7AH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C5 | doub | 1.21Å | 1.26Å | |
| C5 | C4 | sing | 1.51Å | 1.53Å | |
| C5 | N | sing | 1.35Å | 1.39Å | |
| C4 | C3 | sing | 1.51Å | 1.49Å | |
| C3 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C19 | doub | 1.38Å | 1.41Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.43Å | Aromatic |
| C1 | C | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.41Å | Aromatic |
| C20 | C | doub | 1.38Å | 1.38Å | Aromatic |
| C | F | sing | 1.35Å | 1.35Å | |
| N | C6 | sing | 1.40Å | 1.41Å | |
| C6 | C18 | sing | 1.38Å | 1.42Å | Aromatic |
| C6 | C7 | doub | 1.39Å | 1.42Å | Aromatic |
| C18 | C17 | doub | 1.40Å | 1.41Å | Aromatic |
| C17 | C9 | sing | 1.41Å | 1.42Å | Aromatic |
| C17 | C11 | sing | 1.47Å | 1.42Å | Aromatic |
| C9 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | N1 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.43Å | Aromatic |
| C11 | C10 | doub | 1.34Å | 1.37Å | Aromatic |
| C11 | C12 | sing | 1.51Å | 1.51Å | |
| C10 | N1 | sing | 1.37Å | 1.41Å | Aromatic |
| C12 | C16 | sing | 1.53Å | 1.56Å | |
| C12 | C13 | sing | 1.53Å | 1.56Å | |
| C16 | C15 | sing | 1.53Å | 1.54Å | |
| C15 | N2 | sing | 1.47Å | 1.51Å | |
| N2 | C14 | sing | 1.47Å | 1.46Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C4 | H41C | sing | 1.09Å | 1.10Å | |
| C4 | H42C | sing | 1.09Å | 1.10Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N1 | HA | sing | 0.97Å | 1.00Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| N2 | HB | sing | 1.01Å | 1.00Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C5 | C4 | 118.6° | 120.0° |
| O | C5 | N | 125.2° | 120.0° |
| C4 | C5 | N | 116.2° | 120.1° |
| C5 | C4 | C3 | 105.6° | 109.5° |
| C5 | C4 | H41C | 110.5° | 109.5° |
| C5 | C4 | H42C | 110.4° | 109.4° |
| C5 | N | C6 | 124.0° | 120.0° |
| C5 | N | H | 118.0° | 120.0° |
| C4 | C3 | C2 | 121.7° | 120.0° |
| C4 | C3 | C19 | 117.8° | 120.0° |
| C3 | C4 | H41C | 110.4° | 109.5° |
| C3 | C4 | H42C | 110.4° | 109.5° |
| C2 | C3 | C19 | 120.5° | 120.0° |
| C3 | C2 | C1 | 117.1° | 120.0° |
| C3 | C2 | H2 | 121.4° | 120.0° |
| C3 | C19 | C20 | 122.7° | 120.1° |
| C3 | C19 | H19 | 118.6° | 119.9° |
| C2 | C1 | C | 121.3° | 120.0° |
| C1 | C2 | H2 | 121.5° | 120.0° |
| C2 | C1 | H1 | 119.4° | 120.0° |
| C1 | C | C20 | 122.2° | 119.9° |
| C1 | C | F | 122.2° | 120.0° |
| C | C1 | H1 | 119.3° | 120.1° |
| C19 | C20 | C | 116.1° | 120.0° |
| C20 | C19 | H19 | 118.7° | 120.0° |
