EE6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O26 | C23 | sing | 1.36Å | 1.40Å | |
| C24 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.39Å | 1.38Å | Aromatic |
| C25 | C20 | doub | 1.40Å | 1.38Å | Aromatic |
| C22 | C27 | sing | 1.51Å | 1.51Å | |
| C22 | C21 | doub | 1.38Å | 1.36Å | Aromatic |
| C27 | C28 | sing | 1.51Å | 1.54Å | |
| C21 | C20 | sing | 1.40Å | 1.37Å | Aromatic |
| C20 | C19 | sing | 1.47Å | 1.53Å | |
| C28 | C29 | doub | 1.31Å | 1.34Å | |
| C17 | C16 | sing | 1.51Å | 1.52Å | |
| C31 | C29 | sing | 1.51Å | 1.53Å | |
| C29 | C30 | sing | 1.51Å | 1.53Å | |
| C19 | C02 | doub | 1.36Å | 1.33Å | |
| C16 | C18 | sing | 1.51Å | 1.53Å | |
| C16 | C15 | doub | 1.31Å | 1.31Å | |
| C02 | C01 | sing | 1.42Å | 1.39Å | |
| C02 | O04 | sing | 1.36Å | 1.32Å | |
| O06 | C01 | sing | 1.35Å | 1.39Å | |
| C01 | C03 | doub | 1.39Å | 1.41Å | |
| C15 | C14 | sing | 1.51Å | 1.53Å | |
| O04 | C05 | sing | 1.35Å | 1.32Å | |
| C03 | C05 | sing | 1.42Å | 1.40Å | |
| C03 | C07 | sing | 1.48Å | 1.53Å | |
| C05 | O32 | doub | 1.22Å | 1.18Å | |
| C08 | C07 | doub | 1.40Å | 1.39Å | Aromatic |
| C08 | C09 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C09 | sing | 1.51Å | 1.53Å | |
| C07 | C12 | sing | 1.40Å | 1.38Å | Aromatic |
| C09 | C10 | doub | 1.39Å | 1.38Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | O13 | sing | 1.36Å | 1.40Å | |
| C15 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H5 | sing | 1.08Å | 1.08Å | |
| C24 | H6 | sing | 1.08Å | 1.08Å | |
| C28 | H7 | sing | 1.08Å | 1.08Å | |
| C08 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.08Å | 1.08Å | |
| C25 | H19 | sing | 1.08Å | 1.08Å | |
| C27 | H20 | sing | 1.09Å | 1.10Å | |
| C27 | H21 | sing | 1.09Å | 1.10Å | |
| C30 | H22 | sing | 1.09Å | 1.10Å | |
| C30 | H23 | sing | 1.09Å | 1.10Å | |
| C30 | H24 | sing | 1.09Å | 1.10Å | |
| C31 | H25 | sing | 1.09Å | 1.10Å | |
| C31 | H26 | sing | 1.09Å | 1.10Å | |
| C31 | H27 | sing | 1.09Å | 1.10Å | |
| O06 | H28 | sing | 0.97Å | 0.95Å | |
| O13 | H29 | sing | 0.97Å | 0.95Å | |
| O26 | H30 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O26 | C23 | C24 | 120.1° | 119.9° |
| O26 | C23 | C22 | 120.4° | 119.9° |
| C23 | O26 | H30 | 109.5° | 114.0° |
| C23 | C24 | C25 | 120.6° | 120.2° |
| C24 | C23 | C22 | 119.5° | 120.2° |
