TQX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C06 | C01 | doub | 1.36Å | 1.40Å | Aromatic |
| C01 | C02 | sing | 1.41Å | 1.40Å | Aromatic |
| C01 | H01 | sing | 1.08Å | 1.08Å | |
| C02 | C03 | doub | 1.42Å | 1.41Å | Aromatic |
| C02 | N07 | sing | 1.34Å | 1.34Å | Aromatic |
| C04 | C03 | sing | 1.40Å | 1.42Å | Aromatic |
| C03 | C10 | sing | 1.42Å | 1.43Å | Aromatic |
| C05 | C04 | doub | 1.36Å | 1.40Å | Aromatic |
| C04 | H04 | sing | 1.08Å | 1.08Å | |
| C06 | C05 | sing | 1.39Å | 1.40Å | Aromatic |
| C05 | H05 | sing | 1.08Å | 1.08Å | |
| C06 | H06 | sing | 1.08Å | 1.08Å | |
| N07 | C08 | doub | 1.31Å | 1.36Å | Aromatic |
| C08 | C11 | sing | 1.51Å | 1.51Å | |
| C08 | C09 | sing | 1.39Å | 1.41Å | Aromatic |
| C10 | C09 | doub | 1.39Å | 1.42Å | Aromatic |
| C09 | C13 | sing | 1.51Å | 1.53Å | |
| C10 | C12 | sing | 1.48Å | 1.49Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C11 | H11B | sing | 1.09Å | 1.10Å | |
| C15 | C12 | doub | 1.40Å | 1.41Å | Aromatic |
| C12 | C19 | sing | 1.39Å | 1.42Å | Aromatic |
| O14 | C13 | sing | 1.43Å | 1.43Å | |
| C13 | C30 | sing | 1.51Å | 1.53Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C25 | O14 | sing | 1.43Å | 1.43Å | |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| F29 | C16 | sing | 1.35Å | 1.35Å | |
| C16 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | O20 | sing | 1.36Å | 1.37Å | |
| C17 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.42Å | Aromatic |
| C18 | C23 | sing | 1.51Å | 1.51Å | |
| C19 | C24 | sing | 1.51Å | 1.51Å | |
| O20 | C21 | sing | 1.43Å | 1.44Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C24 | H24B | sing | 1.09Å | 1.10Å | |
| C27 | C25 | sing | 1.53Å | 1.53Å | |
| C26 | C25 | sing | 1.53Å | 1.54Å | |
| C25 | C28 | sing | 1.53Å | 1.54Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C26 | H26B | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C27 | H27B | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C28 | H28B | sing | 1.09Å | 1.10Å | |
| C30 | O32 | doub | 1.21Å | 1.36Å | |
| C30 | O31 | sing | 1.34Å | 1.23Å | |
| O31 | HO31 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C06 | C01 | C02 | 121.3° | 119.7° |
| C06 | C01 | H01 | 119.3° | 120.1° |
| C01 | C06 | C05 | 119.8° | 121.0° |
| C01 | C06 | H06 | 120.1° | 119.5° |
| C02 | C01 | H01 | 119.3° | 120.1° |
| C01 | C02 | C03 | 119.7° | 119.0° |
| C01 | C02 | N07 | 118.1° | 121.0° |
| C03 | C02 | N07 | 122.2° | 120.0° |
| C02 | C03 | C04 | 118.2° | 119.7° |
| C02 | C03 | C10 | 117.5° | 118.9° |
| C02 | N07 | C08 | 120.5° | 121.8° |
| C04 | C03 | C10 | 124.4° | 121.4° |
