A1L1N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N1 | sing | 1.47Å | 1.46Å | |
| C1 | C5 | sing | 1.53Å | 1.52Å | |
| N1 | C2 | sing | 1.47Å | 1.46Å | |
| N1 | C10 | sing | 1.35Å | 1.45Å | |
| C2 | C3 | sing | 1.51Å | 1.55Å | |
| C3 | C4 | doub | 1.38Å | 1.35Å | Aromatic |
| C3 | C6 | sing | 1.39Å | 1.42Å | Aromatic |
| C4 | C5 | sing | 1.51Å | 1.53Å | |
| C4 | C9 | sing | 1.39Å | 1.42Å | Aromatic |
| C6 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | C13 | sing | 1.48Å | 1.54Å | |
| C8 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.51Å | 1.52Å | |
| C10 | O1 | doub | 1.21Å | 1.18Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | F4 | sing | 1.40Å | 1.36Å | |
| C13 | C14 | doub | 1.39Å | 1.38Å | Aromatic |
| C13 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C19 | sing | 1.51Å | 1.53Å | |
| C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | F1 | sing | 1.40Å | 1.36Å | |
| C19 | F2 | sing | 1.40Å | 1.36Å | |
| C19 | F3 | sing | 1.40Å | 1.36Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.08Å | 1.08Å | |
| C8 | H81 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H123 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C2 | H23 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C9 | H91 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C1 | C5 | 115.3° | 107.9° |
| C1 | N1 | C2 | 118.6° | 117.3° |
| C1 | N1 | C10 | 120.8° | 121.3° |
| N1 | C1 | H11 | 108.0° | 109.7° |
| N1 | C1 | H12 | 108.0° | 109.8° |
| C1 | C5 | C4 | 110.4° | 110.7° |
| C1 | C5 | H52 | 109.2° | 109.3° |
| C1 | C5 | H51 | 109.3° | 109.3° |
| C5 | C1 | H11 | 108.0° | 109.8° |
| C5 | C1 | H12 | 108.0° | 109.8° |
| C2 | N1 | C10 | 120.7° | 121.4° |
| N1 | C2 | C3 | 112.7° | 109.7° |
| N1 | C2 | H23 | 108.7° | 109.4° |
| N1 | C2 | H22 | 108.6° | 109.4° |
| N1 | C10 | C11 | 118.6° | 120.1° |
| N1 | C10 | O1 | 120.5° | 120.0° |
| C2 | C3 | C4 | 120.1° | 122.4° |
| C2 | C3 | C6 | 118.3° | 117.7° |
| C3 | C2 | H23 | 108.7° | 109.4° |
| C3 | C2 | H22 | 108.6° | 109.5° |
| C4 | C3 | C6 | 121.6° | 120.0° |
| C3 | C4 | C5 | 117.1° | 122.9° |
| C3 | C4 | C9 | 120.4° | 119.6° |
| C3 | C6 | C7 | 118.2° | 120.4° |
| C3 | C6 | H61 | 120.9° | 119.8° |
| C5 | C4 | C9 | 122.5° | 117.5° |
| C4 | C5 | H52 | 109.3° | 109.2° |
| C4 | C5 | H51 | 109.2° | 109.2° |
| C4 | C9 | C8 | 118.9° | 120.9° |
| C4 | C9 | H91 | 120.6° | 119.7° |
| C6 | C7 | C8 | 121.1° | 119.5° |
| C6 | C7 | C13 | 118.0° | 120.3° |
| C7 | C6 | H61 | 120.9° | 119.8° |
| C8 | C7 | C13 | 120.9° | 120.3° |
| C7 | C8 | C9 | 119.9° | 119.6° |
| C7 | C8 | H81 | 120.1° | 120.1° |
