A7M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C6 | sing | 1.51Å | 1.53Å | |
| C5 | C6 | doub | 1.38Å | 1.41Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C1 | sing | 1.38Å | 1.41Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C7 | sing | 1.51Å | 1.52Å | |
| C1 | C2 | doub | 1.38Å | 1.36Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | C21 | sing | 1.51Å | 1.50Å | |
| C7 | N10 | sing | 1.47Å | 1.46Å | |
| C20 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | N10 | sing | 1.38Å | 1.31Å | Aromatic |
| C11 | C12 | doub | 1.41Å | 1.39Å | Aromatic |
| N10 | C14 | sing | 1.36Å | 1.33Å | Aromatic |
| C18 | C17 | doub | 1.37Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.51Å | 1.49Å | |
| C14 | N13 | doub | 1.30Å | 1.36Å | Aromatic |
| C12 | C17 | sing | 1.40Å | 1.38Å | Aromatic |
| C12 | N13 | sing | 1.36Å | 1.35Å | Aromatic |
| C15 | O16 | sing | 1.43Å | 1.41Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.08Å | 1.08Å | |
| C18 | H10 | sing | 1.08Å | 1.08Å | |
| C19 | H11 | sing | 1.08Å | 1.08Å | |
| C20 | H12 | sing | 1.08Å | 1.08Å | |
| O16 | H13 | sing | 0.97Å | 0.95Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C6 | C5 | 121.2° | 120.0° |
| C9 | C6 | C1 | 118.2° | 120.0° |
| C6 | C9 | H6 | 109.5° | 109.5° |
| C6 | C9 | H7 | 109.5° | 109.4° |
| C6 | C9 | H8 | 109.5° | 109.4° |
| C6 | C5 | C4 | 119.4° | 120.0° |
| C5 | C6 | C1 | 120.6° | 120.0° |
| C6 | C5 | H3 | 120.3° | 120.0° |
| C5 | C4 | C3 | 119.0° | 120.0° |
| C5 | C4 | H2 | 120.5° | 120.0° |
| C4 | C5 | H3 | 120.3° | 120.0° |
| C6 | C1 | C7 | 119.6° | 120.0° |
| C6 | C1 | C2 | 119.4° | 120.0° |
| C4 | C3 | C2 | 121.2° | 120.0° |
| C4 | C3 | C21 | 120.2° | 120.0° |
| C3 | C4 | H2 | 120.5° | 120.0° |
| C7 | C1 | C2 | 120.7° | 120.0° |
| C1 | C7 | N10 | 113.0° | 109.5° |
| C1 | C7 | H4 | 108.6° | 109.4° |
| C1 | C7 | H5 | 108.6° | 109.5° |
| C1 | C2 | C3 | 120.3° | 120.0° |
| C1 | C2 | H1 | 119.9° | 120.0° |
| C2 | C3 | C21 | 118.6° | 120.0° |
| C3 | C2 | H1 | 119.8° | 120.0° |
| C3 | C21 | H16 | 109.5° | 109.5° |
| C3 | C21 | H17 | 109.5° | 109.5° |
| C3 | C21 | H18 | 109.5° | 109.5° |
| C7 | N10 | C11 | 125.6° | 126.4° |
| C7 | N10 | C14 | 126.4° | 126.3° |
| N10 | C7 | H4 | 108.6° | 109.5° |
| N10 | C7 | H5 | 108.6° | 109.5° |
| C19 | C20 | C11 | 118.5° | 119.7° |
| C20 | C19 | C18 | 120.2° | 120.5° |
| C20 | C19 | H11 | 119.9° | 119.8° |
| C19 | C20 | H12 | 120.7° | 120.1° |
| C20 | C11 | N10 | 130.6° | 134.2° |
| C20 | C11 | C12 | 122.2° | 119.8° |
| C11 | C20 | H12 | 120.7° | 120.2° |
| C19 | C18 | C17 | 120.5° | 120.6° |
| C19 | C18 | H10 | 119.8° | 119.7° |
| C18 | C19 | H11 | 119.9° | 119.7° |
| N10 | C11 | C12 | 107.2° | 106.0° |
| C11 | N10 | C14 | 108.0° | 107.4° |
| C11 | C12 | C17 | 118.0° | 119.5° |
| C11 | C12 | N13 | 109.2° | 106.9° |
| N10 | C14 | C15 | 121.4° | 125.0° |
| N10 | C14 | N13 | 111.4° | 110.1° |
| C18 | C17 | C12 | 120.6° | 119.9° |