| C23 | C24 | H6 | 119.7° | 119.9° |
| C24 | C25 | C20 | 119.3° | 119.9° |
| C25 | C24 | H6 | 119.7° | 119.9° |
| C24 | C25 | H19 | 120.3° | 120.1° |
| C23 | C22 | C27 | 121.4° | 119.9° |
| C23 | C22 | C21 | 118.5° | 120.2° |
| C25 | C20 | C21 | 118.3° | 119.7° |
| C25 | C20 | C19 | 123.9° | 120.1° |
| C20 | C25 | H19 | 120.3° | 120.0° |
| C27 | C22 | C21 | 120.1° | 119.9° |
| C22 | C27 | C28 | 121.0° | 109.5° |
| C22 | C27 | H20 | 106.5° | 109.5° |
| C22 | C27 | H21 | 106.5° | 109.5° |
| C22 | C21 | C20 | 123.7° | 119.9° |
| C22 | C21 | H5 | 118.2° | 120.1° |
| C27 | C28 | C29 | 132.2° | 120.0° |
| C27 | C28 | H7 | 113.9° | 120.0° |
| C28 | C27 | H20 | 106.5° | 109.4° |
| C28 | C27 | H21 | 106.5° | 109.4° |
| C21 | C20 | C19 | 117.8° | 120.2° |
| C20 | C21 | H5 | 118.2° | 120.1° |
| C20 | C19 | C02 | 117.9° | 120.0° |
| C20 | C19 | H17 | 121.1° | 120.0° |
| C28 | C29 | C31 | 126.1° | 120.0° |
| C28 | C29 | C30 | 117.1° | 120.0° |
| C29 | C28 | H7 | 113.9° | 120.0° |
| C17 | C16 | C18 | 119.8° | 120.0° |
| C17 | C16 | C15 | 120.4° | 120.0° |
| C16 | C17 | H2 | 109.5° | 109.5° |
| C16 | C17 | H3 | 109.5° | 109.5° |
| C16 | C17 | H4 | 109.4° | 109.4° |
| C31 | C29 | C30 | 116.8° | 119.9° |
| C29 | C31 | H25 | 109.5° | 109.5° |
| C29 | C31 | H26 | 109.5° | 109.5° |
| C29 | C31 | H27 | 109.5° | 109.5° |
| C29 | C30 | H22 | 109.5° | 109.5° |
| C29 | C30 | H23 | 109.5° | 109.5° |
| C29 | C30 | H24 | 109.5° | 109.5° |
| C19 | C02 | C01 | 124.4° | 125.9° |
| C19 | C02 | O04 | 129.0° | 125.9° |
| C02 | C19 | H17 | 121.1° | 120.0° |
| C18 | C16 | C15 | 119.9° | 120.0° |
| C16 | C18 | H14 | 109.5° | 109.4° |
| C16 | C18 | H15 | 109.5° | 109.5° |
| C16 | C18 | H16 | 109.5° | 109.5° |
| C16 | C15 | C14 | 118.1° | 120.0° |
| C16 | C15 | H1 | 121.0° | 120.0° |
| C01 | C02 | O04 | 106.6° | 108.2° |
| C02 | C01 | O06 | 128.2° | 126.6° |
| C02 | C01 | C03 | 107.6° | 106.8° |
| C02 | O04 | C05 | 112.7° | 109.6° |
| O06 | C01 | C03 | 124.1° | 126.6° |
| C01 | O06 | H28 | 109.5° | 114.0° |
| C01 | C03 | C05 | 105.0° | 106.8° |
| C01 | C03 | C07 | 119.0° | 126.6° |
| C15 | C14 | C09 | 115.8° | 109.5° |
| C14 | C15 | H1 | 121.0° | 120.0° |
| C15 | C14 | H12 | 107.9° | 109.4° |
| C15 | C14 | H13 | 107.9° | 109.5° |
| O04 | C05 | C03 | 108.0° | 108.5° |
| O04 | C05 | O32 | 125.3° | 125.7° |
