X0R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| BR | C28 | sing | 1.89Å | 1.92Å | |
| C28 | C27 | sing | 1.38Å | 1.41Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.40Å | Aromatic |
| C27 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C25 | C24 | sing | 1.51Å | 1.53Å | |
| C24 | S23 | sing | 1.81Å | 1.76Å | |
| S23 | C22 | sing | 1.81Å | 1.76Å | |
| C22 | C20 | sing | 1.53Å | 1.52Å | |
| C20 | C21 | sing | 1.51Å | 1.49Å | |
| C20 | N19 | sing | 1.46Å | 1.46Å | |
| C21 | O2 | doub | 1.21Å | 1.25Å | |
| C21 | O1 | sing | 1.34Å | 1.25Å | |
| N19 | C19 | sing | 1.35Å | 1.34Å | |
| C19 | O19 | doub | 1.22Å | 1.22Å | |
| C19 | N15 | sing | 1.35Å | 1.35Å | |
| N15 | C16 | sing | 1.47Å | 1.46Å | |
| N15 | C15 | sing | 1.35Å | 1.34Å | |
| C16 | C17 | sing | 1.53Å | 1.51Å | |
| C17 | C18 | sing | 1.53Å | 1.51Å | |
| C15 | O15 | doub | 1.22Å | 1.21Å | |
| C15 | C11 | sing | 1.48Å | 1.49Å | |
| C11 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C11 | C12 | doub | 1.40Å | 1.39Å | Aromatic |
| C10 | C9 | doub | 1.40Å | 1.41Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C9 | sing | 1.40Å | 1.40Å | Aromatic |
| C9 | C8 | sing | 1.43Å | 1.31Å | |
| C8 | C7 | trip | 1.17Å | 1.19Å | |
| C7 | C1 | sing | 1.43Å | 1.31Å | |
| C1 | C6 | sing | 1.40Å | 1.40Å | Aromatic |
| C1 | C2 | doub | 1.40Å | 1.40Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | F4 | sing | 1.35Å | 1.35Å | |
| C4 | C3 | doub | 1.39Å | 1.37Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | F2 | sing | 1.35Å | 1.34Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| N19 | H19 | sing | 0.97Å | 1.00Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| BR | C28 | C27 | 120.9° | 120.0° |
| BR | C28 | C29 | 120.3° | 120.0° |
| C27 | C28 | C29 | 118.9° | 120.0° |
| C28 | C27 | C26 | 121.1° | 120.0° |
| C28 | C27 | H27 | 119.5° | 120.0° |
| C28 | C29 | C30 | 119.7° | 120.0° |
| C28 | C29 | H29 | 120.2° | 120.0° |
| C27 | C26 | C25 | 120.0° | 120.0° |
| C26 | C27 | H27 | 119.4° | 120.0° |
| C27 | C26 | H26 | 120.0° | 120.0° |
| C26 | C25 | C30 | 119.1° | 120.0° |
| C26 | C25 | C24 | 120.6° | 120.0° |
| C25 | C26 | H26 | 120.0° | 120.0° |
| C29 | C30 | C25 | 121.3° | 120.0° |
| C30 | C29 | H29 | 120.2° | 120.0° |
| C29 | C30 | H30 | 119.4° | 120.0° |
| C30 | C25 | C24 | 120.4° | 120.0° |
| C25 | C30 | H30 | 119.4° | 120.0° |
| C25 | C24 | S23 | 113.8° | 109.5° |
| C25 | C24 | H241 | 108.4° | 109.5° |
| C25 | C24 | H242 | 108.4° | 109.4° |
| C24 | S23 | C22 | 99.7° | 103.0° |
| S23 | C24 | H241 | 108.4° | 109.5° |
| S23 | C24 | H242 | 108.4° | 109.5° |
| S23 | C22 | C20 | 108.9° | 109.5° |
| S23 | C22 | H221 | 109.6° | 109.4° |
| S23 | C22 | H222 | 109.6° | 109.5° |
| C22 | C20 | C21 | 105.8° | 109.5° |
| C22 | C20 | N19 | 112.3° | 109.5° |
| C20 | C22 | H221 | 109.6° | 109.5° |
| C20 | C22 | H222 | 109.6° | 109.4° |
| C22 | C20 | H20 | 108.4° | 109.4° |
| C21 | C20 | N19 | 112.0° | 109.5° |
| C20 | C21 | O2 | 117.8° | 120.0° |
| C20 | C21 | O1 | 117.8° | 120.0° |
| C21 | C20 | H20 | 108.9° | 109.5° |
