O5M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C11 | doub | 1.38Å | 1.42Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.38Å | Aromatic |
| C11 | N10 | sing | 1.32Å | 1.34Å | Aromatic |
| C15 | C13 | sing | 1.51Å | 1.49Å | |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| N10 | C9 | doub | 1.33Å | 1.35Å | Aromatic |
| C14 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | C5 | sing | 1.48Å | 1.47Å | |
| C5 | C4 | sing | 1.41Å | 1.41Å | Aromatic |
| C5 | N1 | doub | 1.32Å | 1.35Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.41Å | Aromatic |
| N1 | N2 | sing | 1.28Å | 1.34Å | Aromatic |
| N2 | C3 | sing | 1.37Å | 1.38Å | Aromatic |
| C3 | C6 | sing | 1.47Å | 1.46Å | |
| O8 | C6 | doub | 1.22Å | 1.25Å | |
| C6 | N7 | sing | 1.35Å | 1.40Å | |
| C24 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| N7 | C16 | sing | 1.47Å | 1.46Å | |
| N7 | C20 | sing | 1.47Å | 1.48Å | |
| C26 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.53Å | 1.60Å | |
| C20 | C21 | sing | 1.53Å | 1.55Å | |
| C20 | C19 | sing | 1.53Å | 1.60Å | |
| C22 | C27 | sing | 1.39Å | 1.41Å | Aromatic |
| C22 | C21 | sing | 1.51Å | 1.49Å | |
| C27 | F28 | sing | 1.35Å | 1.33Å | |
| C19 | O18 | sing | 1.43Å | 1.40Å | |
| C17 | O18 | sing | 1.43Å | 1.39Å | |
| C11 | H31 | sing | 1.08Å | 1.08Å | |
| C12 | H32 | sing | 1.08Å | 1.08Å | |
| C14 | H33 | sing | 1.08Å | 1.08Å | |
| C15 | H36 | sing | 1.09Å | 1.10Å | |
| C15 | H35 | sing | 1.09Å | 1.10Å | |
| C15 | H34 | sing | 1.09Å | 1.10Å | |
| C16 | H37 | sing | 1.09Å | 1.10Å | |
| C16 | H38 | sing | 1.09Å | 1.10Å | |
| C17 | H39 | sing | 1.09Å | 1.10Å | |
| C17 | H40 | sing | 1.09Å | 1.10Å | |
| C19 | H42 | sing | 1.09Å | 1.10Å | |
| C19 | H41 | sing | 1.09Å | 1.10Å | |
| C20 | H43 | sing | 1.09Å | 1.10Å | |
| C21 | H44 | sing | 1.09Å | 1.10Å | |
| C21 | H45 | sing | 1.09Å | 1.10Å | |
| C23 | H46 | sing | 1.08Å | 1.08Å | |
| C24 | H47 | sing | 1.08Å | 1.08Å | |
| C25 | H48 | sing | 1.08Å | 1.08Å | |
| C26 | H49 | sing | 1.08Å | 1.08Å | |
| C4 | H30 | sing | 1.08Å | 1.08Å | |
| N2 | H29 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C12 | C13 | 118.3° | 119.3° |
| C12 | C11 | N10 | 124.1° | 120.9° |
| C12 | C11 | H31 | 117.9° | 119.5° |
| C11 | C12 | H32 | 120.8° | 120.4° |
| C12 | C13 | C15 | 123.2° | 120.7° |
| C12 | C13 | C14 | 118.6° | 118.5° |
| C13 | C12 | H32 | 120.9° | 120.3° |
| C11 | N10 | C9 | 115.8° | 121.6° |
| N10 | C11 | H31 | 117.9° | 119.5° |
| C15 | C13 | C14 | 118.2° | 120.8° |
| C13 | C15 | H36 | 109.5° | 109.5° |