| C05 | C03 | C07 | 135.9° | 126.5° |
| C03 | C05 | O32 | 126.7° | 125.7° |
| C03 | C07 | C08 | 117.3° | 120.1° |
| C03 | C07 | C12 | 122.9° | 120.0° |
| C07 | C08 | C09 | 120.7° | 119.9° |
| C08 | C07 | C12 | 119.7° | 119.9° |
| C07 | C08 | H9 | 119.7° | 120.0° |
| C08 | C09 | C14 | 120.4° | 119.9° |
| C08 | C09 | C10 | 119.6° | 120.1° |
| C09 | C08 | H9 | 119.6° | 120.1° |
| C14 | C09 | C10 | 120.0° | 120.0° |
| C09 | C14 | H12 | 107.9° | 109.5° |
| C09 | C14 | H13 | 107.9° | 109.5° |
| C07 | C12 | C11 | 119.8° | 119.9° |
| C07 | C12 | H11 | 120.1° | 120.0° |
| C09 | C10 | C11 | 119.9° | 120.1° |
| C09 | C10 | O13 | 119.4° | 119.9° |
| C12 | C11 | C10 | 120.3° | 120.1° |
| C12 | C11 | H10 | 119.9° | 120.0° |
| C11 | C12 | H11 | 120.1° | 120.1° |
| C11 | C10 | O13 | 120.7° | 119.9° |
| C10 | C11 | H10 | 119.8° | 119.9° |
| C10 | O13 | H29 | 109.5° | 114.0° |
| H2 | C17 | H3 | 109.5° | 109.5° |
| H2 | C17 | H4 | 109.5° | 109.5° |
| H3 | C17 | H4 | 109.4° | 109.4° |
| H12 | C14 | H13 | 109.5° | 109.4° |
| H14 | C18 | H15 | 109.5° | 109.4° |
| H14 | C18 | H16 | 109.5° | 109.5° |
| H15 | C18 | H16 | 109.5° | 109.5° |
| H20 | C27 | H21 | 109.5° | 109.5° |
| H22 | C30 | H23 | 109.4° | 109.4° |
| H22 | C30 | H24 | 109.5° | 109.5° |
| H23 | C30 | H24 | 109.4° | 109.5° |
| H25 | C31 | H26 | 109.5° | 109.5° |
| H25 | C31 | H27 | 109.5° | 109.4° |
| H26 | C31 | H27 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O26 | C23 | C24 | C22 | 179.6° | 179.8° |
| O26 | C23 | C24 | C25 | 180.0° | 180.0° |
| O26 | C23 | C22 | C27 | 1.4° | 0.3° |
| O26 | C23 | C22 | C21 | 179.4° | 179.7° |
| O26 | C23 | C24 | H6 | 0.0° | 0.2° |
| C23 | C24 | C25 | H6 | 180.0° | 179.7° |
| C23 | C24 | C25 | C20 | 0.0° | 0.6° |
| C24 | C23 | C22 | C27 | 179.0° | 180.0° |
| C24 | C23 | C22 | C21 | 1.0° | 0.1° |
| C23 | C24 | C25 | H19 | 180.0° | 180.0° |
| C24 | C23 | O26 | H30 | 180.0° | 89.9° |
| C25 | C24 | C23 | C22 | 0.4° | 0.3° |
| C24 | C25 | C20 | H19 | 180.0° | 179.4° |
| C24 | C25 | C20 | C21 | 0.2° | 0.6° |
| C24 | C25 | C20 | C19 | 179.8° | 179.7° |
| C23 | C22 | C27 | C21 | 178.0° | 180.0° |
| C23 | C22 | C27 | C28 | 166.3° | 80.0° |
| C23 | C22 | C21 | C20 | 1.3° | 0.1° |
| C23 | C22 | C21 | H5 | 178.8° | 179.9° |
| C22 | C23 | C24 | H6 | 179.6° | 180.0° |
| C23 | C22 | C27 | H20 | 44.7° | 40.0° |
