5C9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C30 | C29 | sing | 1.51Å | 1.49Å | |
| C28 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| C29 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C31 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | C25 | sing | 1.39Å | 1.38Å | Aromatic |
| C25 | N24 | sing | 1.40Å | 1.44Å | |
| C22 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| N24 | C23 | sing | 1.40Å | 1.44Å | |
| C23 | C32 | doub | 1.39Å | 1.39Å | Aromatic |
| C20 | C19 | doub | 1.40Å | 1.39Å | Aromatic |
| C32 | C19 | sing | 1.40Å | 1.39Å | Aromatic |
| C19 | C03 | sing | 1.47Å | 1.51Å | |
| C01 | C02 | sing | 1.53Å | 1.49Å | |
| O09 | C08 | sing | 1.36Å | 1.37Å | |
| C03 | C02 | sing | 1.51Å | 1.50Å | |
| C03 | C04 | doub | 1.36Å | 1.39Å | |
| C08 | C07 | doub | 1.39Å | 1.39Å | Aromatic |
| C08 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C07 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C06 | C05 | doub | 1.40Å | 1.39Å | Aromatic |
| C11 | C05 | sing | 1.40Å | 1.39Å | Aromatic |
| C05 | C04 | sing | 1.48Å | 1.50Å | |
| C04 | C12 | sing | 1.48Å | 1.51Å | |
| C13 | C12 | doub | 1.40Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C18 | sing | 1.40Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | O16 | sing | 1.36Å | 1.38Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C02 | H5 | sing | 1.09Å | 1.10Å | |
| C06 | H8 | sing | 1.08Å | 1.08Å | |
| C07 | H9 | sing | 1.08Å | 1.08Å | |
| O09 | H10 | sing | 0.97Å | 0.95Å | |
| C10 | H11 | sing | 1.08Å | 1.08Å | |
| C11 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| O16 | H15 | sing | 0.97Å | 0.95Å | |
| C17 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H17 | sing | 1.08Å | 1.08Å | |
| C20 | H18 | sing | 1.08Å | 1.08Å | |
| C21 | H19 | sing | 1.08Å | 1.08Å | |
| C22 | H20 | sing | 1.08Å | 1.08Å | |
| N24 | H21 | sing | 0.97Å | 1.00Å | |
| C26 | H22 | sing | 1.08Å | 1.08Å | |
| C27 | H23 | sing | 1.08Å | 1.08Å | |
| C28 | H24 | sing | 1.08Å | 1.08Å | |
| C30 | H25 | sing | 1.09Å | 1.10Å | |
| C30 | H26 | sing | 1.09Å | 1.10Å | |
| C30 | H27 | sing | 1.09Å | 1.10Å | |
| C31 | H28 | sing | 1.08Å | 1.08Å | |
| C32 | H29 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C30 | C29 | C28 | 119.7° | 119.9° |
| C30 | C29 | C31 | 120.3° | 120.0° |
| C29 | C30 | H25 | 109.5° | 109.5° |
| C29 | C30 | H26 | 109.5° | 109.5° |
| C29 | C30 | H27 | 109.5° | 109.5° |
| C29 | C28 | C27 | 119.5° | 120.2° |
| C28 | C29 | C31 | 120.0° | 120.1° |
| C29 | C28 | H24 | 120.2° | 119.9° |
| C28 | C27 | C26 | 120.7° | 120.1° |
| C28 | C27 | H23 | 119.7° | 119.9° |
| C27 | C28 | H24 | 120.2° | 119.9° |
| C29 | C31 | C25 | 120.2° | 119.9° |
| C29 | C31 | H28 | 119.9° | 120.1° |
| C27 | C26 | C25 | 119.7° | 119.9° |
