IIG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | N1 | sing | 1.47Å | 1.46Å | |
| N1 | C13 | sing | 1.47Å | 1.46Å | |
| N1 | C11 | sing | 1.35Å | 1.34Å | |
| C3 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.42Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C11 | sing | 1.48Å | 1.52Å | |
| C5 | C6 | doub | 1.40Å | 1.40Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C2 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | C8 | sing | 1.53Å | 1.52Å | |
| O1 | C8 | sing | 1.43Å | 1.46Å | |
| C8 | C2 | sing | 1.51Å | 1.51Å | |
| C8 | C10 | sing | 1.53Å | 1.51Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C10 | H10B | sing | 1.09Å | 1.10Å | |
| C15 | C13 | sing | 1.53Å | 1.52Å | |
| C14 | C13 | sing | 1.53Å | 1.54Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | C14 | sing | 1.53Å | 1.51Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C1 | C17 | sing | 1.53Å | 1.57Å | |
| C17 | C16 | sing | 1.53Å | 1.51Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C22 | C20 | sing | 1.53Å | 1.53Å | |
| C21 | C20 | sing | 1.53Å | 1.55Å | |
| C1 | C20 | sing | 1.53Å | 1.53Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | C21 | sing | 1.53Å | 1.54Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| O3 | C1 | sing | 1.43Å | 1.42Å | |
| C1 | C18 | sing | 1.53Å | 1.50Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C19 | C12 | sing | 1.53Å | 1.53Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C12 | C16 | sing | 1.53Å | 1.49Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C11 | O2 | doub | 1.22Å | 1.24Å | |
| C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| F1 | C9 | sing | 1.40Å | 1.33Å | |
| F2 | C9 | sing | 1.40Å | 1.32Å | |
| C9 | F3 | sing | 1.40Å | 1.34Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | N1 | C13 | 118.9° | 120.0° |
| C12 | N1 | C11 | 123.7° | 120.0° |
| N1 | C12 | C19 | 117.2° | 109.4° |
| N1 | C12 | C16 | 107.9° | 109.5° |
| N1 | C12 | H12 | 102.6° | 109.5° |
| C13 | N1 | C11 | 117.0° | 120.0° |
| N1 | C13 | C15 | 118.0° | 117.5° |
| N1 | C13 | C14 | 108.9° | 117.5° |
| N1 | C13 | H13 | 97.6° | 115.5° |
| N1 | C11 | C5 | 118.3° | 120.0° |
| N1 | C11 | O2 | 123.6° | 120.0° |
| C3 | C4 | C5 | 120.3° | 119.8° |
| C3 | C4 | H4 | 119.8° | 120.1° |
| C4 | C3 | C2 | 117.6° | 120.1° |
| C4 | C3 | H3 | 121.2° | 119.9° |
| C5 | C4 | H4 | 119.9° | 120.1° |
| C4 | C5 | C11 | 116.9° | 120.2° |
| C4 | C5 | C6 | 121.2° | 119.7° |
| C11 | C5 | C6 | 121.7° | 120.1° |
| C5 | C11 | O2 | 118.1° | 120.0° |
| C5 | C6 | C7 | 118.2° | 119.8° |
| C5 | C6 | H6 | 120.9° | 120.1° |
| C7 | C6 | H6 | 120.9° | 120.1° |