| C23 | C22 | C27 | H21 | 72.1° | 160.0° |
| C22 | C23 | O26 | H30 | 0.4° | 90.3° |
| C25 | C20 | C21 | C22 | 0.9° | 0.3° |
| C25 | C20 | C21 | C19 | 180.0° | 179.7° |
| C25 | C20 | C19 | C02 | 153.6° | 41.4° |
| C25 | C20 | C21 | H5 | 179.2° | 179.6° |
| C20 | C25 | C24 | H6 | 180.0° | 179.7° |
| C25 | C20 | C19 | H17 | 26.4° | 138.7° |
| C22 | C27 | C28 | H20 | 121.6° | 120.0° |
| C22 | C27 | C28 | H21 | 121.6° | 120.0° |
| C27 | C22 | C21 | C20 | 179.3° | 180.0° |
| C22 | C27 | C28 | C29 | 57.6° | 125.5° |
| C27 | C22 | C21 | H5 | 0.8° | 0.1° |
| C22 | C27 | C28 | H7 | 122.4° | 54.5° |
| C22 | C27 | H20 | H21 | 114.8° | 120.1° |
| C21 | C22 | C27 | C28 | 15.7° | 100.0° |
| C22 | C21 | C20 | H5 | 180.0° | 179.9° |
| C22 | C21 | C20 | C19 | 179.2° | 179.9° |
| C21 | C22 | C27 | H20 | 137.4° | 140.1° |
| C21 | C22 | C27 | H21 | 105.8° | 20.0° |
| C27 | C28 | C29 | H7 | 180.0° | 180.0° |
| C27 | C28 | C29 | C31 | 2.9° | 1.1° |
| C27 | C28 | C29 | C30 | 178.5° | 178.9° |
| C28 | C27 | H20 | H21 | 114.8° | 120.0° |
| C21 | C20 | C19 | C02 | 26.5° | 138.9° |
| C21 | C20 | C19 | H17 | 153.5° | 41.0° |
| C21 | C20 | C25 | H19 | 179.8° | 180.0° |
| C20 | C19 | C02 | H17 | 180.0° | 179.9° |
| C20 | C19 | C02 | C01 | 42.3° | 7.4° |
| C20 | C19 | C02 | O04 | 137.1° | 172.5° |
| C19 | C20 | C21 | H5 | 0.8° | 0.1° |
| C19 | C20 | C25 | H19 | 0.2° | 0.3° |
| C28 | C29 | C31 | C30 | 178.7° | 180.0° |
| C29 | C28 | C27 | H20 | 179.2° | 114.5° |
| C29 | C28 | C27 | H21 | 64.0° | 5.5° |
| C28 | C29 | C30 | H22 | 180.0° | 90.0° |
| C28 | C29 | C30 | H23 | 60.0° | 150.0° |
| C28 | C29 | C30 | H24 | 60.0° | 30.0° |
| C28 | C29 | C31 | H25 | 180.0° | 84.3° |
| C28 | C29 | C31 | H26 | 60.0° | 155.6° |
| C28 | C29 | C31 | H27 | 60.0° | 35.6° |
| C17 | C16 | C18 | C15 | 179.9° | 179.9° |
| C17 | C16 | C15 | C14 | 179.4° | 0.0° |
| C17 | C16 | C15 | H1 | 0.6° | 180.0° |
| C16 | C17 | H2 | H3 | 120.0° | 120.1° |
| C16 | C17 | H2 | H4 | 120.0° | 120.0° |
| C16 | C17 | H3 | H4 | 119.9° | 120.0° |
| C17 | C16 | C18 | H14 | 180.0° | 90.0° |
| C17 | C16 | C18 | H15 | 60.0° | 150.0° |
| C17 | C16 | C18 | H16 | 60.0° | 29.9° |
| C31 | C29 | C28 | H7 | 177.2° | 178.9° |
| C31 | C29 | C30 | H22 | 1.2° | 90.0° |
| C31 | C29 | C30 | H23 | 118.8° | 30.0° |
| C31 | C29 | C30 | H24 | 121.2° | 150.1° |
