C08
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.39Å | 1.43Å | |
| C01 | C22 | doub | 1.40Å | 1.35Å | |
| C02 | C03 | doub | 1.40Å | 1.35Å | Aromatic |
| C02 | N01 | sing | 1.38Å | 1.42Å | Aromatic |
| C03 | C04 | sing | 1.39Å | 1.45Å | Aromatic |
| C04 | C05 | doub | 1.36Å | 1.36Å | Aromatic |
| C05 | C06 | sing | 1.51Å | 1.51Å | |
| C05 | N01 | sing | 1.34Å | 1.46Å | Aromatic |
| C06 | C07 | sing | 1.53Å | 1.52Å | |
| C07 | C08 | sing | 1.53Å | 1.54Å | |
| C08 | C09 | sing | 1.53Å | 1.54Å | |
| C09 | C10 | sing | 1.53Å | 1.52Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.51Å | |
| N01 | B | sing | 1.51Å | 1.51Å | |
| B | F01 | sing | 1.37Å | 1.29Å | |
| B | N02 | sing | 1.52Å | 1.47Å | |
| B | F02 | sing | 1.37Å | 1.32Å | |
| N02 | C14 | doub | 1.31Å | 1.26Å | |
| N02 | C22 | sing | 1.35Å | 1.39Å | |
| C14 | C15 | sing | 1.51Å | 1.50Å | |
| C14 | C20 | sing | 1.40Å | 1.50Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C18 | C19 | sing | 1.51Å | 1.50Å | |
| C19 | O01 | sing | 1.34Å | 1.36Å | |
| C19 | O02 | doub | 1.21Å | 1.21Å | |
| C20 | C21 | doub | 1.36Å | 1.35Å | |
| C21 | C22 | sing | 1.42Å | 1.45Å | |
| C01 | H01 | sing | 1.08Å | 1.08Å | |
| C03 | H03 | sing | 1.08Å | 1.08Å | |
| C04 | H04 | sing | 1.08Å | 1.08Å | |
| C06 | H06 | sing | 1.09Å | 1.10Å | |
| C06 | H06A | sing | 1.09Å | 1.10Å | |
| C07 | H07 | sing | 1.09Å | 1.10Å | |
| C07 | H07A | sing | 1.09Å | 1.10Å | |
| C08 | H08 | sing | 1.09Å | 1.10Å | |
| C08 | H08A | sing | 1.09Å | 1.10Å | |
| C09 | H09 | sing | 1.09Å | 1.10Å | |
| C09 | H09A | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C13 | H13B | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| O01 | HO01 | sing | 0.97Å | 0.95Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C01 | C22 | 115.7° | 123.3° |
| C01 | C02 | C03 | 129.2° | 132.3° |
| C01 | C02 | N01 | 120.8° | 120.8° |
| C02 | C01 | H01 | 122.2° | 118.3° |
| C01 | C22 | N02 | 121.9° | 121.6° |
| C01 | C22 | C21 | 130.1° | 130.9° |
| C22 | C01 | H01 | 122.1° | 118.4° |
| C03 | C02 | N01 | 110.0° | 106.9° |
| C02 | C03 | C04 | 108.0° | 106.9° |
| C02 | C03 | H03 | 126.0° | 126.5° |
| C02 | N01 | C05 | 105.6° | 109.0° |
| C02 | N01 | B | 110.0° | 118.2° |
| C03 | C04 | C05 | 108.5° | 108.1° |
| C04 | C03 | H03 | 126.0° | 126.6° |
| C03 | C04 | H04 | 125.7° | 125.9° |