| C6 | C7 | C2 | 120.2° | 120.1° |
| C6 | C7 | H7 | 119.9° | 119.9° |
| C2 | C7 | H7 | 119.9° | 120.0° |
| C7 | C2 | C8 | 119.4° | 119.9° |
| C7 | C2 | C3 | 122.5° | 120.3° |
| C9 | C8 | O1 | 107.3° | 109.4° |
| C9 | C8 | C2 | 108.1° | 109.5° |
| C9 | C8 | C10 | 105.3° | 109.5° |
| C8 | C9 | F1 | 112.4° | 109.5° |
| C8 | C9 | F2 | 103.0° | 109.4° |
| C8 | C9 | F3 | 109.9° | 109.5° |
| O1 | C8 | C2 | 109.1° | 109.5° |
| O1 | C8 | C10 | 115.4° | 109.4° |
| C8 | O1 | HO1 | 109.5° | 114.0° |
| C2 | C8 | C10 | 111.3° | 109.5° |
| C8 | C2 | C3 | 118.1° | 119.8° |
| C8 | C10 | H10 | 109.5° | 109.4° |
| C8 | C10 | H10A | 109.5° | 109.5° |
| C8 | C10 | H10B | 109.5° | 109.5° |
| H10 | C10 | H10A | 109.5° | 109.5° |
| H10 | C10 | H10B | 109.5° | 109.4° |
| H10A | C10 | H10B | 109.5° | 109.5° |
| C15 | C13 | C14 | 59.2° | 60.0° |
| C15 | C13 | H13 | 131.9° | 117.5° |
| C13 | C15 | C14 | 61.1° | 60.0° |
| C13 | C15 | H15 | 130.3° | 117.5° |
| C13 | C15 | H15A | 135.4° | 117.5° |
| C14 | C13 | H13 | 139.6° | 117.5° |
| C13 | C14 | C15 | 59.7° | 60.0° |
| C13 | C14 | H14 | 131.1° | 117.5° |
| C13 | C14 | H14A | 136.1° | 117.5° |
| C14 | C15 | H15 | 130.2° | 117.6° |
| C14 | C15 | H15A | 135.4° | 117.5° |
| C15 | C14 | H14 | 131.0° | 117.5° |
| C15 | C14 | H14A | 136.2° | 117.5° |
| H15 | C15 | H15A | 75.6° | 115.5° |
| C1 | C17 | C16 | 116.3° | 109.5° |
| C1 | C17 | H17 | 107.3° | 109.5° |
| C1 | C17 | H17A | 105.7° | 109.5° |
| C17 | C1 | C20 | 85.6° | 109.5° |
| C17 | C1 | O3 | 93.4° | 109.5° |
| C17 | C1 | C18 | 91.5° | 109.5° |
| C16 | C17 | H17 | 107.3° | 109.5° |
| C16 | C17 | H17A | 105.7° | 109.5° |
| C17 | C16 | C12 | 102.0° | 109.5° |
| C17 | C16 | H16 | 112.0° | 109.5° |
| C17 | C16 | H16A | 113.6° | 109.5° |
| H17 | C17 | H17A | 115.0° | 109.5° |
| C22 | C20 | C21 | 60.2° | 60.0° |
| C22 | C20 | C1 | 115.6° | 117.5° |
| C22 | C20 | H20 | 135.0° | 117.5° |
| C20 | C22 | C21 | 60.4° | 60.0° |
| C20 | C22 | H22 | 130.6° | 117.5° |
| C20 | C22 | H22A | 135.8° | 117.5° |
| C21 | C20 | C1 | 115.4° | 117.5° |
| C21 | C20 | H20 | 135.2° | 117.5° |
| C20 | C21 | C22 | 59.4° | 60.0° |
| C20 | C21 | H21 | 131.3° | 117.5° |
| C20 | C21 | H21A | 136.3° | 117.5° |
| C1 | C20 | H20 | 95.3° | 115.5° |
| C20 | C1 | O3 | 119.6° | 109.5° |
| C20 | C1 | C18 | 122.2° | 109.5° |
| C22 | C21 | H21 | 131.2° | 117.5° |
| C22 | C21 | H21A | 136.3° | 117.5° |
| C21 | C22 | H22 | 130.7° | 117.5° |
| C21 | C22 | H22A | 135.8° | 117.5° |
| H21 | C21 | H21A | 74.3° | 115.6° |
| H22 | C22 | H22A | 75.0° | 115.6° |
| O3 | C1 | C18 | 118.2° | 109.5° |
| C1 | O3 | HO3 | 109.5° | 114.0° |
