5K7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O11 | C10 | sing | 1.36Å | 1.38Å | |
| C26 | C25 | doub | 1.38Å | 1.36Å | Aromatic |
| C26 | C02 | sing | 1.39Å | 1.35Å | Aromatic |
| C09 | C10 | doub | 1.39Å | 1.36Å | Aromatic |
| C09 | C08 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C12 | sing | 1.39Å | 1.37Å | Aromatic |
| O01 | C02 | sing | 1.36Å | 1.37Å | |
| C25 | C05 | sing | 1.39Å | 1.37Å | Aromatic |
| C08 | C07 | doub | 1.39Å | 1.36Å | Aromatic |
| C02 | C03 | doub | 1.39Å | 1.36Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.36Å | Aromatic |
| C07 | C13 | sing | 1.39Å | 1.37Å | Aromatic |
| C07 | C06 | sing | 1.48Å | 1.55Å | |
| C05 | C06 | sing | 1.48Å | 1.52Å | |
| C05 | C04 | doub | 1.39Å | 1.37Å | Aromatic |
| C06 | C14 | doub | 1.34Å | 1.38Å | |
| C03 | C04 | sing | 1.38Å | 1.35Å | Aromatic |
| C14 | C15 | sing | 1.51Å | 1.51Å | |
| C14 | C24 | sing | 1.51Å | 1.48Å | |
| C16 | C15 | sing | 1.53Å | 1.51Å | |
| C16 | C17 | sing | 1.53Å | 1.50Å | |
| C23 | C24 | sing | 1.53Å | 1.49Å | |
| C23 | C17 | sing | 1.53Å | 1.50Å | |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| C18 | C19 | sing | 1.51Å | 1.55Å | |
| O20 | C21 | sing | 1.45Å | 1.40Å | |
| O20 | C19 | sing | 1.34Å | 1.38Å | |
| C19 | O22 | doub | 1.21Å | 1.19Å | |
| O01 | H1 | sing | 0.97Å | 0.95Å | |
| C03 | H2 | sing | 1.08Å | 1.08Å | |
| C04 | H3 | sing | 1.08Å | 1.08Å | |
| C08 | H5 | sing | 1.08Å | 1.08Å | |
| C09 | H6 | sing | 1.08Å | 1.08Å | |
| O11 | H7 | sing | 0.97Å | 0.95Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C13 | H9 | sing | 1.08Å | 1.08Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O11 | C10 | C09 | 120.7° | 119.9° |
| O11 | C10 | C12 | 120.1° | 119.9° |
| C10 | O11 | H7 | 109.5° | 114.0° |
| C25 | C26 | C02 | 120.4° | 120.0° |
| C26 | C25 | C05 | 120.1° | 120.0° |
| C26 | C25 | H25 | 120.0° | 120.0° |
| C25 | C26 | H26 | 119.8° | 120.0° |
| C26 | C02 | O01 | 118.2° | 119.9° |
| C26 | C02 | C03 | 120.1° | 120.2° |
| C02 | C26 | H26 | 119.8° | 120.0° |
| C10 | C09 | C08 | 119.3° | 120.1° |
| C09 | C10 | C12 | 119.2° | 120.1° |
| C10 | C09 | H6 | 120.4° | 120.0° |
| C09 | C08 | C07 | 121.4° | 119.9° |
| C09 | C08 | H5 | 119.3° | 120.1° |
| C08 | C09 | H6 | 120.4° | 119.9° |
| C10 | C12 | C13 | 121.3° | 120.1° |
| C10 | C12 | H8 | 119.4° | 120.0° |
| O01 | C02 | C03 | 121.7° | 119.9° |
| C02 | O01 | H1 | 109.5° | 114.1° |
| C25 | C05 | C06 | 118.5° | 120.1° |
| C25 | C05 | C04 | 118.9° | 119.9° |
| C05 | C25 | H25 | 119.9° | 120.0° |