| C19 | C20 | H20 | 121.9° | 120.0° |
| C20 | C | F | 115.5° | 120.0° |
| C | C20 | H20 | 122.0° | 120.0° |
| N | C6 | C18 | 122.1° | 119.9° |
| N | C6 | C7 | 117.9° | 119.9° |
| C6 | N | H | 118.0° | 120.0° |
| C18 | C6 | C7 | 119.9° | 120.2° |
| C6 | C18 | C17 | 120.2° | 119.6° |
| C6 | C18 | H18 | 119.9° | 120.2° |
| C6 | C7 | C8 | 118.9° | 120.6° |
| C6 | C7 | H7 | 120.6° | 119.7° |
| C18 | C17 | C9 | 119.8° | 120.0° |
| C18 | C17 | C11 | 135.4° | 133.9° |
| C17 | C18 | H18 | 119.9° | 120.3° |
| C9 | C17 | C11 | 104.7° | 106.0° |
| C17 | C9 | C8 | 120.3° | 119.6° |
| C17 | C9 | N1 | 109.4° | 107.1° |
| C17 | C11 | C10 | 110.7° | 107.0° |
| C17 | C11 | C12 | 124.4° | 126.5° |
| C8 | C9 | N1 | 130.3° | 133.3° |
| C9 | C8 | C7 | 120.8° | 120.0° |
| C9 | C8 | H8 | 119.6° | 120.0° |
| C9 | N1 | C10 | 107.5° | 109.8° |
| C9 | N1 | HA | 126.2° | 125.1° |
| C8 | C7 | H7 | 120.5° | 119.7° |
| C7 | C8 | H8 | 119.6° | 120.0° |
| C10 | C11 | C12 | 124.9° | 126.5° |
| C11 | C10 | N1 | 107.6° | 110.0° |
| C11 | C10 | H10 | 126.2° | 125.0° |
| C11 | C12 | C16 | 110.3° | 109.5° |
| C11 | C12 | C13 | 114.0° | 109.5° |
| C11 | C12 | H12 | 108.4° | 109.5° |
| C10 | N1 | HA | 126.2° | 125.1° |
| N1 | C10 | H10 | 126.2° | 125.0° |
| C16 | C12 | C13 | 108.5° | 109.2° |
| C12 | C16 | C15 | 107.4° | 109.3° |
| C16 | C12 | H12 | 107.8° | 109.5° |
| C12 | C16 | H161 | 110.0° | 109.5° |
| C12 | C16 | H162 | 110.0° | 109.5° |
| C12 | C13 | C14 | 110.4° | 109.3° |
| C13 | C12 | H12 | 107.7° | 109.6° |
| C12 | C13 | H131 | 109.2° | 109.4° |
| C12 | C13 | H132 | 109.3° | 109.5° |
| C16 | C15 | N2 | 107.6° | 109.5° |
| C15 | C16 | H161 | 110.0° | 109.5° |
| C15 | C16 | H162 | 110.0° | 109.5° |
| C16 | C15 | H151 | 109.9° | 109.5° |
| C16 | C15 | H152 | 109.9° | 109.4° |
| C15 | N2 | C14 | 114.3° | 111.2° |
| N2 | C15 | H151 | 110.0° | 109.5° |
| N2 | C15 | H152 | 109.9° | 109.5° |
| C15 | N2 | HB | 108.2° | 111.0° |
| N2 | C14 | C13 | 107.3° | 109.5° |
| C14 | N2 | HB | 108.3° | 111.0° |
| N2 | C14 | H141 | 110.0° | 109.5° |
| N2 | C14 | H142 | 110.0° | 109.5° |
| C14 | C13 | H131 | 109.2° | 109.5° |
| C14 | C13 | H132 | 109.2° | 109.5° |
| C13 | C14 | H141 | 110.0° | 109.4° |
| C13 | C14 | H142 | 110.0° | 109.4° |
| H41C | C4 | H42C | 109.5° | 109.5° |
| H161 | C16 | H162 | 109.5° | 109.5° |
| H131 | C13 | H132 | 109.4° | 109.5° |
| H151 | C15 | H152 | 109.5° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C5 | C4 | N | 177.7° | 179.7° |