| C1 | C18 | C19 | 112.0° | 109.5° |
| C1 | C18 | H18 | 108.7° | 109.5° |
| C1 | C18 | H18A | 108.1° | 109.4° |
| C19 | C18 | H18 | 108.6° | 109.5° |
| C19 | C18 | H18A | 108.1° | 109.5° |
| C18 | C19 | C12 | 103.2° | 109.5° |
| C18 | C19 | H19 | 111.7° | 109.5° |
| C18 | C19 | H19A | 113.0° | 109.5° |
| H18 | C18 | H18A | 111.4° | 109.5° |
| C12 | C19 | H19 | 111.6° | 109.5° |
| C12 | C19 | H19A | 113.0° | 109.5° |
| C19 | C12 | C16 | 98.7° | 109.5° |
| C19 | C12 | H12 | 111.2° | 109.4° |
| H19 | C19 | H19A | 104.7° | 109.4° |
| C12 | C16 | H16 | 112.1° | 109.5° |
| C12 | C16 | H16A | 113.6° | 109.4° |
| C16 | C12 | H12 | 120.0° | 109.5° |
| H16 | C16 | H16A | 103.8° | 109.5° |
| H14 | C14 | H14A | 74.5° | 115.6° |
| C2 | C3 | H3 | 121.2° | 119.9° |
| F1 | C9 | F2 | 110.6° | 109.4° |
| F1 | C9 | F3 | 108.7° | 109.5° |
| F2 | C9 | F3 | 112.3° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | N1 | C13 | C11 | 173.6° | 179.7° |
| C12 | N1 | C11 | C5 | 8.6° | 39.5° |
| C12 | N1 | C13 | C15 | 65.6° | 113.4° |
| C12 | N1 | C13 | C14 | 130.1° | 178.0° |
| C12 | N1 | C13 | H13 | 80.9° | 32.3° |
| N1 | C12 | C16 | C17 | 167.5° | 180.0° |
| N1 | C12 | C19 | C18 | 170.1° | 180.0° |
| N1 | C12 | C19 | C16 | 115.3° | 120.0° |
| N1 | C12 | C19 | H12 | 117.6° | 120.0° |
| N1 | C12 | C19 | H19 | 50.1° | 60.0° |
| N1 | C12 | C19 | H19A | 67.6° | 60.0° |
| N1 | C12 | C16 | H12 | 116.9° | 120.0° |
| N1 | C12 | C16 | H16 | 72.5° | 60.0° |
| N1 | C12 | C16 | H16A | 44.8° | 60.0° |
| C12 | N1 | C11 | O2 | 173.4° | 140.5° |
| C13 | N1 | C11 | C5 | 178.2° | 140.3° |
| N1 | C13 | C15 | C14 | 96.2° | 107.5° |
| N1 | C13 | C15 | H13 | 132.8° | 145.0° |
| N1 | C13 | C14 | H13 | 128.1° | 145.0° |
| N1 | C13 | C15 | H15 | 23.7° | 0.1° |
| N1 | C13 | C15 | H15A | 137.0° | 145.0° |
| C13 | N1 | C12 | C19 | 72.2° | 161.4° |
| C13 | N1 | C12 | C16 | 38.0° | 41.4° |
| C13 | N1 | C12 | H12 | 165.7° | 78.7° |
| N1 | C13 | C14 | H14 | 128.0° | 145.1° |
| N1 | C13 | C14 | H14A | 14.8° | 0.0° |
| C13 | N1 | C11 | O2 | 0.1° | 39.7° |
| N1 | C11 | C5 | C4 | 89.4° | 109.0° |
| N1 | C11 | C5 | O2 | 178.1° | 180.0° |
| N1 | C11 | C5 | C6 | 95.3° | 71.0° |
| C11 | N1 | C13 | C15 | 120.7° | 66.3° |
| C11 | N1 | C13 | C14 | 56.3° | 2.3° |
| C11 | N1 | C13 | H13 | 92.7° | 148.0° |
| C11 | N1 | C12 | C19 | 114.7° | 18.3° |
| C11 | N1 | C12 | C16 | 135.2° | 138.3° |
| C11 | N1 | C12 | H12 | 7.5° | 101.6° |
| C3 | C4 | C5 | H4 | 180.0° | 179.7° |
| C3 | C4 | C5 | C11 | 176.5° | 179.7° |
| C3 | C4 | C5 | C6 | 1.2° | 0.3° |
| C4 | C3 | C2 | C7 | 0.9° | 0.6° |
| C4 | C3 | C2 | C8 | 177.4° | 180.0° |
| C4 | C3 | C2 | H3 | 180.0° | 179.5° |
