E7F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O07 | C18 | sing | 1.43Å | 1.41Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | C17 | sing | 1.53Å | 1.54Å | |
| O08 | C19 | sing | 1.43Å | 1.40Å | |
| O09 | C17 | sing | 1.43Å | 1.41Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C17 | C21 | sing | 1.53Å | 1.53Å | |
| O02 | C01 | sing | 1.36Å | 1.40Å | |
| C20 | O06 | sing | 1.43Å | 1.41Å | |
| C20 | C02 | sing | 1.51Å | 1.55Å | |
| C21 | O06 | sing | 1.43Å | 1.41Å | |
| C21 | C16 | sing | 1.53Å | 1.53Å | |
| O10 | C16 | sing | 1.43Å | 1.40Å | |
| C01 | C02 | doub | 1.39Å | 1.38Å | Aromatic |
| C01 | C06 | sing | 1.39Å | 1.39Å | Aromatic |
| C02 | C03 | sing | 1.38Å | 1.39Å | Aromatic |
| C06 | C05 | doub | 1.38Å | 1.38Å | Aromatic |
| C03 | O03 | sing | 1.36Å | 1.40Å | |
| C03 | C04 | doub | 1.41Å | 1.40Å | Aromatic |
| C05 | C04 | sing | 1.41Å | 1.40Å | Aromatic |
| C05 | O01 | sing | 1.36Å | 1.40Å | |
| C04 | C07 | sing | 1.46Å | 1.54Å | |
| C07 | O04 | doub | 1.21Å | 1.19Å | |
| C07 | C08 | sing | 1.51Å | 1.53Å | |
| C08 | C09 | sing | 1.53Å | 1.53Å | |
| C09 | C10 | sing | 1.51Å | 1.53Å | |
| C15 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.38Å | Aromatic |
| C13 | O05 | sing | 1.36Å | 1.41Å | |
| C06 | H1 | sing | 1.08Å | 1.08Å | |
| C08 | H2 | sing | 1.09Å | 1.10Å | |
| C08 | H3 | sing | 1.09Å | 1.10Å | |
| C09 | H4 | sing | 1.09Å | 1.10Å | |
| C09 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| C15 | H9 | sing | 1.08Å | 1.08Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| O01 | H17 | sing | 0.97Å | 0.95Å | |
| O02 | H18 | sing | 0.97Å | 0.95Å | |
| O03 | H19 | sing | 0.97Å | 0.95Å | |
| O05 | H20 | sing | 0.97Å | 0.95Å | |
| O07 | H21 | sing | 0.97Å | 0.95Å | |
| O08 | H22 | sing | 0.97Å | 0.95Å | |
| O09 | H23 | sing | 0.97Å | 0.95Å | |
| O10 | H24 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O07 | C18 | C19 | 110.2° | 109.5° |
| O07 | C18 | C17 | 111.5° | 109.5° |
| O07 | C18 | H13 | 109.5° | 109.6° |
| C18 | O07 | H21 | 109.5° | 114.0° |
| C19 | C18 | C17 | 110.0° | 109.0° |
| C18 | C19 | O08 | 109.5° | 109.5° |
| C18 | C19 | C20 | 107.7° | 109.2° |
| C19 | C18 | H13 | 107.8° | 109.6° |
| C18 | C19 | H14 | 108.9° | 109.5° |
| C18 | C17 | O09 | 111.5° | 109.6° |
| C18 | C17 | C21 | 107.9° | 109.2° |
