QEM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C | doub | 1.38Å | 1.39Å | Aromatic |
| C | C16 | sing | 1.38Å | 1.41Å | Aromatic |
| C | H | sing | 1.08Å | 1.08Å | |
| C10 | N | sing | 1.47Å | 1.44Å | |
| N | C13 | sing | 1.47Å | 1.47Å | |
| N | C11 | sing | 1.47Å | 1.45Å | |
| O | C20 | sing | 1.36Å | 1.43Å | |
| O | HO | sing | 0.97Å | 0.95Å | |
| C02 | C01 | doub | 1.38Å | 1.42Å | Aromatic |
| C01 | C06 | sing | 1.38Å | 1.40Å | Aromatic |
| C01 | H01 | sing | 1.08Å | 1.08Å | |
| C15 | O01 | sing | 1.43Å | 1.41Å | |
| O01 | HO01 | sing | 0.97Å | 0.95Å | |
| C07 | C02 | sing | 1.51Å | 1.53Å | |
| C02 | C03 | sing | 1.38Å | 1.39Å | Aromatic |
| C03 | C04 | doub | 1.38Å | 1.41Å | Aromatic |
| C03 | H03 | sing | 1.08Å | 1.08Å | |
| C04 | C05 | sing | 1.38Å | 1.41Å | Aromatic |
| C04 | H04 | sing | 1.08Å | 1.08Å | |
| C06 | C05 | doub | 1.38Å | 1.38Å | Aromatic |
| C05 | H05 | sing | 1.08Å | 1.08Å | |
| C06 | H06 | sing | 1.08Å | 1.08Å | |
| C07 | C08 | sing | 1.53Å | 1.56Å | |
| C07 | H07 | sing | 1.09Å | 1.10Å | |
| C07 | H07A | sing | 1.09Å | 1.10Å | |
| C09 | C08 | sing | 1.53Å | 1.44Å | |
| C08 | C12 | sing | 1.53Å | 1.48Å | |
| C08 | H08 | sing | 1.09Å | 1.10Å | |
| C09 | C10 | sing | 1.53Å | 1.49Å | |
| 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 | |
| C12 | C11 | sing | 1.53Å | 1.49Å | |
| 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 | |
| C14 | C13 | sing | 1.53Å | 1.51Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C17 | C14 | sing | 1.53Å | 1.53Å | |
| C14 | C15 | sing | 1.53Å | 1.49Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | C15 | sing | 1.51Å | 1.53Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C17 | H17B | sing | 1.09Å | 1.10Å | |
| C19 | C18 | sing | 1.38Å | 1.41Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C20 | C19 | doub | 1.39Å | 1.38Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C21 | C20 | sing | 1.39Å | 1.40Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | C | C16 | 119.8° | 120.0° |
| C21 | C | H | 120.1° | 120.0° |
| C | C21 | C20 | 120.7° | 119.9° |
| C | C21 | H21 | 119.6° | 120.0° |
| C16 | C | H | 120.1° | 120.0° |
| C | C16 | C15 | 121.9° | 119.9° |
| C | C16 | C18 | 118.9° | 120.1° |
| C10 | N | C13 | 138.7° | 111.0° |
| C10 | N | C11 | 111.2° | 111.2° |
| N | C10 | C09 | 108.6° | 109.5° |
| N | C10 | H10 | 109.7° | 109.5° |
| N | C10 | H10A | 109.8° | 109.5° |
| C13 | N | C11 | 99.8° | 111.0° |