| C27 | C26 | H22 | 120.1° | 120.1° |
| C26 | C27 | H23 | 119.6° | 120.0° |
| C31 | C25 | C26 | 119.7° | 119.8° |
| C31 | C25 | N24 | 119.3° | 120.1° |
| C25 | C31 | H28 | 119.9° | 120.0° |
| C26 | C25 | N24 | 120.9° | 120.1° |
| C25 | C26 | H22 | 120.1° | 120.0° |
| C25 | N24 | C23 | 124.0° | 120.0° |
| C25 | N24 | H21 | 118.0° | 120.0° |
| C21 | C22 | C23 | 119.7° | 120.3° |
| C22 | C21 | C20 | 120.5° | 120.3° |
| C22 | C21 | H19 | 119.7° | 119.9° |
| C21 | C22 | H20 | 120.1° | 119.9° |
| C22 | C23 | N24 | 122.5° | 120.0° |
| C22 | C23 | C32 | 119.7° | 120.0° |
| C23 | C22 | H20 | 120.2° | 119.8° |
| C21 | C20 | C19 | 119.6° | 120.0° |
| C21 | C20 | H18 | 120.2° | 120.0° |
| C20 | C21 | H19 | 119.8° | 119.9° |
| N24 | C23 | C32 | 117.9° | 120.0° |
| C23 | N24 | H21 | 118.0° | 120.0° |
| C23 | C32 | C19 | 120.8° | 119.8° |
| C23 | C32 | H29 | 119.6° | 120.1° |
| C20 | C19 | C32 | 119.7° | 119.7° |
| C20 | C19 | C03 | 122.7° | 120.1° |
| C19 | C20 | H18 | 120.2° | 120.1° |
| C32 | C19 | C03 | 117.6° | 120.2° |
| C19 | C32 | H29 | 119.6° | 120.1° |
| C19 | C03 | C02 | 113.3° | 120.0° |
| C19 | C03 | C04 | 121.5° | 120.0° |
| C01 | C02 | C03 | 116.7° | 109.4° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C01 | C02 | H4 | 107.6° | 109.5° |
| C01 | C02 | H5 | 107.6° | 109.4° |
| O09 | C08 | C07 | 119.9° | 119.9° |
| O09 | C08 | C10 | 119.9° | 119.9° |
| C08 | O09 | H10 | 109.5° | 114.0° |
| C02 | C03 | C04 | 122.3° | 120.0° |
| C03 | C02 | H4 | 107.6° | 109.5° |
| C03 | C02 | H5 | 107.6° | 109.5° |
| C03 | C04 | C05 | 119.8° | 120.0° |
| C03 | C04 | C12 | 123.0° | 120.0° |
| C07 | C08 | C10 | 120.2° | 120.2° |
| C08 | C07 | C06 | 119.9° | 120.1° |
| C08 | C07 | H9 | 120.0° | 120.0° |
| C08 | C10 | C11 | 119.8° | 120.1° |
| C08 | C10 | H11 | 120.0° | 120.0° |
| C07 | C06 | C05 | 120.1° | 119.9° |
| C07 | C06 | H8 | 119.9° | 120.1° |
| C06 | C07 | H9 | 120.1° | 119.9° |
| C10 | C11 | C05 | 120.2° | 119.9° |
| C11 | C10 | H11 | 120.1° | 119.9° |
| C10 | C11 | H12 | 119.9° | 120.1° |
| C06 | C05 | C11 | 119.8° | 119.8° |
| C06 | C05 | C04 | 120.0° | 120.0° |
| C05 | C06 | H8 | 120.0° | 120.1° |
| C11 | C05 | C04 | 120.3° | 120.1° |
| C05 | C11 | H12 | 119.9° | 120.0° |
| C05 | C04 | C12 | 116.9° | 120.1° |
| C04 | C12 | C13 | 121.2° | 120.1° |
| C04 | C12 | C18 | 119.8° | 120.1° |
| C12 | C13 | C14 | 120.7° | 119.9° |
| C13 | C12 | C18 | 119.1° | 119.8° |
| C12 | C13 | H13 | 119.6° | 120.0° |
| C13 | C14 | C15 | 119.9° | 120.1° |
| C14 | C13 | H13 | 119.7° | 120.0° |
| C13 | C14 | H14 | 120.0° | 120.0° |
| C12 | C18 | C17 | 120.4° | 119.9° |
| C12 | C18 | H17 | 119.8° | 120.1° |
| C14 | C15 | C17 | 119.9° | 120.2° |
| C14 | C15 | O16 | 119.8° | 119.9° |
| C15 | C14 | H14 | 120.1° | 119.9° |