| O | C5 | C4 | C3 | 68.4° | 0.0° |
| O | C5 | N | C6 | 1.0° | 5.3° |
| O | C5 | C4 | H41C | 172.2° | 120.0° |
| O | C5 | C4 | H42C | 51.0° | 120.0° |
| O | C5 | N | H | 178.9° | 174.8° |
| C5 | C4 | C3 | H41C | 119.4° | 120.0° |
| C5 | C4 | C3 | H42C | 119.4° | 120.0° |
| C5 | C4 | C3 | C2 | 83.2° | 90.0° |
| C5 | C4 | C3 | C19 | 98.0° | 90.3° |
| C4 | C5 | N | C6 | 176.5° | 174.4° |
| C5 | C4 | H41C | H42C | 121.8° | 120.0° |
| C4 | C5 | N | H | 3.6° | 5.6° |
| N | C5 | C4 | C3 | 113.9° | 179.7° |
| C5 | N | C6 | H | 180.0° | 180.0° |
| C5 | N | C6 | C18 | 101.7° | 146.7° |
| C5 | N | C6 | C7 | 80.5° | 33.6° |
| N | C5 | C4 | H41C | 5.4° | 59.7° |
| N | C5 | C4 | H42C | 126.7° | 60.3° |
| C4 | C3 | C2 | C19 | 178.8° | 179.7° |
| C4 | C3 | C2 | C1 | 177.1° | 180.0° |
| C4 | C3 | C19 | C20 | 178.3° | 180.0° |
| C3 | C4 | H41C | H42C | 121.8° | 120.0° |
| C4 | C3 | C2 | H2 | 2.9° | 0.0° |
| C4 | C3 | C19 | H19 | 1.7° | 0.0° |
| C3 | C2 | C1 | H2 | 180.0° | 180.0° |
| C3 | C2 | C1 | C | 2.8° | 0.0° |
| C2 | C3 | C19 | C20 | 2.9° | 0.3° |
| C2 | C3 | C4 | H41C | 157.5° | 30.0° |
| C2 | C3 | C4 | H42C | 36.2° | 150.0° |
| C2 | C3 | C19 | H19 | 177.1° | 179.7° |
| C3 | C2 | C1 | H1 | 177.2° | 180.0° |
| C19 | C3 | C2 | C1 | 4.1° | 0.3° |
| C3 | C19 | C20 | H19 | 180.0° | 180.0° |
| C3 | C19 | C20 | C | 0.0° | 0.0° |
| C19 | C3 | C4 | H41C | 21.4° | 149.7° |
| C19 | C3 | C4 | H42C | 142.6° | 29.7° |
| C19 | C3 | C2 | H2 | 175.9° | 179.7° |
| C3 | C19 | C20 | H20 | 180.0° | 180.0° |
| C2 | C1 | C | H1 | 180.0° | 180.0° |
| C2 | C1 | C | C20 | 0.0° | 0.3° |
| C2 | C1 | C | F | 177.5° | 180.0° |
| C1 | C | C20 | C19 | 1.4° | 0.3° |
| C1 | C | C20 | F | 177.7° | 179.7° |
| C | C1 | C2 | H2 | 177.2° | 180.0° |
| C1 | C | C20 | H20 | 178.6° | 179.7° |
| C19 | C20 | C | H20 | 180.0° | 180.0° |
| C19 | C20 | C | F | 179.1° | 180.0° |
| C | C20 | C19 | H19 | 180.0° | 180.0° |
| C20 | C | C1 | H1 | 180.0° | 179.7° |
| F | C | C1 | H1 | 2.5° | 0.1° |
| F | C | C20 | H20 | 0.9° | 0.0° |
| N | C6 | C18 | C7 | 177.8° | 179.8° |
| N | C6 | C18 | C17 | 180.0° | 180.0° |
| N | C6 | C7 | C8 | 177.8° | 179.7° |
| N | C6 | C18 | H18 | 0.0° | 0.1° |
| N | C6 | C7 | H7 | 2.2° | 0.0° |
| C6 | C18 | C17 | H18 | 180.0° | 180.0° |
| C6 | C18 | C17 | C9 | 2.5° | 0.0° |
| C6 | C18 | C17 | C11 | 179.1° | 180.0° |
| C18 | C6 | C7 | C8 | 0.2° | 0.5° |
| C18 | C6 | N | H | 78.3° | 33.4° |
| C18 | C6 | C7 | H7 | 179.9° | 179.7° |
| C7 | C6 | C18 | C17 | 2.2° | 0.2° |