| C08 | C07 | C13 | 118.8° | 119.9° |
| C08 | C07 | C06 | 119.7° | 120.0° |
| C07 | C08 | H5 | 119.3° | 120.0° |
| C02 | C03 | C04 | 119.8° | 120.0° |
| C02 | C03 | H2 | 120.1° | 120.0° |
| C12 | C13 | C07 | 120.0° | 119.9° |
| C13 | C12 | H8 | 119.4° | 119.9° |
| C12 | C13 | H9 | 120.0° | 120.0° |
| C13 | C07 | C06 | 121.5° | 120.1° |
| C07 | C13 | H9 | 120.0° | 120.0° |
| C07 | C06 | C05 | 117.6° | 120.0° |
| C07 | C06 | C14 | 118.3° | 120.0° |
| C06 | C05 | C04 | 122.6° | 120.1° |
| C05 | C06 | C14 | 123.5° | 120.0° |
| C05 | C04 | C03 | 120.7° | 119.9° |
| C05 | C04 | H3 | 119.7° | 120.0° |
| C06 | C14 | C15 | 125.1° | 120.8° |
| C06 | C14 | C24 | 119.1° | 120.9° |
| C04 | C03 | H2 | 120.1° | 120.0° |
| C03 | C04 | H3 | 119.6° | 120.1° |
| C15 | C14 | C24 | 114.1° | 118.3° |
| C14 | C15 | C16 | 112.5° | 108.5° |
| C14 | C15 | H11 | 108.7° | 109.7° |
| C14 | C15 | H12 | 108.7° | 109.7° |
| C14 | C24 | C23 | 110.1° | 108.8° |
| C14 | C24 | H23 | 109.3° | 109.6° |
| C14 | C24 | H24 | 109.3° | 109.6° |
| C15 | C16 | C17 | 113.5° | 109.4° |
| C16 | C15 | H11 | 108.7° | 109.6° |
| C16 | C15 | H12 | 108.7° | 109.7° |
| C15 | C16 | H13 | 108.4° | 109.5° |
| C15 | C16 | H14 | 108.4° | 109.5° |
| C16 | C17 | C23 | 109.6° | 109.8° |
| C16 | C17 | C18 | 111.2° | 109.4° |
| C17 | C16 | H13 | 108.4° | 109.5° |
| C17 | C16 | H14 | 108.5° | 109.5° |
| C16 | C17 | H15 | 109.5° | 109.4° |
| C24 | C23 | C17 | 109.0° | 109.5° |
| C24 | C23 | H21 | 109.6° | 109.5° |
| C24 | C23 | H22 | 109.6° | 109.5° |
| C23 | C24 | H23 | 109.3° | 109.6° |
| C23 | C24 | H24 | 109.3° | 109.5° |
| C23 | C17 | C18 | 107.8° | 109.3° |
| C23 | C17 | H15 | 109.5° | 109.5° |
| C17 | C23 | H21 | 109.6° | 109.6° |
| C17 | C23 | H22 | 109.6° | 109.2° |
| C17 | C18 | C19 | 115.4° | 109.4° |
| C18 | C17 | H15 | 109.2° | 109.4° |
| C17 | C18 | H16 | 108.0° | 109.4° |
| C17 | C18 | H17 | 108.0° | 109.5° |
| C18 | C19 | O20 | 121.2° | 119.9° |
| C18 | C19 | O22 | 120.3° | 120.0° |
| C19 | C18 | H16 | 108.0° | 109.5° |
| C19 | C18 | H17 | 108.0° | 109.5° |
| C21 | O20 | C19 | 113.0° | 117.0° |
| O20 | C21 | H18 | 109.5° | 109.5° |
| O20 | C21 | H19 | 109.5° | 109.5° |
| O20 | C21 | H20 | 109.5° | 109.5° |
| O20 | C19 | O22 | 115.3° | 120.0° |
| H11 | C15 | H12 | 109.5° | 109.6° |
| H13 | C16 | H14 | 109.5° | 109.5° |
| H16 | C18 | H17 | 109.5° | 109.5° |
| H18 | C21 | H19 | 109.4° | 109.5° |
| H18 | C21 | H20 | 109.5° | 109.4° |
| H19 | C21 | H20 | 109.5° | 109.5° |
| H21 | C23 | H22 | 109.5° | 109.5° |