| C4 | C5 | C11 | C6 | 175.3° | 180.0° |
| C4 | C5 | C6 | C7 | 1.8° | 0.0° |
| C4 | C5 | C6 | H6 | 178.2° | 179.9° |
| C4 | C5 | C11 | O2 | 88.7° | 71.0° |
| C5 | C4 | C3 | C2 | 0.1° | 0.6° |
| C5 | C4 | C3 | H3 | 179.9° | 180.0° |
| H4 | C4 | C5 | C11 | 3.4° | 0.1° |
| H4 | C4 | C5 | C6 | 178.8° | 179.9° |
| H4 | C4 | C3 | C2 | 179.9° | 179.8° |
| H4 | C4 | C3 | H3 | 0.1° | 0.3° |
| C11 | C5 | C6 | C7 | 176.9° | 180.0° |
| C11 | C5 | C6 | H6 | 3.1° | 0.0° |
| C5 | C6 | C7 | H6 | 180.0° | 179.9° |
| C5 | C6 | C7 | C2 | 1.1° | 0.0° |
| C5 | C6 | C7 | H7 | 178.9° | 179.9° |
| C6 | C5 | C11 | O2 | 86.6° | 109.0° |
| C6 | C7 | C2 | H7 | 180.0° | 179.9° |
| C6 | C7 | C2 | C8 | 178.0° | 179.7° |
| C6 | C7 | C2 | C3 | 0.3° | 0.3° |
| H6 | C6 | C7 | C2 | 178.9° | 179.9° |
| H6 | C6 | C7 | H7 | 1.1° | 0.0° |
| C7 | C2 | C8 | C9 | 83.4° | 89.4° |
| C7 | C2 | C8 | O1 | 160.2° | 150.6° |
| C7 | C2 | C8 | C3 | 178.3° | 179.4° |
| C7 | C2 | C8 | C10 | 31.8° | 30.6° |
| C7 | C2 | C3 | H3 | 179.2° | 180.0° |
| H7 | C7 | C2 | C8 | 2.0° | 0.4° |
| H7 | C7 | C2 | C3 | 179.7° | 179.8° |
| C9 | C8 | O1 | C2 | 116.9° | 120.0° |
| C9 | C8 | O1 | C10 | 117.0° | 120.0° |
| C9 | C8 | C2 | C10 | 115.2° | 120.0° |
| C9 | C8 | C10 | H10 | 3.2° | 60.1° |
| C9 | C8 | C10 | H10A | 116.8° | 60.0° |
| C9 | C8 | C10 | H10B | 123.2° | 180.0° |
| C9 | C8 | C2 | C3 | 94.9° | 90.0° |
| C8 | C9 | F1 | F2 | 114.5° | 120.0° |
| C8 | C9 | F1 | F3 | 121.9° | 120.1° |
| C8 | C9 | F2 | F3 | 118.2° | 120.0° |
| C9 | C8 | O1 | HO1 | 170.5° | 60.0° |
| O1 | C8 | C2 | C10 | 128.5° | 120.0° |
| O1 | C8 | C10 | H10 | 121.3° | 180.0° |
| O1 | C8 | C10 | H10A | 1.3° | 60.0° |
| O1 | C8 | C10 | H10B | 118.7° | 60.1° |
| O1 | C8 | C2 | C3 | 21.5° | 30.0° |
| O1 | C8 | C9 | F1 | 72.3° | 60.0° |
| O1 | C8 | C9 | F2 | 46.7° | 180.0° |
| O1 | C8 | C9 | F3 | 166.6° | 60.0° |
| C2 | C8 | C10 | H10 | 113.7° | 60.0° |
| C2 | C8 | C10 | H10A | 126.3° | 180.0° |
| C2 | C8 | C10 | H10B | 6.3° | 59.9° |
| C8 | C2 | C3 | H3 | 2.6° | 0.6° |
| C2 | C8 | C9 | F1 | 45.3° | 180.0° |
| C2 | C8 | C9 | F2 | 164.3° | 60.0° |
| C2 | C8 | C9 | F3 | 75.9° | 60.0° |
| C2 | C8 | O1 | HO1 | 72.6° | 60.0° |
| C8 | C10 | H10 | H10A | 120.0° | 120.0° |
| C8 | C10 | H10 | H10B | 120.0° | 119.9° |
| C8 | C10 | H10A | H10B | 120.0° | 120.0° |
| C10 | C8 | C2 | C3 | 150.0° | 150.0° |
| C10 | C8 | C9 | F1 | 164.3° | 59.9° |
| C10 | C8 | C9 | F2 | 76.7° | 60.0° |
| C10 | C8 | C9 | F3 | 43.2° | 180.0° |
| C10 | C8 | O1 | HO1 | 53.6° | 180.0° |
| H10 | C10 | H10A | H10B | 120.0° | 120.0° |
| C15 | C13 | C14 | H13 | 119.9° | 107.5° |
