A1MA8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O17 | C14 | doub | 1.21Å | 1.20Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C18 | C15 | sing | 1.51Å | 1.53Å | |
| O19 | C15 | doub | 1.21Å | 1.19Å | |
| C15 | C12 | sing | 1.47Å | 1.47Å | |
| C14 | C16 | sing | 1.51Å | 1.53Å | |
| C14 | C1 | sing | 1.47Å | 1.47Å | |
| C13 | C12 | doub | 1.40Å | 1.40Å | Aromatic |
| C13 | C9 | sing | 1.39Å | 1.36Å | Aromatic |
| C12 | C11 | sing | 1.40Å | 1.40Å | Aromatic |
| C6 | C1 | doub | 1.40Å | 1.40Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.36Å | Aromatic |
| C1 | C2 | sing | 1.40Å | 1.40Å | Aromatic |
| C9 | C5 | sing | 1.48Å | 1.40Å | Aromatic |
| C9 | C8 | doub | 1.41Å | 1.41Å | Aromatic |
| C11 | C10 | doub | 1.36Å | 1.40Å | Aromatic |
| C5 | C4 | doub | 1.41Å | 1.41Å | Aromatic |
| C2 | C3 | doub | 1.36Å | 1.40Å | Aromatic |
| C10 | C8 | sing | 1.40Å | 1.37Å | Aromatic |
| C8 | N7 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | N22 | sing | 1.47Å | 1.46Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C4 | C3 | sing | 1.40Å | 1.37Å | Aromatic |
| C4 | N7 | sing | 1.38Å | 1.40Å | Aromatic |
| N7 | C20 | sing | 1.46Å | 1.48Å | |
| C23 | N22 | sing | 1.47Å | 1.46Å | |
| C23 | C25 | sing | 1.53Å | 1.53Å | |
| C2 | H26 | sing | 1.08Å | 1.08Å | |
| C3 | H27 | sing | 1.08Å | 1.08Å | |
| C6 | H28 | sing | 1.08Å | 1.08Å | |
| C10 | H29 | sing | 1.08Å | 1.08Å | |
| C11 | H30 | sing | 1.08Å | 1.08Å | |
| C13 | H31 | sing | 1.08Å | 1.08Å | |
| C16 | H34 | sing | 1.09Å | 1.10Å | |
| C16 | H32 | sing | 1.09Å | 1.10Å | |
| C16 | H33 | sing | 1.09Å | 1.10Å | |
| C18 | H36 | sing | 1.09Å | 1.10Å | |
| C18 | H37 | sing | 1.09Å | 1.10Å | |
| C18 | H35 | sing | 1.09Å | 1.10Å | |
| C20 | H38 | sing | 1.09Å | 1.10Å | |
| C20 | H39 | sing | 1.09Å | 1.10Å | |
| C21 | H40 | sing | 1.09Å | 1.10Å | |
| C21 | H41 | sing | 1.09Å | 1.10Å | |
| N22 | H50 | sing | 1.01Å | 1.00Å | |
| C23 | H42 | sing | 1.09Å | 1.10Å | |
| C24 | H44 | sing | 1.09Å | 1.10Å | |
| C24 | H45 | sing | 1.09Å | 1.10Å | |
| C24 | H43 | sing | 1.09Å | 1.10Å | |
| C25 | H46 | sing | 1.09Å | 1.10Å | |
| C25 | H48 | sing | 1.09Å | 1.10Å | |
| C25 | H47 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O17 | C14 | C16 | 120.9° | 120.0° |
| O17 | C14 | C1 | 120.2° | 120.0° |
| C24 | C23 | N22 | 113.1° | 109.4° |
| C24 | C23 | C25 | 111.6° | 109.5° |
| C24 | C23 | H42 | 106.9° | 109.5° |
| C23 | C24 | H44 | 109.5° | 109.4° |
| C23 | C24 | H45 | 109.4° | 109.5° |
| C23 | C24 | H43 | 109.5° | 109.5° |