| N | C13 | C14 | 116.4° | 109.5° |
| N | C13 | H13 | 107.2° | 109.5° |
| N | C13 | H13A | 107.2° | 109.5° |
| N | C11 | C12 | 111.4° | 109.5° |
| N | C11 | H11 | 108.8° | 109.5° |
| N | C11 | H11A | 108.8° | 109.5° |
| C20 | O | HO | 109.5° | 114.0° |
| O | C20 | C19 | 118.9° | 120.1° |
| O | C20 | C21 | 121.6° | 120.0° |
| C02 | C01 | C06 | 119.8° | 120.0° |
| C02 | C01 | H01 | 120.1° | 120.0° |
| C01 | C02 | C07 | 119.6° | 120.0° |
| C01 | C02 | C03 | 120.3° | 120.0° |
| C06 | C01 | H01 | 120.1° | 120.0° |
| C01 | C06 | C05 | 119.2° | 120.0° |
| C01 | C06 | H06 | 120.4° | 119.9° |
| C15 | O01 | HO01 | 109.5° | 114.1° |
| O01 | C15 | C14 | 109.8° | 109.5° |
| O01 | C15 | C16 | 107.9° | 109.5° |
| O01 | C15 | H15 | 114.3° | 109.5° |
| C07 | C02 | C03 | 120.1° | 120.0° |
| C02 | C07 | C08 | 111.5° | 109.5° |
| C02 | C07 | H07 | 108.8° | 109.5° |
| C02 | C07 | H07A | 108.8° | 109.4° |
| C02 | C03 | C04 | 120.0° | 120.0° |
| C02 | C03 | H03 | 120.0° | 120.0° |
| C04 | C03 | H03 | 120.0° | 120.0° |
| C03 | C04 | C05 | 118.7° | 120.0° |
| C03 | C04 | H04 | 120.7° | 120.0° |
| C05 | C04 | H04 | 120.7° | 120.0° |
| C04 | C05 | C06 | 122.0° | 120.0° |
| C04 | C05 | H05 | 119.0° | 120.0° |
| C06 | C05 | H05 | 119.0° | 120.0° |
| C05 | C06 | H06 | 120.4° | 120.1° |
| C08 | C07 | H07 | 108.8° | 109.5° |
| C08 | C07 | H07A | 108.8° | 109.5° |
| C07 | C08 | C09 | 105.7° | 109.5° |
| C07 | C08 | C12 | 109.5° | 109.5° |
| C07 | C08 | H08 | 113.5° | 109.5° |
| H07 | C07 | H07A | 110.1° | 109.4° |
| C09 | C08 | C12 | 113.7° | 109.2° |
| C09 | C08 | H08 | 109.3° | 109.6° |
| C08 | C09 | C10 | 112.3° | 109.3° |
| C08 | C09 | H09 | 108.6° | 109.5° |
| C08 | C09 | H09A | 108.6° | 109.5° |
| C12 | C08 | H08 | 105.4° | 109.5° |
| C08 | C12 | C11 | 114.1° | 109.3° |
| C08 | C12 | H12 | 107.9° | 109.5° |
| C08 | C12 | H12A | 107.9° | 109.5° |
| C10 | C09 | H09 | 108.5° | 109.5° |
| C10 | C09 | H09A | 108.5° | 109.5° |
| C09 | C10 | H10 | 109.8° | 109.5° |
| C09 | C10 | H10A | 109.7° | 109.5° |
| H09 | C09 | H09A | 110.4° | 109.6° |
| H10 | C10 | H10A | 109.2° | 109.4° |
| C12 | C11 | H11 | 108.8° | 109.5° |
| C12 | C11 | H11A | 108.8° | 109.4° |
| C11 | C12 | H12 | 108.0° | 109.5° |
| C11 | C12 | H12A | 108.0° | 109.5° |
| H11 | C11 | H11A | 110.1° | 109.5° |
| H12 | C12 | H12A | 110.9° | 109.5° |
| C14 | C13 | H13 | 107.2° | 109.4° |
| C14 | C13 | H13A | 107.2° | 109.5° |
| C13 | C14 | C17 | 107.7° | 109.5° |
| C13 | C14 | C15 | 107.3° | 109.5° |