| C18 | C17 | H9 | 119.7° | 120.1° |
| C17 | C18 | H10 | 119.7° | 119.7° |
| C15 | C14 | N13 | 127.2° | 124.9° |
| C14 | C15 | O16 | 106.1° | 109.5° |
| C14 | C15 | H14 | 110.3° | 109.5° |
| C14 | C15 | H15 | 110.3° | 109.5° |
| C14 | N13 | C12 | 104.2° | 109.6° |
| C17 | C12 | N13 | 132.7° | 133.6° |
| C12 | C17 | H9 | 119.7° | 120.1° |
| C15 | O16 | H13 | 109.5° | 114.0° |
| O16 | C15 | H14 | 110.3° | 109.4° |
| O16 | C15 | H15 | 110.3° | 109.5° |
| H4 | C7 | H5 | 109.5° | 109.5° |
| H6 | C9 | H7 | 109.4° | 109.5° |
| H6 | C9 | H8 | 109.5° | 109.5° |
| H7 | C9 | H8 | 109.5° | 109.5° |
| H14 | C15 | H15 | 109.5° | 109.5° |
| H16 | C21 | H17 | 109.5° | 109.4° |
| H16 | C21 | H18 | 109.4° | 109.4° |
| H17 | C21 | H18 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C6 | C5 | C1 | 177.6° | 179.4° |
| C9 | C6 | C5 | C4 | 179.1° | 180.0° |
| C9 | C6 | C1 | C7 | 4.0° | 0.3° |
| C9 | C6 | C1 | C2 | 178.2° | 180.0° |
| C9 | C6 | C5 | H3 | 0.9° | 0.6° |
| C6 | C9 | H6 | H7 | 120.0° | 120.0° |
| C6 | C9 | H6 | H8 | 120.0° | 119.9° |
| C6 | C9 | H7 | H8 | 120.0° | 120.0° |
| C6 | C5 | C4 | H3 | 180.0° | 179.5° |
| C6 | C5 | C4 | C3 | 0.1° | 0.3° |
| C5 | C6 | C1 | C7 | 178.3° | 179.7° |
| C5 | C6 | C1 | C2 | 4.1° | 0.6° |
| C6 | C5 | C4 | H2 | 179.9° | 179.7° |
| C5 | C6 | C9 | H6 | 91.3° | 94.6° |
| C5 | C6 | C9 | H7 | 148.8° | 145.4° |
| C5 | C6 | C9 | H8 | 28.7° | 25.4° |
| C4 | C5 | C6 | C1 | 1.5° | 0.6° |
| C5 | C4 | C3 | H2 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 1.1° | 0.0° |
| C5 | C4 | C3 | C21 | 178.9° | 180.0° |
| C6 | C1 | C7 | C2 | 174.2° | 179.7° |
| C6 | C1 | C2 | C3 | 5.1° | 0.3° |
| C6 | C1 | C7 | N10 | 137.9° | 86.7° |
| C6 | C1 | C2 | H1 | 174.9° | 179.8° |
| C1 | C6 | C5 | H3 | 178.5° | 180.0° |
| C6 | C1 | C7 | H4 | 17.3° | 153.3° |
| C6 | C1 | C7 | H5 | 101.6° | 33.3° |
| C1 | C6 | C9 | H6 | 91.1° | 86.0° |
| C1 | C6 | C9 | H7 | 28.9° | 34.0° |
| C1 | C6 | C9 | H8 | 148.9° | 154.1° |
| C4 | C3 | C2 | C1 | 3.8° | 0.0° |
| C4 | C3 | C2 | C21 | 177.8° | 180.0° |
| C4 | C3 | C2 | H1 | 176.2° | 180.0° |
| C3 | C4 | C5 | H3 | 179.9° | 179.7° |
| C4 | C3 | C21 | H16 | 91.1° | 90.0° |
| C4 | C3 | C21 | H17 | 148.8° | 29.9° |
| C4 | C3 | C21 | H18 | 28.9° | 150.0° |
| C7 | C1 | C2 | C3 | 179.3° | 180.0° |
| C1 | C7 | N10 | H4 | 120.5° | 120.0° |
| C1 | C7 | N10 | H5 | 120.5° | 120.0° |
| C1 | C7 | N10 | C11 | 62.2° | 96.5° |
| C1 | C7 | N10 | C14 | 117.1° | 83.8° |
| C7 | C1 | C2 | H1 | 0.7° | 0.1° |
| C1 | C7 | H4 | H5 | 118.4° | 119.9° |
| C1 | C2 | C3 | H1 | 180.0° | 179.9° |
| C1 | C2 | C3 | C21 | 178.4° | 180.0° |
| C2 | C1 | C7 | N10 | 48.0° | 93.0° |
| C2 | C1 | C7 | H4 | 168.5° | 27.0° |
| C2 | C1 | C7 | H5 | 72.6° | 147.0° |
| C2 | C3 | C4 | H2 | 178.9° | 180.0° |
| C2 | C3 | C21 | H16 | 91.1° | 90.0° |
| C2 | C3 | C21 | H17 | 29.0° | 150.1° |
| C2 | C3 | C21 | H18 | 148.9° | 30.0° |
| C21 | C3 | C2 | H1 | 1.6° | 0.0° |