| C6 | C7 | C8 | C9 | 2.2° | 0.5° |
| C6 | C7 | C8 | H7 | 180.0° | 179.8° |
| C7 | C6 | N | H | 99.6° | 146.4° |
| C7 | C6 | C18 | H18 | 177.8° | 179.7° |
| C6 | C7 | C8 | H8 | 177.8° | 179.7° |
| C18 | C17 | C9 | C11 | 177.5° | 180.0° |
| C18 | C17 | C9 | C8 | 0.5° | 0.0° |
| C18 | C17 | C9 | N1 | 178.0° | 180.0° |
| C18 | C17 | C11 | C10 | 177.8° | 180.0° |
| C18 | C17 | C11 | C12 | 1.4° | 0.0° |
| C17 | C9 | C8 | N1 | 178.2° | 180.0° |
| C17 | C9 | C8 | C7 | 1.9° | 0.3° |
| C9 | C17 | C11 | C10 | 0.9° | 0.0° |
| C9 | C17 | C11 | C12 | 178.3° | 180.0° |
| C17 | C9 | N1 | C10 | 0.0° | 0.0° |
| C9 | C17 | C18 | H18 | 177.5° | 180.0° |
| C17 | C9 | C8 | H8 | 178.2° | 180.0° |
| C17 | C9 | N1 | HA | 180.0° | 180.0° |
| C11 | C17 | C9 | C8 | 178.0° | 180.0° |
| C11 | C17 | C9 | N1 | 0.6° | 0.0° |
| C17 | C11 | C10 | C12 | 179.2° | 180.0° |
| C17 | C11 | C10 | N1 | 0.9° | 0.0° |
| C17 | C11 | C12 | C16 | 71.1° | 120.0° |
| C17 | C11 | C12 | C13 | 166.6° | 120.3° |
| C11 | C17 | C18 | H18 | 0.9° | 0.0° |
| C17 | C11 | C10 | H10 | 179.1° | 180.0° |
| C17 | C11 | C12 | H12 | 46.7° | 0.1° |
| C9 | C8 | C7 | H8 | 180.0° | 179.7° |
| C8 | C9 | N1 | C10 | 178.3° | 180.0° |
| C9 | C8 | C7 | H7 | 177.8° | 179.7° |
| C8 | C9 | N1 | HA | 1.7° | 0.0° |
| N1 | C9 | C8 | C7 | 179.9° | 179.8° |
| C9 | N1 | C10 | C11 | 0.6° | 0.0° |
| C9 | N1 | C10 | HA | 180.0° | 180.0° |
| N1 | C9 | C8 | H8 | 0.0° | 0.0° |
| C9 | N1 | C10 | H10 | 179.5° | 180.0° |
| C11 | C10 | N1 | H10 | 180.0° | 180.0° |
| C10 | C11 | C12 | C16 | 109.8° | 60.0° |
| C10 | C11 | C12 | C13 | 12.5° | 59.7° |
| C11 | C10 | N1 | HA | 179.4° | 180.0° |
| C10 | C11 | C12 | H12 | 132.4° | 179.9° |
| C12 | C11 | C10 | N1 | 178.3° | 180.0° |
| C11 | C12 | C16 | C13 | 125.5° | 119.9° |
| C11 | C12 | C16 | H12 | 118.2° | 120.1° |
| C11 | C12 | C13 | H12 | 120.3° | 120.1° |
| C11 | C12 | C16 | C15 | 173.6° | 177.6° |
| C11 | C12 | C13 | C14 | 176.7° | 177.5° |
| C12 | C11 | C10 | H10 | 1.7° | 0.0° |
| C11 | C12 | C16 | H161 | 54.0° | 62.5° |
| C11 | C12 | C16 | H162 | 66.7° | 57.6° |
| C11 | C12 | C13 | H131 | 63.2° | 57.6° |
| C11 | C12 | C13 | H132 | 56.5° | 62.5° |
| C16 | C12 | C13 | H12 | 116.4° | 120.0° |
| C12 | C16 | C15 | H161 | 119.7° | 119.9° |
| C12 | C16 | C15 | H162 | 119.7° | 120.0° |
| C12 | C16 | C15 | N2 | 60.7° | 59.2° |
| C16 | C12 | C13 | C14 | 60.0° | 57.6° |
| C12 | C16 | H161 | H162 | 121.0° | 120.1° |
| C16 | C12 | C13 | H131 | 60.1° | 62.3° |
