A1AH8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | N3 | sing | 1.46Å | 1.48Å | |
| C12 | N4 | sing | 1.47Å | 1.47Å | |
| C13 | N4 | sing | 1.49Å | 1.48Å | |
| C13 | C14 | sing | 1.55Å | 1.52Å | |
| N2 | N3 | sing | 1.29Å | 1.36Å | Aromatic |
| N2 | N1 | doub | 1.29Å | 1.30Å | Aromatic |
| N3 | C9 | sing | 1.37Å | 1.37Å | Aromatic |
| N4 | C15 | sing | 1.48Å | 1.46Å | |
| N1 | C10 | sing | 1.35Å | 1.37Å | Aromatic |
| C14 | N5 | sing | 1.48Å | 1.47Å | |
| C15 | N5 | sing | 1.48Å | 1.47Å | |
| C9 | C10 | doub | 1.41Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.40Å | Aromatic |
| C8 | C7 | doub | 1.37Å | 1.38Å | Aromatic |
| C11 | C6 | doub | 1.39Å | 1.37Å | Aromatic |
| C7 | C6 | sing | 1.40Å | 1.42Å | Aromatic |
| C6 | C5 | sing | 1.48Å | 1.47Å | |
| C5 | C16 | doub | 1.35Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.47Å | 1.44Å | Aromatic |
| C16 | N6 | sing | 1.37Å | 1.36Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | C17 | doub | 1.40Å | 1.41Å | Aromatic |
| C3 | C2 | doub | 1.37Å | 1.38Å | Aromatic |
| N6 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | C1 | doub | 1.38Å | 1.37Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| N5 | H14 | sing | 1.01Å | 1.00Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.08Å | 1.08Å | |
| N6 | H19 | sing | 0.97Å | 1.00Å | |
| C18 | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N3 | C12 | N4 | 116.4° | 109.5° |
| C12 | N3 | N2 | 119.8° | 125.8° |
| C12 | N3 | C9 | 130.2° | 125.9° |
| N3 | C12 | H7 | 107.7° | 109.5° |
| N3 | C12 | H8 | 107.7° | 109.5° |
| C12 | N4 | C13 | 116.8° | 111.0° |
| C12 | N4 | C15 | 114.5° | 111.0° |
| N4 | C12 | H7 | 107.7° | 109.5° |
| N4 | C12 | H8 | 107.7° | 109.4° |
| N4 | C13 | C14 | 105.1° | 102.1° |
| C13 | N4 | C15 | 103.3° | 104.6° |
| N4 | C13 | H10 | 110.5° | 110.9° |
| N4 | C13 | H11 | 110.5° | 110.9° |
| C13 | C14 | N5 | 104.0° | 103.5° |
| C14 | C13 | H10 | 110.5° | 110.8° |
| C14 | C13 | H11 | 110.6° | 110.9° |
| C13 | C14 | H12 | 110.8° | 110.6° |
| C13 | C14 | H13 | 110.8° | 110.6° |
| N3 | N2 | N1 | 109.1° | 111.8° |
| N2 | N3 | C9 | 110.0° | 108.3° |
| N2 | N1 | C10 | 108.2° | 109.1° |
| N3 | C9 | C10 | 103.9° | 105.3° |
| N3 | C9 | C8 | 134.3° | 134.7° |
| N4 | C15 | N5 | 101.6° | 107.9° |
| N4 | C15 | H16 | 111.4° | 109.8° |
| N4 | C15 | H17 | 111.4° | 109.8° |
| N1 | C10 | C9 | 108.8° | 105.6° |
| N1 | C10 | C11 | 131.3° | 134.8° |
| C14 | N5 | C15 | 107.1° | 107.0° |
| N5 | C14 | H12 | 110.8° | 110.6° |
| N5 | C14 | H13 | 110.8° | 110.7° |
| C14 | N5 | H14 | 110.1° | 111.0° |
| C15 | N5 | H14 | 110.1° | 111.1° |
| N5 | C15 | H16 | 111.4° | 109.8° |
| N5 | C15 | H17 | 111.4° | 109.7° |