| C13 | C15 | C14 | H15 | 120.0° | 107.5° |
| C13 | C15 | C14 | H15A | 126.8° | 107.5° |
| C13 | C15 | H15 | H15A | 138.2° | 145.7° |
| C13 | C15 | C14 | H14 | 120.0° | 107.5° |
| C13 | C15 | C14 | H14A | 126.7° | 107.5° |
| C13 | C14 | H14 | H14A | 138.7° | 145.7° |
| H13 | C13 | C15 | H15 | 109.1° | 144.9° |
| H13 | C13 | C15 | H15A | 4.2° | 0.1° |
| H13 | C13 | C14 | H14 | 0.1° | 0.0° |
| H13 | C13 | C14 | H14A | 113.4° | 145.0° |
| C14 | C15 | H15 | H15A | 138.2° | 145.7° |
| C15 | C14 | H14 | H14A | 138.7° | 145.7° |
| H15 | C15 | C14 | H14 | 120.0° | 145.0° |
| H15 | C15 | C14 | H14A | 6.7° | 0.0° |
| H15A | C15 | C14 | H14 | 6.8° | 0.0° |
| H15A | C15 | C14 | H14A | 106.6° | 145.0° |
| C1 | C17 | C16 | H17 | 120.0° | 120.0° |
| C1 | C17 | C16 | H17A | 116.9° | 120.0° |
| C1 | C17 | H17 | H17A | 117.2° | 120.0° |
| C17 | C1 | C20 | C22 | 164.2° | 106.3° |
| C17 | C1 | C20 | C21 | 96.7° | 174.9° |
| C17 | C1 | C20 | O3 | 91.4° | 120.0° |
| C17 | C1 | C20 | C18 | 89.0° | 120.0° |
| C17 | C1 | C20 | H20 | 49.6° | 39.4° |
| C17 | C1 | O3 | C18 | 93.6° | 120.0° |
| C17 | C1 | C18 | C19 | 65.4° | 60.0° |
| C17 | C1 | C18 | H18 | 54.7° | 60.0° |
| C17 | C1 | C18 | H18A | 175.7° | 180.0° |
| C17 | C1 | O3 | HO3 | 2.5° | 174.8° |
| C1 | C17 | C16 | C12 | 75.1° | 60.0° |
| C1 | C17 | C16 | H16 | 44.9° | 60.0° |
| C1 | C17 | C16 | H16A | 162.2° | 180.0° |
| C16 | C17 | H17 | H17A | 117.2° | 120.0° |
| C16 | C17 | C1 | C20 | 172.6° | 180.0° |
| C16 | C17 | C1 | O3 | 53.1° | 60.0° |
| C16 | C17 | C1 | C18 | 65.3° | 60.0° |
| C17 | C16 | C12 | C19 | 70.1° | 60.0° |
| C17 | C16 | C12 | H16 | 120.0° | 120.0° |
| C17 | C16 | C12 | H16A | 122.7° | 120.0° |
| C17 | C16 | H16 | H16A | 123.1° | 120.0° |
| C17 | C16 | C12 | H12 | 50.7° | 60.0° |
| H17 | C17 | C1 | C20 | 52.6° | 60.0° |
| H17 | C17 | C1 | O3 | 66.9° | 60.0° |
| H17 | C17 | C1 | C18 | 174.7° | 180.0° |
| H17 | C17 | C16 | C12 | 164.9° | 180.0° |
| H17 | C17 | C16 | H16 | 75.1° | 60.0° |
| H17 | C17 | C16 | H16A | 42.2° | 60.0° |
| H17A | C17 | C1 | C20 | 70.6° | 60.0° |
| H17A | C17 | C1 | O3 | 170.0° | 180.0° |
| H17A | C17 | C1 | C18 | 51.6° | 60.0° |
| H17A | C17 | C16 | C12 | 41.8° | 60.0° |
| H17A | C17 | C16 | H16 | 161.8° | 180.0° |
| H17A | C17 | C16 | H16A | 80.9° | 60.0° |
| C22 | C20 | C21 | C1 | 106.2° | 107.5° |
| C22 | C20 | C21 | H20 | 125.4° | 107.5° |
| C22 | C20 | C1 | H20 | 146.2° | 145.6° |
| C20 | C22 | C21 | H22 | 120.0° | 107.5° |
| C20 | C22 | C21 | H22A | 126.7° | 107.5° |
| C20 | C22 | C21 | H21 | 120.0° | 107.4° |
| C20 | C22 | C21 | H21A | 126.6° | 107.4° |
| C20 | C22 | H22 | H22A | 138.5° | 145.8° |