| C03 | C04 | C05 | 121.6° | 119.7° |
| C03 | C04 | H04 | 119.2° | 120.2° |
| C03 | C10 | C09 | 120.1° | 117.8° |
| C03 | C10 | C12 | 121.4° | 121.1° |
| C05 | C04 | H04 | 119.2° | 120.2° |
| C04 | C05 | C06 | 119.3° | 120.8° |
| C04 | C05 | H05 | 120.3° | 119.6° |
| C06 | C05 | H05 | 120.3° | 119.6° |
| C05 | C06 | H06 | 120.1° | 119.5° |
| N07 | C08 | C11 | 113.5° | 119.1° |
| N07 | C08 | C09 | 122.2° | 121.8° |
| C11 | C08 | C09 | 124.3° | 119.1° |
| C08 | C11 | H11 | 109.5° | 109.5° |
| C08 | C11 | H11A | 109.5° | 109.5° |
| C08 | C11 | H11B | 109.5° | 109.4° |
| C08 | C09 | C10 | 117.5° | 119.7° |
| C08 | C09 | C13 | 123.4° | 120.2° |
| C10 | C09 | C13 | 119.1° | 120.2° |
| C09 | C10 | C12 | 118.4° | 121.1° |
| C09 | C13 | O14 | 113.4° | 109.4° |
| C09 | C13 | C30 | 107.1° | 109.5° |
| C09 | C13 | H13 | 109.3° | 109.5° |
| C10 | C12 | C15 | 119.1° | 120.1° |
| C10 | C12 | C19 | 121.9° | 120.2° |
| H11 | C11 | H11A | 109.4° | 109.5° |
| H11 | C11 | H11B | 109.5° | 109.5° |
| H11A | C11 | H11B | 109.5° | 109.5° |
| C15 | C12 | C19 | 119.0° | 119.7° |
| C12 | C15 | C16 | 120.3° | 119.8° |
| C12 | C15 | H15 | 119.8° | 120.2° |
| C12 | C19 | C18 | 119.7° | 120.3° |
| C12 | C19 | C24 | 120.1° | 119.9° |
| O14 | C13 | C30 | 106.7° | 109.5° |
| O14 | C13 | H13 | 110.7° | 109.5° |
| C13 | O14 | C25 | 121.7° | 114.0° |
| C30 | C13 | H13 | 109.3° | 109.5° |
| C13 | C30 | O32 | 112.2° | 120.0° |
| C13 | C30 | O31 | 125.9° | 120.0° |
| O14 | C25 | C27 | 111.5° | 109.5° |
| O14 | C25 | C26 | 104.3° | 109.5° |
| O14 | C25 | C28 | 112.7° | 109.5° |
| C16 | C15 | H15 | 119.9° | 120.0° |
| C15 | C16 | F29 | 118.7° | 119.8° |
| C15 | C16 | C17 | 121.3° | 120.3° |
| F29 | C16 | C17 | 120.1° | 119.8° |
| C16 | C17 | O20 | 115.2° | 118.3° |
| C16 | C17 | C18 | 120.2° | 119.9° |
| O20 | C17 | C18 | 124.6° | 121.7° |
| C17 | O20 | C21 | 120.0° | 117.9° |
| C17 | C18 | C19 | 119.5° | 119.9° |
| C17 | C18 | C23 | 119.3° | 121.4° |
| C19 | C18 | C23 | 121.1° | 118.6° |
| C18 | C19 | C24 | 120.1° | 119.8° |
| C18 | C23 | C22 | 113.9° | 109.7° |
| C18 | C23 | H23 | 108.3° | 109.4° |
| C18 | C23 | H23A | 108.3° | 109.4° |
| C19 | C24 | H24 | 109.5° | 109.5° |
| C19 | C24 | H24A | 109.5° | 109.5° |
| C19 | C24 | H24B | 109.5° | 109.5° |
| O20 | C21 | C22 | 117.4° | 108.4° |
| O20 | C21 | H21 | 107.4° | 109.7° |
| O20 | C21 | H21A | 107.5° | 109.7° |
| C22 | C21 | H21 | 107.5° | 109.7° |
| C22 | C21 | H21A | 107.4° | 109.7° |
| C21 | C22 | C23 | 114.4° | 108.3° |
| C21 | C22 | H22 | 108.2° | 109.7° |
| C21 | C22 | H22A | 108.2° | 109.7° |
| H21 | C21 | H21A | 109.4° | 109.7° |
| C23 | C22 | H22 | 108.2° | 109.7° |