| C04 | C05 | C06 | 130.6° | 125.4° |
| C04 | C05 | N01 | 107.9° | 109.1° |
| C05 | C04 | H04 | 125.8° | 126.0° |
| C06 | C05 | N01 | 121.5° | 125.5° |
| C05 | C06 | C07 | 118.5° | 109.5° |
| C05 | C06 | H06 | 106.6° | 109.4° |
| C05 | C06 | H06A | 104.5° | 109.5° |
| C05 | N01 | B | 118.4° | 132.8° |
| C06 | C07 | C08 | 109.6° | 109.4° |
| C07 | C06 | H06 | 106.6° | 109.5° |
| C07 | C06 | H06A | 104.5° | 109.5° |
| C06 | C07 | H07 | 109.4° | 109.5° |
| C06 | C07 | H07A | 109.4° | 109.4° |
| C07 | C08 | C09 | 111.3° | 109.5° |
| C08 | C07 | H07 | 109.4° | 109.5° |
| C08 | C07 | H07A | 109.4° | 109.5° |
| C07 | C08 | H08 | 108.9° | 109.5° |
| C07 | C08 | H08A | 108.5° | 109.5° |
| C08 | C09 | C10 | 111.3° | 109.5° |
| C09 | C08 | H08 | 108.9° | 109.5° |
| C09 | C08 | H08A | 108.4° | 109.5° |
| C08 | C09 | H09 | 108.9° | 109.4° |
| C08 | C09 | H09A | 108.5° | 109.5° |
| C09 | C10 | C11 | 111.2° | 109.4° |
| C10 | C09 | H09 | 108.9° | 109.5° |
| C10 | C09 | H09A | 108.5° | 109.5° |
| C09 | C10 | H10 | 108.9° | 109.5° |
| C09 | C10 | H10A | 108.5° | 109.5° |
| C10 | C11 | C12 | 111.6° | 109.4° |
| C11 | C10 | H10 | 108.9° | 109.5° |
| C11 | C10 | H10A | 108.5° | 109.5° |
| C10 | C11 | H11 | 108.8° | 109.5° |
| C10 | C11 | H11A | 108.3° | 109.5° |
| C11 | C12 | C13 | 111.0° | 109.5° |
| C12 | C11 | H11 | 108.8° | 109.5° |
| C12 | C11 | H11A | 108.3° | 109.5° |
| C11 | C12 | H12 | 109.0° | 109.5° |
| C11 | C12 | H12A | 108.6° | 109.5° |
| C13 | C12 | H12 | 109.0° | 109.5° |
| C13 | C12 | H12A | 108.6° | 109.5° |
| C12 | C13 | H13 | 109.5° | 109.4° |
| C12 | C13 | H13A | 109.5° | 109.5° |
| C12 | C13 | H13B | 109.4° | 109.4° |
| N01 | B | F01 | 112.6° | 107.9° |
| N01 | B | N02 | 111.5° | 117.3° |
| N01 | B | F02 | 104.2° | 107.9° |
| F01 | B | N02 | 108.7° | 107.9° |
| F01 | B | F02 | 110.0° | 107.7° |
| N02 | B | F02 | 109.7° | 107.9° |
| B | N02 | C14 | 129.6° | 131.4° |
| B | N02 | C22 | 122.5° | 118.8° |
| C14 | N02 | C22 | 107.9° | 109.8° |
| N02 | C14 | C15 | 128.6° | 125.4° |
| N02 | C14 | C20 | 112.5° | 109.2° |
| N02 | C22 | C21 | 108.0° | 107.5° |
| C15 | C14 | C20 | 118.8° | 125.5° |
| C14 | C15 | C16 | 115.4° | 109.5° |
| C14 | C15 | H15 | 107.5° | 109.5° |
| C14 | C15 | H15A | 106.2° | 109.5° |
| C14 | C20 | C21 | 103.0° | 107.1° |
| C14 | C20 | H20 | 128.5° | 126.4° |
