A1H7N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
| C7 | C6 | doub | 1.40Å | 1.39Å | Aromatic |
| C10 | C12 | sing | 1.43Å | 1.44Å | |
| C10 | C11 | doub | 1.40Å | 1.39Å | Aromatic |
| C12 | C13 | trip | 1.17Å | 1.20Å | |
| C6 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.48Å | 1.47Å | |
| C13 | C14 | sing | 1.43Å | 1.42Å | |
| N3 | C14 | doub | 1.33Å | 1.33Å | Aromatic |
| N3 | C17 | sing | 1.32Å | 1.34Å | Aromatic |
| C14 | N2 | sing | 1.33Å | 1.33Å | Aromatic |
| C17 | C16 | doub | 1.39Å | 1.38Å | Aromatic |
| C23 | N5 | doub | 1.32Å | 1.34Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| N5 | C22 | sing | 1.32Å | 1.34Å | Aromatic |
| C24 | C20 | doub | 1.39Å | 1.38Å | Aromatic |
| C5 | N1 | doub | 1.31Å | 1.32Å | Aromatic |
| C5 | N4 | sing | 1.37Å | 1.38Å | Aromatic |
| C22 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C21 | sing | 1.39Å | 1.38Å | Aromatic |
| C20 | N4 | sing | 1.40Å | 1.44Å | |
| N2 | C15 | doub | 1.32Å | 1.34Å | Aromatic |
| N1 | C4 | sing | 1.34Å | 1.38Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.38Å | Aromatic |
| N4 | C18 | sing | 1.37Å | 1.39Å | Aromatic |
| C4 | C18 | doub | 1.34Å | 1.37Å | Aromatic |
| C4 | C3 | sing | 1.51Å | 1.48Å | |
| C18 | C19 | sing | 1.51Å | 1.50Å | |
| C3 | N | sing | 1.47Å | 1.46Å | |
| C19 | N | sing | 1.47Å | 1.46Å | |
| N | C2 | sing | 1.35Å | 1.35Å | |
| C2 | C1 | sing | 1.51Å | 1.51Å | |
| C2 | O | doub | 1.21Å | 1.22Å | |
| C1 | C | sing | 1.53Å | 1.51Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C15 | H9 | sing | 1.08Å | 1.08Å | |
| C16 | H10 | sing | 1.08Å | 1.08Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.08Å | 1.08Å | |
| C22 | H14 | sing | 1.08Å | 1.08Å | |
| C24 | H15 | sing | 1.08Å | 1.08Å | |
| C | H16 | sing | 1.09Å | 1.10Å | |
| C | H17 | sing | 1.09Å | 1.10Å | |
| C | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.08Å | 1.08Å | |
| C17 | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C8 | C7 | 120.2° | 120.3° |
| C8 | C9 | C10 | 120.0° | 120.1° |
| C9 | C8 | H6 | 119.9° | 119.8° |
| C8 | C9 | H7 | 120.0° | 120.0° |
| C8 | C7 | C6 | 120.4° | 120.2° |
| C8 | C7 | H5 | 119.8° | 119.9° |
| C7 | C8 | H6 | 119.9° | 119.8° |
| C9 | C10 | C12 | 120.4° | 120.1° |
| C9 | C10 | C11 | 119.8° | 119.8° |
| C10 | C9 | H7 | 120.0° | 119.9° |
| C7 | C6 | C11 | 119.4° | 119.9° |
| C7 | C6 | C5 | 120.7° | 120.1° |
| C6 | C7 | H5 | 119.8° | 119.9° |