| C18 | C17 | H12 | 108.6° | 109.5° |
| C17 | C18 | H13 | 107.8° | 109.5° |
| O08 | C19 | C20 | 110.9° | 109.6° |
| O08 | C19 | H14 | 110.9° | 109.6° |
| C19 | O08 | H22 | 109.5° | 114.0° |
| O09 | C17 | C21 | 109.9° | 109.5° |
| O09 | C17 | H12 | 110.3° | 109.5° |
| C17 | O09 | H23 | 109.5° | 114.1° |
| C19 | C20 | O06 | 107.9° | 109.4° |
| C19 | C20 | C02 | 119.9° | 109.5° |
| C20 | C19 | H14 | 108.9° | 109.5° |
| C19 | C20 | H15 | 107.0° | 109.4° |
| C17 | C21 | O06 | 108.3° | 109.4° |
| C17 | C21 | C16 | 111.3° | 109.5° |
| C21 | C17 | H12 | 108.6° | 109.6° |
| C17 | C21 | H16 | 108.9° | 109.5° |
| O02 | C01 | C02 | 119.5° | 119.7° |
| O02 | C01 | C06 | 119.7° | 119.7° |
| C01 | O02 | H18 | 109.5° | 113.9° |
| O06 | C20 | C02 | 106.3° | 109.5° |
| C20 | O06 | C21 | 113.1° | 114.1° |
| O06 | C20 | H15 | 108.5° | 109.4° |
| C20 | C02 | C01 | 117.6° | 119.9° |
| C20 | C02 | C03 | 122.8° | 119.9° |
| C02 | C20 | H15 | 106.8° | 109.5° |
| O06 | C21 | C16 | 108.6° | 109.4° |
| O06 | C21 | H16 | 110.7° | 109.5° |
| C21 | C16 | O10 | 110.4° | 109.5° |
| C21 | C16 | H10 | 109.2° | 109.4° |
| C21 | C16 | H11 | 109.3° | 109.5° |
| C16 | C21 | H16 | 109.0° | 109.5° |
| O10 | C16 | H10 | 109.3° | 109.5° |
| O10 | C16 | H11 | 109.2° | 109.5° |
| C16 | O10 | H24 | 109.5° | 114.0° |
| C02 | C01 | C06 | 120.8° | 120.5° |
| C01 | C02 | C03 | 119.4° | 120.2° |
| C01 | C06 | C05 | 119.9° | 120.2° |
| C01 | C06 | H1 | 120.0° | 119.9° |
| C02 | C03 | O03 | 117.5° | 120.1° |
| C02 | C03 | C04 | 120.3° | 119.8° |
| C06 | C05 | C04 | 120.3° | 119.8° |
| C06 | C05 | O01 | 119.3° | 120.1° |
| C05 | C06 | H1 | 120.0° | 119.9° |
| O03 | C03 | C04 | 122.2° | 120.1° |
| C03 | O03 | H19 | 109.5° | 114.0° |
| C03 | C04 | C05 | 119.3° | 119.5° |
| C03 | C04 | C07 | 123.8° | 120.2° |
| C04 | C05 | O01 | 120.4° | 120.1° |
| C05 | C04 | C07 | 116.9° | 120.2° |
| C05 | O01 | H17 | 109.5° | 114.0° |
| C04 | C07 | O04 | 119.8° | 119.9° |
| C04 | C07 | C08 | 121.4° | 120.0° |
| O04 | C07 | C08 | 118.6° | 120.0° |
| C07 | C08 | C09 | 112.0° | 109.5° |
| C07 | C08 | H2 | 108.8° | 109.4° |
| C07 | C08 | H3 | 108.8° | 109.5° |
| C08 | C09 | C10 | 113.9° | 109.5° |
| C09 | C08 | H2 | 108.8° | 109.4° |
| C09 | C08 | H3 | 108.8° | 109.5° |
| C08 | C09 | H4 | 108.4° | 109.5° |
| C08 | C09 | H5 | 108.3° | 109.5° |