| C13 | C14 | H14 | 113.1° | 109.5° |
| H13 | C13 | H13A | 111.6° | 109.5° |
| C17 | C14 | C15 | 112.6° | 109.5° |
| C17 | C14 | H14 | 107.9° | 109.4° |
| C14 | C17 | H17 | 109.5° | 109.5° |
| C14 | C17 | H17A | 109.5° | 109.5° |
| C14 | C17 | H17B | 109.5° | 109.5° |
| C15 | C14 | H14 | 108.3° | 109.5° |
| C14 | C15 | C16 | 119.0° | 109.5° |
| C14 | C15 | H15 | 101.9° | 109.5° |
| C16 | C15 | H15 | 104.0° | 109.5° |
| C15 | C16 | C18 | 119.1° | 120.0° |
| C16 | C18 | C19 | 121.0° | 120.1° |
| C16 | C18 | H18 | 119.5° | 119.9° |
| H17 | C17 | H17A | 109.5° | 109.5° |
| H17 | C17 | H17B | 109.5° | 109.4° |
| H17A | C17 | H17B | 109.4° | 109.4° |
| C19 | C18 | H18 | 119.5° | 120.0° |
| C18 | C19 | C20 | 119.9° | 120.0° |
| C18 | C19 | H19 | 120.0° | 120.0° |
| C20 | C19 | H19 | 120.0° | 120.0° |
| C19 | C20 | C21 | 119.5° | 119.9° |
| C20 | C21 | H21 | 119.6° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | C | C16 | H | 180.0° | 179.7° |
| C | C21 | C20 | O | 179.3° | 179.7° |
| C21 | C | C16 | C15 | 178.7° | 179.7° |
| C21 | C | C16 | C18 | 1.2° | 0.2° |
| C | C21 | C20 | C19 | 0.4° | 0.6° |
| C | C21 | C20 | H21 | 180.0° | 179.4° |
| C | C16 | C15 | O01 | 158.4° | 140.0° |
| C | C16 | C15 | C14 | 75.8° | 100.0° |
| C | C16 | C15 | C18 | 177.6° | 179.9° |
| C | C16 | C15 | H15 | 36.6° | 20.0° |
| C | C16 | C18 | C19 | 1.4° | 0.1° |
| C | C16 | C18 | H18 | 178.6° | 180.0° |
| C16 | C | C21 | C20 | 0.7° | 0.6° |
| C16 | C | C21 | H21 | 179.3° | 180.0° |
| H | C | C16 | C15 | 1.3° | 0.0° |
| H | C | C16 | C18 | 178.8° | 180.0° |
| H | C | C21 | C20 | 179.3° | 179.7° |
| H | C | C21 | H21 | 0.7° | 0.2° |
| C10 | N | C13 | C11 | 138.9° | 124.2° |
| N | C10 | C09 | C08 | 58.8° | 59.2° |
| N | C10 | C09 | H10 | 120.0° | 120.0° |
| N | C10 | C09 | H10A | 120.0° | 120.0° |
| N | C10 | C09 | H09 | 61.2° | 60.7° |
| N | C10 | C09 | H09A | 178.8° | 179.1° |
| N | C10 | H10 | H10A | 120.3° | 120.0° |
| C10 | N | C11 | C12 | 56.9° | 61.7° |
| C10 | N | C11 | H11 | 177.0° | 178.2° |
| C10 | N | C11 | H11A | 63.1° | 58.3° |
| C10 | N | C13 | C14 | 53.4° | 65.8° |
| C10 | N | C13 | H13 | 66.7° | 54.2° |
| C10 | N | C13 | H13A | 173.4° | 174.2° |
| C13 | N | C10 | C09 | 161.0° | 174.2° |
| C13 | N | C10 | H10 | 79.0° | 65.8° |
| C13 | N | C10 | H10A | 41.0° | 54.1° |
| C13 | N | C11 | C12 | 150.8° | 174.2° |
| C13 | N | C11 | H11 | 30.8° | 54.1° |
| C13 | N | C11 | H11A | 89.2° | 65.8° |