| C12 | C10 | C11 | 119.8° | 120.1° |
| C10 | C12 | C13 | 177.1° | 180.0° |
| C10 | C11 | C6 | 120.2° | 119.7° |
| C10 | C11 | H8 | 119.9° | 120.2° |
| C12 | C13 | C14 | 179.1° | 179.9° |
| C11 | C6 | C5 | 119.9° | 120.0° |
| C6 | C11 | H8 | 119.9° | 120.2° |
| C6 | C5 | N1 | 123.1° | 125.9° |
| C6 | C5 | N4 | 126.1° | 125.8° |
| C13 | C14 | N3 | 115.8° | 119.3° |
| C13 | C14 | N2 | 115.6° | 119.3° |
| C14 | N3 | C17 | 114.2° | 120.7° |
| N3 | C14 | N2 | 128.6° | 121.5° |
| N3 | C17 | C16 | 123.5° | 119.2° |
| N3 | C17 | H20 | 118.3° | 120.4° |
| C14 | N2 | C15 | 114.2° | 120.8° |
| C17 | C16 | C15 | 116.0° | 118.6° |
| C17 | C16 | H10 | 122.0° | 120.7° |
| C16 | C17 | H20 | 118.3° | 120.4° |
| N5 | C23 | C24 | 123.6° | 120.9° |
| C23 | N5 | C22 | 116.9° | 121.9° |
| N5 | C23 | H19 | 118.2° | 119.6° |
| C23 | C24 | C20 | 118.6° | 119.1° |
| C23 | C24 | H15 | 120.7° | 120.5° |
| C24 | C23 | H19 | 118.2° | 119.6° |
| N5 | C22 | C21 | 123.6° | 120.8° |
| N5 | C22 | H14 | 118.2° | 119.6° |
| C24 | C20 | C21 | 118.7° | 118.3° |
| C24 | C20 | N4 | 120.7° | 120.9° |
| C20 | C24 | H15 | 120.7° | 120.5° |
| N1 | C5 | N4 | 110.8° | 108.3° |
| C5 | N1 | C4 | 106.1° | 109.4° |
| C5 | N4 | C20 | 128.0° | 126.6° |
| C5 | N4 | C18 | 107.0° | 106.9° |
| C22 | C21 | C20 | 118.6° | 119.1° |
| C22 | C21 | H13 | 120.7° | 120.5° |
| C21 | C22 | H14 | 118.2° | 119.6° |
| C21 | C20 | N4 | 120.7° | 120.8° |
| C20 | C21 | H13 | 120.7° | 120.5° |
| C20 | N4 | C18 | 125.1° | 126.6° |
| N2 | C15 | C16 | 123.5° | 119.2° |
| N2 | C15 | H9 | 118.2° | 120.4° |
| N1 | C4 | C18 | 110.6° | 108.3° |
| N1 | C4 | C3 | 139.3° | 142.4° |
| C16 | C15 | H9 | 118.3° | 120.4° |
| C15 | C16 | H10 | 122.0° | 120.7° |
| N4 | C18 | C4 | 105.5° | 107.2° |
| N4 | C18 | C19 | 144.5° | 143.2° |
| C18 | C4 | C3 | 110.1° | 109.3° |
| C4 | C18 | C19 | 109.9° | 109.6° |
| C4 | C3 | N | 103.5° | 107.5° |
| C4 | C3 | H3 | 111.0° | 109.8° |
| C4 | C3 | H4 | 110.9° | 109.9° |
| C18 | C19 | N | 103.1° | 107.4° |
| C18 | C19 | H11 | 111.0° | 109.8° |
| C18 | C19 | H12 | 111.0° | 110.0° |
| C3 | N | C19 | 110.0° | 106.3° |
| C3 | N | C2 | 125.0° | 126.9° |
| N | C3 | H3 | 110.9° | 109.9° |
| N | C3 | H4 | 110.9° | 109.9° |
| C19 | N | C2 | 125.0° | 126.8° |
| N | C19 | H11 | 111.0° | 109.8° |
| N | C19 | H12 | 111.1° | 109.9° |
| N | C2 | C1 | 116.3° | 119.9° |
| N | C2 | O | 122.2° | 120.0° |
| C1 | C2 | O | 121.5° | 120.0° |
| C2 | C1 | C | 112.5° | 109.5° |