| C18 | C15 | O19 | 120.8° | 120.0° |
| C18 | C15 | C12 | 118.8° | 120.0° |
| C15 | C18 | H36 | 109.5° | 109.5° |
| C15 | C18 | H37 | 109.4° | 109.5° |
| C15 | C18 | H35 | 109.5° | 109.5° |
| O19 | C15 | C12 | 120.3° | 120.0° |
| C15 | C12 | C13 | 118.4° | 120.1° |
| C15 | C12 | C11 | 122.0° | 120.0° |
| C16 | C14 | C1 | 118.9° | 120.0° |
| C14 | C16 | H34 | 109.5° | 109.5° |
| C14 | C16 | H32 | 109.5° | 109.5° |
| C14 | C16 | H33 | 109.5° | 109.5° |
| C14 | C1 | C6 | 118.7° | 120.1° |
| C14 | C1 | C2 | 122.0° | 120.1° |
| C12 | C13 | C9 | 118.6° | 119.5° |
| C13 | C12 | C11 | 119.4° | 119.9° |
| C12 | C13 | H31 | 120.7° | 120.2° |
| C13 | C9 | C5 | 128.9° | 133.5° |
| C13 | C9 | C8 | 122.6° | 120.2° |
| C9 | C13 | H31 | 120.7° | 120.3° |
| C12 | C11 | C10 | 120.3° | 120.5° |
| C12 | C11 | H30 | 119.8° | 119.7° |
| C1 | C6 | C5 | 118.8° | 119.5° |
| C6 | C1 | C2 | 119.2° | 119.9° |
| C1 | C6 | H28 | 120.6° | 120.2° |
| C6 | C5 | C9 | 128.7° | 133.5° |
| C6 | C5 | C4 | 122.9° | 120.2° |
| C5 | C6 | H28 | 120.6° | 120.3° |
| C1 | C2 | C3 | 120.6° | 120.5° |
| C1 | C2 | H26 | 119.7° | 119.7° |
| C5 | C9 | C8 | 108.4° | 106.3° |
| C9 | C5 | C4 | 108.4° | 106.3° |
| C9 | C8 | C10 | 118.7° | 119.6° |
| C9 | C8 | N7 | 106.4° | 108.4° |
| C11 | C10 | C8 | 120.0° | 120.4° |
| C11 | C10 | H29 | 120.0° | 119.7° |
| C10 | C11 | H30 | 119.8° | 119.8° |
| C5 | C4 | C3 | 118.3° | 119.5° |
| C5 | C4 | N7 | 106.3° | 108.4° |
| C2 | C3 | C4 | 120.2° | 120.4° |
| C3 | C2 | H26 | 119.7° | 119.8° |
| C2 | C3 | H27 | 119.9° | 119.7° |
| C10 | C8 | N7 | 134.9° | 132.1° |
| C8 | C10 | H29 | 120.0° | 119.8° |
| C8 | N7 | C4 | 110.3° | 110.6° |
| C8 | N7 | C20 | 124.2° | 124.7° |
| N22 | C21 | C20 | 110.1° | 109.5° |
| C21 | N22 | C23 | 117.3° | 111.0° |
| N22 | C21 | H40 | 109.3° | 109.5° |
| N22 | C21 | H41 | 109.3° | 109.5° |
| C21 | N22 | H50 | 107.5° | 111.0° |
| C21 | C20 | N7 | 114.7° | 109.4° |
| C21 | C20 | H38 | 108.2° | 109.4° |
| C21 | C20 | H39 | 108.1° | 109.5° |
| C20 | C21 | H40 | 109.3° | 109.4° |
| C20 | C21 | H41 | 109.3° | 109.5° |
| C3 | C4 | N7 | 135.4° | 132.1° |
| C4 | C3 | H27 | 119.9° | 119.8° |
| C4 | N7 | C20 | 125.4° | 124.7° |
| N7 | C20 | H38 | 108.1° | 109.5° |
| N7 | C20 | H39 | 108.2° | 109.5° |
| N22 | C23 | C25 | 110.5° | 109.5° |
| C23 | N22 | H50 | 107.5° | 111.0° |
| N22 | C23 | H42 | 107.7° | 109.5° |
| C25 | C23 | H42 | 106.8° | 109.5° |
| C23 | C25 | H46 | 109.5° | 109.4° |
| C23 | C25 | H48 | 109.5° | 109.5° |
| C23 | C25 | H47 | 109.5° | 109.5° |
| H34 | C16 | H32 | 109.5° | 109.5° |