| C23 | C22 | H22A | 108.3° | 109.8° |
| C22 | C23 | H23 | 108.4° | 109.4° |
| C22 | C23 | H23A | 108.3° | 109.4° |
| H22 | C22 | H22A | 109.5° | 109.7° |
| H23 | C23 | H23A | 109.5° | 109.4° |
| H24 | C24 | H24A | 109.5° | 109.5° |
| H24 | C24 | H24B | 109.4° | 109.4° |
| H24A | C24 | H24B | 109.5° | 109.5° |
| C27 | C25 | C26 | 109.1° | 109.4° |
| C27 | C25 | C28 | 110.9° | 109.5° |
| C25 | C27 | H27 | 109.5° | 109.4° |
| C25 | C27 | H27A | 109.4° | 109.5° |
| C25 | C27 | H27B | 109.5° | 109.4° |
| C26 | C25 | C28 | 108.0° | 109.4° |
| C25 | C26 | H26 | 109.5° | 109.5° |
| C25 | C26 | H26A | 109.5° | 109.5° |
| C25 | C26 | H26B | 109.5° | 109.5° |
| C25 | C28 | H28 | 109.5° | 109.5° |
| C25 | C28 | H28A | 109.5° | 109.5° |
| C25 | C28 | H28B | 109.4° | 109.4° |
| H26 | C26 | H26A | 109.5° | 109.4° |
| H26 | C26 | H26B | 109.5° | 109.4° |
| H26A | C26 | H26B | 109.5° | 109.5° |
| H27 | C27 | H27A | 109.5° | 109.5° |
| H27 | C27 | H27B | 109.5° | 109.5° |
| H27A | C27 | H27B | 109.5° | 109.5° |
| H28 | C28 | H28A | 109.5° | 109.5° |
| H28 | C28 | H28B | 109.5° | 109.4° |
| H28A | C28 | H28B | 109.5° | 109.5° |
| O32 | C30 | O31 | 121.9° | 120.0° |
| C30 | O31 | HO31 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C06 | C01 | C02 | H01 | 180.0° | 179.7° |
| C06 | C01 | C02 | C03 | 0.0° | 0.2° |
| C06 | C01 | C02 | N07 | 180.0° | 179.7° |
| C01 | C06 | C05 | C04 | 0.1° | 0.6° |
| C01 | C06 | C05 | H06 | 180.0° | 179.5° |
| C01 | C06 | C05 | H05 | 179.9° | 179.7° |
| C01 | C02 | C03 | N07 | 179.9° | 180.0° |
| C01 | C02 | C03 | C04 | 0.4° | 0.0° |
| C01 | C02 | C03 | C10 | 179.9° | 180.0° |
| C02 | C01 | C06 | C05 | 0.2° | 0.5° |
| C02 | C01 | C06 | H06 | 179.8° | 180.0° |
| C01 | C02 | N07 | C08 | 179.8° | 180.0° |
| H01 | C01 | C02 | C03 | 179.9° | 180.0° |
| H01 | C01 | C02 | N07 | 0.0° | 0.0° |
| H01 | C01 | C06 | C05 | 179.8° | 179.7° |
| H01 | C01 | C06 | H06 | 0.2° | 0.2° |
| C02 | C03 | C04 | C10 | 179.6° | 180.0° |
| C02 | C03 | C04 | C05 | 0.6° | 0.0° |
| C02 | C03 | C04 | H04 | 179.4° | 179.9° |
| C03 | C02 | N07 | C08 | 0.1° | 0.1° |
| C02 | C03 | C10 | C09 | 0.4° | 0.0° |
| C02 | C03 | C10 | C12 | 179.6° | 180.0° |
| N07 | C02 | C03 | C04 | 179.6° | 180.0° |
| N07 | C02 | C03 | C10 | 0.0° | 0.0° |
| C02 | N07 | C08 | C11 | 179.7° | 179.9° |
| C02 | N07 | C08 | C09 | 0.7° | 0.1° |
| C03 | C04 | C05 | H04 | 180.0° | 179.9° |
| C03 | C04 | C05 | C06 | 0.3° | 0.3° |
| C03 | C04 | C05 | H05 | 179.7° | 180.0° |
| C04 | C03 | C10 | C09 | 179.1° | 180.0° |
| C04 | C03 | C10 | C12 | 0.0° | 0.0° |
| C10 | C03 | C04 | C05 | 179.8° | 180.0° |