| C22 | C20 | C1 | O3 | 72.8° | 133.7° |
| C22 | C20 | C1 | C18 | 106.8° | 13.7° |
| C21 | C20 | C1 | H20 | 146.3° | 145.7° |
| C20 | C21 | H21 | H21A | 138.8° | 145.6° |
| C21 | C20 | C1 | O3 | 5.4° | 65.1° |
| C21 | C20 | C1 | C18 | 174.3° | 54.9° |
| C1 | C20 | C21 | H21 | 133.8° | 145.0° |
| C1 | C20 | C21 | H21A | 20.4° | 0.0° |
| C1 | C20 | C22 | H22 | 14.2° | 0.1° |
| C1 | C20 | C22 | H22A | 127.4° | 145.0° |
| C20 | C1 | O3 | C18 | 179.6° | 120.0° |
| C20 | C1 | C18 | C19 | 151.1° | 180.0° |
| C20 | C1 | C18 | H18 | 31.0° | 60.0° |
| C20 | C1 | C18 | H18A | 90.0° | 60.0° |
| C20 | C1 | O3 | HO3 | 89.3° | 65.2° |
| H20 | C20 | C21 | H21 | 5.4° | 0.1° |
| H20 | C20 | C21 | H21A | 108.0° | 145.0° |
| H20 | C20 | C22 | H22 | 114.3° | 145.0° |
| H20 | C20 | C22 | H22A | 1.1° | 0.1° |
| H20 | C20 | C1 | O3 | 140.9° | 80.6° |
| H20 | C20 | C1 | C18 | 39.4° | 159.4° |
| C22 | C21 | H21 | H21A | 138.8° | 145.8° |
| C21 | C22 | H22 | H22A | 138.5° | 145.6° |
| H21 | C21 | C22 | H22 | 120.0° | 145.0° |
| H21 | C21 | C22 | H22A | 6.7° | 0.1° |
| H21A | C21 | C22 | H22 | 6.7° | 0.1° |
| H21A | C21 | C22 | H22A | 106.6° | 145.1° |
| O3 | C1 | C18 | C19 | 29.3° | 60.0° |
| O3 | C1 | C18 | H18 | 149.3° | 180.0° |
| O3 | C1 | C18 | H18A | 89.6° | 60.0° |
| C1 | C18 | C19 | H18 | 120.0° | 120.1° |
| C1 | C18 | C19 | H18A | 118.9° | 120.0° |
| C1 | C18 | H18 | H18A | 119.0° | 120.0° |
| C1 | C18 | C19 | C12 | 80.4° | 60.0° |
| C1 | C18 | C19 | H19 | 159.6° | 180.0° |
| C1 | C18 | C19 | H19A | 41.9° | 60.0° |
| C18 | C1 | O3 | HO3 | 91.0° | 54.8° |
| C19 | C18 | H18 | H18A | 119.0° | 120.0° |
| C18 | C19 | C12 | H19 | 120.0° | 120.0° |
| C18 | C19 | C12 | H19A | 122.3° | 120.0° |
| C18 | C19 | H19 | H19A | 122.6° | 120.0° |
| C18 | C19 | C12 | C16 | 74.5° | 60.0° |
| C18 | C19 | C12 | H12 | 52.5° | 60.0° |
| H18 | C18 | C19 | C12 | 39.6° | 60.0° |
| H18 | C18 | C19 | H19 | 80.4° | 60.0° |
| H18 | C18 | C19 | H19A | 161.9° | 180.0° |
| H18A | C18 | C19 | C12 | 160.7° | 180.0° |
| H18A | C18 | C19 | H19 | 40.7° | 60.0° |
| H18A | C18 | C19 | H19A | 77.0° | 60.0° |
| C12 | C19 | H19 | H19A | 122.5° | 120.0° |
| C19 | C12 | C16 | H12 | 120.8° | 120.0° |
| C19 | C12 | C16 | H16 | 49.9° | 60.0° |
| C19 | C12 | C16 | H16A | 167.2° | 180.0° |
| H19 | C19 | C12 | C16 | 165.5° | 180.0° |
| H19 | C19 | C12 | H12 | 67.5° | 60.0° |
| H19A | C19 | C12 | C16 | 47.8° | 60.0° |
| H19A | C19 | C12 | H12 | 174.9° | 180.0° |
| C12 | C16 | H16 | H16A | 123.0° | 120.0° |
| H16 | C16 | C12 | H12 | 170.7° | 180.0° |
| H16A | C16 | C12 | H12 | 72.0° | 60.0° |
| F1 | C9 | F2 | F3 | 121.5° | 120.0° |