| C2 | C1 | H1 | 108.7° | 109.5° |
| C2 | C1 | H2 | 108.7° | 109.5° |
| C | C1 | H1 | 108.7° | 109.4° |
| C | C1 | H2 | 108.7° | 109.4° |
| C1 | C | H16 | 109.5° | 109.5° |
| C1 | C | H17 | 109.5° | 109.5° |
| C1 | C | H18 | 109.5° | 109.4° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H3 | C3 | H4 | 109.5° | 109.8° |
| H11 | C19 | H12 | 109.5° | 109.9° |
| H16 | C | H17 | 109.5° | 109.4° |
| H16 | C | H18 | 109.5° | 109.5° |
| H17 | C | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C8 | C7 | H6 | 180.0° | 180.0° |
| C8 | C9 | C10 | H7 | 180.0° | 180.0° |
| C9 | C8 | C7 | C6 | 0.0° | 0.1° |
| C8 | C9 | C10 | C12 | 179.9° | 180.0° |
| C8 | C9 | C10 | C11 | 0.1° | 0.0° |
| C9 | C8 | C7 | H5 | 179.9° | 179.7° |
| C7 | C8 | C9 | C10 | 0.1° | 0.0° |
| C8 | C7 | C6 | H5 | 180.0° | 179.7° |
| C8 | C7 | C6 | C11 | 0.0° | 0.1° |
| C8 | C7 | C6 | C5 | 179.9° | 179.8° |
| C7 | C8 | C9 | H7 | 179.9° | 180.0° |
| C9 | C10 | C12 | C11 | 180.0° | 180.0° |
| C9 | C10 | C12 | C13 | 179.1° | 155.4° |
| C9 | C10 | C11 | C6 | 0.1° | 0.0° |
| C10 | C9 | C8 | H6 | 179.9° | 180.0° |
| C9 | C10 | C11 | H8 | 179.9° | 180.0° |
| C7 | C6 | C11 | C10 | 0.0° | 0.0° |
| C7 | C6 | C11 | C5 | 179.9° | 179.8° |
| C7 | C6 | C5 | N1 | 110.5° | 165.0° |
| C7 | C6 | C5 | N4 | 69.3° | 15.1° |
| C6 | C7 | C8 | H6 | 180.0° | 180.0° |
| C7 | C6 | C11 | H8 | 180.0° | 180.0° |
| C12 | C10 | C11 | C6 | 179.9° | 180.0° |
| C10 | C12 | C13 | C14 | 50.8° | 127.9° |
| C12 | C10 | C9 | H7 | 0.1° | 0.0° |
| C12 | C10 | C11 | H8 | 0.1° | 0.0° |
| C11 | C10 | C12 | C13 | 0.9° | 24.6° |
| C10 | C11 | C6 | H8 | 180.0° | 180.0° |
| C10 | C11 | C6 | C5 | 180.0° | 179.8° |
| C11 | C10 | C9 | H7 | 179.9° | 180.0° |
| C12 | C13 | C14 | N3 | 154.5° | 27.8° |
| C12 | C13 | C14 | N2 | 25.6° | 152.5° |
| C11 | C6 | C5 | N1 | 69.6° | 15.2° |
| C11 | C6 | C5 | N4 | 110.7° | 164.7° |
| C11 | C6 | C7 | H5 | 180.0° | 179.7° |
| C6 | C5 | N1 | N4 | 179.8° | 180.0° |
| C6 | C5 | N4 | C20 | 0.3° | 0.1° |
| C6 | C5 | N1 | C4 | 179.8° | 180.0° |
| C6 | C5 | N4 | C18 | 179.7° | 180.0° |
| C5 | C6 | C7 | H5 | 0.0° | 0.1° |
| C5 | C6 | C11 | H8 | 0.1° | 0.2° |
| C13 | C14 | N3 | N2 | 179.9° | 179.7° |
| C13 | C14 | N3 | C17 | 179.8° | 179.9° |
| C13 | C14 | N2 | C15 | 179.8° | 179.9° |
| C14 | N3 | C17 | C16 | 0.0° | 0.0° |
| N3 | C14 | N2 | C15 | 0.0° | 0.2° |
| C14 | N3 | C17 | H20 | 180.0° | 180.0° |
| C17 | N3 | C14 | N2 | 0.0° | 0.2° |
