C1C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | doub | 1.36Å | 1.39Å | Aromatic |
| C6 | C1 | sing | 1.39Å | 1.41Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | C2 | sing | 1.41Å | 1.39Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | C3 | doub | 1.41Å | 1.40Å | Aromatic |
| C4 | C3 | sing | 1.42Å | 1.51Å | Aromatic |
| C10 | C4 | doub | 1.42Å | 1.47Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| C5 | C6 | doub | 1.36Å | 1.38Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | C7 | sing | 1.36Å | 1.40Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | C8 | doub | 1.40Å | 1.40Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C24 | C9 | sing | 1.47Å | 1.47Å | |
| C9 | C10 | sing | 1.40Å | 1.47Å | Aromatic |
| C11 | C10 | sing | 1.47Å | 1.47Å | Aromatic |
| C16 | C11 | doub | 1.40Å | 1.48Å | Aromatic |
| C11 | C12 | sing | 1.42Å | 1.47Å | Aromatic |
| C13 | C12 | sing | 1.42Å | 1.38Å | Aromatic |
| C12 | C17 | doub | 1.40Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.41Å | 1.39Å | Aromatic |
| C13 | C20 | doub | 1.40Å | 1.39Å | Aromatic |
| C15 | C14 | doub | 1.36Å | 1.39Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | C16 | sing | 1.40Å | 1.38Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C21 | C16 | sing | 1.48Å | 1.48Å | |
| C17 | C18 | sing | 1.36Å | 1.38Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C19 | C18 | doub | 1.39Å | 1.40Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C20 | C19 | sing | 1.36Å | 1.38Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| O23 | C21 | doub | 1.21Å | 1.25Å | |
| C21 | O22 | sing | 1.35Å | 1.27Å | |
| O22 | HO22 | sing | 0.97Å | 0.95Å | |
| O25 | C24 | doub | 1.22Å | 1.23Å | |
| O26 | C24 | sing | 1.35Å | 1.23Å | |
| O26 | HO26 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 122.4° | 121.0° |
| C2 | C1 | H1 | 118.8° | 119.4° |
| C1 | C2 | C3 | 119.1° | 119.7° |
| C1 | C2 | H2 | 120.5° | 120.2° |
| C6 | C1 | H1 | 118.8° | 119.6° |
| C1 | C6 | C5 | 121.8° | 120.9° |
| C1 | C6 | H6 | 119.1° | 119.6° |
| C3 | C2 | H2 | 120.5° | 120.1° |
| C2 | C3 | C7 | 121.0° | 121.0° |
| C2 | C3 | C4 | 117.9° | 119.2° |
| C7 | C3 | C4 | 121.1° | 119.8° |
| C3 | C7 | C8 | 119.4° | 120.4° |
| C3 | C7 | H7 | 120.3° | 119.8° |
| C3 | C4 | C10 | 118.6° | 119.4° |
| C3 | C4 | C5 | 121.0° | 119.5° |
| C10 | C4 | C5 | 120.4° | 121.1° |
| C4 | C10 | C9 | 116.5° | 119.2° |
| C4 | C10 | C11 | 117.0° | 120.4° |
| C4 | C5 | C6 | 117.8° | 119.7° |
| C4 | C5 | H5 | 121.1° | 120.2° |
| C6 | C5 | H5 | 121.1° | 120.1° |
| C5 | C6 | H6 | 119.1° | 119.5° |
| C8 | C7 | H7 | 120.3° | 119.8° |
| C7 | C8 | C9 | 122.5° | 121.0° |
| C7 | C8 | H8 | 118.8° | 119.6° |
| C9 | C8 | H8 | 118.8° | 119.5° |
| C8 | C9 | C24 | 121.1° | 119.9° |
| C8 | C9 | C10 | 121.9° | 120.3° |
| C24 | C9 | C10 | 117.1° | 119.8° |
| C9 | C24 | O25 | 115.2° | 120.0° |
| C9 | C24 | O26 | 121.4° | 120.0° |
| C9 | C10 | C11 | 126.5° | 120.4° |
| C10 | C11 | C16 | 122.4° | 120.5° |
| C10 | C11 | C12 | 119.8° | 120.5° |
| C16 | C11 | C12 | 117.6° | 119.1° |
| C11 | C16 | C15 | 119.7° | 120.3° |
| C11 | C16 | C21 | 121.7° | 119.8° |