| C09 | C10 | C15 | 122.4° | 119.9° |
| C09 | C10 | C11 | 118.4° | 119.9° |
| C10 | C09 | H4 | 108.3° | 109.5° |
| C10 | C09 | H5 | 108.4° | 109.5° |
| C10 | C15 | C14 | 120.2° | 120.0° |
| C15 | C10 | C11 | 119.2° | 120.1° |
| C10 | C15 | H9 | 119.9° | 120.0° |
| C15 | C14 | C13 | 120.1° | 120.0° |
| C15 | C14 | H8 | 119.9° | 120.0° |
| C14 | C15 | H9 | 119.9° | 120.0° |
| C10 | C11 | C12 | 120.5° | 120.0° |
| C10 | C11 | H6 | 119.7° | 119.9° |
| C14 | C13 | C12 | 119.8° | 119.9° |
| C14 | C13 | O05 | 120.8° | 120.1° |
| C13 | C14 | H8 | 120.0° | 120.0° |
| C11 | C12 | C13 | 120.1° | 120.0° |
| C12 | C11 | H6 | 119.8° | 120.0° |
| C11 | C12 | H7 | 119.9° | 120.0° |
| C12 | C13 | O05 | 119.4° | 120.0° |
| C13 | C12 | H7 | 119.9° | 120.0° |
| C13 | O05 | H20 | 109.5° | 114.0° |
| H2 | C08 | H3 | 109.5° | 109.5° |
| H4 | C09 | H5 | 109.5° | 109.5° |
| H10 | C16 | H11 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O07 | C18 | C19 | C17 | 123.3° | 119.8° |
| O07 | C18 | C19 | H13 | 119.4° | 120.3° |
| O07 | C18 | C17 | H13 | 120.2° | 120.3° |
| O07 | C18 | C19 | O08 | 59.7° | 63.2° |
| O07 | C18 | C17 | O09 | 60.9° | 63.2° |
| O07 | C18 | C19 | C20 | 179.7° | 176.8° |
| O07 | C18 | C17 | C21 | 178.4° | 176.9° |
| O07 | C18 | C17 | H12 | 60.8° | 56.9° |
| O07 | C18 | C19 | H14 | 61.7° | 56.9° |
| C19 | C18 | C17 | H13 | 117.3° | 119.9° |
| C18 | C19 | O08 | C20 | 118.7° | 119.7° |
| C18 | C19 | O08 | H14 | 120.2° | 120.1° |
| C19 | C18 | C17 | O09 | 176.6° | 176.9° |
| C18 | C19 | C20 | H14 | 118.0° | 119.9° |
| C19 | C18 | C17 | C21 | 55.9° | 57.0° |
| C18 | C19 | C20 | O06 | 59.6° | 57.6° |
| C18 | C19 | C20 | C02 | 178.7° | 177.6° |
| C19 | C18 | C17 | H12 | 61.7° | 63.0° |
| C18 | C19 | C20 | H15 | 57.0° | 62.4° |
| C19 | C18 | O07 | H21 | 180.0° | 179.9° |
| C18 | C19 | O08 | H22 | 180.0° | 60.0° |
| C17 | C18 | C19 | O08 | 177.0° | 176.9° |
| C18 | C17 | O09 | C21 | 119.5° | 119.7° |
| C18 | C17 | O09 | H12 | 120.8° | 120.1° |
| C17 | C18 | C19 | C20 | 56.4° | 57.0° |
| C18 | C17 | C21 | H12 | 117.5° | 119.9° |
| C18 | C17 | C21 | O06 | 58.6° | 57.7° |
| C18 | C17 | C21 | C16 | 177.9° | 177.6° |
| C17 | C18 | C19 | H14 | 61.6° | 62.9° |
| C18 | C17 | C21 | H16 | 61.9° | 62.4° |
| C17 | C18 | O07 | H21 | 57.6° | 60.5° |
| C18 | C17 | O09 | H23 | 180.0° | 60.3° |