| N3 | C17 | C16 | H20 | 180.0° | 180.0° |
| N3 | C17 | C16 | C15 | 0.1° | 0.3° |
| N3 | C17 | C16 | H10 | 180.0° | 179.8° |
| C14 | N2 | C15 | C16 | 0.0° | 0.0° |
| C14 | N2 | C15 | H9 | 179.9° | 179.8° |
| C17 | C16 | C15 | N2 | 0.1° | 0.3° |
| C17 | C16 | C15 | H10 | 180.0° | 179.9° |
| C17 | C16 | C15 | H9 | 179.9° | 180.0° |
| N5 | C23 | C24 | H19 | 180.0° | 179.0° |
| N5 | C23 | C24 | C20 | 0.0° | 0.7° |
| C23 | N5 | C22 | C21 | 0.0° | 0.6° |
| C23 | N5 | C22 | H14 | 180.0° | 179.3° |
| N5 | C23 | C24 | H15 | 180.0° | 179.4° |
| C24 | C23 | N5 | C22 | 0.0° | 1.0° |
| C23 | C24 | C20 | H15 | 180.0° | 179.9° |
| C23 | C24 | C20 | C21 | 0.0° | 0.0° |
| C23 | C24 | C20 | N4 | 180.0° | 179.7° |
| N5 | C22 | C21 | H14 | 180.0° | 180.0° |
| N5 | C22 | C21 | C20 | 0.0° | 0.0° |
| N5 | C22 | C21 | H13 | 180.0° | 179.9° |
| C22 | N5 | C23 | H19 | 180.0° | 180.0° |
| C24 | C20 | N4 | C5 | 126.8° | 114.7° |
| C24 | C20 | C21 | C22 | 0.0° | 0.3° |
| C24 | C20 | C21 | N4 | 180.0° | 179.7° |
| C24 | C20 | N4 | C18 | 53.2° | 65.2° |
| C24 | C20 | C21 | H13 | 180.0° | 179.8° |
| C20 | C24 | C23 | H19 | 180.0° | 179.7° |
| N1 | C5 | N4 | C20 | 180.0° | 180.0° |
| N1 | C5 | N4 | C18 | 0.0° | 0.0° |
| C5 | N1 | C4 | C18 | 0.0° | 0.0° |
| C5 | N1 | C4 | C3 | 179.9° | 180.0° |
| C5 | N4 | C20 | C21 | 53.2° | 65.1° |
| C5 | N4 | C20 | C18 | 180.0° | 179.9° |
| N4 | C5 | N1 | C4 | 0.0° | 0.0° |
| C5 | N4 | C18 | C4 | 0.0° | 0.0° |
| C5 | N4 | C18 | C19 | 179.9° | 180.0° |
| C22 | C21 | C20 | H13 | 180.0° | 179.9° |
| C22 | C21 | C20 | N4 | 180.0° | 180.0° |
| C21 | C20 | N4 | C18 | 126.8° | 115.0° |
| C20 | C21 | C22 | H14 | 180.0° | 180.0° |
| C21 | C20 | C24 | H15 | 180.0° | 179.9° |
| C20 | N4 | C18 | C4 | 180.0° | 180.0° |
| C20 | N4 | C18 | C19 | 0.1° | 0.1° |
| N4 | C20 | C21 | H13 | 0.0° | 0.1° |
| N4 | C20 | C24 | H15 | 0.0° | 0.2° |
| N2 | C15 | C16 | H9 | 180.0° | 179.8° |
| N2 | C15 | C16 | H10 | 180.0° | 179.8° |
| N1 | C4 | C18 | N4 | 0.0° | 0.0° |
| N1 | C4 | C18 | C3 | 180.0° | 180.0° |
| N1 | C4 | C18 | C19 | 180.0° | 180.0° |
| N1 | C4 | C3 | N | 169.1° | 180.0° |
| N1 | C4 | C3 | H3 | 71.9° | 60.4° |
| N1 | C4 | C3 | H4 | 50.0° | 60.5° |
| C15 | C16 | C17 | H20 | 180.0° | 179.8° |
| N4 | C18 | C4 | C19 | 180.0° | 180.0° |
| N4 | C18 | C4 | C3 | 180.0° | 180.0° |
| N4 | C18 | C19 | N | 169.1° | 180.0° |
| N4 | C18 | C19 | H11 | 50.1° | 60.7° |
| N4 | C18 | C19 | H12 | 72.0° | 60.4° |