| C10 | C03 | C04 | H04 | 0.2° | 0.1° |
| C03 | C10 | C09 | C08 | 1.0° | 0.0° |
| C03 | C10 | C09 | C12 | 179.2° | 180.0° |
| C03 | C10 | C09 | C13 | 179.6° | 179.9° |
| C03 | C10 | C12 | C15 | 90.3° | 90.3° |
| C03 | C10 | C12 | C19 | 91.1° | 90.0° |
| C04 | C05 | C06 | H05 | 180.0° | 179.7° |
| C04 | C05 | C06 | H06 | 179.9° | 179.9° |
| H04 | C04 | C05 | C06 | 179.7° | 179.8° |
| H04 | C04 | C05 | H05 | 0.3° | 0.1° |
| H05 | C05 | C06 | H06 | 0.1° | 0.2° |
| N07 | C08 | C11 | C09 | 179.6° | 180.0° |
| N07 | C08 | C09 | C10 | 1.1° | 0.0° |
| N07 | C08 | C09 | C13 | 179.7° | 180.0° |
| N07 | C08 | C11 | H11 | 0.0° | 90.0° |
| N07 | C08 | C11 | H11A | 120.0° | 150.0° |
| N07 | C08 | C11 | H11B | 120.0° | 30.0° |
| C11 | C08 | C09 | C10 | 179.3° | 180.0° |
| C11 | C08 | C09 | C13 | 0.8° | 0.0° |
| C08 | C11 | H11 | H11A | 120.0° | 120.1° |
| C08 | C11 | H11 | H11B | 120.0° | 119.9° |
| C08 | C11 | H11A | H11B | 120.0° | 119.9° |
| C08 | C09 | C10 | C13 | 178.6° | 179.9° |
| C08 | C09 | C10 | C12 | 179.8° | 180.0° |
| C09 | C08 | C11 | H11 | 179.5° | 90.0° |
| C09 | C08 | C11 | H11A | 59.6° | 30.0° |
| C09 | C08 | C11 | H11B | 60.4° | 150.0° |
| C08 | C09 | C13 | O14 | 48.7° | 45.0° |
| C08 | C09 | C13 | C30 | 68.8° | 75.0° |
| C08 | C09 | C13 | H13 | 172.8° | 165.0° |
| C09 | C10 | C12 | C15 | 88.9° | 89.7° |
| C09 | C10 | C12 | C19 | 89.7° | 90.0° |
| C10 | C09 | C13 | O14 | 132.8° | 135.0° |
| C10 | C09 | C13 | C30 | 109.7° | 105.0° |
| C10 | C09 | C13 | H13 | 8.6° | 15.0° |
| C13 | C09 | C10 | C12 | 1.2° | 0.1° |
| C09 | C13 | O14 | C30 | 117.7° | 120.0° |
| C09 | C13 | O14 | H13 | 123.3° | 120.0° |
| C09 | C13 | C30 | H13 | 118.4° | 120.0° |
| C09 | C13 | O14 | C25 | 84.9° | 150.0° |
| C09 | C13 | C30 | O32 | 153.3° | 115.1° |
| C09 | C13 | C30 | O31 | 25.8° | 65.1° |
| C10 | C12 | C15 | C19 | 178.7° | 179.7° |
| C10 | C12 | C15 | C16 | 179.5° | 180.0° |
| C10 | C12 | C15 | H15 | 0.5° | 0.0° |
| C10 | C12 | C19 | C18 | 179.2° | 179.8° |
| C10 | C12 | C19 | C24 | 1.1° | 0.1° |
| H11 | C11 | H11A | H11B | 120.0° | 120.0° |
| C12 | C15 | C16 | H15 | 180.0° | 179.9° |
| C12 | C15 | C16 | F29 | 179.7° | 179.9° |
| C12 | C15 | C16 | C17 | 0.8° | 0.1° |
| C15 | C12 | C19 | C18 | 0.5° | 0.5° |
| C15 | C12 | C19 | C24 | 179.7° | 179.8° |
| C19 | C12 | C15 | C16 | 0.8° | 0.3° |
| C19 | C12 | C15 | H15 | 179.2° | 179.7° |
| C12 | C19 | C18 | C17 | 0.3° | 0.4° |
| C12 | C19 | C18 | C24 | 179.7° | 179.7° |
| C12 | C19 | C18 | C23 | 179.4° | 180.0° |
| C12 | C19 | C24 | H24 | 90.1° | 90.0° |
| C12 | C19 | C24 | H24A | 149.9° | 150.0° |
| C12 | C19 | C24 | H24B | 29.9° | 30.0° |