| C18 | C17 | C15 | 120.0° | 120.0° |
| C18 | C17 | H16 | 120.0° | 120.0° |
| C17 | C18 | H17 | 119.8° | 120.0° |
| C17 | C15 | O16 | 120.3° | 119.9° |
| C15 | C17 | H16 | 120.0° | 120.0° |
| C15 | O16 | H15 | 109.5° | 114.0° |
| H1 | C01 | H2 | 109.4° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H4 | C02 | H5 | 109.5° | 109.5° |
| H25 | C30 | H26 | 109.4° | 109.5° |
| H25 | C30 | H27 | 109.5° | 109.5° |
| H26 | C30 | H27 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C30 | C29 | C28 | C31 | 180.0° | 179.8° |
| C30 | C29 | C28 | C27 | 180.0° | 180.0° |
| C30 | C29 | C31 | C25 | 179.6° | 179.7° |
| C30 | C29 | C28 | H24 | 0.0° | 0.2° |
| C29 | C30 | H25 | H26 | 120.0° | 120.0° |
| C29 | C30 | H25 | H27 | 120.0° | 120.0° |
| C29 | C30 | H26 | H27 | 120.0° | 120.0° |
| C30 | C29 | C31 | H28 | 0.4° | 0.2° |
| C29 | C28 | C27 | H24 | 180.0° | 179.8° |
| C29 | C28 | C27 | C26 | 0.2° | 0.0° |
| C28 | C29 | C31 | C25 | 0.4° | 0.5° |
| C29 | C28 | C27 | H23 | 179.8° | 180.0° |
| C28 | C29 | C30 | H25 | 90.0° | 90.0° |
| C28 | C29 | C30 | H26 | 150.0° | 150.0° |
| C28 | C29 | C30 | H27 | 30.0° | 30.0° |
| C28 | C29 | C31 | H28 | 179.7° | 180.0° |
| C27 | C28 | C29 | C31 | 0.0° | 0.2° |
| C28 | C27 | C26 | H23 | 180.0° | 180.0° |
| C28 | C27 | C26 | C25 | 0.1° | 0.0° |
| C28 | C27 | C26 | H22 | 179.9° | 179.9° |
| C29 | C31 | C25 | H28 | 180.0° | 179.4° |
| C29 | C31 | C25 | C26 | 0.5° | 0.6° |
| C29 | C31 | C25 | N24 | 179.6° | 179.8° |
| C31 | C29 | C28 | H24 | 180.0° | 180.0° |
| C31 | C29 | C30 | H25 | 90.0° | 89.8° |
| C31 | C29 | C30 | H26 | 30.0° | 30.2° |
| C31 | C29 | C30 | H27 | 150.0° | 150.3° |
| C27 | C26 | C25 | C31 | 0.3° | 0.4° |
| C27 | C26 | C25 | H22 | 180.0° | 179.9° |
| C27 | C26 | C25 | N24 | 179.4° | 180.0° |
| C26 | C27 | C28 | H24 | 179.8° | 179.7° |
| C31 | C25 | C26 | N24 | 179.1° | 179.6° |
| C31 | C25 | N24 | C23 | 97.9° | 150.2° |
| C31 | C25 | N24 | H21 | 82.0° | 29.6° |
| C31 | C25 | C26 | H22 | 179.7° | 179.7° |
| C26 | C25 | N24 | C23 | 83.0° | 30.1° |
| C26 | C25 | N24 | H21 | 97.0° | 150.0° |
| C25 | C26 | C27 | H23 | 179.9° | 180.0° |
| C26 | C25 | C31 | H28 | 179.5° | 180.0° |
| C25 | N24 | C23 | C22 | 1.2° | 150.0° |
| C25 | N24 | C23 | H21 | 180.0° | 179.9° |
| C25 | N24 | C23 | C32 | 179.1° | 30.2° |
| N24 | C25 | C26 | H22 | 0.6° | 0.1° |
| N24 | C25 | C31 | H28 | 0.4° | 0.3° |
| C21 | C22 | C23 | H20 | 180.0° | 180.0° |
| C22 | C21 | C20 | H19 | 180.0° | 180.0° |
| C21 | C22 | C23 | N24 | 179.7° | 180.0° |
| C21 | C22 | C23 | C32 | 0.1° | 0.3° |
| C22 | C21 | C20 | C19 | 0.5° | 0.0° |
| C22 | C21 | C20 | H18 | 179.5° | 180.0° |
| C23 | C22 | C21 | C20 | 0.2° | 0.0° |
| C22 | C23 | N24 | C32 | 179.6° | 179.7° |