| C10 | C9 | C8 | 121.7° | 120.0° |
| C9 | C10 | C11 | 120.0° | 119.7° |
| C9 | C8 | C7 | 117.4° | 120.0° |
| C9 | C8 | H5 | 121.3° | 120.0° |
| C10 | C11 | C6 | 119.3° | 119.4° |
| C10 | C11 | H6 | 120.3° | 120.3° |
| C8 | C7 | C6 | 121.8° | 120.6° |
| C8 | C7 | H4 | 119.1° | 119.6° |
| C7 | C8 | H5 | 121.3° | 120.0° |
| C11 | C6 | C7 | 119.7° | 120.3° |
| C11 | C6 | C5 | 120.2° | 119.8° |
| C6 | C11 | H6 | 120.3° | 120.3° |
| C7 | C6 | C5 | 120.0° | 119.9° |
| C6 | C7 | H4 | 119.1° | 119.7° |
| C6 | C5 | C16 | 128.5° | 126.7° |
| C6 | C5 | C4 | 125.4° | 126.6° |
| C16 | C5 | C4 | 105.9° | 106.7° |
| C5 | C16 | N6 | 110.5° | 109.8° |
| C5 | C16 | H18 | 124.7° | 125.1° |
| C5 | C4 | C3 | 134.8° | 134.0° |
| C5 | C4 | C17 | 106.7° | 106.0° |
| C16 | N6 | C17 | 109.0° | 110.1° |
| N6 | C16 | H18 | 124.7° | 125.1° |
| C16 | N6 | H19 | 125.5° | 125.0° |
| C3 | C4 | C17 | 118.5° | 120.1° |
| C4 | C3 | C2 | 119.1° | 119.8° |
| C4 | C3 | H3 | 120.4° | 120.1° |
| C4 | C17 | N6 | 107.8° | 107.4° |
| C4 | C17 | C18 | 122.1° | 119.2° |
| C3 | C2 | C1 | 121.0° | 120.5° |
| C3 | C2 | H2 | 119.5° | 119.8° |
| C2 | C3 | H3 | 120.4° | 120.1° |
| N6 | C17 | C18 | 130.1° | 133.3° |
| C17 | N6 | H19 | 125.5° | 124.9° |
| C17 | C18 | C1 | 117.5° | 119.8° |
| C17 | C18 | H20 | 121.3° | 120.1° |
| C2 | C1 | C18 | 121.6° | 120.6° |
| C2 | C1 | H1 | 119.2° | 119.7° |
| C1 | C2 | H2 | 119.5° | 119.8° |
| C18 | C1 | H1 | 119.2° | 119.6° |
| C1 | C18 | H20 | 121.3° | 120.1° |
| H7 | C12 | H8 | 109.5° | 109.4° |
| H10 | C13 | H11 | 109.5° | 110.9° |
| H12 | C14 | H13 | 109.4° | 110.6° |
| H16 | C15 | H17 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N3 | C12 | N4 | H7 | 121.0° | 120.0° |
| N3 | C12 | N4 | H8 | 121.0° | 120.0° |
| N3 | C12 | N4 | C13 | 170.4° | 174.3° |
| C12 | N3 | N2 | C9 | 179.0° | 179.6° |
| C12 | N3 | N2 | N1 | 179.1° | 180.0° |
| N3 | C12 | N4 | C15 | 68.6° | 69.9° |
| C12 | N3 | C9 | C10 | 178.9° | 180.0° |
| C12 | N3 | C9 | C8 | 0.4° | 0.4° |
| N3 | C12 | H7 | H8 | 116.9° | 120.0° |
| C12 | N4 | C13 | C15 | 126.7° | 119.7° |
| C12 | N4 | C13 | C14 | 160.3° | 156.7° |
| N4 | C12 | N3 | N2 | 151.4° | 89.9° |
| N4 | C12 | N3 | C9 | 27.4° | 90.5° |
| C12 | N4 | C15 | N5 | 171.4° | 143.8° |
| N4 | C12 | H7 | H8 | 116.8° | 119.9° |
| C12 | N4 | C13 | H10 | 80.4° | 85.2° |
| C12 | N4 | C13 | H11 | 40.9° | 38.4° |
| C12 | N4 | C15 | H16 | 52.7° | 24.2° |
| C12 | N4 | C15 | H17 | 69.9° | 96.6° |
| N4 | C13 | C14 | H10 | 119.3° | 118.1° |
| N4 | C13 | C14 | H11 | 119.3° | 118.2° |
| N4 | C13 | C14 | N5 | 10.4° | 36.6° |
| C13 | N4 | C15 | N5 | 43.3° | 24.1° |
| C13 | N4 | C12 | H7 | 49.4° | 54.2° |