| H23 | C24 | H24 | 109.4° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O11 | C10 | C09 | C12 | 180.0° | 180.0° |
| O11 | C10 | C09 | C08 | 179.9° | 180.0° |
| O11 | C10 | C12 | C13 | 179.8° | 180.0° |
| O11 | C10 | C09 | H6 | 0.1° | 0.0° |
| O11 | C10 | C12 | H8 | 0.2° | 0.0° |
| C25 | C26 | C02 | H26 | 180.0° | 179.6° |
| C25 | C26 | C02 | O01 | 179.7° | 179.7° |
| C26 | C25 | C05 | H25 | 180.0° | 179.8° |
| C25 | C26 | C02 | C03 | 1.2° | 0.5° |
| C26 | C25 | C05 | C06 | 179.0° | 179.8° |
| C26 | C25 | C05 | C04 | 0.0° | 0.2° |
| C26 | C02 | O01 | C03 | 179.1° | 179.8° |
| C02 | C26 | C25 | C05 | 0.7° | 0.5° |
| C26 | C02 | C03 | C04 | 1.0° | 0.2° |
| C26 | C02 | O01 | H1 | 180.0° | 90.2° |
| C26 | C02 | C03 | H2 | 179.0° | 179.7° |
| C02 | C26 | C25 | H25 | 179.3° | 179.8° |
| C10 | C09 | C08 | H6 | 180.0° | 180.0° |
| C10 | C09 | C08 | C07 | 0.4° | 0.0° |
| C09 | C10 | C12 | C13 | 0.1° | 0.0° |
| C10 | C09 | C08 | H5 | 179.6° | 180.0° |
| C09 | C10 | O11 | H7 | 180.0° | 89.9° |
| C09 | C10 | C12 | H8 | 179.9° | 180.0° |
| C08 | C09 | C10 | C12 | 0.1° | 0.0° |
| C09 | C08 | C07 | H5 | 180.0° | 180.0° |
| C09 | C08 | C07 | C13 | 0.5° | 0.0° |
| C09 | C08 | C07 | C06 | 179.8° | 179.7° |
| C10 | C12 | C13 | H8 | 180.0° | 180.0° |
| C10 | C12 | C13 | C07 | 0.1° | 0.0° |
| C12 | C10 | C09 | H6 | 179.9° | 180.0° |
| C12 | C10 | O11 | H7 | 0.0° | 90.1° |
| C10 | C12 | C13 | H9 | 179.9° | 179.7° |
| O01 | C02 | C03 | C04 | 179.9° | 180.0° |
| O01 | C02 | C03 | H2 | 0.1° | 0.1° |
| O01 | C02 | C26 | H26 | 0.3° | 0.2° |
| C25 | C05 | C06 | C07 | 35.5° | 115.0° |
| C25 | C05 | C06 | C04 | 179.0° | 180.0° |
| C25 | C05 | C06 | C14 | 154.0° | 65.0° |
| C25 | C05 | C04 | C03 | 0.2° | 0.0° |
| C25 | C05 | C04 | H3 | 179.9° | 180.0° |
| C05 | C25 | C26 | H26 | 179.3° | 180.0° |
| C08 | C07 | C13 | C12 | 0.3° | 0.0° |
| C08 | C07 | C13 | C06 | 179.3° | 179.7° |
| C08 | C07 | C06 | C05 | 119.2° | 115.3° |
| C08 | C07 | C06 | C14 | 69.7° | 64.7° |
| C07 | C08 | C09 | H6 | 179.6° | 180.0° |
| C08 | C07 | C13 | H9 | 179.7° | 179.7° |
| C02 | C03 | C04 | C05 | 0.3° | 0.0° |
| C02 | C03 | C04 | H2 | 180.0° | 180.0° |
| C03 | C02 | O01 | H1 | 0.9° | 90.0° |
| C02 | C03 | C04 | H3 | 179.6° | 180.0° |
| C03 | C02 | C26 | H26 | 178.8° | 180.0° |
| C12 | C13 | C07 | H9 | 180.0° | 179.7° |
| C12 | C13 | C07 | C06 | 179.6° | 179.7° |
| C13 | C07 | C06 | C05 | 60.0° | 65.0° |
| C13 | C07 | C06 | C14 | 111.0° | 115.0° |
| C13 | C07 | C08 | H5 | 179.5° | 180.0° |
| C07 | C13 | C12 | H8 | 179.9° | 180.0° |