| O08 | C19 | C20 | H14 | 122.3° | 120.2° |
| O08 | C19 | C20 | O06 | 179.3° | 177.5° |
| O08 | C19 | C20 | C02 | 58.9° | 62.5° |
| O08 | C19 | C18 | H13 | 59.7° | 57.1° |
| O08 | C19 | C20 | H15 | 62.8° | 57.6° |
| O09 | C17 | C21 | H12 | 120.8° | 120.1° |
| O09 | C17 | C21 | O06 | 179.7° | 177.6° |
| O09 | C17 | C21 | C16 | 60.4° | 62.4° |
| O09 | C17 | C18 | H13 | 59.2° | 57.1° |
| O09 | C17 | C21 | H16 | 59.8° | 57.6° |
| C19 | C20 | O06 | C02 | 129.8° | 120.0° |
| C19 | C20 | O06 | H15 | 115.6° | 119.9° |
| C19 | C20 | C02 | H15 | 121.8° | 120.0° |
| C19 | C20 | O06 | C21 | 67.3° | 61.1° |
| C19 | C20 | C02 | C01 | 131.3° | 75.0° |
| C19 | C20 | C02 | C03 | 53.2° | 105.0° |
| C20 | C19 | C18 | H13 | 60.9° | 62.9° |
| C20 | C19 | O08 | H22 | 61.4° | 179.7° |
| C17 | C21 | O06 | C20 | 66.8° | 61.2° |
| C17 | C21 | O06 | C16 | 121.1° | 120.0° |
| C17 | C21 | O06 | H16 | 119.4° | 120.0° |
| C17 | C21 | C16 | H16 | 120.2° | 120.0° |
| C17 | C21 | C16 | O10 | 86.1° | 175.0° |
| C17 | C21 | C16 | H10 | 34.1° | 55.0° |
| C17 | C21 | C16 | H11 | 153.7° | 64.9° |
| C21 | C17 | C18 | H13 | 61.5° | 62.9° |
| C21 | C17 | O09 | H23 | 60.5° | 180.0° |
| O02 | C01 | C02 | C20 | 3.0° | 0.3° |
| O02 | C01 | C02 | C06 | 179.0° | 179.7° |
| O02 | C01 | C02 | C03 | 178.6° | 179.7° |
| O02 | C01 | C06 | C05 | 179.9° | 179.7° |
| O02 | C01 | C06 | H1 | 0.1° | 0.4° |
| O06 | C20 | C02 | H15 | 115.7° | 120.0° |
| C20 | O06 | C21 | C16 | 172.1° | 178.8° |
| O06 | C20 | C02 | C01 | 106.2° | 45.0° |
| O06 | C20 | C02 | C03 | 69.3° | 135.1° |
| O06 | C20 | C19 | H14 | 58.4° | 62.3° |
| C20 | O06 | C21 | H16 | 52.5° | 58.8° |
| C02 | C20 | O06 | C21 | 162.9° | 178.9° |
| C20 | C02 | C01 | C03 | 175.7° | 180.0° |
| C20 | C02 | C01 | C06 | 178.0° | 180.0° |
| C20 | C02 | C03 | O03 | 3.7° | 0.1° |
| C20 | C02 | C03 | C04 | 178.3° | 180.0° |
| C02 | C20 | C19 | H14 | 63.3° | 57.7° |
| O06 | C21 | C16 | H16 | 120.7° | 120.0° |
| O06 | C21 | C16 | O10 | 154.7° | 65.0° |
| O06 | C21 | C16 | H10 | 85.1° | 174.9° |
| O06 | C21 | C16 | H11 | 34.6° | 55.0° |
| O06 | C21 | C17 | H12 | 59.0° | 62.2° |
| C21 | O06 | C20 | H15 | 48.3° | 58.8° |
| C21 | C16 | O10 | H10 | 120.1° | 120.0° |
| C21 | C16 | O10 | H11 | 120.2° | 120.0° |
| C21 | C16 | H10 | H11 | 119.6° | 119.9° |
| C16 | C21 | C17 | H12 | 60.4° | 57.7° |