| O14 | C13 | C30 | H13 | 119.8° | 120.0° |
| C13 | O14 | C25 | C27 | 73.3° | 60.0° |
| C13 | O14 | C25 | C26 | 169.0° | 180.0° |
| C13 | O14 | C25 | C28 | 52.2° | 60.0° |
| O14 | C13 | C30 | O32 | 31.5° | 4.9° |
| O14 | C13 | C30 | O31 | 147.6° | 175.0° |
| C30 | C13 | O14 | C25 | 157.3° | 90.0° |
| C13 | C30 | O32 | O31 | 179.1° | 179.9° |
| C13 | C30 | O31 | HO31 | 179.0° | 179.9° |
| H13 | C13 | O14 | C25 | 38.4° | 30.0° |
| H13 | C13 | C30 | O32 | 88.3° | 124.9° |
| H13 | C13 | C30 | O31 | 92.6° | 55.0° |
| O14 | C25 | C27 | C26 | 114.7° | 120.0° |
| O14 | C25 | C27 | C28 | 126.4° | 120.1° |
| O14 | C25 | C26 | C28 | 120.1° | 120.0° |
| O14 | C25 | C26 | H26 | 180.0° | 60.0° |
| O14 | C25 | C26 | H26A | 60.0° | 180.0° |
| O14 | C25 | C26 | H26B | 60.0° | 60.0° |
| O14 | C25 | C27 | H27 | 180.0° | 60.0° |
| O14 | C25 | C27 | H27A | 60.0° | 180.0° |
| O14 | C25 | C27 | H27B | 60.0° | 59.9° |
| O14 | C25 | C28 | H28 | 180.0° | 60.0° |
| O14 | C25 | C28 | H28A | 60.0° | 180.0° |
| O14 | C25 | C28 | H28B | 60.0° | 60.0° |
| C15 | C16 | F29 | C17 | 179.5° | 180.0° |
| C15 | C16 | C17 | O20 | 179.8° | 179.7° |
| C15 | C16 | C17 | C18 | 0.5° | 0.1° |
| H15 | C15 | C16 | F29 | 0.2° | 0.0° |
| H15 | C15 | C16 | C17 | 179.2° | 180.0° |
| F29 | C16 | C17 | O20 | 0.3° | 0.2° |
| F29 | C16 | C17 | C18 | 180.0° | 180.0° |
| C16 | C17 | O20 | C18 | 179.7° | 179.8° |
| C16 | C17 | C18 | C19 | 0.3° | 0.1° |
| C16 | C17 | C18 | C23 | 179.4° | 179.7° |
| C16 | C17 | O20 | C21 | 179.3° | 162.9° |
| O20 | C17 | C18 | C19 | 179.9° | 179.9° |
| O20 | C17 | C18 | C23 | 0.2° | 0.5° |
| C17 | O20 | C21 | C22 | 17.2° | 49.3° |
| C17 | O20 | C21 | H21 | 138.3° | 169.0° |
| C17 | O20 | C21 | H21A | 104.0° | 70.5° |
| C17 | C18 | C19 | C23 | 179.7° | 179.6° |
| C17 | C18 | C19 | C24 | 180.0° | 179.9° |
| C18 | C17 | O20 | C21 | 1.1° | 17.3° |
| C17 | C18 | C23 | C22 | 18.9° | 17.8° |
| C17 | C18 | C23 | H23 | 101.7° | 102.3° |
| C17 | C18 | C23 | H23A | 139.6° | 137.8° |
| C19 | C18 | C23 | C22 | 161.4° | 162.6° |
| C19 | C18 | C23 | H23 | 77.9° | 77.4° |
| C19 | C18 | C23 | H23A | 40.8° | 42.5° |
| C18 | C19 | C24 | H24 | 90.2° | 89.8° |
| C18 | C19 | C24 | H24A | 29.9° | 30.2° |
| C18 | C19 | C24 | H24B | 149.9° | 150.3° |
| C23 | C18 | C19 | C24 | 0.3° | 0.2° |
| C18 | C23 | C22 | C21 | 35.2° | 48.2° |
| C18 | C23 | C22 | H23 | 120.6° | 120.1° |
| C18 | C23 | C22 | H23A | 120.6° | 120.1° |
| C18 | C23 | C22 | H22 | 85.5° | 71.4° |
| C18 | C23 | C22 | H22A | 156.0° | 167.9° |
| C18 | C23 | H23 | H23A | 118.0° | 119.9° |
| C19 | C24 | H24 | H24A | 120.0° | 120.1° |