| C18 | C4 | C3 | N | 10.9° | 0.0° |
| C4 | C18 | C19 | N | 10.9° | 0.0° |
| C18 | C4 | C3 | H3 | 108.2° | 119.5° |
| C18 | C4 | C3 | H4 | 129.9° | 119.5° |
| C4 | C18 | C19 | H11 | 129.8° | 119.4° |
| C4 | C18 | C19 | H12 | 108.1° | 119.5° |
| C3 | C4 | C18 | C19 | 0.0° | 0.0° |
| C4 | C3 | N | H3 | 119.1° | 119.5° |
| C4 | C3 | N | H4 | 119.0° | 119.6° |
| C4 | C3 | N | C19 | 18.1° | 0.0° |
| C4 | C3 | N | C2 | 161.9° | 180.0° |
| C4 | C3 | H3 | H4 | 122.8° | 121.0° |
| C18 | C19 | N | C3 | 18.0° | 0.0° |
| C18 | C19 | N | H11 | 119.0° | 119.4° |
| C18 | C19 | N | H12 | 119.0° | 119.6° |
| C18 | C19 | N | C2 | 162.0° | 180.0° |
| C18 | C19 | H11 | H12 | 122.9° | 121.1° |
| C3 | N | C19 | C2 | 179.9° | 180.0° |
| C3 | N | C2 | C1 | 0.0° | 0.0° |
| C3 | N | C2 | O | 179.9° | 180.0° |
| N | C3 | H3 | H4 | 122.7° | 121.0° |
| C3 | N | C19 | H11 | 136.9° | 119.4° |
| C3 | N | C19 | H12 | 101.0° | 119.5° |
| C19 | N | C2 | C1 | 179.9° | 180.0° |
| C19 | N | C2 | O | 0.0° | 0.0° |
| C19 | N | C3 | H3 | 101.0° | 119.5° |
| C19 | N | C3 | H4 | 137.1° | 119.6° |
| N | C19 | H11 | H12 | 123.0° | 121.0° |
| N | C2 | C1 | O | 179.9° | 180.0° |
| N | C2 | C1 | C | 126.0° | 180.0° |
| N | C2 | C1 | H1 | 5.5° | 60.0° |
| N | C2 | C1 | H2 | 113.6° | 60.0° |
| C2 | N | C3 | H3 | 79.1° | 60.5° |
| C2 | N | C3 | H4 | 42.8° | 60.5° |
| C2 | N | C19 | H11 | 43.0° | 60.6° |
| C2 | N | C19 | H12 | 79.1° | 60.4° |
| C2 | C1 | C | H1 | 120.4° | 120.1° |
| C2 | C1 | C | H2 | 120.5° | 120.0° |
| C2 | C1 | H1 | H2 | 118.6° | 120.0° |
| C2 | C1 | C | H16 | 180.0° | 180.0° |
| C2 | C1 | C | H17 | 60.0° | 60.0° |
| C2 | C1 | C | H18 | 60.0° | 60.0° |
| O | C2 | C1 | C | 54.2° | 0.0° |
| O | C2 | C1 | H1 | 174.6° | 120.0° |
| O | C2 | C1 | H2 | 66.3° | 120.0° |
| C | C1 | H1 | H2 | 118.6° | 119.9° |
| C1 | C | H16 | H17 | 120.0° | 120.0° |
| C1 | C | H16 | H18 | 120.0° | 120.0° |
| C1 | C | H17 | H18 | 120.0° | 120.0° |
| H1 | C1 | C | H16 | 59.5° | 60.0° |
| H1 | C1 | C | H17 | 179.6° | 180.0° |
| H1 | C1 | C | H18 | 60.4° | 60.0° |
| H2 | C1 | C | H16 | 59.6° | 60.0° |
| H2 | C1 | C | H17 | 60.5° | 60.0° |
| H2 | C1 | C | H18 | 179.6° | 180.0° |
| H5 | C7 | C8 | H6 | 0.0° | 0.3° |
| H6 | C8 | C9 | H7 | 0.0° | 0.0° |
| H9 | C15 | C16 | H10 | 0.0° | 0.0° |
| H10 | C16 | C17 | H20 | 0.0° | 0.2° |
| H13 | C21 | C22 | H14 | 0.1° | 0.2° |
| H15 | C24 | C23 | H19 | 0.0° | 0.4° |
| H16 | C | H17 | H18 | 120.0° | 120.0° |
