7SP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | C5 | sing | 1.51Å | 1.51Å | |
| C5 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| N24 | C7 | sing | 1.47Å | 1.45Å | |
| C7 | C8 | sing | 1.51Å | 1.50Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | O9 | doub | 1.21Å | 1.23Å | |
| C8 | N10 | sing | 1.35Å | 1.44Å | |
| N10 | N11 | sing | 1.40Å | 1.36Å | |
| N10 | HN10 | sing | 0.97Å | 1.00Å | |
| N11 | C12 | doub | 1.30Å | 1.45Å | |
| C12 | C13 | sing | 1.47Å | 1.50Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | C13 | doub | 1.39Å | 1.38Å | Aromatic |
| C13 | C18 | sing | 1.46Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | C17 | sing | 1.41Å | 1.38Å | Aromatic |
| C16 | O23 | sing | 1.36Å | 1.37Å | |
| C18 | C17 | doub | 1.41Å | 1.40Å | Aromatic |
| C17 | C22 | sing | 1.40Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.40Å | 1.39Å | Aromatic |
| C19 | C20 | doub | 1.36Å | 1.39Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | C21 | sing | 1.39Å | 1.38Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C22 | C21 | doub | 1.36Å | 1.38Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| O23 | HO23 | sing | 0.97Å | 0.95Å | |
| N24 | HN24 | sing | 1.01Å | 1.00Å | |
| N24 | HN2A | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C1 | C2 | 120.2° | 120.0° |
| C6 | C1 | H1 | 119.8° | 120.1° |
| C1 | C6 | C5 | 120.3° | 120.0° |
| C1 | C6 | H6 | 119.8° | 119.9° |
| C2 | C1 | H1 | 119.9° | 120.0° |
| C1 | C2 | C3 | 119.7° | 120.0° |
| C1 | C2 | H2 | 120.2° | 120.0° |
| C3 | C2 | H2 | 120.1° | 120.0° |
| C2 | C3 | C4 | 120.0° | 120.0° |
| C2 | C3 | H3 | 120.0° | 120.1° |
| C4 | C3 | H3 | 120.0° | 120.0° |
| C3 | C4 | C5 | 120.6° | 120.0° |
| C3 | C4 | H4 | 119.7° | 120.0° |
| C5 | C4 | H4 | 119.7° | 120.0° |
| C4 | C5 | C7 | 120.3° | 119.9° |
| C4 | C5 | C6 | 119.1° | 120.0° |
| C7 | C5 | C6 | 120.6° | 120.0° |
| C5 | C7 | N24 | 111.3° | 109.5° |
| C5 | C7 | C8 | 107.0° | 109.4° |
| C5 | C7 | H7 | 109.8° | 109.5° |
| C5 | C6 | H6 | 119.9° | 120.0° |
| N24 | C7 | C8 | 109.2° | 109.4° |
| N24 | C7 | H7 | 107.6° | 109.5° |
| C7 | N24 | HN24 | 109.5° | 111.0° |
| C7 | N24 | HN2A | 109.5° | 111.0° |
| C8 | C7 | H7 | 111.9° | 109.5° |
| C7 | C8 | O9 | 120.5° | 120.0° |
| C7 | C8 | N10 | 119.4° | 120.0° |
| O9 | C8 | N10 | 120.1° | 120.0° |
| C8 | N10 | N11 | 119.7° | 120.0° |
| C8 | N10 | HN10 | 120.1° | 120.0° |
| N11 | N10 | HN10 | 120.2° | 120.0° |
| N10 | N11 | C12 | 110.4° | 120.0° |
| N11 | C12 | C13 | 117.8° | 120.0° |
| N11 | C12 | H12 | 121.1° | 120.0° |
| C13 | C12 | H12 | 121.2° | 120.0° |
| C12 | C13 | C14 | 120.0° | 120.6° |
| C12 | C13 | C18 | 120.3° | 120.6° |
| C14 | C13 | C18 | 119.7° | 118.9° |
| C13 | C14 | C15 | 120.9° | 120.7° |
| C13 | C14 | H14 | 119.5° | 119.7° |
| C13 | C18 | C17 | 119.2° | 119.0° |
| C13 | C18 | C19 | 122.2° | 121.4° |
| C15 | C14 | H14 | 119.5° | 119.6° |
| C14 | C15 | C16 | 119.7° | 121.6° |
| C14 | C15 | H15 | 120.1° | 119.2° |