| N | C13 | C14 | H13 | 120.0° | 120.0° |
| N | C13 | C14 | H13A | 120.0° | 120.0° |
| N | C13 | H13 | H13A | 117.1° | 120.0° |
| N | C13 | C14 | C17 | 124.6° | 65.0° |
| N | C13 | C14 | C15 | 113.9° | 175.0° |
| N | C13 | C14 | H14 | 5.4° | 55.0° |
| N | C11 | C12 | C08 | 45.5° | 59.1° |
| C11 | N | C10 | C09 | 63.0° | 61.7° |
| C11 | N | C10 | H10 | 57.0° | 58.3° |
| C11 | N | C10 | H10A | 177.0° | 178.2° |
| N | C11 | C12 | H11 | 120.0° | 120.0° |
| N | C11 | C12 | H11A | 120.0° | 120.0° |
| N | C11 | H11 | H11A | 119.2° | 120.0° |
| N | C11 | C12 | H12 | 165.5° | 179.1° |
| N | C11 | C12 | H12A | 74.5° | 60.8° |
| C11 | N | C13 | C14 | 167.7° | 170.0° |
| C11 | N | C13 | H13 | 72.3° | 70.1° |
| C11 | N | C13 | H13A | 47.7° | 50.0° |
| O | C20 | C19 | C18 | 179.2° | 180.0° |
| O | C20 | C19 | C21 | 179.7° | 179.7° |
| O | C20 | C19 | H19 | 0.8° | 0.0° |
| O | C20 | C21 | H21 | 0.7° | 0.3° |
| HO | O | C20 | C19 | 180.0° | 90.0° |
| HO | O | C20 | C21 | 0.3° | 89.7° |
| C02 | C01 | C06 | H01 | 180.0° | 179.7° |
| C01 | C02 | C07 | C03 | 179.6° | 179.9° |
| C01 | C02 | C03 | C04 | 0.3° | 0.1° |
| C01 | C02 | C03 | H03 | 179.7° | 180.0° |
| C02 | C01 | C06 | C05 | 0.3° | 0.1° |
| C02 | C01 | C06 | H06 | 179.7° | 179.8° |
| C01 | C02 | C07 | C08 | 105.7° | 89.9° |
| C01 | C02 | C07 | H07 | 14.3° | 150.0° |
| C01 | C02 | C07 | H07A | 134.3° | 30.1° |
| C06 | C01 | C02 | C07 | 179.9° | 179.9° |
| C06 | C01 | C02 | C03 | 0.3° | 0.0° |
| C01 | C06 | C05 | C04 | 0.2° | 0.1° |
| C01 | C06 | C05 | H06 | 180.0° | 179.9° |
| C01 | C06 | C05 | H05 | 179.8° | 180.0° |
| H01 | C01 | C02 | C07 | 0.1° | 0.2° |
| H01 | C01 | C02 | C03 | 179.7° | 179.7° |
| H01 | C01 | C06 | C05 | 179.7° | 179.8° |
| H01 | C01 | C06 | H06 | 0.3° | 0.1° |
| O01 | C15 | C14 | C13 | 43.2° | 65.0° |
| O01 | C15 | C14 | C17 | 75.1° | 55.0° |
| O01 | C15 | C14 | C16 | 125.0° | 120.0° |
| O01 | C15 | C14 | H15 | 121.5° | 120.0° |
| O01 | C15 | C14 | H14 | 165.6° | 175.0° |
| O01 | C15 | C16 | H15 | 121.7° | 120.0° |
| O01 | C15 | C16 | C18 | 19.2° | 40.0° |
| HO01 | O01 | C15 | C14 | 180.0° | 60.0° |
| HO01 | O01 | C15 | C16 | 48.9° | 60.0° |
| HO01 | O01 | C15 | H15 | 66.3° | 180.0° |
| C07 | C02 | C03 | C04 | 179.8° | 180.0° |
| C07 | C02 | C03 | H03 | 0.2° | 0.1° |
| C02 | C07 | C08 | H07 | 120.0° | 120.1° |
| C02 | C07 | C08 | H07A | 120.0° | 119.9° |
| C02 | C07 | H07 | H07A | 119.2° | 119.9° |
| C02 | C07 | C08 | C09 | 157.8° | 65.3° |