| C13 | N4 | C12 | H8 | 68.6° | 65.7° |
| N4 | C13 | H10 | H11 | 122.0° | 123.7° |
| N4 | C13 | C14 | H12 | 108.8° | 82.0° |
| N4 | C13 | C14 | H13 | 129.5° | 155.1° |
| C13 | N4 | C15 | H16 | 75.4° | 95.5° |
| C13 | N4 | C15 | H17 | 162.0° | 143.6° |
| C14 | C13 | N4 | C15 | 33.6° | 36.9° |
| C13 | C14 | N5 | H12 | 119.1° | 118.5° |
| C13 | C14 | N5 | H13 | 119.1° | 118.5° |
| C13 | C14 | N5 | C15 | 16.6° | 22.3° |
| C14 | C13 | H10 | H11 | 122.0° | 123.6° |
| C13 | C14 | H12 | H13 | 122.5° | 122.9° |
| C13 | C14 | N5 | H14 | 103.0° | 143.6° |
| N3 | N2 | N1 | C10 | 0.1° | 0.2° |
| N2 | N3 | C9 | C10 | 0.0° | 0.4° |
| N2 | N3 | C9 | C8 | 179.3° | 180.0° |
| N2 | N3 | C12 | H7 | 87.6° | 150.0° |
| N2 | N3 | C12 | H8 | 30.5° | 30.0° |
| N1 | N2 | N3 | C9 | 0.0° | 0.4° |
| N2 | N1 | C10 | C9 | 0.1° | 0.0° |
| N2 | N1 | C10 | C11 | 179.8° | 179.7° |
| N3 | C9 | C10 | N1 | 0.1° | 0.2° |
| N3 | C9 | C10 | C8 | 179.4° | 179.7° |
| N3 | C9 | C10 | C11 | 179.9° | 180.0° |
| N3 | C9 | C8 | C7 | 178.9° | 179.7° |
| N3 | C9 | C8 | H5 | 1.0° | 0.4° |
| C9 | N3 | C12 | H7 | 93.6° | 29.5° |
| C9 | N3 | C12 | H8 | 148.4° | 149.5° |
| N4 | C15 | N5 | C14 | 37.5° | 0.4° |
| N4 | C15 | N5 | H16 | 118.7° | 119.6° |
| N4 | C15 | N5 | H17 | 118.7° | 119.6° |
| C15 | N4 | C12 | H7 | 170.3° | 170.1° |
| C15 | N4 | C12 | H8 | 52.3° | 50.2° |
| C15 | N4 | C13 | H10 | 152.9° | 155.0° |
| C15 | N4 | C13 | H11 | 85.7° | 81.3° |
| N4 | C15 | N5 | H14 | 82.1° | 120.9° |
| N4 | C15 | H16 | H17 | 123.6° | 120.9° |
| N1 | C10 | C9 | C11 | 180.0° | 179.7° |
| N1 | C10 | C9 | C8 | 179.5° | 180.0° |
| N1 | C10 | C11 | C6 | 179.6° | 179.8° |
| N1 | C10 | C11 | H6 | 0.4° | 0.3° |
| C14 | N5 | C15 | H14 | 119.7° | 121.3° |
| N5 | C14 | C13 | H10 | 129.7° | 154.7° |
| N5 | C14 | C13 | H11 | 108.9° | 81.7° |
| N5 | C14 | H12 | H13 | 122.5° | 123.0° |
| C14 | N5 | C15 | H16 | 81.2° | 119.2° |
| C14 | N5 | C15 | H17 | 156.2° | 120.0° |
| C15 | N5 | C14 | H12 | 135.8° | 96.2° |
| C15 | N5 | C14 | H13 | 102.5° | 140.8° |
| N5 | C15 | H16 | H17 | 123.6° | 120.7° |
| C10 | C9 | C8 | C7 | 0.2° | 0.1° |
| C9 | C10 | C11 | C6 | 0.5° | 0.5° |
| C10 | C9 | C8 | H5 | 179.8° | 180.0° |
| C9 | C10 | C11 | H6 | 179.5° | 179.9° |
| C8 | C9 | C10 | C11 | 0.5° | 0.3° |
| C9 | C8 | C7 | H5 | 180.0° | 179.9° |
| C9 | C8 | C7 | C6 | 1.9° | 0.1° |
| C9 | C8 | C7 | H4 | 178.2° | 180.0° |
| C10 | C11 | C6 | H6 | 180.0° | 179.5° |
| C10 | C11 | C6 | C7 | 2.1° | 0.5° |
| C10 | C11 | C6 | C5 | 178.4° | 179.7° |
| C8 | C7 | C6 | C11 | 2.8° | 0.3° |
| C8 | C7 | C6 | H4 | 180.0° | 179.9° |
| C8 | C7 | C6 | C5 | 179.2° | 180.0° |
| C11 | C6 | C7 | C5 | 176.3° | 179.8° |
| C11 | C6 | C5 | C16 | 128.5° | 50.2° |