| C11 | C12 | C13 | 119.1° | 119.4° |
| C11 | C12 | C17 | 120.0° | 121.1° |
| C13 | C12 | C17 | 120.9° | 119.5° |
| C12 | C13 | C14 | 121.2° | 119.8° |
| C12 | C13 | C20 | 119.7° | 119.2° |
| C12 | C17 | C18 | 119.1° | 119.7° |
| C12 | C17 | H17 | 120.5° | 120.2° |
| C14 | C13 | C20 | 119.1° | 121.0° |
| C13 | C14 | C15 | 122.5° | 120.3° |
| C13 | C14 | H14 | 118.8° | 119.8° |
| C13 | C20 | C19 | 120.6° | 119.7° |
| C13 | C20 | H20 | 119.7° | 120.1° |
| C15 | C14 | H14 | 118.8° | 119.8° |
| C14 | C15 | C16 | 119.9° | 121.0° |
| C14 | C15 | H15 | 120.1° | 119.5° |
| C16 | C15 | H15 | 120.1° | 119.5° |
| C15 | C16 | C21 | 118.6° | 119.9° |
| C16 | C21 | O23 | 118.4° | 120.0° |
| C16 | C21 | O22 | 116.6° | 120.0° |
| C18 | C17 | H17 | 120.4° | 120.1° |
| C17 | C18 | C19 | 120.7° | 120.9° |
| C17 | C18 | H18 | 119.7° | 119.5° |
| C19 | C18 | H18 | 119.6° | 119.5° |
| C18 | C19 | C20 | 118.9° | 120.9° |
| C18 | C19 | H19 | 120.5° | 119.6° |
| C20 | C19 | H19 | 120.5° | 119.5° |
| C19 | C20 | H20 | 119.7° | 120.2° |
| O23 | C21 | O22 | 124.9° | 120.1° |
| C21 | O22 | HO22 | 109.5° | 116.9° |
| O25 | C24 | O26 | 123.3° | 120.0° |
| C24 | O26 | HO26 | 109.5° | 116.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 179.6° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C7 | 179.7° | 180.0° |
| C1 | C2 | C3 | C4 | 0.8° | 0.0° |
| C2 | C1 | C6 | C5 | 0.6° | 0.6° |
| C2 | C1 | C6 | H6 | 179.4° | 180.0° |
| C6 | C1 | C2 | C3 | 0.4° | 0.3° |
| C6 | C1 | C2 | H2 | 179.6° | 179.7° |
| C1 | C6 | C5 | C4 | 1.1° | 0.6° |
| C1 | C6 | C5 | H6 | 180.0° | 179.4° |
| C1 | C6 | C5 | H5 | 178.9° | 179.7° |
| H1 | C1 | C2 | C3 | 179.6° | 179.9° |
| H1 | C1 | C2 | H2 | 0.4° | 0.1° |
| H1 | C1 | C6 | C5 | 179.4° | 179.8° |
| H1 | C1 | C6 | H6 | 0.6° | 0.4° |
| C2 | C3 | C7 | C4 | 178.9° | 180.0° |
| C2 | C3 | C4 | C10 | 178.8° | 180.0° |
| C2 | C3 | C4 | C5 | 0.2° | 0.0° |
| C2 | C3 | C7 | C8 | 179.2° | 180.0° |
| C2 | C3 | C7 | H7 | 0.8° | 0.1° |
| H2 | C2 | C3 | C7 | 0.3° | 0.0° |
| H2 | C2 | C3 | C4 | 179.2° | 180.0° |
| C7 | C3 | C4 | C10 | 0.2° | 0.0° |
| C7 | C3 | C4 | C5 | 179.1° | 180.0° |
| C3 | C7 | C8 | H7 | 180.0° | 179.9° |
| C3 | C7 | C8 | C9 | 0.2° | 0.0° |
| C3 | C7 | C8 | H8 | 179.8° | 180.0° |
| C3 | C4 | C10 | C5 | 179.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.7° | 0.3° |
| C3 | C4 | C5 | H5 | 179.3° | 180.0° |
| C4 | C3 | C7 | C8 | 0.3° | 0.1° |
| C4 | C3 | C7 | H7 | 179.7° | 180.0° |
| C3 | C4 | C10 | C9 | 1.0° | 0.1° |
| C3 | C4 | C10 | C11 | 179.9° | 180.0° |
| C10 | C4 | C5 | C6 | 179.7° | 179.7° |
| C10 | C4 | C5 | H5 | 0.3° | 0.0° |
| C4 | C10 | C9 | C8 | 1.5° | 0.1° |
| C4 | C10 | C9 | C24 | 179.8° | 179.9° |
| C4 | C10 | C9 | C11 | 179.0° | 179.9° |
| C4 | C10 | C11 | C16 | 76.4° | 89.6° |
| C4 | C10 | C11 | C12 | 99.4° | 90.1° |
| C4 | C5 | C6 | H5 | 180.0° | 179.7° |
| C4 | C5 | C6 | H6 | 178.9° | 180.0° |
| C5 | C4 | C10 | C9 | 180.0° | 179.9° |
| C5 | C4 | C10 | C11 | 0.9° | 0.0° |
| H5 | C5 | C6 | H6 | 1.1° | 0.3° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C24 | 179.4° | 180.0° |
| C7 | C8 | C9 | C10 | 1.2° | 0.0° |
| H7 | C7 | C8 | C9 | 179.8° | 179.9° |