| C15 | C16 | C17 | 108.9° | 109.5° |
| C16 | C15 | H15 | 107.5° | 109.4° |
| C16 | C15 | H15A | 106.2° | 109.5° |
| C15 | C16 | H16 | 109.7° | 109.5° |
| C15 | C16 | H16A | 109.8° | 109.4° |
| C16 | C17 | C18 | 114.1° | 109.5° |
| C17 | C16 | H16 | 109.7° | 109.5° |
| C17 | C16 | H16A | 109.8° | 109.5° |
| C16 | C17 | H17 | 108.0° | 109.5° |
| C16 | C17 | H17A | 106.9° | 109.5° |
| C17 | C18 | C19 | 113.8° | 109.5° |
| C18 | C17 | H17 | 108.0° | 109.4° |
| C18 | C17 | H17A | 106.9° | 109.5° |
| C17 | C18 | H18 | 108.1° | 109.4° |
| C17 | C18 | H18A | 107.1° | 109.5° |
| C18 | C19 | O01 | 111.8° | 120.0° |
| C18 | C19 | O02 | 127.2° | 120.0° |
| C19 | C18 | H18 | 108.1° | 109.5° |
| C19 | C18 | H18A | 107.1° | 109.5° |
| O01 | C19 | O02 | 121.0° | 120.0° |
| C19 | O01 | HO01 | 109.5° | 117.0° |
| C20 | C21 | C22 | 108.5° | 106.5° |
| C21 | C20 | H20 | 128.5° | 126.5° |
| C20 | C21 | H21 | 125.8° | 126.7° |
| C22 | C21 | H21 | 125.8° | 126.8° |
| H06 | C06 | H06A | 116.8° | 109.5° |
| H07 | C07 | H07A | 109.6° | 109.5° |
| H08 | C08 | H08A | 110.9° | 109.5° |
| H09 | C09 | H09A | 110.9° | 109.5° |
| H10 | C10 | H10A | 110.8° | 109.4° |
| H11 | C11 | H11A | 111.1° | 109.4° |
| H12 | C12 | H12A | 110.6° | 109.4° |
| H13 | C13 | H13A | 109.5° | 109.5° |
| H13 | C13 | H13B | 109.5° | 109.5° |
| H13A | C13 | H13B | 109.5° | 109.5° |
| H15 | C15 | H15A | 114.2° | 109.5° |
| H16 | C16 | H16A | 109.0° | 109.4° |
| H17 | C17 | H17A | 113.1° | 109.5° |
| H18 | C18 | H18A | 112.9° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C01 | C22 | H01 | 180.0° | 179.6° |
| C01 | C02 | C03 | N01 | 178.7° | 180.0° |
| C01 | C02 | C03 | C04 | 178.1° | 180.0° |
| C01 | C02 | N01 | C05 | 178.2° | 180.0° |
| C01 | C02 | N01 | B | 49.4° | 0.0° |
| C02 | C01 | C22 | N02 | 3.1° | 0.1° |
| C02 | C01 | C22 | C21 | 177.3° | 179.9° |
| C01 | C02 | C03 | H03 | 1.9° | 0.0° |
| C22 | C01 | C02 | C03 | 148.3° | 180.0° |
| C22 | C01 | C02 | N01 | 30.4° | 0.0° |
| C01 | C22 | N02 | B | 0.7° | 0.1° |
| C01 | C22 | N02 | C14 | 179.5° | 180.0° |
| C01 | C22 | N02 | C21 | 179.6° | 179.9° |
| C01 | C22 | C21 | C20 | 179.7° | 179.9° |
| C01 | C22 | C21 | H21 | 0.3° | 0.1° |
| C02 | C03 | C04 | H03 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 0.3° | 0.0° |
| C03 | C02 | N01 | C05 | 0.7° | 0.0° |
| C03 | C02 | N01 | B | 129.5° | 180.0° |