| H34 | C16 | H33 | 109.4° | 109.5° |
| H32 | C16 | H33 | 109.5° | 109.5° |
| H36 | C18 | H37 | 109.5° | 109.4° |
| H36 | C18 | H35 | 109.5° | 109.5° |
| H37 | C18 | H35 | 109.5° | 109.5° |
| H38 | C20 | H39 | 109.5° | 109.5° |
| H40 | C21 | H41 | 109.5° | 109.5° |
| H44 | C24 | H45 | 109.5° | 109.5° |
| H44 | C24 | H43 | 109.4° | 109.5° |
| H45 | C24 | H43 | 109.5° | 109.5° |
| H46 | C25 | H48 | 109.5° | 109.5° |
| H46 | C25 | H47 | 109.4° | 109.5° |
| H48 | C25 | H47 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O17 | C14 | C16 | C1 | 179.8° | 179.9° |
| O17 | C14 | C1 | C6 | 3.6° | 174.2° |
| O17 | C14 | C1 | C2 | 176.1° | 5.5° |
| O17 | C14 | C16 | H34 | 0.0° | 174.9° |
| O17 | C14 | C16 | H32 | 120.0° | 54.9° |
| O17 | C14 | C16 | H33 | 120.0° | 65.1° |
| C24 | C23 | N22 | C21 | 47.1° | 85.0° |
| C24 | C23 | N22 | C25 | 125.9° | 120.0° |
| C24 | C23 | N22 | H42 | 117.8° | 120.0° |
| C24 | C23 | C25 | H42 | 116.5° | 120.0° |
| C24 | C23 | N22 | H50 | 168.2° | 39.0° |
| C23 | C24 | H44 | H45 | 120.0° | 120.0° |
| C23 | C24 | H44 | H43 | 120.0° | 120.0° |
| C23 | C24 | H45 | H43 | 120.0° | 120.0° |
| C24 | C23 | C25 | H46 | 180.0° | 180.0° |
| C24 | C23 | C25 | H48 | 60.0° | 60.1° |
| C24 | C23 | C25 | H47 | 60.0° | 60.0° |
| C18 | C15 | O19 | C12 | 177.7° | 180.0° |
| C18 | C15 | C12 | C13 | 173.4° | 5.5° |
| C18 | C15 | C12 | C11 | 10.9° | 174.5° |
| C15 | C18 | H36 | H37 | 120.0° | 120.0° |
| C15 | C18 | H36 | H35 | 120.0° | 120.0° |
| C15 | C18 | H37 | H35 | 120.0° | 120.0° |
| O19 | C15 | C12 | C13 | 8.8° | 174.5° |
| O19 | C15 | C12 | C11 | 166.9° | 5.5° |
| O19 | C15 | C18 | H36 | 0.0° | 174.9° |
| O19 | C15 | C18 | H37 | 120.0° | 65.1° |
| O19 | C15 | C18 | H35 | 120.0° | 54.9° |
| C15 | C12 | C13 | C11 | 175.8° | 180.0° |
| C15 | C12 | C13 | C9 | 171.8° | 180.0° |
| C15 | C12 | C11 | C10 | 170.9° | 180.0° |
| C15 | C12 | C11 | H30 | 9.1° | 0.0° |
| C15 | C12 | C13 | H31 | 8.2° | 0.0° |
| C12 | C15 | C18 | H36 | 177.7° | 5.1° |
| C12 | C15 | C18 | H37 | 62.3° | 114.9° |
| C12 | C15 | C18 | H35 | 57.7° | 125.1° |
| C16 | C14 | C1 | C6 | 176.6° | 5.9° |
| C16 | C14 | C1 | C2 | 3.7° | 174.5° |
| C14 | C16 | H34 | H32 | 120.0° | 120.0° |
| C14 | C16 | H34 | H33 | 120.0° | 120.0° |
| C14 | C16 | H32 | H33 | 120.0° | 120.0° |
| C14 | C1 | C6 | C2 | 179.7° | 179.6° |
| C14 | C1 | C6 | C5 | 179.4° | 179.7° |
| C14 | C1 | C2 | C3 | 179.8° | 179.7° |
| C14 | C1 | C2 | H26 | 0.1° | 0.3° |
| C14 | C1 | C6 | H28 | 0.6° | 0.4° |
| C1 | C14 | C16 | H34 | 179.8° | 5.1° |