| C13 | C15 | H35 | 109.4° | 109.5° |
| C13 | C15 | H34 | 109.5° | 109.5° |
| C13 | C14 | C9 | 118.8° | 119.1° |
| C13 | C14 | H33 | 120.6° | 120.5° |
| N10 | C9 | C14 | 124.4° | 120.5° |
| N10 | C9 | C5 | 117.6° | 119.8° |
| C14 | C9 | C5 | 118.0° | 119.7° |
| C9 | C14 | H33 | 120.6° | 120.4° |
| C9 | C5 | C4 | 128.1° | 126.2° |
| C9 | C5 | N1 | 121.6° | 126.2° |
| C4 | C5 | N1 | 110.3° | 107.6° |
| C5 | C4 | C3 | 104.4° | 105.3° |
| C5 | C4 | H30 | 127.8° | 127.4° |
| C5 | N1 | N2 | 107.2° | 110.8° |
| C4 | C3 | N2 | 107.2° | 106.5° |
| C4 | C3 | C6 | 127.3° | 126.8° |
| C3 | C4 | H30 | 127.8° | 127.4° |
| N1 | N2 | C3 | 110.9° | 109.9° |
| N1 | N2 | H29 | 124.5° | 125.0° |
| N2 | C3 | C6 | 125.6° | 126.7° |
| C3 | N2 | H29 | 124.5° | 125.1° |
| C3 | C6 | O8 | 118.9° | 120.0° |
| C3 | C6 | N7 | 120.4° | 120.0° |
| O8 | C6 | N7 | 120.8° | 120.0° |
| C6 | N7 | C16 | 119.2° | 121.0° |
| C6 | N7 | C20 | 124.6° | 121.0° |
| C25 | C24 | C23 | 120.6° | 120.1° |
| C24 | C25 | C26 | 120.8° | 120.0° |
| C25 | C24 | H47 | 119.7° | 120.0° |
| C24 | C25 | H48 | 119.6° | 120.0° |
| C24 | C23 | C22 | 119.7° | 120.0° |
| C24 | C23 | H46 | 120.2° | 120.0° |
| C23 | C24 | H47 | 119.7° | 120.0° |
| C25 | C26 | C27 | 118.2° | 120.0° |
| C26 | C25 | H48 | 119.6° | 120.0° |
| C25 | C26 | H49 | 120.9° | 120.0° |
| C23 | C22 | C27 | 118.8° | 120.0° |
| C23 | C22 | C21 | 121.7° | 120.0° |
| C22 | C23 | H46 | 120.1° | 120.0° |
| C16 | N7 | C20 | 116.2° | 118.0° |
| N7 | C16 | C17 | 110.6° | 108.4° |
| N7 | C16 | H37 | 109.2° | 109.7° |
| N7 | C16 | H38 | 109.2° | 109.7° |
| N7 | C20 | C21 | 109.1° | 109.7° |
| N7 | C20 | C19 | 107.1° | 108.4° |
| N7 | C20 | H43 | 110.8° | 109.7° |
| C26 | C27 | C22 | 121.9° | 120.0° |
| C26 | C27 | F28 | 118.3° | 120.1° |
| C27 | C26 | H49 | 120.9° | 120.0° |
| C16 | C17 | O18 | 106.3° | 109.2° |
| C17 | C16 | H37 | 109.2° | 109.7° |
| C17 | C16 | H38 | 109.2° | 109.7° |
| C16 | C17 | H39 | 110.2° | 109.5° |
| C16 | C17 | H40 | 110.2° | 109.5° |
| C21 | C20 | C19 | 110.5° | 109.7° |
| C20 | C21 | C22 | 109.6° | 109.4° |
| C21 | C20 | H43 | 109.9° | 109.7° |
| C20 | C21 | H44 | 109.5° | 109.5° |
| C20 | C21 | H45 | 109.5° | 109.4° |
| C20 | C19 | O18 | 106.9° | 109.3° |
| C20 | C19 | H42 | 110.1° | 109.5° |
| C20 | C19 | H41 | 110.1° | 109.6° |
| C19 | C20 | H43 | 109.3° | 109.7° |
| C27 | C22 | C21 | 119.5° | 120.0° |
| C22 | C27 | F28 | 119.8° | 120.0° |
| C22 | C21 | H44 | 109.4° | 109.5° |
| C22 | C21 | H45 | 109.4° | 109.5° |
| C19 | O18 | C17 | 101.9° | 114.1° |