| C16 | C15 | H15 | 120.2° | 119.2° |
| C15 | C16 | C17 | 119.7° | 120.4° |
| C15 | C16 | O23 | 120.1° | 119.8° |
| C17 | C16 | O23 | 120.2° | 119.8° |
| C16 | C17 | C18 | 120.7° | 119.4° |
| C16 | C17 | C22 | 119.2° | 121.3° |
| C16 | O23 | HO23 | 109.5° | 114.1° |
| C18 | C17 | C22 | 120.1° | 119.2° |
| C17 | C18 | C19 | 118.6° | 119.6° |
| C17 | C22 | C21 | 120.6° | 119.7° |
| C17 | C22 | H22 | 119.7° | 120.2° |
| C18 | C19 | C20 | 121.0° | 119.6° |
| C18 | C19 | H19 | 119.5° | 120.2° |
| C20 | C19 | H19 | 119.5° | 120.2° |
| C19 | C20 | C21 | 119.9° | 120.9° |
| C19 | C20 | H20 | 120.1° | 119.5° |
| C21 | C20 | H20 | 120.0° | 119.5° |
| C20 | C21 | C22 | 119.8° | 120.9° |
| C20 | C21 | H21 | 120.1° | 119.6° |
| C22 | C21 | H21 | 120.1° | 119.5° |
| C21 | C22 | H22 | 119.7° | 120.2° |
| HN24 | N24 | HN2A | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C1 | C2 | H1 | 180.0° | 179.6° |
| C6 | C1 | C2 | C3 | 0.1° | 0.4° |
| C6 | C1 | C2 | H2 | 179.9° | 179.7° |
| C1 | C6 | C5 | C4 | 0.8° | 0.6° |
| C1 | C6 | C5 | C7 | 179.5° | 179.7° |
| C1 | C6 | C5 | H6 | 180.0° | 179.4° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.0° | 0.0° |
| C1 | C2 | C3 | H3 | 180.0° | 180.0° |
| C2 | C1 | C6 | C5 | 0.3° | 0.6° |
| C2 | C1 | C6 | H6 | 179.7° | 180.0° |
| H1 | C1 | C2 | C3 | 179.9° | 180.0° |
| H1 | C1 | C2 | H2 | 0.1° | 0.1° |
| H1 | C1 | C6 | C5 | 179.7° | 179.7° |
| H1 | C1 | C6 | H6 | 0.3° | 0.3° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.5° | 0.0° |
| C2 | C3 | C4 | H4 | 179.5° | 180.0° |
| H2 | C2 | C3 | C4 | 180.0° | 180.0° |
| H2 | C2 | C3 | H3 | 0.0° | 0.0° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C7 | 179.6° | 180.0° |
| C3 | C4 | C5 | C6 | 0.9° | 0.3° |
| H3 | C3 | C4 | C5 | 179.5° | 180.0° |
| H3 | C3 | C4 | H4 | 0.5° | 0.0° |
| C4 | C5 | C7 | C6 | 178.7° | 179.7° |
| C4 | C5 | C6 | H6 | 179.2° | 180.0° |
| C4 | C5 | C7 | N24 | 133.7° | 140.0° |
| C4 | C5 | C7 | C8 | 107.0° | 100.0° |
| C4 | C5 | C7 | H7 | 14.7° | 20.0° |
| H4 | C4 | C5 | C7 | 0.4° | 0.0° |
| H4 | C4 | C5 | C6 | 179.1° | 179.7° |
| C7 | C5 | C6 | H6 | 0.5° | 0.3° |
| C5 | C7 | N24 | C8 | 118.0° | 119.9° |
| C5 | C7 | N24 | H7 | 120.4° | 120.1° |
| C5 | C7 | C8 | H7 | 120.4° | 120.0° |
| C5 | C7 | C8 | O9 | 98.0° | 100.0° |
| C5 | C7 | C8 | N10 | 80.6° | 80.1° |
| C5 | C7 | N24 | HN24 | 180.0° | 60.0° |
| C5 | C7 | N24 | HN2A | 60.0° | 176.1° |
| C6 | C5 | C7 | N24 | 47.6° | 39.7° |
| C6 | C5 | C7 | C8 | 71.7° | 80.2° |
| C6 | C5 | C7 | H7 | 166.6° | 159.7° |
| N24 | C7 | C8 | H7 | 119.0° | 120.0° |
| N24 | C7 | C8 | O9 | 22.6° | 19.9° |
| N24 | C7 | C8 | N10 | 158.8° | 160.0° |
| C7 | N24 | HN24 | HN2A | 120.0° | 124.0° |
| C7 | C8 | O9 | N10 | 178.6° | 179.9° |
| C7 | C8 | N10 | N11 | 179.2° | 180.0° |
| C7 | C8 | N10 | HN10 | 0.8° | 0.0° |
| C8 | C7 | N24 | HN24 | 62.0° | 60.0° |
| C8 | C7 | N24 | HN2A | 177.9° | 64.0° |
| H7 | C7 | C8 | O9 | 141.7° | 139.9° |
| H7 | C7 | C8 | N10 | 39.8° | 40.0° |