| C29 | C31 | H25 | H26 | 120.0° | 120.1° |
| C29 | C31 | H25 | H27 | 120.0° | 119.9° |
| C29 | C31 | H26 | H27 | 120.0° | 120.0° |
| C30 | C29 | C28 | H7 | 1.5° | 1.1° |
| C29 | C30 | H22 | H23 | 120.0° | 120.1° |
| C29 | C30 | H22 | H24 | 120.0° | 120.0° |
| C29 | C30 | H23 | H24 | 120.0° | 120.0° |
| C30 | C29 | C31 | H25 | 1.3° | 95.7° |
| C30 | C29 | C31 | H26 | 121.4° | 24.3° |
| C30 | C29 | C31 | H27 | 118.7° | 144.4° |
| C19 | C02 | C01 | O04 | 179.5° | 179.9° |
| C19 | C02 | C01 | O06 | 0.5° | 0.2° |
| C19 | C02 | C01 | C03 | 179.2° | 180.0° |
| C19 | C02 | O04 | C05 | 179.4° | 180.0° |
| C18 | C16 | C15 | C14 | 0.7° | 179.9° |
| C18 | C16 | C15 | H1 | 179.4° | 0.0° |
| C18 | C16 | C17 | H2 | 180.0° | 0.0° |
| C18 | C16 | C17 | H3 | 60.0° | 120.0° |
| C18 | C16 | C17 | H4 | 60.0° | 120.1° |
| C16 | C18 | H14 | H15 | 120.0° | 120.0° |
| C16 | C18 | H14 | H16 | 120.0° | 120.0° |
| C16 | C18 | H15 | H16 | 120.0° | 120.1° |
| C16 | C15 | C14 | H1 | 180.0° | 180.0° |
| C16 | C15 | C14 | C09 | 133.6° | 125.0° |
| C15 | C16 | C17 | H2 | 0.1° | 180.0° |
| C15 | C16 | C17 | H3 | 120.0° | 60.0° |
| C15 | C16 | C17 | H4 | 120.1° | 60.0° |
| C16 | C15 | C14 | H12 | 105.5° | 115.0° |
| C16 | C15 | C14 | H13 | 12.6° | 4.9° |
| C15 | C16 | C18 | H14 | 0.1° | 90.0° |
| C15 | C16 | C18 | H15 | 120.0° | 29.9° |
| C15 | C16 | C18 | H16 | 119.9° | 150.0° |
| C02 | C01 | O06 | C03 | 178.5° | 179.7° |
| C01 | C02 | O04 | C05 | 0.0° | 0.0° |
| C02 | C01 | C03 | C05 | 0.4° | 0.0° |
| C02 | C01 | C03 | C07 | 179.6° | 179.9° |
| C01 | C02 | C19 | H17 | 137.7° | 172.6° |
| C02 | C01 | O06 | H28 | 180.0° | 115.2° |
| O04 | C02 | C01 | O06 | 179.0° | 179.7° |
| O04 | C02 | C01 | C03 | 0.3° | 0.0° |
| C02 | O04 | C05 | C03 | 0.2° | 0.0° |
| C02 | O04 | C05 | O32 | 179.9° | 180.0° |
| O04 | C02 | C19 | H17 | 42.9° | 7.5° |
| O06 | C01 | C03 | C05 | 179.2° | 179.7° |
| O06 | C01 | C03 | C07 | 0.8° | 0.2° |
| C01 | C03 | C05 | O04 | 0.4° | 0.0° |
| C01 | C03 | C05 | C07 | 180.0° | 179.9° |
| C01 | C03 | C05 | O32 | 179.7° | 180.0° |
| C01 | C03 | C07 | C08 | 54.9° | 115.5° |
| C01 | C03 | C07 | C12 | 122.0° | 65.0° |
| C03 | C01 | O06 | H28 | 1.5° | 65.1° |
| C15 | C14 | C09 | C08 | 58.2° | 100.0° |
| C15 | C14 | C09 | H12 | 120.9° | 120.0° |
| C15 | C14 | C09 | H13 | 120.9° | 120.0° |