| C7 | C13 | C14 | 118.6° | 120.1° |
| C7 | C13 | C18 | 120.2° | 120.1° |
| C9 | C8 | H81 | 120.0° | 120.2° |
| C8 | C9 | H91 | 120.6° | 119.5° |
| C11 | C10 | O1 | 120.9° | 120.0° |
| C10 | C11 | C12 | 108.0° | 109.5° |
| C10 | C11 | F4 | 108.1° | 109.5° |
| C10 | C11 | H111 | 109.9° | 109.4° |
| C12 | C11 | F4 | 108.8° | 109.5° |
| C12 | C11 | H111 | 109.7° | 109.4° |
| C11 | C12 | H122 | 109.5° | 109.4° |
| C11 | C12 | H123 | 109.5° | 109.4° |
| C11 | C12 | H121 | 109.5° | 109.5° |
| F4 | C11 | H111 | 112.3° | 109.5° |
| C14 | C13 | C18 | 121.2° | 119.8° |
| C13 | C14 | C15 | 119.5° | 119.9° |
| C13 | C14 | H141 | 120.2° | 120.1° |
| C13 | C18 | C17 | 119.1° | 119.9° |
| C13 | C18 | H181 | 120.4° | 120.1° |
| C14 | C15 | C16 | 119.4° | 120.1° |
| C14 | C15 | H151 | 120.3° | 119.9° |
| C15 | C14 | H141 | 120.2° | 120.1° |
| C15 | C16 | C17 | 120.9° | 120.3° |
| C15 | C16 | C19 | 119.4° | 119.9° |
| C16 | C15 | H151 | 120.3° | 120.0° |
| C17 | C16 | C19 | 119.7° | 119.9° |
| C16 | C17 | C18 | 119.8° | 120.1° |
| C16 | C17 | H171 | 120.1° | 119.9° |
| C16 | C19 | F1 | 109.2° | 109.5° |
| C16 | C19 | F2 | 109.2° | 109.5° |
| C16 | C19 | F3 | 109.3° | 109.5° |
| C18 | C17 | H171 | 120.1° | 120.0° |
| C17 | C18 | H181 | 120.4° | 120.0° |
| F1 | C19 | F2 | 109.5° | 109.5° |
| F1 | C19 | F3 | 109.6° | 109.5° |
| F2 | C19 | F3 | 110.0° | 109.4° |
| H52 | C5 | H51 | 109.5° | 109.2° |
| H11 | C1 | H12 | 109.5° | 109.8° |
| H122 | C12 | H123 | 109.4° | 109.5° |
| H122 | C12 | H121 | 109.4° | 109.5° |
| H123 | C12 | H121 | 109.5° | 109.5° |
| H23 | C2 | H22 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | C5 | H11 | 120.8° | 119.5° |
| N1 | C1 | C5 | H12 | 120.8° | 119.7° |
| C1 | N1 | C2 | C10 | 180.0° | 179.7° |
| C1 | N1 | C2 | C3 | 26.4° | 44.0° |
| N1 | C1 | C5 | C4 | 49.0° | 47.9° |
| C1 | N1 | C10 | C11 | 0.2° | 4.8° |
| C1 | N1 | C10 | O1 | 179.7° | 175.1° |
| N1 | C1 | C5 | H52 | 169.1° | 72.4° |
| N1 | C1 | C5 | H51 | 71.2° | 168.1° |
| N1 | C1 | H11 | H12 | 117.3° | 120.8° |
| C1 | N1 | C2 | H23 | 94.1° | 164.1° |
| C1 | N1 | C2 | H22 | 146.8° | 76.0° |
| C5 | C1 | N1 | C2 | 14.8° | 64.4° |
| C5 | C1 | N1 | C10 | 165.2° | 115.3° |
| C1 | C5 | C4 | C3 | 41.0° | 20.4° |
| C1 | C5 | C4 | H52 | 120.1° | 120.4° |
| C1 | C5 | C4 | H51 | 120.2° | 120.3° |
| C1 | C5 | C4 | C9 | 138.6° | 160.4° |
| C1 | C5 | H52 | H51 | 119.6° | 119.5° |
| C5 | C1 | H11 | H12 | 117.4° | 120.8° |
| N1 | C2 | C3 | H23 | 120.5° | 120.0° |
| N1 | C2 | C3 | H22 | 120.5° | 120.0° |
| N1 | C2 | C3 | C4 | 35.6° | 11.1° |
| N1 | C2 | C3 | C6 | 144.7° | 169.0° |