| O18 | C19 | H42 | 110.1° | 109.5° |
| O18 | C19 | H41 | 110.1° | 109.5° |
| O18 | C17 | H39 | 110.3° | 109.5° |
| O18 | C17 | H40 | 110.3° | 109.6° |
| H36 | C15 | H35 | 109.5° | 109.5° |
| H36 | C15 | H34 | 109.5° | 109.5° |
| H35 | C15 | H34 | 109.5° | 109.4° |
| H37 | C16 | H38 | 109.5° | 109.6° |
| H39 | C17 | H40 | 109.5° | 109.6° |
| H42 | C19 | H41 | 109.5° | 109.5° |
| H44 | C21 | H45 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C12 | C13 | H32 | 180.0° | 179.9° |
| C12 | C11 | N10 | H31 | 180.0° | 179.7° |
| C11 | C12 | C13 | C15 | 179.8° | 180.0° |
| C11 | C12 | C13 | C14 | 0.3° | 0.0° |
| C12 | C11 | N10 | C9 | 0.7° | 0.0° |
| C13 | C12 | C11 | N10 | 0.3° | 0.0° |
| C12 | C13 | C15 | C14 | 179.5° | 180.0° |
| C12 | C13 | C14 | C9 | 0.4° | 0.0° |
| C13 | C12 | C11 | H31 | 179.7° | 179.7° |
| C12 | C13 | C14 | H33 | 179.6° | 179.9° |
| C12 | C13 | C15 | H36 | 89.7° | 90.0° |
| C12 | C13 | C15 | H35 | 150.2° | 149.9° |
| C12 | C13 | C15 | H34 | 30.3° | 30.0° |
| C11 | N10 | C9 | C14 | 0.6° | 0.0° |
| C11 | N10 | C9 | C5 | 178.9° | 180.0° |
| N10 | C11 | C12 | H32 | 179.7° | 179.9° |
| C15 | C13 | C14 | C9 | 179.9° | 180.0° |
| C15 | C13 | C12 | H32 | 0.2° | 0.0° |
| C15 | C13 | C14 | H33 | 0.1° | 0.1° |
| C13 | C15 | H36 | H35 | 120.0° | 120.0° |
| C13 | C15 | H36 | H34 | 120.0° | 120.0° |
| C13 | C15 | H35 | H34 | 120.0° | 120.0° |
| C13 | C14 | C9 | N10 | 0.1° | 0.0° |
| C13 | C14 | C9 | H33 | 180.0° | 179.9° |
| C13 | C14 | C9 | C5 | 179.4° | 180.0° |
| C14 | C13 | C12 | H32 | 179.7° | 179.9° |
| C14 | C13 | C15 | H36 | 89.8° | 90.0° |
| C14 | C13 | C15 | H35 | 30.2° | 30.0° |
| C14 | C13 | C15 | H34 | 150.2° | 150.0° |
| N10 | C9 | C14 | C5 | 179.5° | 180.0° |
| N10 | C9 | C5 | C4 | 11.9° | 0.0° |
| N10 | C9 | C5 | N1 | 169.9° | 180.0° |
| C9 | N10 | C11 | H31 | 179.3° | 179.7° |
| N10 | C9 | C14 | H33 | 179.9° | 179.9° |
| C14 | C9 | C5 | C4 | 168.6° | 180.0° |
| C14 | C9 | C5 | N1 | 9.7° | 0.0° |
| C9 | C5 | C4 | N1 | 178.4° | 180.0° |
| C9 | C5 | C4 | C3 | 178.0° | 180.0° |
| C9 | C5 | N1 | N2 | 178.1° | 179.7° |
| C5 | C9 | C14 | H33 | 0.6° | 0.1° |
| C9 | C5 | C4 | H30 | 2.1° | 0.0° |
| C5 | C4 | C3 | H30 | 180.0° | 180.0° |
| C4 | C5 | N1 | N2 | 0.5° | 0.3° |
| C5 | C4 | C3 | N2 | 0.2° | 0.2° |
| C5 | C4 | C3 | C6 | 179.3° | 180.0° |
| N1 | C5 | C4 | C3 | 0.4° | 0.0° |
| C5 | N1 | N2 | C3 | 0.3° | 0.5° |
| N1 | C5 | C4 | H30 | 179.5° | 180.0° |
| C5 | N1 | N2 | H29 | 179.7° | 180.0° |
| C4 | C3 | N2 | N1 | 0.0° | 0.4° |