| C21 | C16 | O10 | H24 | 180.0° | 180.0° |
| O10 | C16 | H10 | H11 | 119.6° | 120.0° |
| O10 | C16 | C21 | H16 | 34.1° | 55.0° |
| C02 | C01 | C06 | C05 | 1.1° | 0.0° |
| C01 | C02 | C03 | O03 | 179.1° | 179.9° |
| C01 | C02 | C03 | C04 | 2.8° | 0.0° |
| C02 | C01 | C06 | H1 | 178.9° | 180.0° |
| C01 | C02 | C20 | H15 | 9.5° | 165.0° |
| C02 | C01 | O02 | H18 | 180.0° | 90.0° |
| C06 | C01 | C02 | C03 | 2.4° | 0.0° |
| C01 | C06 | C05 | H1 | 180.0° | 180.0° |
| C01 | C06 | C05 | C04 | 0.2° | 0.0° |
| C01 | C06 | C05 | O01 | 180.0° | 180.0° |
| C06 | C01 | O02 | H18 | 1.0° | 90.3° |
| C02 | C03 | O03 | C04 | 178.0° | 179.9° |
| C02 | C03 | C04 | C05 | 2.0° | 0.0° |
| C02 | C03 | C04 | C07 | 179.2° | 180.0° |
| C03 | C02 | C20 | H15 | 175.0° | 15.0° |
| C02 | C03 | O03 | H19 | 180.0° | 90.0° |
| C06 | C05 | C04 | C03 | 0.7° | 0.1° |
| C06 | C05 | C04 | O01 | 179.7° | 179.9° |
| C06 | C05 | C04 | C07 | 178.1° | 180.0° |
| C06 | C05 | O01 | H17 | 174.4° | 90.1° |
| O03 | C03 | C04 | C05 | 180.0° | 180.0° |
| O03 | C03 | C04 | C07 | 2.9° | 0.1° |
| C03 | C04 | C05 | C07 | 177.4° | 180.0° |
| C03 | C04 | C05 | O01 | 179.5° | 180.0° |
| C03 | C04 | C07 | O04 | 164.8° | 0.1° |
| C03 | C04 | C07 | C08 | 20.2° | 180.0° |
| C04 | C03 | O03 | H19 | 2.0° | 90.0° |
| C05 | C04 | C07 | O04 | 18.0° | 180.0° |
| C05 | C04 | C07 | C08 | 157.0° | 0.0° |
| C04 | C05 | C06 | H1 | 179.7° | 179.9° |
| C04 | C05 | O01 | H17 | 5.3° | 90.0° |
| O01 | C05 | C04 | C07 | 2.2° | 0.0° |
| O01 | C05 | C06 | H1 | 0.0° | 0.0° |
| C04 | C07 | O04 | C08 | 175.1° | 179.9° |
| C04 | C07 | C08 | C09 | 145.3° | 180.0° |
| C04 | C07 | C08 | H2 | 24.9° | 60.1° |
| C04 | C07 | C08 | H3 | 94.4° | 59.9° |
| O04 | C07 | C08 | C09 | 29.8° | 0.1° |
| O04 | C07 | C08 | H2 | 150.2° | 120.0° |
| O04 | C07 | C08 | H3 | 90.6° | 120.0° |
| C07 | C08 | C09 | H2 | 120.4° | 119.9° |
| C07 | C08 | C09 | H3 | 120.4° | 120.0° |
| C07 | C08 | C09 | C10 | 81.1° | 180.0° |
| C07 | C08 | H2 | H3 | 118.8° | 120.0° |
| C07 | C08 | C09 | H4 | 158.3° | 60.0° |
| C07 | C08 | C09 | H5 | 39.6° | 59.9° |
| C08 | C09 | C10 | H4 | 120.7° | 120.0° |
| C08 | C09 | C10 | H5 | 120.6° | 120.0° |
| C08 | C09 | C10 | C15 | 3.4° | 90.3° |
| C08 | C09 | C10 | C11 | 176.4° | 90.0° |
| C09 | C08 | H2 | H3 | 118.8° | 120.0° |