| C16 | C12 | C13 | H132 | 179.9° | 177.6° |
| C12 | C16 | C15 | H151 | 59.0° | 60.8° |
| C12 | C16 | C15 | H152 | 179.6° | 179.2° |
| C13 | C12 | C16 | C15 | 60.9° | 57.7° |
| C12 | C13 | C14 | N2 | 57.7° | 59.1° |
| C12 | C13 | C14 | H131 | 120.1° | 119.9° |
| C12 | C13 | C14 | H132 | 120.2° | 120.0° |
| C13 | C12 | C16 | H161 | 179.5° | 177.6° |
| C13 | C12 | C16 | H162 | 58.8° | 62.3° |
| C12 | C13 | H131 | H132 | 119.6° | 120.1° |
| C12 | C13 | C14 | H141 | 61.9° | 60.9° |
| C12 | C13 | C14 | H142 | 177.4° | 179.2° |
| C16 | C15 | N2 | H151 | 119.7° | 120.0° |
| C16 | C15 | N2 | H152 | 119.7° | 120.0° |
| C16 | C15 | N2 | C14 | 63.6° | 61.8° |
| C15 | C16 | C12 | H12 | 55.5° | 62.4° |
| C15 | C16 | H161 | H162 | 121.0° | 120.1° |
| C16 | C15 | H151 | H152 | 120.9° | 119.9° |
| C16 | C15 | N2 | HB | 175.7° | 174.1° |
| C15 | N2 | C14 | HB | 120.7° | 124.1° |
| C15 | N2 | C14 | C13 | 60.7° | 61.7° |
| N2 | C15 | C16 | H161 | 179.6° | 179.1° |
| N2 | C15 | C16 | H162 | 59.0° | 60.8° |
| N2 | C15 | H151 | H152 | 120.9° | 120.0° |
| C15 | N2 | C14 | H141 | 58.9° | 58.2° |
| C15 | N2 | C14 | H142 | 179.6° | 178.3° |
| N2 | C14 | C13 | H141 | 119.6° | 120.0° |
| N2 | C14 | C13 | H142 | 119.7° | 120.1° |
| N2 | C14 | C13 | H131 | 62.4° | 60.7° |
| N2 | C14 | C13 | H132 | 177.9° | 179.1° |
| C14 | N2 | C15 | H151 | 56.1° | 58.2° |
| C14 | N2 | C15 | H152 | 176.7° | 178.3° |
| N2 | C14 | H141 | H142 | 121.0° | 120.1° |
| C14 | C13 | C12 | H12 | 56.4° | 62.3° |
| C14 | C13 | H131 | H132 | 119.6° | 120.1° |
| C13 | C14 | N2 | HB | 178.6° | 174.2° |
| C13 | C14 | H141 | H142 | 121.0° | 119.9° |
| H2 | C2 | C1 | H1 | 2.8° | 0.0° |
| H19 | C19 | C20 | H20 | 0.0° | 0.0° |
| H7 | C7 | C8 | H8 | 2.2° | 0.0° |
| HA | N1 | C10 | H10 | 0.5° | 0.0° |
| H12 | C12 | C16 | H161 | 64.2° | 57.6° |
| H12 | C12 | C16 | H162 | 175.1° | 177.7° |
| H12 | C12 | C13 | H131 | 176.5° | 177.8° |
| H12 | C12 | C13 | H132 | 63.8° | 57.6° |
| H161 | C16 | C15 | H151 | 60.7° | 59.1° |
| H161 | C16 | C15 | H152 | 59.9° | 60.9° |
| H162 | C16 | C15 | H151 | 178.7° | 179.2° |
| H162 | C16 | C15 | H152 | 60.7° | 59.3° |
| H131 | C13 | C14 | H141 | 177.9° | 179.2° |
| H131 | C13 | C14 | H142 | 57.2° | 59.3° |
| H132 | C13 | C14 | H141 | 58.3° | 59.1° |
| H132 | C13 | C14 | H142 | 62.5° | 60.8° |
| H151 | C15 | N2 | HB | 64.6° | 65.9° |
| H152 | C15 | N2 | HB | 55.9° | 54.2° |
| HB | N2 | C14 | H141 | 61.8° | 65.8° |
| HB | N2 | C14 | H142 | 58.9° | 54.2° |