| C2 | N1 | C10 | C11 | 179.8° | 174.8° |
| C2 | N1 | C10 | O1 | 0.3° | 5.3° |
| C2 | N1 | C1 | H11 | 106.0° | 55.2° |
| C2 | N1 | C1 | H12 | 135.7° | 176.0° |
| N1 | C2 | H23 | H22 | 118.5° | 119.8° |
| C10 | N1 | C2 | C3 | 153.6° | 135.6° |
| N1 | C10 | C11 | O1 | 179.5° | 179.9° |
| N1 | C10 | C11 | C12 | 132.7° | 85.3° |
| N1 | C10 | C11 | F4 | 15.1° | 154.7° |
| C10 | N1 | C1 | H11 | 74.0° | 125.1° |
| C10 | N1 | C1 | H12 | 44.3° | 4.3° |
| N1 | C10 | C11 | H111 | 107.7° | 34.6° |
| C10 | N1 | C2 | H23 | 85.9° | 15.6° |
| C10 | N1 | C2 | H22 | 33.2° | 104.3° |
| C2 | C3 | C4 | C6 | 179.7° | 179.9° |
| C2 | C3 | C4 | C5 | 0.6° | 1.3° |
| C2 | C3 | C4 | C9 | 179.9° | 179.6° |
| C2 | C3 | C6 | C7 | 179.4° | 179.5° |
| C2 | C3 | C6 | H61 | 0.6° | 0.4° |
| C3 | C2 | H23 | H22 | 118.5° | 119.9° |
| C3 | C4 | C5 | C9 | 179.6° | 179.2° |
| C4 | C3 | C6 | C7 | 0.3° | 0.4° |
| C3 | C4 | C9 | C8 | 0.0° | 0.1° |
| C3 | C4 | C5 | H52 | 161.1° | 99.9° |
| C3 | C4 | C5 | H51 | 79.2° | 140.7° |
| C4 | C3 | C6 | H61 | 179.7° | 179.7° |
| C4 | C3 | C2 | H23 | 84.9° | 131.1° |
| C4 | C3 | C2 | H22 | 156.0° | 109.0° |
| C3 | C4 | C9 | H91 | 180.0° | 179.6° |
| C6 | C3 | C4 | C5 | 179.7° | 178.8° |
| C6 | C3 | C4 | C9 | 0.1° | 0.3° |
| C3 | C6 | C7 | H61 | 180.0° | 180.0° |
| C3 | C6 | C7 | C8 | 0.8° | 0.0° |
| C3 | C6 | C7 | C13 | 179.1° | 180.0° |
| C6 | C3 | C2 | H23 | 94.8° | 49.0° |
| C6 | C3 | C2 | H22 | 24.2° | 70.9° |
| C5 | C4 | C9 | C8 | 179.6° | 179.3° |
| C4 | C5 | H52 | H51 | 119.6° | 119.3° |
| C4 | C5 | C1 | H11 | 71.9° | 71.7° |
| C4 | C5 | C1 | H12 | 169.8° | 167.6° |
| C5 | C4 | C9 | H91 | 0.4° | 0.4° |
| C4 | C9 | C8 | C7 | 0.5° | 0.5° |
| C4 | C9 | C8 | H91 | 180.0° | 179.7° |
| C9 | C4 | C5 | H52 | 18.5° | 79.3° |
| C9 | C4 | C5 | H51 | 101.2° | 40.1° |
| C4 | C9 | C8 | H81 | 179.5° | 179.8° |
| C6 | C7 | C8 | C13 | 178.2° | 180.0° |
| C6 | C7 | C8 | C9 | 1.0° | 0.4° |
| C6 | C7 | C13 | C14 | 139.0° | 180.0° |
| C6 | C7 | C13 | C18 | 38.7° | 0.2° |
| C6 | C7 | C8 | H81 | 179.0° | 179.8° |
| C7 | C8 | C9 | H81 | 180.0° | 179.8° |
| C8 | C7 | C13 | C14 | 39.2° | 0.0° |
| C8 | C7 | C13 | C18 | 143.1° | 179.8° |
| C8 | C7 | C6 | H61 | 179.1° | 180.0° |
| C7 | C8 | C9 | H91 | 179.5° | 179.2° |
| C13 | C7 | C8 | C9 | 179.1° | 179.6° |
| C7 | C13 | C14 | C18 | 177.7° | 179.8° |
| C7 | C13 | C14 | C15 | 178.9° | 180.0° |
| C7 | C13 | C18 | C17 | 178.8° | 180.0° |
| C13 | C7 | C6 | H61 | 0.9° | 0.0° |
| C13 | C7 | C8 | H81 | 0.9° | 0.2° |
| C7 | C13 | C14 | H141 | 1.1° | 0.0° |
| C7 | C13 | C18 | H181 | 1.2° | 0.1° |