| C08 | C09 | H4 | H5 | 118.0° | 120.0° |
| C09 | C10 | C15 | C11 | 179.8° | 179.7° |
| C09 | C10 | C15 | C14 | 180.0° | 179.7° |
| C09 | C10 | C11 | C12 | 179.9° | 180.0° |
| C10 | C09 | C08 | H2 | 39.3° | 60.0° |
| C10 | C09 | C08 | H3 | 158.5° | 60.0° |
| C10 | C09 | H4 | H5 | 118.0° | 120.1° |
| C09 | C10 | C11 | H6 | 0.1° | 0.1° |
| C09 | C10 | C15 | H9 | 0.1° | 0.0° |
| C10 | C15 | C14 | H9 | 180.0° | 179.7° |
| C10 | C15 | C14 | C13 | 0.1° | 0.6° |
| C15 | C10 | C11 | C12 | 0.1° | 0.3° |
| C15 | C10 | C09 | H4 | 124.0° | 149.7° |
| C15 | C10 | C09 | H5 | 117.3° | 29.7° |
| C15 | C10 | C11 | H6 | 179.9° | 179.7° |
| C10 | C15 | C14 | H8 | 179.9° | 179.7° |
| C14 | C15 | C10 | C11 | 0.3° | 0.6° |
| C15 | C14 | C13 | H8 | 180.0° | 179.7° |
| C15 | C14 | C13 | C12 | 0.3° | 0.2° |
| C15 | C14 | C13 | O05 | 179.9° | 179.7° |
| C10 | C11 | C12 | H6 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.3° | 0.0° |
| C11 | C10 | C09 | H4 | 55.8° | 30.0° |
| C11 | C10 | C09 | H5 | 62.9° | 150.0° |
| C10 | C11 | C12 | H7 | 179.7° | 180.0° |
| C11 | C10 | C15 | H9 | 179.7° | 179.7° |
| C14 | C13 | C12 | C11 | 0.5° | 0.0° |
| C14 | C13 | C12 | O05 | 179.8° | 180.0° |
| C14 | C13 | C12 | H7 | 179.5° | 180.0° |
| C13 | C14 | C15 | H9 | 179.9° | 179.7° |
| C14 | C13 | O05 | H20 | 180.0° | 89.9° |
| C11 | C12 | C13 | H7 | 180.0° | 179.9° |
| C11 | C12 | C13 | O05 | 179.7° | 180.0° |
| C13 | C12 | C11 | H6 | 179.7° | 180.0° |
| C12 | C13 | C14 | H8 | 179.7° | 180.0° |
| C12 | C13 | O05 | H20 | 0.2° | 90.0° |
| O05 | C13 | C12 | H7 | 0.3° | 0.1° |
| O05 | C13 | C14 | H8 | 0.1° | 0.0° |
| H2 | C08 | C09 | H4 | 81.3° | 180.0° |
| H2 | C08 | C09 | H5 | 159.9° | 60.0° |
| H3 | C08 | C09 | H4 | 37.9° | 60.0° |
| H3 | C08 | C09 | H5 | 80.8° | 180.0° |
| H6 | C11 | C12 | H7 | 0.3° | 0.0° |
| H8 | C14 | C15 | H9 | 0.1° | 0.0° |
| H10 | C16 | C21 | H16 | 154.2° | 65.0° |
| H10 | C16 | O10 | H24 | 59.9° | 60.0° |
| H11 | C16 | C21 | H16 | 86.1° | 175.0° |
| H11 | C16 | O10 | H24 | 59.8° | 60.0° |
| H12 | C17 | C18 | H13 | 179.0° | 177.2° |
| H12 | C17 | C21 | H16 | 179.4° | 177.7° |
| H12 | C17 | O09 | H23 | 59.3° | 59.8° |
| H13 | C18 | C19 | H14 | 178.9° | 177.2° |
| H13 | C18 | O07 | H21 | 61.6° | 59.7° |
| H14 | C19 | C20 | H15 | 175.0° | 177.8° |
| H14 | C19 | O08 | H22 | 59.8° | 60.2° |