| C02 | C07 | C08 | C12 | 79.3° | 175.0° |
| C02 | C07 | C08 | H08 | 38.1° | 54.9° |
| C02 | C03 | C04 | H03 | 180.0° | 179.9° |
| C02 | C03 | C04 | C05 | 0.2° | 0.1° |
| C02 | C03 | C04 | H04 | 179.8° | 179.9° |
| C03 | C02 | C07 | C08 | 74.8° | 90.0° |
| C03 | C02 | C07 | H07 | 165.2° | 30.1° |
| C03 | C02 | C07 | H07A | 45.2° | 150.0° |
| C03 | C04 | C05 | H04 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 0.2° | 0.0° |
| C03 | C04 | C05 | H05 | 179.8° | 179.9° |
| H03 | C03 | C04 | C05 | 179.8° | 180.0° |
| H03 | C03 | C04 | H04 | 0.2° | 0.0° |
| C04 | C05 | C06 | H05 | 180.0° | 179.9° |
| C04 | C05 | C06 | H06 | 179.8° | 179.8° |
| H04 | C04 | C05 | C06 | 179.8° | 180.0° |
| H04 | C04 | C05 | H05 | 0.2° | 0.1° |
| H05 | C05 | C06 | H06 | 0.2° | 0.1° |
| C08 | C07 | H07 | H07A | 119.1° | 120.0° |
| C07 | C08 | C09 | C12 | 120.1° | 119.9° |
| C07 | C08 | C09 | H08 | 122.4° | 120.2° |
| C07 | C08 | C12 | H08 | 122.4° | 120.1° |
| C07 | C08 | C09 | C10 | 168.8° | 177.6° |
| C07 | C08 | C09 | H09 | 48.8° | 57.6° |
| C07 | C08 | C09 | H09A | 71.2° | 62.5° |
| C07 | C08 | C12 | C11 | 160.1° | 177.6° |
| C07 | C08 | C12 | H12 | 79.8° | 62.5° |
| C07 | C08 | C12 | H12A | 40.1° | 57.7° |
| H07 | C07 | C08 | C09 | 82.2° | 174.7° |
| H07 | C07 | C08 | C12 | 40.7° | 54.9° |
| H07 | C07 | C08 | H08 | 158.1° | 65.1° |
| H07A | C07 | C08 | C09 | 37.8° | 54.7° |
| H07A | C07 | C08 | C12 | 160.7° | 65.1° |
| H07A | C07 | C08 | H08 | 81.9° | 174.9° |
| C09 | C08 | C12 | H08 | 119.7° | 120.0° |
| C08 | C09 | C10 | H09 | 120.0° | 119.9° |
| C08 | C09 | C10 | H09A | 120.0° | 119.9° |
| C08 | C09 | H09 | H09A | 118.9° | 120.0° |
| C08 | C09 | C10 | H10 | 61.2° | 60.8° |
| C08 | C09 | C10 | H10A | 178.8° | 179.2° |
| C09 | C08 | C12 | C11 | 42.2° | 57.6° |
| C09 | C08 | C12 | H12 | 162.2° | 177.6° |
| C09 | C08 | C12 | H12A | 77.8° | 62.3° |
| C12 | C08 | C09 | C10 | 48.7° | 57.6° |
| C12 | C08 | C09 | H09 | 71.3° | 62.3° |
| C12 | C08 | C09 | H09A | 168.7° | 177.6° |
| C08 | C12 | C11 | H12 | 120.0° | 120.0° |
| C08 | C12 | C11 | H12A | 120.0° | 119.9° |
| C08 | C12 | C11 | H11 | 165.6° | 179.2° |
| C08 | C12 | C11 | H11A | 74.5° | 60.9° |
| C08 | C12 | H12 | H12A | 118.1° | 120.1° |
| H08 | C08 | C09 | C10 | 68.8° | 62.3° |
| H08 | C08 | C09 | H09 | 171.2° | 177.8° |
| H08 | C08 | C09 | H09A | 51.2° | 57.7° |
| H08 | C08 | C12 | C11 | 77.5° | 62.3° |
| H08 | C08 | C12 | H12 | 42.5° | 57.6° |