| C1 | C14 | C16 | H32 | 59.7° | 125.1° |
| C1 | C14 | C16 | H33 | 60.3° | 114.9° |
| C12 | C13 | C9 | H31 | 180.0° | 180.0° |
| C12 | C13 | C9 | C5 | 177.9° | 180.0° |
| C12 | C13 | C9 | C8 | 0.1° | 0.0° |
| C13 | C12 | C11 | C10 | 4.8° | 0.0° |
| C13 | C12 | C11 | H30 | 175.2° | 180.0° |
| C9 | C13 | C12 | C11 | 4.0° | 0.0° |
| C13 | C9 | C5 | C6 | 1.9° | 0.1° |
| C13 | C9 | C5 | C8 | 178.2° | 180.0° |
| C13 | C9 | C5 | C4 | 176.7° | 180.0° |
| C13 | C9 | C8 | C10 | 3.2° | 0.0° |
| C13 | C9 | C8 | N7 | 175.1° | 180.0° |
| C12 | C11 | C10 | H30 | 180.0° | 179.9° |
| C12 | C11 | C10 | C8 | 1.5° | 0.1° |
| C12 | C11 | C10 | H29 | 178.5° | 179.9° |
| C11 | C12 | C13 | H31 | 176.0° | 180.0° |
| C1 | C6 | C5 | H28 | 180.0° | 180.0° |
| C1 | C6 | C5 | C9 | 178.4° | 179.9° |
| C1 | C6 | C5 | C4 | 0.1° | 0.0° |
| C6 | C1 | C2 | C3 | 0.1° | 0.1° |
| C6 | C1 | C2 | H26 | 179.8° | 180.0° |
| C5 | C6 | C1 | C2 | 0.3° | 0.0° |
| C6 | C5 | C9 | C4 | 178.7° | 179.9° |
| C6 | C5 | C9 | C8 | 179.8° | 180.0° |
| C6 | C5 | C4 | C3 | 0.6° | 0.1° |
| C6 | C5 | C4 | N7 | 177.9° | 180.0° |
| C1 | C2 | C3 | H26 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.8° | 0.1° |
| C1 | C2 | C3 | H27 | 179.2° | 180.0° |
| C2 | C1 | C6 | H28 | 179.7° | 180.0° |
| C5 | C9 | C8 | C10 | 178.4° | 180.0° |
| C5 | C9 | C8 | N7 | 3.3° | 0.0° |
| C9 | C5 | C4 | C3 | 179.4° | 180.0° |
| C9 | C5 | C4 | N7 | 0.9° | 0.1° |
| C9 | C5 | C6 | H28 | 1.6° | 0.0° |
| C5 | C9 | C13 | H31 | 2.1° | 0.0° |
| C9 | C8 | C10 | C11 | 2.4° | 0.1° |
| C8 | C9 | C5 | C4 | 1.5° | 0.1° |
| C9 | C8 | C10 | N7 | 177.7° | 179.9° |
| C9 | C8 | N7 | C4 | 3.9° | 0.0° |
| C9 | C8 | N7 | C20 | 173.8° | 180.0° |
| C9 | C8 | C10 | H29 | 177.6° | 180.0° |
| C8 | C9 | C13 | H31 | 180.0° | 180.0° |
| C11 | C10 | C8 | H29 | 180.0° | 180.0° |
| C11 | C10 | C8 | N7 | 175.3° | 180.0° |
| C5 | C4 | C3 | C2 | 1.0° | 0.0° |
| C5 | C4 | N7 | C8 | 3.0° | 0.0° |
| C5 | C4 | C3 | N7 | 177.9° | 179.9° |
| C5 | C4 | N7 | C20 | 174.6° | 180.0° |
| C5 | C4 | C3 | H27 | 178.9° | 180.0° |
| C4 | C5 | C6 | H28 | 179.9° | 179.9° |
| C2 | C3 | C4 | H27 | 180.0° | 180.0° |
| C2 | C3 | C4 | N7 | 176.9° | 180.0° |
| C10 | C8 | N7 | C4 | 178.2° | 180.0° |
| C10 | C8 | N7 | C20 | 4.1° | 0.0° |
| C8 | C10 | C11 | H30 | 178.5° | 180.0° |
| C8 | N7 | C20 | C21 | 119.9° | 90.0° |
| C8 | N7 | C4 | C3 | 178.9° | 180.0° |
| C8 | N7 | C4 | C20 | 177.6° | 180.0° |
| N7 | C8 | C10 | H29 | 4.8° | 0.0° |
| C8 | N7 | C20 | H38 | 0.8° | 29.9° |
| C8 | N7 | C20 | H39 | 119.3° | 150.0° |