| C22 | C23 | C32 | C19 | 0.4° | 0.6° |
| C23 | C22 | C21 | H19 | 179.8° | 180.0° |
| C22 | C23 | N24 | H21 | 178.7° | 30.1° |
| C22 | C23 | C32 | H29 | 179.6° | 180.0° |
| C21 | C20 | C19 | H18 | 180.0° | 180.0° |
| C21 | C20 | C19 | C32 | 0.8° | 0.3° |
| C21 | C20 | C19 | C03 | 179.7° | 180.0° |
| C20 | C21 | C22 | H20 | 179.8° | 180.0° |
| N24 | C23 | C32 | C19 | 179.9° | 179.7° |
| N24 | C23 | C22 | H20 | 0.3° | 0.0° |
| N24 | C23 | C32 | H29 | 0.1° | 0.3° |
| C23 | C32 | C19 | C20 | 0.8° | 0.6° |
| C23 | C32 | C19 | H29 | 180.0° | 179.4° |
| C23 | C32 | C19 | C03 | 179.7° | 179.7° |
| C32 | C23 | C22 | H20 | 179.9° | 179.7° |
| C32 | C23 | N24 | H21 | 0.9° | 149.6° |
| C20 | C19 | C32 | C03 | 178.9° | 179.7° |
| C20 | C19 | C03 | C02 | 136.9° | 113.5° |
| C20 | C19 | C03 | C04 | 62.0° | 66.5° |
| C19 | C20 | C21 | H19 | 179.5° | 180.0° |
| C20 | C19 | C32 | H29 | 179.2° | 180.0° |
| C32 | C19 | C03 | C02 | 42.0° | 66.2° |
| C32 | C19 | C03 | C04 | 119.1° | 113.8° |
| C32 | C19 | C20 | H18 | 179.1° | 179.7° |
| C19 | C03 | C02 | C01 | 78.2° | 85.8° |
| C19 | C03 | C02 | C04 | 161.0° | 180.0° |
| C19 | C03 | C04 | C05 | 8.9° | 176.5° |
| C19 | C03 | C04 | C12 | 165.2° | 3.5° |
| C19 | C03 | C02 | H4 | 42.8° | 34.2° |
| C19 | C03 | C02 | H5 | 160.7° | 154.2° |
| C03 | C19 | C20 | H18 | 0.3° | 0.0° |
| C03 | C19 | C32 | H29 | 0.3° | 0.3° |
| C01 | C02 | C03 | H4 | 121.0° | 120.0° |
| C01 | C02 | C03 | H5 | 121.0° | 120.0° |
| C01 | C02 | C03 | C04 | 120.8° | 94.2° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | H4 | H5 | 116.7° | 120.0° |
| O09 | C08 | C07 | C10 | 179.9° | 180.0° |
| O09 | C08 | C07 | C06 | 179.8° | 180.0° |
| O09 | C08 | C10 | C11 | 180.0° | 179.7° |
| O09 | C08 | C07 | H9 | 0.2° | 0.1° |
| O09 | C08 | C10 | H11 | 0.0° | 0.0° |
| C02 | C03 | C04 | C05 | 150.5° | 3.5° |
| C02 | C03 | C04 | C12 | 35.4° | 176.5° |
| C03 | C02 | C01 | H1 | 180.0° | 175.0° |
| C03 | C02 | C01 | H2 | 60.0° | 65.0° |
| C03 | C02 | C01 | H3 | 60.0° | 55.0° |
| C03 | C02 | H4 | H5 | 116.7° | 120.0° |
| C03 | C04 | C05 | C06 | 116.1° | 111.3° |
| C03 | C04 | C05 | C11 | 64.0° | 69.0° |
| C03 | C04 | C05 | C12 | 174.5° | 180.0° |
| C03 | C04 | C12 | C13 | 37.6° | 67.2° |
| C03 | C04 | C12 | C18 | 143.3° | 113.1° |
| C04 | C03 | C02 | H4 | 118.1° | 145.8° |
| C04 | C03 | C02 | H5 | 0.2° | 25.8° |
| C08 | C07 | C06 | H9 | 180.0° | 179.9° |
| C07 | C08 | C10 | C11 | 0.1° | 0.2° |
| C08 | C07 | C06 | C05 | 0.2° | 0.0° |
| C08 | C07 | C06 | H8 | 179.8° | 180.0° |
| C07 | C08 | O09 | H10 | 180.0° | 90.0° |
| C07 | C08 | C10 | H11 | 179.9° | 180.0° |
| C10 | C08 | C07 | C06 | 0.1° | 0.0° |
| C08 | C10 | C11 | H11 | 180.0° | 179.8° |
| C08 | C10 | C11 | C05 | 0.3° | 0.5° |
| C10 | C08 | C07 | H9 | 179.9° | 180.0° |