| H7 | C7 | C8 | H8 | 0.2° | 0.1° |
| C8 | C9 | C24 | C10 | 178.3° | 180.0° |
| C8 | C9 | C10 | C11 | 179.4° | 180.0° |
| C8 | C9 | C24 | O25 | 121.4° | 180.0° |
| C8 | C9 | C24 | O26 | 59.4° | 0.0° |
| H8 | C8 | C9 | C24 | 0.6° | 0.0° |
| H8 | C8 | C9 | C10 | 178.8° | 179.9° |
| C24 | C9 | C10 | C11 | 1.2° | 0.0° |
| C9 | C24 | O25 | O26 | 179.2° | 180.0° |
| C9 | C24 | O26 | HO26 | 179.2° | 180.0° |
| C9 | C10 | C11 | C16 | 104.6° | 90.3° |
| C9 | C10 | C11 | C12 | 79.6° | 90.0° |
| C10 | C9 | C24 | O25 | 56.9° | 0.0° |
| C10 | C9 | C24 | O26 | 122.3° | 180.0° |
| C10 | C11 | C16 | C12 | 175.9° | 179.7° |
| C10 | C11 | C12 | C13 | 176.7° | 180.0° |
| C10 | C11 | C12 | C17 | 2.7° | 0.1° |
| C10 | C11 | C16 | C15 | 176.7° | 179.7° |
| C10 | C11 | C16 | C21 | 2.2° | 0.3° |
| C16 | C11 | C12 | C13 | 0.7° | 0.3° |
| C16 | C11 | C12 | C17 | 178.7° | 179.8° |
| C11 | C16 | C15 | C14 | 0.2° | 0.6° |
| C11 | C16 | C15 | C21 | 179.0° | 179.4° |
| C11 | C16 | C15 | H15 | 179.8° | 179.7° |
| C11 | C16 | C21 | O23 | 45.4° | 0.6° |
| C11 | C16 | C21 | O22 | 132.0° | 179.4° |
| C11 | C12 | C13 | C17 | 179.4° | 179.9° |
| C11 | C12 | C13 | C14 | 0.0° | 0.0° |
| C11 | C12 | C13 | C20 | 179.6° | 180.0° |
| C12 | C11 | C16 | C15 | 0.8° | 0.6° |
| C12 | C11 | C16 | C21 | 178.1° | 180.0° |
| C11 | C12 | C17 | C18 | 179.2° | 180.0° |
| C11 | C12 | C17 | H17 | 0.8° | 0.0° |
| C12 | C13 | C14 | C20 | 179.6° | 180.0° |
| C12 | C13 | C14 | C15 | 0.7° | 0.0° |
| C12 | C13 | C14 | H14 | 179.3° | 180.0° |
| C13 | C12 | C17 | C18 | 1.4° | 0.0° |
| C13 | C12 | C17 | H17 | 178.6° | 179.9° |
| C12 | C13 | C20 | C19 | 0.5° | 0.1° |
| C12 | C13 | C20 | H20 | 179.5° | 179.9° |
| C17 | C12 | C13 | C14 | 179.4° | 179.9° |
| C17 | C12 | C13 | C20 | 1.0° | 0.1° |
| C12 | C17 | C18 | H17 | 180.0° | 180.0° |
| C12 | C17 | C18 | C19 | 0.2° | 0.0° |
| C12 | C17 | C18 | H18 | 179.8° | 180.0° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.6° | 0.3° |
| C13 | C14 | C15 | H15 | 179.5° | 180.0° |
| C14 | C13 | C20 | C19 | 179.0° | 179.9° |
| C14 | C13 | C20 | H20 | 1.0° | 0.0° |
| C20 | C13 | C14 | C15 | 179.8° | 180.0° |
| C20 | C13 | C14 | H14 | 0.3° | 0.0° |
| C13 | C20 | C19 | C18 | 1.7° | 0.0° |
| C13 | C20 | C19 | H20 | 180.0° | 180.0° |
| C13 | C20 | C19 | H19 | 178.3° | 180.0° |
| C14 | C15 | C16 | H15 | 180.0° | 179.7° |
| C14 | C15 | C16 | C21 | 178.8° | 180.0° |
| H14 | C14 | C15 | C16 | 179.4° | 179.7° |
| H14 | C14 | C15 | H15 | 0.6° | 0.0° |
| C15 | C16 | C21 | O23 | 135.6° | 180.0° |
| C15 | C16 | C21 | O22 | 47.0° | 0.0° |
| H15 | C15 | C16 | C21 | 1.2° | 0.3° |
| C16 | C21 | O23 | O22 | 177.1° | 180.0° |
| C16 | C21 | O22 | HO22 | 177.2° | 179.9° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 1.4° | 0.0° |
| C17 | C18 | C19 | H19 | 178.6° | 180.0° |
| H17 | C17 | C18 | C19 | 179.8° | 180.0° |
| H17 | C17 | C18 | H18 | 0.2° | 0.0° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | H20 | 178.3° | 180.0° |
| H18 | C18 | C19 | C20 | 178.6° | 180.0° |
| H18 | C18 | C19 | H19 | 1.4° | 0.0° |
| H19 | C19 | C20 | H20 | 1.7° | 0.0° |
| O23 | C21 | O22 | HO22 | 0.0° | 0.1° |
| O25 | C24 | O26 | HO26 | 0.0° | 0.0° |