| H08 | C08 | C12 | H12A | 162.5° | 177.8° |
| C10 | C09 | H09 | H09A | 118.8° | 120.2° |
| C09 | C10 | H10 | H10A | 120.3° | 120.0° |
| H09 | C09 | C10 | H10 | 178.8° | 179.3° |
| H09 | C09 | C10 | H10A | 58.8° | 59.3° |
| H09A | C09 | C10 | H10 | 58.8° | 59.1° |
| H09A | C09 | C10 | H10A | 61.2° | 60.9° |
| C12 | C11 | H11 | H11A | 119.2° | 119.9° |
| C11 | C12 | H12 | H12A | 118.1° | 120.0° |
| H11 | C11 | C12 | H12 | 74.4° | 60.9° |
| H11 | C11 | C12 | H12A | 45.6° | 59.2° |
| H11A | C11 | C12 | H12 | 45.6° | 59.1° |
| H11A | C11 | C12 | H12A | 165.5° | 179.2° |
| C14 | C13 | H13 | H13A | 117.1° | 120.0° |
| C13 | C14 | C17 | C15 | 118.1° | 120.0° |
| C13 | C14 | C17 | H14 | 122.4° | 120.0° |
| C13 | C14 | C15 | H14 | 122.4° | 120.0° |
| C13 | C14 | C15 | C16 | 168.2° | 175.0° |
| C13 | C14 | C15 | H15 | 78.3° | 55.0° |
| C13 | C14 | C17 | H17 | 180.0° | 60.0° |
| C13 | C14 | C17 | H17A | 60.0° | 180.0° |
| C13 | C14 | C17 | H17B | 60.0° | 60.0° |
| H13 | C13 | C14 | C17 | 115.4° | 175.1° |
| H13 | C13 | C14 | C15 | 6.1° | 55.0° |
| H13 | C13 | C14 | H14 | 125.5° | 65.0° |
| H13A | C13 | C14 | C17 | 4.6° | 55.0° |
| H13A | C13 | C14 | C15 | 126.1° | 65.0° |
| H13A | C13 | C14 | H14 | 114.5° | 175.0° |
| C17 | C14 | C15 | H14 | 119.2° | 119.9° |
| C17 | C14 | C15 | C16 | 49.9° | 65.0° |
| C17 | C14 | C15 | H15 | 163.4° | 175.1° |
| C14 | C17 | H17 | H17A | 120.0° | 120.1° |
| C14 | C17 | H17 | H17B | 120.0° | 120.0° |
| C14 | C17 | H17A | H17B | 120.0° | 120.0° |
| C14 | C15 | C16 | H15 | 112.4° | 120.0° |
| C14 | C15 | C16 | C18 | 106.7° | 80.0° |
| C15 | C14 | C17 | H17 | 61.8° | 180.0° |
| C15 | C14 | C17 | H17A | 58.2° | 60.0° |
| C15 | C14 | C17 | H17B | 178.1° | 60.0° |
| H14 | C14 | C15 | C16 | 69.4° | 55.0° |
| H14 | C14 | C15 | H15 | 44.1° | 65.0° |
| H14 | C14 | C17 | H17 | 57.6° | 60.0° |
| H14 | C14 | C17 | H17A | 177.6° | 60.0° |
| H14 | C14 | C17 | H17B | 62.4° | 180.0° |
| C15 | C16 | C18 | C19 | 179.0° | 180.0° |
| C15 | C16 | C18 | H18 | 1.0° | 0.0° |
| H15 | C15 | C16 | C18 | 141.0° | 160.1° |
| C16 | C18 | C19 | H18 | 180.0° | 180.0° |
| C16 | C18 | C19 | C20 | 1.1° | 0.0° |
| C16 | C18 | C19 | H19 | 178.9° | 180.0° |
| H17 | C17 | H17A | H17B | 120.0° | 120.0° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 0.6° | 0.3° |
| H18 | C18 | C19 | C20 | 178.9° | 180.0° |
| H18 | C18 | C19 | H19 | 1.1° | 0.0° |
| C19 | C20 | C21 | H21 | 179.6° | 179.9° |
| H19 | C19 | C20 | C21 | 179.4° | 179.7° |