| C10 | C08 | O09 | H10 | 0.1° | 90.0° |
| C08 | C10 | C11 | H12 | 179.7° | 180.0° |
| C07 | C06 | C05 | H8 | 180.0° | 180.0° |
| C07 | C06 | C05 | C11 | 0.0° | 0.3° |
| C07 | C06 | C05 | C04 | 179.9° | 179.9° |
| C10 | C11 | C05 | C06 | 0.3° | 0.5° |
| C10 | C11 | C05 | H12 | 180.0° | 179.5° |
| C10 | C11 | C05 | C04 | 179.8° | 179.8° |
| C06 | C05 | C11 | C04 | 179.9° | 179.7° |
| C06 | C05 | C04 | C12 | 58.4° | 68.7° |
| C05 | C06 | C07 | H9 | 179.8° | 180.0° |
| C06 | C05 | C11 | H12 | 179.7° | 180.0° |
| C11 | C05 | C04 | C12 | 121.5° | 110.9° |
| C11 | C05 | C06 | H8 | 180.0° | 179.7° |
| C05 | C11 | C10 | H11 | 179.7° | 179.7° |
| C05 | C04 | C12 | C13 | 136.7° | 112.7° |
| C05 | C04 | C12 | C18 | 42.4° | 67.0° |
| C04 | C05 | C06 | H8 | 0.0° | 0.1° |
| C04 | C05 | C11 | H12 | 0.2° | 0.3° |
| C04 | C12 | C13 | C18 | 179.1° | 179.7° |
| C04 | C12 | C13 | C14 | 180.0° | 180.0° |
| C04 | C12 | C18 | C17 | 179.7° | 179.8° |
| C04 | C12 | C13 | H13 | 0.0° | 0.1° |
| C04 | C12 | C18 | H17 | 0.3° | 0.0° |
| C12 | C13 | C14 | H13 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 0.8° | 0.0° |
| C13 | C12 | C18 | C17 | 0.6° | 0.5° |
| C12 | C13 | C14 | H14 | 179.2° | 180.0° |
| C13 | C12 | C18 | H17 | 179.4° | 179.7° |
| C14 | C13 | C12 | C18 | 1.0° | 0.2° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C17 | 0.3° | 0.1° |
| C13 | C14 | C15 | O16 | 179.7° | 180.0° |
| C12 | C18 | C17 | H17 | 180.0° | 179.8° |
| C12 | C18 | C17 | C15 | 0.2° | 0.5° |
| C18 | C12 | C13 | H13 | 179.0° | 179.8° |
| C12 | C18 | C17 | H16 | 179.8° | 179.7° |
| C14 | C15 | C17 | C18 | 0.0° | 0.2° |
| C14 | C15 | C17 | O16 | 179.9° | 180.0° |
| C15 | C14 | C13 | H13 | 179.2° | 179.9° |
| C14 | C15 | O16 | H15 | 180.0° | 90.0° |
| C14 | C15 | C17 | H16 | 180.0° | 180.0° |
| C18 | C17 | C15 | H16 | 180.0° | 179.8° |
| C18 | C17 | C15 | O16 | 179.9° | 179.8° |
| C17 | C15 | C14 | H14 | 179.7° | 180.0° |
| C17 | C15 | O16 | H15 | 0.1° | 90.0° |
| C15 | C17 | C18 | H17 | 179.8° | 179.7° |
| O16 | C15 | C14 | H14 | 0.3° | 0.0° |
| O16 | C15 | C17 | H16 | 0.0° | 0.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H1 | C01 | C02 | H4 | 59.0° | 65.0° |
| H1 | C01 | C02 | H5 | 59.0° | 55.0° |
| H2 | C01 | C02 | H4 | 61.0° | 55.0° |
| H2 | C01 | C02 | H5 | 179.0° | 175.0° |
| H3 | C01 | C02 | H4 | 179.0° | 175.1° |
| H3 | C01 | C02 | H5 | 61.0° | 65.0° |
| H8 | C06 | C07 | H9 | 0.2° | 0.0° |
| H11 | C10 | C11 | H12 | 0.3° | 0.2° |
| H13 | C13 | C14 | H14 | 0.8° | 0.0° |
| H16 | C17 | C18 | H17 | 0.2° | 0.1° |
| H18 | C20 | C21 | H19 | 0.5° | 0.0° |
| H19 | C21 | C22 | H20 | 0.2° | 0.0° |
| H22 | C26 | C27 | H23 | 0.0° | 0.1° |
| H23 | C27 | C28 | H24 | 0.2° | 0.2° |
| H25 | C30 | H26 | H27 | 120.0° | 120.0° |