| C07 | C06 | C05 | C14 | 170.5° | 180.0° |
| C07 | C06 | C05 | C04 | 143.5° | 65.0° |
| C07 | C06 | C14 | C15 | 151.2° | 0.0° |
| C07 | C06 | C14 | C24 | 13.0° | 179.7° |
| C06 | C07 | C08 | H5 | 0.2° | 0.3° |
| C06 | C07 | C13 | H9 | 0.4° | 0.0° |
| C06 | C05 | C04 | C03 | 179.1° | 180.0° |
| C05 | C06 | C14 | C15 | 38.3° | 180.0° |
| C05 | C06 | C14 | C24 | 157.5° | 0.3° |
| C06 | C05 | C04 | H3 | 0.9° | 0.1° |
| C06 | C05 | C25 | H25 | 1.0° | 0.0° |
| C04 | C05 | C06 | C14 | 27.1° | 115.0° |
| C05 | C04 | C03 | H3 | 180.0° | 179.9° |
| C05 | C04 | C03 | H2 | 179.7° | 180.0° |
| C04 | C05 | C25 | H25 | 180.0° | 180.0° |
| C06 | C14 | C15 | C24 | 164.9° | 179.8° |
| C06 | C14 | C15 | C16 | 120.1° | 128.7° |
| C06 | C14 | C24 | C23 | 111.5° | 128.7° |
| C06 | C14 | C15 | H11 | 119.4° | 111.7° |
| C06 | C14 | C15 | H12 | 0.3° | 8.8° |
| C06 | C14 | C24 | H23 | 8.6° | 8.9° |
| C06 | C14 | C24 | H24 | 128.4° | 111.6° |
| C14 | C15 | C16 | H11 | 120.5° | 119.7° |
| C14 | C15 | C16 | H12 | 120.4° | 119.8° |
| C14 | C15 | C16 | C17 | 44.3° | 54.6° |
| C15 | C14 | C24 | C23 | 54.3° | 51.1° |
| C14 | C15 | H11 | H12 | 118.6° | 120.5° |
| C14 | C15 | C16 | H13 | 164.9° | 174.6° |
| C14 | C15 | C16 | H14 | 76.3° | 65.4° |
| C15 | C14 | C24 | H23 | 174.5° | 170.9° |
| C15 | C14 | C24 | H24 | 65.8° | 68.6° |
| C24 | C14 | C15 | C16 | 44.7° | 51.1° |
| C14 | C24 | C23 | H23 | 120.1° | 119.8° |
| C14 | C24 | C23 | H24 | 120.1° | 119.8° |
| C14 | C24 | C23 | C17 | 62.9° | 54.4° |
| C24 | C14 | C15 | H11 | 75.7° | 68.6° |
| C24 | C14 | C15 | H12 | 165.2° | 171.0° |
| C14 | C24 | C23 | H21 | 57.0° | 174.6° |
| C14 | C24 | C23 | H22 | 177.2° | 65.3° |
| C14 | C24 | H23 | H24 | 119.7° | 120.5° |
| C15 | C16 | C17 | H13 | 120.6° | 119.9° |
| C15 | C16 | C17 | H14 | 120.6° | 120.0° |
| C15 | C16 | C17 | C23 | 53.7° | 63.6° |
| C15 | C16 | C17 | C18 | 172.8° | 176.4° |
| C16 | C15 | H11 | H12 | 118.6° | 120.5° |
| C15 | C16 | H13 | H14 | 118.1° | 120.0° |
| C15 | C16 | C17 | H15 | 66.5° | 56.5° |
| C16 | C17 | C23 | C24 | 62.4° | 63.5° |
| C16 | C17 | C23 | C18 | 121.2° | 120.0° |
| C16 | C17 | C23 | H15 | 120.1° | 120.1° |
| C16 | C17 | C18 | H15 | 120.9° | 119.8° |
| C16 | C17 | C18 | C19 | 175.4° | 175.0° |
| C17 | C16 | C15 | H11 | 76.1° | 65.1° |
| C17 | C16 | C15 | H12 | 164.8° | 174.5° |
| C17 | C16 | H13 | H14 | 118.1° | 120.1° |
| C16 | C17 | C18 | H16 | 54.5° | 55.0° |
| C16 | C17 | C18 | H17 | 63.8° | 65.0° |
| C16 | C17 | C23 | H21 | 57.5° | 176.4° |