| C03 | C02 | C01 | H01 | 31.7° | 0.4° |
| C02 | C03 | C04 | H04 | 179.7° | 180.0° |
| N01 | C02 | C03 | C04 | 0.6° | 0.0° |
| C02 | N01 | C05 | C04 | 0.5° | 0.0° |
| C02 | N01 | C05 | C06 | 179.2° | 180.0° |
| C02 | N01 | C05 | B | 123.6° | 180.0° |
| C02 | N01 | B | F01 | 81.9° | 121.9° |
| C02 | N01 | B | N02 | 40.6° | 0.0° |
| C02 | N01 | B | F02 | 159.0° | 121.9° |
| N01 | C02 | C01 | H01 | 149.7° | 179.7° |
| N01 | C02 | C03 | H03 | 179.4° | 180.0° |
| C03 | C04 | C05 | H04 | 180.0° | 179.9° |
| C03 | C04 | C05 | C06 | 179.6° | 180.0° |
| C03 | C04 | C05 | N01 | 0.1° | 0.0° |
| C04 | C05 | C06 | N01 | 179.7° | 180.0° |
| C04 | C05 | C06 | C07 | 0.7° | 85.0° |
| C04 | C05 | N01 | B | 124.1° | 180.0° |
| C05 | C04 | C03 | H03 | 179.7° | 180.0° |
| C04 | C05 | C06 | H06 | 120.6° | 155.0° |
| C04 | C05 | C06 | H06A | 115.1° | 35.0° |
| C05 | C06 | C07 | H06 | 120.0° | 120.0° |
| C05 | C06 | C07 | H06A | 115.7° | 120.0° |
| C05 | C06 | C07 | C08 | 166.2° | 180.0° |
| C06 | C05 | N01 | B | 55.6° | 0.0° |
| C06 | C05 | C04 | H04 | 0.5° | 0.0° |
| C05 | C06 | H06 | H06A | 116.3° | 120.0° |
| C05 | C06 | C07 | H07 | 46.2° | 60.0° |
| C05 | C06 | C07 | H07A | 73.8° | 60.0° |
| N01 | C05 | C06 | C07 | 179.0° | 95.0° |
| C05 | N01 | B | F01 | 39.5° | 58.1° |
| C05 | N01 | B | N02 | 162.0° | 180.0° |
| C05 | N01 | B | F02 | 79.6° | 58.1° |
| N01 | C05 | C04 | H04 | 179.8° | 180.0° |
| N01 | C05 | C06 | H06 | 59.0° | 25.0° |
| N01 | C05 | C06 | H06A | 65.2° | 145.0° |
| C06 | C07 | C08 | H07 | 120.0° | 120.0° |
| C06 | C07 | C08 | H07A | 119.9° | 119.9° |
| C06 | C07 | C08 | C09 | 85.1° | 180.0° |
| C07 | C06 | H06 | H06A | 116.3° | 120.0° |
| C06 | C07 | H07 | H07A | 120.0° | 119.9° |
| C06 | C07 | C08 | H08 | 154.8° | 60.0° |
| C06 | C07 | C08 | H08A | 34.1° | 60.0° |
| C07 | C08 | C09 | H08 | 120.0° | 120.0° |
| C07 | C08 | C09 | H08A | 119.2° | 120.0° |
| C07 | C08 | C09 | C10 | 130.5° | 180.0° |
| C08 | C07 | C06 | H06 | 73.8° | 60.0° |
| C08 | C07 | C06 | H06A | 50.5° | 60.0° |
| C08 | C07 | H07 | H07A | 120.0° | 120.1° |
| C07 | C08 | H08 | H08A | 119.3° | 120.0° |
| C07 | C08 | C09 | H09 | 109.6° | 60.0° |
| C07 | C08 | C09 | H09A | 11.2° | 60.0° |
| C08 | C09 | C10 | H09 | 120.0° | 120.0° |
| C08 | C09 | C10 | H09A | 119.2° | 120.0° |
| C08 | C09 | C10 | C11 | 61.6° | 180.0° |