| C15 | C14 | C09 | C10 | 123.0° | 80.0° |
| C15 | C14 | H12 | H13 | 117.1° | 119.9° |
| O04 | C05 | C03 | O32 | 179.9° | 180.0° |
| O04 | C05 | C03 | C07 | 179.6° | 179.9° |
| C05 | C03 | C07 | C08 | 125.1° | 64.4° |
| C05 | C03 | C07 | C12 | 58.0° | 115.1° |
| C07 | C03 | C05 | O32 | 0.3° | 0.1° |
| C03 | C07 | C08 | C12 | 177.1° | 179.5° |
| C03 | C07 | C08 | C09 | 178.4° | 179.7° |
| C03 | C07 | C12 | C11 | 178.2° | 180.0° |
| C03 | C07 | C08 | H9 | 1.6° | 0.0° |
| C03 | C07 | C12 | H11 | 1.8° | 0.5° |
| C07 | C08 | C09 | H9 | 180.0° | 179.7° |
| C07 | C08 | C09 | C14 | 178.4° | 179.4° |
| C07 | C08 | C09 | C10 | 0.4° | 0.6° |
| C08 | C07 | C12 | C11 | 1.3° | 0.5° |
| C08 | C07 | C12 | H11 | 178.7° | 180.0° |
| C08 | C09 | C14 | C10 | 178.8° | 179.9° |
| C09 | C08 | C07 | C12 | 1.3° | 0.8° |
| C08 | C09 | C10 | C11 | 0.7° | 0.0° |
| C08 | C09 | C10 | O13 | 179.8° | 179.7° |
| C08 | C09 | C14 | H12 | 179.1° | 20.0° |
| C08 | C09 | C14 | H13 | 62.7° | 140.0° |
| C14 | C09 | C10 | C11 | 179.4° | 179.9° |
| C14 | C09 | C10 | O13 | 1.0° | 0.3° |
| C09 | C14 | C15 | H1 | 46.4° | 55.0° |
| C14 | C09 | C08 | H9 | 1.6° | 0.3° |
| C09 | C14 | H12 | H13 | 117.1° | 120.0° |
| C07 | C12 | C11 | H11 | 180.0° | 179.5° |
| C07 | C12 | C11 | C10 | 0.3° | 0.0° |
| C12 | C07 | C08 | H9 | 178.7° | 179.4° |
| C07 | C12 | C11 | H10 | 179.7° | 179.9° |
| C09 | C10 | C11 | C12 | 0.7° | 0.3° |
| C09 | C10 | C11 | O13 | 179.6° | 179.7° |
| C10 | C09 | C08 | H9 | 179.6° | 179.7° |
| C09 | C10 | C11 | H10 | 179.3° | 179.7° |
| C10 | C09 | C14 | H12 | 2.1° | 160.0° |
| C10 | C09 | C14 | H13 | 116.0° | 40.1° |
| C09 | C10 | O13 | H29 | 180.0° | 89.7° |
| C12 | C11 | C10 | H10 | 180.0° | 179.9° |
| C12 | C11 | C10 | O13 | 179.7° | 180.0° |
| C10 | C11 | C12 | H11 | 179.7° | 179.5° |
| C11 | C10 | O13 | H29 | 0.4° | 90.0° |
| O13 | C10 | C11 | H10 | 0.3° | 0.1° |
| H1 | C15 | C14 | H12 | 74.5° | 65.0° |
| H1 | C15 | C14 | H13 | 167.4° | 175.0° |
| H2 | C17 | H3 | H4 | 120.0° | 120.0° |
| H6 | C24 | C25 | H19 | 0.0° | 0.3° |
| H7 | C28 | C27 | H20 | 0.8° | 65.5° |
| H7 | C28 | C27 | H21 | 116.0° | 174.4° |
| H10 | C11 | C12 | H11 | 0.3° | 0.6° |
| H14 | C18 | H15 | H16 | 120.0° | 120.0° |
| H22 | C30 | H23 | H24 | 120.0° | 119.9° |
| H25 | C31 | H26 | H27 | 120.0° | 119.9° |