| H7 | C7 | N24 | HN24 | 59.6° | 180.0° |
| H7 | C7 | N24 | HN2A | 60.4° | 56.0° |
| O9 | C8 | N10 | N11 | 0.6° | 0.1° |
| O9 | C8 | N10 | HN10 | 179.3° | 180.0° |
| C8 | N10 | N11 | HN10 | 180.0° | 180.0° |
| C8 | N10 | N11 | C12 | 170.0° | 180.0° |
| N10 | N11 | C12 | C13 | 178.6° | 180.0° |
| N10 | N11 | C12 | H12 | 1.4° | 0.0° |
| HN10 | N10 | N11 | C12 | 9.9° | 0.0° |
| N11 | C12 | C13 | H12 | 180.0° | 180.0° |
| N11 | C12 | C13 | C14 | 31.9° | 174.6° |
| N11 | C12 | C13 | C18 | 148.0° | 5.7° |
| C12 | C13 | C14 | C18 | 179.9° | 179.7° |
| C12 | C13 | C14 | C15 | 179.9° | 180.0° |
| C12 | C13 | C14 | H14 | 0.1° | 0.1° |
| C12 | C13 | C18 | C17 | 180.0° | 179.8° |
| C12 | C13 | C18 | C19 | 0.1° | 0.1° |
| H12 | C12 | C13 | C14 | 148.1° | 5.4° |
| H12 | C12 | C13 | C18 | 32.0° | 174.3° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.1° | 0.0° |
| C13 | C14 | C15 | H15 | 179.9° | 180.0° |
| C14 | C13 | C18 | C17 | 0.1° | 0.5° |
| C14 | C13 | C18 | C19 | 179.8° | 179.8° |
| C18 | C13 | C14 | C15 | 0.2° | 0.3° |
| C18 | C13 | C14 | H14 | 179.8° | 179.7° |
| C13 | C18 | C17 | C16 | 0.0° | 0.5° |
| C13 | C18 | C17 | C19 | 179.9° | 179.7° |
| C13 | C18 | C17 | C22 | 180.0° | 179.7° |
| C13 | C18 | C19 | C20 | 179.9° | 180.0° |
| C13 | C18 | C19 | H19 | 0.1° | 0.1° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.1° | 0.0° |
| C14 | C15 | C16 | O23 | 180.0° | 180.0° |
| H14 | C14 | C15 | C16 | 179.9° | 180.0° |
| H14 | C14 | C15 | H15 | 0.1° | 0.0° |
| C15 | C16 | C17 | O23 | 179.9° | 180.0° |
| C15 | C16 | C17 | C18 | 0.1° | 0.3° |
| C15 | C16 | C17 | C22 | 179.9° | 180.0° |
| C15 | C16 | O23 | HO23 | 180.0° | 90.0° |
| H15 | C15 | C16 | C17 | 179.9° | 180.0° |
| H15 | C15 | C16 | O23 | 0.0° | 0.0° |
| C16 | C17 | C18 | C22 | 179.9° | 179.8° |
| C16 | C17 | C18 | C19 | 180.0° | 179.8° |
| C16 | C17 | C22 | C21 | 180.0° | 179.2° |
| C16 | C17 | C22 | H22 | 0.1° | 0.1° |
| C17 | C16 | O23 | HO23 | 0.1° | 90.0° |
| O23 | C16 | C17 | C18 | 180.0° | 179.7° |
| O23 | C16 | C17 | C22 | 0.0° | 0.0° |
| C17 | C18 | C19 | C20 | 0.2° | 0.3° |
| C17 | C18 | C19 | H19 | 179.8° | 179.8° |
| C18 | C17 | C22 | C21 | 0.0° | 0.6° |
| C18 | C17 | C22 | H22 | 180.0° | 179.7° |
| C22 | C17 | C18 | C19 | 0.1° | 0.0° |
| C17 | C22 | C21 | C20 | 0.0° | 0.8° |
| C17 | C22 | C21 | H22 | 180.0° | 179.1° |
| C17 | C22 | C21 | H21 | 180.0° | 179.7° |
| C18 | C19 | C20 | H19 | 180.0° | 179.9° |
| C18 | C19 | C20 | C21 | 0.1° | 0.0° |
| C18 | C19 | C20 | H20 | 179.9° | 180.0° |
| C19 | C20 | C21 | H20 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 0.1° | 0.5° |
| C19 | C20 | C21 | H21 | 180.0° | 180.0° |
| H19 | C19 | C20 | C21 | 179.8° | 180.0° |
| H19 | C19 | C20 | H20 | 0.1° | 0.1° |
| C20 | C21 | C22 | H21 | 180.0° | 179.5° |
| C20 | C21 | C22 | H22 | 180.0° | 180.0° |
| H20 | C20 | C21 | C22 | 180.0° | 179.4° |
| H20 | C20 | C21 | H21 | 0.0° | 0.1° |
| H21 | C21 | C22 | H22 | 0.1° | 0.5° |