| C09 | C08 | C07 | H07 | 34.8° | 60.0° |
| C09 | C08 | C07 | H07A | 154.9° | 60.0° |
| C09 | C08 | H08 | H08A | 119.2° | 120.0° |
| C08 | C09 | H09 | H09A | 119.3° | 120.0° |
| C08 | C09 | C10 | H10 | 58.4° | 60.0° |
| C08 | C09 | C10 | H10A | 179.1° | 60.0° |
| C09 | C10 | C11 | H10 | 120.0° | 120.0° |
| C09 | C10 | C11 | H10A | 119.3° | 120.0° |
| C09 | C10 | C11 | C12 | 134.0° | NaN° |
| C10 | C09 | C08 | H08 | 10.5° | 60.0° |
| C10 | C09 | C08 | H08A | 110.3° | 60.0° |
| C10 | C09 | H09 | H09A | 119.3° | 120.1° |
| C09 | C10 | H10 | H10A | 119.3° | 120.0° |
| C09 | C10 | C11 | H11 | 106.0° | 60.0° |
| C09 | C10 | C11 | H11A | 14.9° | 60.0° |
| C10 | C11 | C12 | H11 | 120.0° | 120.0° |
| C10 | C11 | C12 | H11A | 119.1° | 120.0° |
| C10 | C11 | C12 | C13 | 126.4° | 180.0° |
| C11 | C10 | C09 | H09 | 178.4° | 60.0° |
| C11 | C10 | C09 | H09A | 57.6° | 60.0° |
| C11 | C10 | H10 | H10A | 119.3° | 120.0° |
| C10 | C11 | H11 | H11A | 119.2° | 120.0° |
| C10 | C11 | C12 | H12 | 113.6° | 60.0° |
| C10 | C11 | C12 | H12A | 7.0° | 60.0° |
| C11 | C12 | C13 | H12 | 120.0° | 120.0° |
| C11 | C12 | C13 | H12A | 119.4° | 120.0° |
| C12 | C11 | C10 | H10 | 14.0° | 60.0° |
| C12 | C11 | C10 | H10A | 106.8° | 60.0° |
| C12 | C11 | H11 | H11A | 119.1° | 120.0° |
| C11 | C12 | H12 | H12A | 119.4° | 120.0° |
| C11 | C12 | C13 | H13 | 62.5° | 60.0° |
| C11 | C12 | C13 | H13A | 57.5° | 60.0° |
| C11 | C12 | C13 | H13B | 177.5° | 180.0° |
| C13 | C12 | C11 | H11 | 6.4° | 60.0° |
| C13 | C12 | C11 | H11A | 114.5° | 60.0° |
| C13 | C12 | H12 | H12A | 119.4° | 120.0° |
| C12 | C13 | H13 | H13A | 120.0° | 120.0° |
| C12 | C13 | H13 | H13B | 120.0° | 120.0° |
| C12 | C13 | H13A | H13B | 120.0° | 120.0° |
| N01 | B | F01 | N02 | 124.1° | 127.6° |
| N01 | B | F01 | F02 | 115.8° | 116.2° |
| N01 | B | N02 | F02 | 115.0° | 121.9° |
| N01 | B | N02 | C14 | 160.8° | 180.0° |
| N01 | B | N02 | C22 | 19.0° | 0.1° |
| F01 | B | N02 | F02 | 120.3° | 116.1° |
| F01 | B | N02 | C14 | 74.5° | 58.0° |
| F01 | B | N02 | C22 | 105.7° | 121.9° |
| B | N02 | C14 | C22 | 179.8° | 179.9° |
| B | N02 | C14 | C15 | 0.2° | 0.0° |
| B | N02 | C14 | C20 | 179.1° | 180.0° |
| B | N02 | C22 | C21 | 178.9° | 180.0° |
| F02 | B | N02 | C14 | 45.8° | 58.1° |
| F02 | B | N02 | C22 | 134.0° | 122.0° |
| N02 | C14 | C15 | C20 | 179.2° | 180.0° |