| C11 | C6 | C5 | C4 | 55.6° | 129.8° |
| C11 | C6 | C7 | H4 | 177.2° | 179.8° |
| C7 | C6 | C5 | C16 | 55.2° | 130.0° |
| C7 | C6 | C5 | C4 | 120.8° | 50.0° |
| C6 | C7 | C8 | H5 | 178.2° | 180.0° |
| C7 | C6 | C11 | H6 | 178.0° | 180.0° |
| C6 | C5 | C16 | C4 | 176.6° | 180.0° |
| C6 | C5 | C16 | N6 | 178.9° | 180.0° |
| C6 | C5 | C4 | C3 | 2.2° | 0.0° |
| C6 | C5 | C4 | C17 | 178.2° | 180.0° |
| C5 | C6 | C7 | H4 | 0.9° | 0.1° |
| C5 | C6 | C11 | H6 | 1.6° | 0.2° |
| C6 | C5 | C16 | H18 | 1.1° | 0.0° |
| C5 | C16 | N6 | H18 | 180.0° | 180.0° |
| C16 | C5 | C4 | C3 | 178.9° | 180.0° |
| C16 | C5 | C4 | C17 | 1.5° | 0.0° |
| C5 | C16 | N6 | C17 | 2.4° | 0.0° |
| C5 | C16 | N6 | H19 | 177.6° | 180.0° |
| C4 | C5 | C16 | N6 | 2.4° | 0.0° |
| C5 | C4 | C3 | C17 | 179.6° | 179.9° |
| C5 | C4 | C3 | C2 | 179.2° | 180.0° |
| C5 | C4 | C17 | N6 | 0.1° | 0.0° |
| C5 | C4 | C17 | C18 | 179.8° | 179.7° |
| C5 | C4 | C3 | H3 | 0.8° | 0.1° |
| C4 | C5 | C16 | H18 | 177.7° | 180.0° |
| C16 | N6 | C17 | C4 | 1.3° | 0.0° |
| C16 | N6 | C17 | H19 | 180.0° | 180.0° |
| C16 | N6 | C17 | C18 | 178.7° | 179.7° |
| C4 | C3 | C2 | H3 | 180.0° | 179.9° |
| C3 | C4 | C17 | N6 | 179.8° | 180.0° |
| C3 | C4 | C17 | C18 | 0.1° | 0.2° |
| C4 | C3 | C2 | C1 | 0.6° | 0.0° |
| C4 | C3 | C2 | H2 | 179.4° | 179.9° |
| C17 | C4 | C3 | C2 | 1.2° | 0.0° |
| C4 | C17 | N6 | C18 | 180.0° | 179.7° |
| C4 | C17 | C18 | C1 | 1.5° | 0.5° |
| C17 | C4 | C3 | H3 | 178.8° | 180.0° |
| C4 | C17 | N6 | H19 | 178.7° | 180.0° |
| C4 | C17 | C18 | H20 | 178.5° | 180.0° |
| C3 | C2 | C1 | H2 | 180.0° | 180.0° |
| C3 | C2 | C1 | C18 | 1.1° | 0.3° |
| C3 | C2 | C1 | H1 | 178.9° | 180.0° |
| N6 | C17 | C18 | C1 | 178.5° | 179.8° |
| C17 | N6 | C16 | H18 | 177.7° | 180.0° |
| N6 | C17 | C18 | H20 | 1.5° | 0.3° |
| C17 | C18 | C1 | C2 | 2.2° | 0.5° |
| C17 | C18 | C1 | H20 | 180.0° | 179.6° |
| C17 | C18 | C1 | H1 | 177.8° | 179.8° |
| C18 | C17 | N6 | H19 | 1.3° | 0.3° |
| C2 | C1 | C18 | H1 | 180.0° | 179.7° |
| C1 | C2 | C3 | H3 | 179.4° | 179.9° |
| C2 | C1 | C18 | H20 | 177.8° | 179.9° |
| C18 | C1 | C2 | H2 | 178.9° | 179.8° |
| H1 | C1 | C2 | H2 | 1.1° | 0.0° |
| H1 | C1 | C18 | H20 | 2.2° | 0.2° |
| H2 | C2 | C3 | H3 | 0.6° | 0.0° |
| H4 | C7 | C8 | H5 | 1.8° | 0.1° |
| H10 | C13 | C14 | H12 | 10.5° | 36.2° |
| H10 | C13 | C14 | H13 | 111.2° | 86.8° |
| H11 | C13 | C14 | H12 | 132.0° | 159.8° |
| H11 | C13 | C14 | H13 | 10.2° | 36.9° |
| H12 | C14 | N5 | H14 | 16.1° | 25.1° |
| H13 | C14 | N5 | H14 | 137.9° | 97.8° |
| H14 | N5 | C15 | H16 | 159.1° | 119.5° |
| H14 | N5 | C15 | H17 | 36.6° | 1.3° |
| H18 | C16 | N6 | H19 | 2.4° | 0.0° |