| C10 | C11 | C12 | F4 | 117.1° | 120.1° |
| C10 | C11 | C12 | H111 | 119.7° | 119.9° |
| C10 | C11 | F4 | H111 | 121.4° | 120.0° |
| C10 | C11 | C12 | H122 | 180.0° | 60.1° |
| C10 | C11 | C12 | H123 | 60.0° | 180.0° |
| C10 | C11 | C12 | H121 | 60.0° | 60.0° |
| O1 | C10 | C11 | C12 | 46.8° | 94.6° |
| O1 | C10 | C11 | F4 | 164.4° | 25.4° |
| O1 | C10 | C11 | H111 | 72.8° | 145.5° |
| C12 | C11 | F4 | H111 | 121.6° | 120.0° |
| C11 | C12 | H122 | H123 | 120.0° | 119.9° |
| C11 | C12 | H122 | H121 | 120.0° | 120.0° |
| C11 | C12 | H123 | H121 | 120.0° | 120.0° |
| F4 | C11 | C12 | H122 | 62.9° | 60.0° |
| F4 | C11 | C12 | H123 | 177.1° | 60.0° |
| F4 | C11 | C12 | H121 | 57.1° | 180.0° |
| C13 | C14 | C15 | H141 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.5° | 0.0° |
| C14 | C13 | C18 | C17 | 1.2° | 0.2° |
| C13 | C14 | C15 | H151 | 179.5° | 179.7° |
| C14 | C13 | C18 | H181 | 178.8° | 179.7° |
| C18 | C13 | C14 | C15 | 1.2° | 0.2° |
| C13 | C18 | C17 | C16 | 0.5° | 0.1° |
| C13 | C18 | C17 | H181 | 180.0° | 179.8° |
| C13 | C18 | C17 | H171 | 179.5° | 180.0° |
| C18 | C13 | C14 | H141 | 178.9° | 179.8° |
| C14 | C15 | C16 | H151 | 180.0° | 179.7° |
| C14 | C15 | C16 | C17 | 0.1° | 0.3° |
| C14 | C15 | C16 | C19 | 180.0° | 179.7° |
| C15 | C16 | C17 | C19 | 179.9° | 180.0° |
| C15 | C16 | C17 | C18 | 0.2° | 0.3° |
| C15 | C16 | C19 | F1 | 144.3° | 90.0° |
| C15 | C16 | C19 | F2 | 24.5° | 150.0° |
| C15 | C16 | C19 | F3 | 95.9° | 30.0° |
| C15 | C16 | C17 | H171 | 179.9° | 179.8° |
| C16 | C15 | C14 | H141 | 179.5° | 180.0° |
| C16 | C17 | C18 | H171 | 180.0° | 179.9° |
| C17 | C16 | C19 | F1 | 35.6° | 90.0° |
| C17 | C16 | C19 | F2 | 155.4° | 30.0° |
| C17 | C16 | C19 | F3 | 84.2° | 150.0° |
| C17 | C16 | C15 | H151 | 179.9° | 180.0° |
| C16 | C17 | C18 | H181 | 179.5° | 179.9° |
| C19 | C16 | C17 | C18 | 180.0° | 179.7° |
| C16 | C19 | F1 | F2 | 119.5° | 120.0° |
| C16 | C19 | F1 | F3 | 119.7° | 120.0° |
| C16 | C19 | F2 | F3 | 120.0° | 120.0° |
| C19 | C16 | C15 | H151 | 0.0° | 0.0° |
| C19 | C16 | C17 | H171 | 0.0° | 0.3° |
| F1 | C19 | F2 | F3 | 120.5° | 120.0° |
| H52 | C5 | C1 | H11 | 48.3° | 168.0° |
| H52 | C5 | C1 | H12 | 70.1° | 47.3° |
| H51 | C5 | C1 | H11 | 168.0° | 48.6° |
| H51 | C5 | C1 | H12 | 49.7° | 72.2° |
| H81 | C8 | C9 | H91 | 0.5° | 0.5° |
| H151 | C15 | C14 | H141 | 0.5° | 0.3° |
| H171 | C17 | C18 | H181 | 0.5° | 0.2° |
| H111 | C11 | C12 | H122 | 60.3° | 180.0° |
| H111 | C11 | C12 | H123 | 59.7° | 60.0° |
| H111 | C11 | C12 | H121 | 179.7° | 59.9° |
| H122 | C12 | H123 | H121 | 120.0° | 120.1° |