| N02 | C14 | C15 | C16 | 111.8° | 115.0° |
| N02 | C14 | C20 | C21 | 0.3° | 0.1° |
| C14 | N02 | C22 | C21 | 0.9° | 0.1° |
| N02 | C14 | C15 | H15 | 128.2° | 125.0° |
| N02 | C14 | C15 | H15A | 5.5° | 5.0° |
| N02 | C14 | C20 | H20 | 179.7° | 180.0° |
| C22 | N02 | C14 | C15 | 180.0° | 179.9° |
| C22 | N02 | C14 | C20 | 0.8° | 0.1° |
| N02 | C22 | C21 | C20 | 0.7° | 0.0° |
| N02 | C22 | C01 | H01 | 176.9° | 179.8° |
| N02 | C22 | C21 | H21 | 179.3° | 179.9° |
| C14 | C15 | C16 | H15 | 120.0° | 120.0° |
| C14 | C15 | C16 | H15A | 117.3° | 120.1° |
| C14 | C15 | C16 | C17 | 174.7° | 180.0° |
| C15 | C14 | C20 | C21 | 179.6° | 180.0° |
| C14 | C15 | H15 | H15A | 117.6° | 120.0° |
| C14 | C15 | C16 | H16 | 54.7° | 60.0° |
| C14 | C15 | C16 | H16A | 65.0° | 59.9° |
| C15 | C14 | C20 | H20 | 0.4° | 0.1° |
| C20 | C14 | C15 | C16 | 69.0° | 65.0° |
| C14 | C20 | C21 | H20 | 180.0° | 179.9° |
| C14 | C20 | C21 | C22 | 0.3° | 0.0° |
| C20 | C14 | C15 | H15 | 51.0° | 54.9° |
| C20 | C14 | C15 | H15A | 173.7° | 174.9° |
| C14 | C20 | C21 | H21 | 179.7° | 180.0° |
| C15 | C16 | C17 | H16 | 120.0° | 120.0° |
| C15 | C16 | C17 | H16A | 120.2° | 120.0° |
| C15 | C16 | C17 | C18 | 179.7° | 180.0° |
| C16 | C15 | H15 | H15A | 117.5° | 120.0° |
| C15 | C16 | H16 | H16A | 120.2° | 119.9° |
| C15 | C16 | C17 | H17 | 59.7° | 60.0° |
| C15 | C16 | C17 | H17A | 62.4° | 60.0° |
| C16 | C17 | C18 | H17 | 120.0° | 120.0° |
| C16 | C17 | C18 | H17A | 118.0° | 120.1° |
| C16 | C17 | C18 | C19 | 154.4° | 180.0° |
| C17 | C16 | C15 | H15 | 65.3° | 60.0° |
| C17 | C16 | C15 | H15A | 57.4° | 60.0° |
| C17 | C16 | H16 | H16A | 120.2° | 120.0° |
| C16 | C17 | H17 | H17A | 118.1° | 120.0° |
| C16 | C17 | C18 | H18 | 34.4° | 60.0° |
| C16 | C17 | C18 | H18A | 87.5° | 59.9° |
| C17 | C18 | C19 | H18 | 120.0° | 119.9° |
| C17 | C18 | C19 | H18A | 118.1° | 120.1° |
| C17 | C18 | C19 | O01 | 47.7° | 180.0° |
| C17 | C18 | C19 | O02 | 133.7° | 0.1° |
| C18 | C17 | C16 | H16 | 60.3° | 60.0° |
| C18 | C17 | C16 | H16A | 59.5° | 60.0° |
| C18 | C17 | H17 | H17A | 118.1° | 120.0° |
| C17 | C18 | H18 | H18A | 118.2° | 120.0° |
| C18 | C19 | O01 | O02 | 178.7° | 180.0° |
| C19 | C18 | C17 | H17 | 85.6° | 60.1° |
| C19 | C18 | C17 | H17A | 36.4° | 59.9° |
| C19 | C18 | H18 | H18A | 118.2° | 120.0° |
| C18 | C19 | O01 | HO01 | 178.7° | 180.0° |