| C19 | C24 | H24 | H24B | 120.0° | 120.0° |
| C19 | C24 | H24A | H24B | 120.0° | 120.0° |
| O20 | C21 | C22 | H21 | 121.2° | 119.7° |
| O20 | C21 | C22 | H21A | 121.2° | 119.7° |
| O20 | C21 | H21 | H21A | 116.4° | 120.5° |
| O20 | C21 | C22 | C23 | 35.3° | 64.8° |
| O20 | C21 | C22 | H22 | 85.4° | 54.9° |
| O20 | C21 | C22 | H22A | 156.0° | 175.4° |
| C22 | C21 | H21 | H21A | 116.4° | 120.6° |
| C21 | C22 | C23 | H22 | 120.7° | 119.6° |
| C21 | C22 | C23 | H22A | 120.7° | 119.7° |
| C21 | C22 | H22 | H22A | 117.7° | 120.6° |
| C21 | C22 | C23 | H23 | 85.4° | 71.9° |
| C21 | C22 | C23 | H23A | 155.9° | 168.3° |
| H21 | C21 | C22 | C23 | 156.4° | 175.5° |
| H21 | C21 | C22 | H22 | 35.7° | 64.8° |
| H21 | C21 | C22 | H22A | 82.8° | 55.7° |
| H21A | C21 | C22 | C23 | 85.9° | 54.9° |
| H21A | C21 | C22 | H22 | 153.4° | 174.6° |
| H21A | C21 | C22 | H22A | 34.8° | 64.8° |
| C23 | C22 | H22 | H22A | 117.8° | 120.7° |
| C22 | C23 | H23 | H23A | 118.0° | 119.9° |
| H22 | C22 | C23 | H23 | 153.9° | 168.5° |
| H22 | C22 | C23 | H23A | 35.2° | 48.6° |
| H22A | C22 | C23 | H23 | 35.3° | 47.8° |
| H22A | C22 | C23 | H23A | 83.4° | 72.0° |
| H24 | C24 | H24A | H24B | 120.0° | 119.9° |
| C27 | C25 | C26 | C28 | 120.6° | 119.9° |
| C27 | C25 | C26 | H26 | 60.7° | 60.0° |
| C27 | C25 | C26 | H26A | 179.3° | 60.0° |
| C27 | C25 | C26 | H26B | 59.3° | 180.0° |
| C25 | C27 | H27 | H27A | 120.0° | 120.0° |
| C25 | C27 | H27 | H27B | 120.0° | 119.9° |
| C25 | C27 | H27A | H27B | 120.0° | 120.0° |
| C27 | C25 | C28 | H28 | 54.2° | 180.0° |
| C27 | C25 | C28 | H28A | 65.8° | 59.9° |
| C27 | C25 | C28 | H28B | 174.2° | 60.1° |
| C25 | C26 | H26 | H26A | 120.0° | 120.1° |
| C25 | C26 | H26 | H26B | 120.0° | 120.0° |
| C25 | C26 | H26A | H26B | 120.0° | 120.1° |
| C26 | C25 | C27 | H27 | 65.3° | 180.0° |
| C26 | C25 | C27 | H27A | 54.7° | 60.0° |
| C26 | C25 | C27 | H27B | 174.7° | 60.1° |
| C26 | C25 | C28 | H28 | 65.3° | 60.0° |
| C26 | C25 | C28 | H28A | 174.7° | 60.0° |
| C26 | C25 | C28 | H28B | 54.7° | 180.0° |
| C28 | C25 | C26 | H26 | 59.9° | 180.0° |
| C28 | C25 | C26 | H26A | 60.0° | 60.0° |
| C28 | C25 | C26 | H26B | 179.9° | 60.1° |
| C28 | C25 | C27 | H27 | 53.5° | 60.1° |
| C28 | C25 | C27 | H27A | 173.6° | 59.9° |
| C28 | C25 | C27 | H27B | 66.5° | 180.0° |
| C25 | C28 | H28 | H28A | 120.0° | 120.1° |
| C25 | C28 | H28 | H28B | 120.0° | 119.9° |
| C25 | C28 | H28A | H28B | 120.0° | 120.0° |
| H26 | C26 | H26A | H26B | 120.0° | 119.9° |
| H27 | C27 | H27A | H27B | 120.0° | 120.0° |
| H28 | C28 | H28A | H28B | 120.0° | 120.0° |
| O32 | C30 | O31 | HO31 | 0.0° | 0.1° |