| C16 | C17 | C23 | H22 | 177.6° | 56.4° |
| C24 | C23 | C17 | H21 | 119.9° | 120.1° |
| C24 | C23 | C17 | H22 | 119.9° | 119.9° |
| C24 | C23 | C17 | C18 | 176.3° | 176.5° |
| C24 | C23 | C17 | H15 | 57.7° | 56.7° |
| C24 | C23 | H21 | H22 | 120.2° | 120.1° |
| C23 | C24 | H23 | H24 | 119.7° | 120.2° |
| C23 | C17 | C18 | H15 | 118.9° | 119.9° |
| C23 | C17 | C18 | C19 | 64.4° | 64.7° |
| C23 | C17 | C16 | H13 | 174.3° | 176.4° |
| C23 | C17 | C16 | H14 | 67.0° | 56.4° |
| C23 | C17 | C18 | H16 | 174.7° | 175.3° |
| C23 | C17 | C18 | H17 | 56.4° | 55.3° |
| C17 | C23 | H21 | H22 | 120.2° | 119.8° |
| C17 | C23 | C24 | H23 | 177.0° | 174.2° |
| C17 | C23 | C24 | H24 | 57.2° | 65.4° |
| C17 | C18 | C19 | H16 | 120.8° | 120.0° |
| C17 | C18 | C19 | H17 | 120.9° | 120.0° |
| C17 | C18 | C19 | O20 | 159.3° | 180.0° |
| C17 | C18 | C19 | O22 | 42.1° | 0.0° |
| C18 | C17 | C16 | H13 | 66.6° | 56.4° |
| C18 | C17 | C16 | H14 | 52.1° | 63.6° |
| C17 | C18 | H16 | H17 | 117.3° | 120.0° |
| C18 | C17 | C23 | H21 | 63.7° | 56.3° |
| C18 | C17 | C23 | H22 | 56.4° | 63.6° |
| C18 | C19 | O20 | C21 | 141.6° | 180.0° |
| C18 | C19 | O20 | O22 | 159.6° | 180.0° |
| C19 | C18 | C17 | H15 | 54.5° | 55.2° |
| C19 | C18 | H16 | H17 | 117.3° | 120.1° |
| C21 | O20 | C19 | O22 | 58.9° | 0.0° |
| O20 | C21 | H18 | H19 | 120.0° | 120.0° |
| O20 | C21 | H18 | H20 | 120.0° | 120.0° |
| O20 | C21 | H19 | H20 | 120.0° | 120.0° |
| O20 | C19 | C18 | H16 | 79.8° | 60.0° |
| O20 | C19 | C18 | H17 | 38.5° | 60.0° |
| C19 | O20 | C21 | H18 | 180.0° | 60.0° |
| C19 | O20 | C21 | H19 | 60.0° | 60.0° |
| C19 | O20 | C21 | H20 | 60.0° | 180.0° |
| O22 | C19 | C18 | H16 | 78.7° | 119.9° |
| O22 | C19 | C18 | H17 | 163.0° | 120.0° |
| H2 | C03 | C04 | H3 | 0.3° | 0.1° |
| H5 | C08 | C09 | H6 | 0.4° | 0.0° |
| H8 | C12 | C13 | H9 | 0.1° | 0.3° |
| H11 | C15 | C16 | H13 | 44.5° | 54.9° |
| H11 | C15 | C16 | H14 | 163.2° | 174.9° |
| H12 | C15 | C16 | H13 | 74.6° | 65.6° |
| H12 | C15 | C16 | H14 | 44.2° | 54.5° |
| H13 | C16 | C17 | H15 | 54.1° | 63.4° |
| H14 | C16 | C17 | H15 | 172.9° | 176.5° |
| H15 | C17 | C18 | H16 | 66.4° | 64.8° |
| H15 | C17 | C18 | H17 | 175.3° | 175.2° |
| H15 | C17 | C23 | H21 | 177.6° | 63.5° |
| H15 | C17 | C23 | H22 | 62.3° | 176.5° |
| H18 | C21 | H19 | H20 | 120.0° | 120.0° |
| H21 | C23 | C24 | H23 | 63.1° | 65.6° |
| H21 | C23 | C24 | H24 | 177.1° | 54.8° |
| H22 | C23 | C24 | H23 | 57.0° | 54.5° |
| H22 | C23 | C24 | H24 | 62.7° | 174.9° |
| H25 | C25 | C26 | H26 | 0.7° | 0.2° |