| O01 | C19 | C18 | H18 | 72.3° | 60.1° |
| O01 | C19 | C18 | H18A | 165.8° | 60.0° |
| O02 | C19 | C18 | H18 | 106.3° | 120.0° |
| O02 | C19 | C18 | H18A | 15.6° | 120.0° |
| O02 | C19 | O01 | HO01 | 0.0° | 0.0° |
| C20 | C21 | C22 | H21 | 180.0° | 179.9° |
| C21 | C22 | C01 | H01 | 2.6° | 0.4° |
| C22 | C21 | C20 | H20 | 179.7° | 179.9° |
| H03 | C03 | C04 | H04 | 0.3° | 0.0° |
| H06 | C06 | C07 | H07 | 166.2° | 180.0° |
| H06 | C06 | C07 | H07A | 46.1° | 60.0° |
| H06A | C06 | C07 | H07 | 69.5° | 60.0° |
| H06A | C06 | C07 | H07A | 170.4° | 180.0° |
| H07 | C07 | C08 | H08 | 85.2° | 180.0° |
| H07 | C07 | C08 | H08A | 154.1° | 60.0° |
| H07A | C07 | C08 | H08 | 34.9° | 60.0° |
| H07A | C07 | C08 | H08A | 85.9° | 180.0° |
| H08 | C08 | C09 | H09 | 130.4° | 180.0° |
| H08 | C08 | C09 | H09A | 108.8° | 60.0° |
| H08A | C08 | C09 | H09 | 9.7° | 60.0° |
| H08A | C08 | C09 | H09A | 130.4° | 180.0° |
| H09 | C09 | C10 | H10 | 61.6° | 180.0° |
| H09 | C09 | C10 | H10A | 59.1° | 60.0° |
| H09A | C09 | C10 | H10 | 177.6° | 60.0° |
| H09A | C09 | C10 | H10A | 61.7° | 180.0° |
| H10 | C10 | C11 | H11 | 133.9° | 180.0° |
| H10 | C10 | C11 | H11A | 105.1° | 60.0° |
| H10A | C10 | C11 | H11 | 13.2° | 60.0° |
| H10A | C10 | C11 | H11A | 134.1° | 180.0° |
| H11 | C11 | C12 | H12 | 126.4° | 180.0° |
| H11 | C11 | C12 | H12A | 113.0° | 60.0° |
| H11A | C11 | C12 | H12 | 5.5° | 60.0° |
| H11A | C11 | C12 | H12A | 126.1° | NaN° |
| H12 | C12 | C13 | H13 | 177.5° | 180.0° |
| H12 | C12 | C13 | H13A | 62.5° | 60.0° |
| H12 | C12 | C13 | H13B | 57.5° | 60.0° |
| H12A | C12 | C13 | H13 | 56.9° | 60.0° |
| H12A | C12 | C13 | H13A | 176.9° | 180.0° |
| H12A | C12 | C13 | H13B | 63.1° | 60.0° |
| H13 | C13 | H13A | H13B | 120.0° | 120.1° |
| H15 | C15 | C16 | H16 | 174.7° | 180.0° |
| H15 | C15 | C16 | H16A | 55.0° | 60.0° |
| H15A | C15 | C16 | H16 | 62.6° | 60.1° |
| H15A | C15 | C16 | H16A | 177.6° | 180.0° |
| H16 | C16 | C17 | H17 | 179.7° | 180.0° |
| H16 | C16 | C17 | H17A | 57.7° | 60.0° |
| H16A | C16 | C17 | H17 | 60.6° | 60.0° |
| H16A | C16 | C17 | H17A | 177.4° | 180.0° |
| H17 | C17 | C18 | H18 | 154.4° | 180.0° |
| H17 | C17 | C18 | H18A | 32.5° | 60.0° |
| H17A | C17 | C18 | H18 | 83.6° | 60.0° |
| H17A | C17 | C18 | H18A | 154.5° | 180.0° |
| H20 | C20 | C21 | H21 | 0.3° | 0.1° |