| N22 | C21 | C20 | H40 | 120.1° | 119.9° |
| N22 | C21 | C20 | H41 | 120.1° | 120.0° |
| N22 | C21 | C20 | N7 | 173.7° | 180.0° |
| C21 | N22 | C23 | H50 | 121.1° | 124.0° |
| C21 | N22 | C23 | C25 | 78.8° | 155.0° |
| N22 | C21 | C20 | H38 | 65.5° | 60.0° |
| N22 | C21 | C20 | H39 | 53.0° | 60.0° |
| N22 | C21 | H40 | H41 | 119.7° | 120.0° |
| C21 | N22 | C23 | H42 | 164.9° | 35.0° |
| C21 | C20 | N7 | C4 | 62.8° | 90.1° |
| C21 | C20 | N7 | H38 | 120.8° | 119.9° |
| C21 | C20 | N7 | H39 | 120.8° | 120.0° |
| C20 | C21 | N22 | C23 | 152.4° | 180.0° |
| C21 | C20 | H38 | H39 | 117.6° | 120.0° |
| C20 | C21 | H40 | H41 | 119.7° | 120.0° |
| C20 | C21 | N22 | H50 | 31.3° | 56.1° |
| C3 | C4 | N7 | C20 | 3.4° | 0.1° |
| C4 | C3 | C2 | H26 | 179.2° | 180.0° |
| N7 | C4 | C3 | H27 | 3.2° | 0.0° |
| C4 | N7 | C20 | H38 | 176.5° | 150.0° |
| C4 | N7 | C20 | H39 | 58.0° | 29.9° |
| N7 | C20 | H38 | H39 | 117.6° | 120.1° |
| N7 | C20 | C21 | H40 | 53.6° | 60.1° |
| N7 | C20 | C21 | H41 | 66.2° | 60.0° |
| N22 | C23 | C25 | H42 | 116.8° | 120.0° |
| C23 | N22 | C21 | H40 | 32.3° | 60.0° |
| C23 | N22 | C21 | H41 | 87.5° | 60.0° |
| N22 | C23 | C24 | H44 | 180.0° | 180.0° |
| N22 | C23 | C24 | H45 | 60.0° | 60.0° |
| N22 | C23 | C24 | H43 | 60.0° | 60.0° |
| N22 | C23 | C25 | H46 | 53.3° | 60.0° |
| N22 | C23 | C25 | H48 | 173.3° | 180.0° |
| N22 | C23 | C25 | H47 | 66.7° | 60.0° |
| C25 | C23 | N22 | H50 | 42.4° | 81.0° |
| C25 | C23 | C24 | H44 | 54.7° | 60.0° |
| C25 | C23 | C24 | H45 | 174.7° | 180.0° |
| C25 | C23 | C24 | H43 | 65.3° | 60.0° |
| C23 | C25 | H46 | H48 | 120.0° | 120.0° |
| C23 | C25 | H46 | H47 | 120.0° | 120.0° |
| C23 | C25 | H48 | H47 | 120.0° | 120.1° |
| H26 | C2 | C3 | H27 | 0.9° | 0.0° |
| H29 | C10 | C11 | H30 | 1.5° | 0.0° |
| H34 | C16 | H32 | H33 | 120.0° | 120.0° |
| H36 | C18 | H37 | H35 | 120.0° | 120.0° |
| H38 | C20 | C21 | H40 | 174.4° | 180.0° |
| H38 | C20 | C21 | H41 | 54.6° | 60.0° |
| H39 | C20 | C21 | H40 | 67.1° | 60.0° |
| H39 | C20 | C21 | H41 | 173.1° | 180.0° |
| H40 | C21 | N22 | H50 | 88.8° | 176.0° |
| H41 | C21 | N22 | H50 | 151.4° | 63.9° |
| H50 | N22 | C23 | H42 | 74.0° | 159.0° |
| H42 | C23 | C24 | H44 | 61.7° | 60.0° |
| H42 | C23 | C24 | H45 | 58.3° | 60.0° |
| H42 | C23 | C24 | H43 | 178.3° | 180.0° |
| H42 | C23 | C25 | H46 | 63.6° | 60.1° |
| H42 | C23 | C25 | H48 | 56.5° | 59.9° |
| H42 | C23 | C25 | H47 | 176.5° | 180.0° |
| H44 | C24 | H45 | H43 | 120.0° | 120.0° |
| H46 | C25 | H48 | H47 | 120.0° | 120.0° |