| C21 | C3 | C4 | H2 | 1.1° | 0.0° |
| C3 | C21 | H16 | H17 | 120.0° | 120.0° |
| C3 | C21 | H16 | H18 | 120.0° | 120.1° |
| C3 | C21 | H17 | H18 | 120.0° | 120.1° |
| C7 | N10 | C11 | C20 | 1.5° | 0.0° |
| C7 | N10 | C11 | C14 | 179.4° | 179.7° |
| C7 | N10 | C11 | C12 | 179.9° | 180.0° |
| C7 | N10 | C14 | C15 | 0.8° | 0.0° |
| C7 | N10 | C14 | N13 | 179.8° | 180.0° |
| N10 | C7 | H4 | H5 | 118.4° | 120.0° |
| C19 | C20 | C11 | H12 | 180.0° | 179.6° |
| C20 | C19 | C18 | H11 | 180.0° | 179.8° |
| C19 | C20 | C11 | N10 | 178.9° | 179.6° |
| C19 | C20 | C11 | C12 | 0.5° | 0.4° |
| C20 | C19 | C18 | C17 | 2.0° | 0.2° |
| C20 | C19 | C18 | H10 | 177.9° | 179.8° |
| C11 | C20 | C19 | C18 | 1.4° | 0.4° |
| C20 | C11 | N10 | C12 | 178.6° | 180.0° |
| C20 | C11 | N10 | C14 | 179.1° | 179.8° |
| C20 | C11 | C12 | C17 | 0.2° | 0.2° |
| C20 | C11 | C12 | N13 | 178.7° | 179.8° |
| C11 | C20 | C19 | H11 | 178.6° | 179.8° |
| C19 | C18 | C17 | H10 | 180.0° | 180.0° |
| C19 | C18 | C17 | C12 | 1.7° | 0.0° |
| C19 | C18 | C17 | H9 | 178.3° | 180.0° |
| C18 | C19 | C20 | H12 | 178.6° | 180.0° |
| C11 | N10 | C14 | C15 | 179.8° | 179.7° |
| C11 | N10 | C14 | N13 | 0.8° | 0.2° |
| N10 | C11 | C12 | C17 | 178.9° | 179.8° |
| N10 | C11 | C12 | N13 | 0.0° | 0.2° |
| C11 | N10 | C7 | H4 | 58.3° | 143.5° |
| C11 | N10 | C7 | H5 | 177.3° | 23.4° |
| N10 | C11 | C20 | H12 | 1.1° | 0.0° |
| C12 | C11 | N10 | C14 | 0.5° | 0.3° |
| C11 | C12 | C17 | C18 | 0.8° | 0.0° |
| C11 | C12 | N13 | C14 | 0.5° | 0.0° |
| C11 | C12 | C17 | N13 | 178.6° | 180.0° |
| C11 | C12 | C17 | H9 | 179.3° | 180.0° |
| C12 | C11 | C20 | H12 | 179.5° | 180.0° |
| N10 | C14 | C15 | N13 | 178.8° | 179.9° |
| N10 | C14 | N13 | C12 | 0.8° | 0.1° |
| N10 | C14 | C15 | O16 | 176.1° | 90.0° |
| C14 | N10 | C7 | H4 | 122.4° | 36.2° |
| C14 | N10 | C7 | H5 | 3.4° | 156.2° |
| N10 | C14 | C15 | H14 | 56.6° | 30.0° |
| N10 | C14 | C15 | H15 | 64.5° | 150.0° |
| C18 | C17 | C12 | H9 | 180.0° | 180.0° |
| C18 | C17 | C12 | N13 | 177.8° | 180.0° |
| C17 | C18 | C19 | H11 | 177.9° | 180.0° |
| C15 | C14 | N13 | C12 | 179.7° | 179.8° |
| C14 | C15 | O16 | H14 | 119.5° | 120.0° |
| C14 | C15 | O16 | H15 | 119.5° | 120.0° |
| C14 | C15 | O16 | H13 | 180.0° | 180.0° |
| C14 | C15 | H14 | H15 | 121.5° | 120.0° |
| C14 | N13 | C12 | C17 | 179.2° | 180.0° |
| N13 | C14 | C15 | O16 | 2.7° | 90.0° |
| N13 | C14 | C15 | H14 | 122.2° | 150.1° |
| N13 | C14 | C15 | H15 | 116.8° | 30.0° |
| C12 | C17 | C18 | H10 | 178.3° | 180.0° |
| N13 | C12 | C17 | H9 | 2.2° | 0.0° |
| O16 | C15 | H14 | H15 | 121.6° | 120.0° |
| H2 | C4 | C5 | H3 | 0.1° | 0.3° |
| H6 | C9 | H7 | H8 | 120.0° | 120.0° |
| H9 | C17 | C18 | H10 | 1.7° | 0.0° |
| H10 | C18 | C19 | H11 | 2.1° | 0.0° |
| H11 | C19 | C20 | H12 | 1.4° | 0.2° |
| H13 | O16 | C15 | H14 | 60.5° | 60.1° |
| H13 | O16 | C15 | H15 | 60.6° | 60.0° |
| H16 | C21 | H17 | H18 | 120.0° | 119.9° |