| C4 | C3 | N2 | C6 | 179.1° | 179.8° |
| C4 | C3 | C6 | O8 | 40.4° | 26.3° |
| C4 | C3 | C6 | N7 | 140.2° | 153.7° |
| C4 | C3 | N2 | H29 | 180.0° | 180.0° |
| N1 | N2 | C3 | H29 | 180.0° | 179.5° |
| N1 | N2 | C3 | C6 | 179.1° | 179.8° |
| N2 | C3 | C6 | O8 | 138.5° | 154.0° |
| N2 | C3 | C6 | N7 | 40.9° | 26.0° |
| N2 | C3 | C4 | H30 | 179.7° | 179.8° |
| C3 | C6 | O8 | N7 | 179.4° | 179.9° |
| C3 | C6 | N7 | C16 | 159.4° | 6.8° |
| C3 | C6 | N7 | C20 | 20.8° | 173.1° |
| C6 | C3 | C4 | H30 | 0.6° | 0.0° |
| C6 | C3 | N2 | H29 | 0.9° | 0.3° |
| O8 | C6 | N7 | C16 | 19.9° | 173.2° |
| O8 | C6 | N7 | C20 | 159.8° | 7.0° |
| C6 | N7 | C16 | C20 | 179.8° | 179.9° |
| C6 | N7 | C16 | C17 | 140.5° | 129.4° |
| C6 | N7 | C20 | C21 | 101.0° | 9.7° |
| C6 | N7 | C20 | C19 | 139.3° | 129.4° |
| C6 | N7 | C16 | H37 | 20.3° | 9.6° |
| C6 | N7 | C16 | H38 | 99.3° | 110.8° |
| C6 | N7 | C20 | H43 | 20.2° | 110.9° |
| C25 | C24 | C23 | H47 | 180.0° | 179.9° |
| C24 | C25 | C26 | H48 | 180.0° | 180.0° |
| C25 | C24 | C23 | C22 | 0.3° | 0.0° |
| C24 | C25 | C26 | C27 | 0.1° | 0.0° |
| C25 | C24 | C23 | H46 | 179.7° | 179.9° |
| C24 | C25 | C26 | H49 | 179.9° | 180.0° |
| C23 | C24 | C25 | C26 | 0.1° | 0.0° |
| C24 | C23 | C22 | H46 | 180.0° | 179.9° |
| C24 | C23 | C22 | C27 | 0.2° | 0.0° |
| C24 | C23 | C22 | C21 | 179.5° | 179.7° |
| C23 | C24 | C25 | H48 | 179.9° | 180.0° |
| C25 | C26 | C27 | H49 | 180.0° | 180.0° |
| C25 | C26 | C27 | C22 | 0.3° | 0.1° |
| C25 | C26 | C27 | F28 | 178.5° | 179.7° |
| C26 | C25 | C24 | H47 | 179.9° | 179.9° |
| C23 | C22 | C27 | C26 | 0.1° | 0.1° |
| C23 | C22 | C21 | C20 | 72.5° | 91.7° |
| C23 | C22 | C27 | C21 | 179.7° | 179.7° |
| C23 | C22 | C27 | F28 | 178.6° | 179.7° |
| C23 | C22 | C21 | H44 | 47.5° | 148.2° |
| C23 | C22 | C21 | H45 | 167.5° | 28.2° |
| C22 | C23 | C24 | H47 | 179.7° | 179.9° |
| N7 | C16 | C17 | H37 | 120.2° | 119.8° |
| N7 | C16 | C17 | H38 | 120.2° | 119.8° |
| C16 | N7 | C20 | C21 | 78.7° | 170.2° |
| C16 | N7 | C20 | C19 | 40.9° | 50.5° |
| N7 | C16 | C17 | O18 | 56.5° | 52.3° |
| N7 | C16 | H37 | H38 | 119.5° | 120.5° |
| N7 | C16 | C17 | H39 | 63.1° | 172.2° |
| N7 | C16 | C17 | H40 | 176.0° | 67.6° |
| C16 | N7 | C20 | H43 | 160.1° | 69.2° |
| C20 | N7 | C16 | C17 | 39.7° | 50.5° |
| N7 | C20 | C21 | C19 | 117.6° | 118.9° |
| N7 | C20 | C21 | H43 | 121.7° | 120.5° |
| N7 | C20 | C19 | H43 | 120.1° | 119.7° |
| N7 | C20 | C21 | C22 | 53.3° | 177.3° |
| N7 | C20 | C19 | O18 | 60.7° | 52.3° |
| C20 | N7 | C16 | H37 | 159.9° | 170.3° |
