0.2° |
| C27 | C26 | O13 | H41 | 119.4° | 119.7° |
| C27 | C26 | O13 | H40 | 119.5° | 119.6° |
| C27 | C26 | H41 | H40 | 121.6° | 120.6° |
| C26 | C27 | H42 | H43 | 122.3° | 120.6° |
| O13 | C26 | H41 | H40 | 121.6° | 120.6° |
| O13 | C26 | C27 | H42 | 160.3° | 59.8° |
| O13 | C26 | C27 | H43 | 38.7° | 179.6° |
| H31 | C14 | C21 | H35 | 0.1° | 0.1° |
| H33 | C19 | C21 | H35 | 0.0° | 0.2° |
| H34 | C20 | C22 | H36 | 0.9° | 0.3° |
| H37 | C23 | C24 | H38 | 0.4° | 0.0° |
| H37 | C23 | C25 | H39 | 0.2° | 0.3° |
| H41 | C26 | C27 | H42 | 80.3° | 179.6° |
| H41 | C26 | C27 | H43 | 158.1° | 59.9° |
| H40 | C26 | C27 | H42 | 40.8° | 59.8° |
| H40 | C26 | C27 | H43 | 80.8° | 60.8° |