| C20 | N7 | C16 | H38 | 80.4° | 69.3° |
| N7 | C20 | C19 | H42 | 179.7° | 67.6° |
| N7 | C20 | C19 | H41 | 58.9° | 172.2° |
| N7 | C20 | C21 | H44 | 173.3° | 57.2° |
| N7 | C20 | C21 | H45 | 66.7° | 62.7° |
| C26 | C27 | C22 | F28 | 178.7° | 179.8° |
| C26 | C27 | C22 | C21 | 179.8° | 179.8° |
| C27 | C26 | C25 | H48 | 179.8° | 180.0° |
| C16 | C17 | O18 | C19 | 76.9° | 62.6° |
| C16 | C17 | O18 | H39 | 119.5° | 119.9° |
| C16 | C17 | O18 | H40 | 119.5° | 119.9° |
| C17 | C16 | H37 | H38 | 119.5° | 120.5° |
| C16 | C17 | H39 | H40 | 121.4° | 120.1° |
| C21 | C20 | C19 | H43 | 121.1° | 120.6° |
| C20 | C21 | C22 | C27 | 107.8° | 88.0° |
| C20 | C21 | C22 | H44 | 120.0° | 120.0° |
| C20 | C21 | C22 | H45 | 120.0° | 120.0° |
| C21 | C20 | C19 | O18 | 58.1° | 172.0° |
| C21 | C20 | C19 | H42 | 61.6° | 52.1° |
| C21 | C20 | C19 | H41 | 177.6° | 68.1° |
| C20 | C21 | H44 | H45 | 120.0° | 119.9° |
| C19 | C20 | C21 | C22 | 170.9° | 58.3° |
| C20 | C19 | O18 | H42 | 119.6° | 120.0° |
| C20 | C19 | O18 | H41 | 119.6° | 120.0° |
| C20 | C19 | O18 | C17 | 80.9° | 62.6° |
| C20 | C19 | H42 | H41 | 121.2° | 120.2° |
| C19 | C20 | C21 | H44 | 69.1° | 61.7° |
| C19 | C20 | C21 | H45 | 50.9° | 178.3° |
| C27 | C22 | C21 | H44 | 132.2° | 32.0° |
| C27 | C22 | C21 | H45 | 12.3° | 152.0° |
| C27 | C22 | C23 | H46 | 179.8° | 180.0° |
| C22 | C27 | C26 | H49 | 179.8° | 179.9° |
| C21 | C22 | C27 | F28 | 1.1° | 0.0° |
| C22 | C21 | C20 | H43 | 68.4° | 62.2° |
| C22 | C21 | H44 | H45 | 119.9° | 120.0° |
| C21 | C22 | C23 | H46 | 0.4° | 0.3° |
| F28 | C27 | C26 | H49 | 1.5° | 0.3° |
| C19 | O18 | C17 | H39 | 42.6° | 177.5° |
| C19 | O18 | C17 | H40 | 163.6° | 57.4° |
| O18 | C19 | H42 | H41 | 121.2° | 120.0° |
| O18 | C19 | C20 | H43 | 179.2° | 67.4° |
| O18 | C17 | C16 | H37 | 176.6° | 172.1° |
| O18 | C17 | C16 | H38 | 63.7° | 67.5° |
| O18 | C17 | H39 | H40 | 121.5° | 120.2° |
| C17 | O18 | C19 | H42 | 159.5° | 57.4° |
| C17 | O18 | C19 | H41 | 38.7° | 177.4° |
| H31 | C11 | C12 | H32 | 0.3° | 0.4° |
| H36 | C15 | H35 | H34 | 120.0° | 120.0° |
| H37 | C16 | C17 | H39 | 57.1° | 68.0° |
| H37 | C16 | C17 | H40 | 63.9° | 52.1° |
| H38 | C16 | C17 | H39 | 176.8° | 52.4° |
| H38 | C16 | C17 | H40 | 55.8° | 172.6° |
| H42 | C19 | C20 | H43 | 59.6° | 172.7° |
| H41 | C19 | C20 | H43 | 61.3° | 52.5° |
| H43 | C20 | C21 | H44 | 51.6° | 177.7° |
| H43 | C20 | C21 | H45 | 171.6° | 57.8° |
| H46 | C23 | C24 | H47 | 0.3° | 0.0° |
| H47 | C24 | C25 | H48 | 0.1° | 0.1° |
| H48 | C25 | C26 | H49 | 0.1° | 0.0° |