| C20 | N19 | C19 | 121.5° | 120.0° |
| N19 | C20 | H20 | 109.2° | 109.4° |
| C20 | N19 | H19 | 119.3° | 120.0° |
| O2 | C21 | O1 | 124.4° | 120.0° |
| C21 | O1 | H1 | 109.5° | 117.0° |
| N19 | C19 | O19 | 118.6° | 120.0° |
| N19 | C19 | N15 | 120.7° | 120.0° |
| C19 | N19 | H19 | 119.3° | 120.0° |
| O19 | C19 | N15 | 120.7° | 120.0° |
| C19 | N15 | C16 | 119.5° | 120.0° |
| C19 | N15 | C15 | 117.5° | 120.0° |
| C16 | N15 | C15 | 122.6° | 120.0° |
| N15 | C16 | C17 | 106.4° | 109.5° |
| N15 | C16 | H161 | 110.2° | 109.5° |
| N15 | C16 | H162 | 110.2° | 109.5° |
| N15 | C15 | O15 | 121.7° | 120.0° |
| N15 | C15 | C11 | 121.7° | 120.0° |
| C16 | C17 | C18 | 108.9° | 109.5° |
| C17 | C16 | H161 | 110.2° | 109.4° |
| C17 | C16 | H162 | 110.3° | 109.5° |
| C16 | C17 | H171 | 109.6° | 109.4° |
| C16 | C17 | H172 | 109.6° | 109.5° |
| C18 | C17 | H171 | 109.6° | 109.5° |
| C18 | C17 | H172 | 109.6° | 109.5° |
| C17 | C18 | H181 | 109.5° | 109.5° |
| C17 | C18 | H182 | 109.5° | 109.5° |
| C17 | C18 | H183 | 109.5° | 109.5° |
| O15 | C15 | C11 | 116.6° | 120.0° |
| C15 | C11 | C10 | 122.6° | 120.0° |
| C15 | C11 | C12 | 117.4° | 120.1° |
| C10 | C11 | C12 | 120.1° | 119.9° |
| C11 | C10 | C9 | 120.3° | 119.7° |
| C11 | C10 | H10 | 119.8° | 120.2° |
| C11 | C12 | C13 | 119.9° | 120.2° |
| C11 | C12 | H12 | 120.1° | 120.0° |
| C10 | C9 | C14 | 118.9° | 119.8° |
| C10 | C9 | C8 | 122.5° | 120.1° |
| C9 | C10 | H10 | 119.9° | 120.1° |
| C12 | C13 | C14 | 120.5° | 120.3° |
| C13 | C12 | H12 | 120.0° | 119.9° |
| C12 | C13 | H13 | 119.7° | 119.8° |
| C13 | C14 | C9 | 120.2° | 120.1° |
| C14 | C13 | H13 | 119.8° | 119.8° |
| C13 | C14 | H14 | 119.9° | 119.9° |
| C14 | C9 | C8 | 118.6° | 120.1° |
| C9 | C14 | H14 | 119.9° | 119.9° |
| C9 | C8 | C7 | 177.3° | 180.0° |
| C8 | C7 | C1 | 179.2° | 180.0° |
| C7 | C1 | C6 | 119.7° | 120.1° |
| C7 | C1 | C2 | 122.3° | 120.2° |
| C6 | C1 | C2 | 118.0° | 119.7° |
| C1 | C6 | C5 | 119.4° | 119.9° |
| C1 | C6 | H6 | 120.3° | 120.1° |
| C1 | C2 | C3 | 121.8° | 119.8° |
| C1 | C2 | F2 | 121.8° | 120.1° |
| C6 | C5 | C4 | 121.6° | 120.2° |
| C5 | C6 | H6 | 120.3° | 120.1° |
| C6 | C5 | H5 | 119.2° | 119.9° |
| C5 | C4 | F4 | 121.8° | 119.9° |
| C5 | C4 | C3 | 118.9° | 120.3° |
| C4 | C5 | H5 | 119.2° | 119.9° |
| F4 | C4 | C3 | 119.3° | 119.9° |
| C4 | C3 | C2 | 120.3° | 120.1° |
| C4 | C3 | H3 | 119.8° | 119.9° |
| C3 | C2 | F2 | 116.4° | 120.1° |
| C2 | C3 | H3 | 119.8° | 120.0° |
| H241 | C24 | H242 | 109.5° | 109.5° |
| H221 | C22 | H222 | 109.5° | 109.5° |
| H161 | C16 | H162 | 109.5° | 109.4° |
| H171 | C17 | H172 | 109.5° | 109.5° |
| H181 | C18 | H182 | 109.5° | 109.5° |
| H181 | C18 | H183 | 109.4° | 109.4° |
| H182 | C18 | H183 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| BR | C28 | C27 | C29 | 178.7° | 179.7° |
| BR | C28 | C27 | C26 | 179.3° | 180.0° |
| BR | C28 | C29 | C30 | 180.0° | 180.0° |
| BR | C28 | C27 | H27 | 0.7° | 0.1° |
| BR | C28 | C29 | H29 | 0.0° | 0.1° |
| C28 | C27 | C26 | H27 | 180.0° | 179.9° |
| C28 | C27 | C26 | C25 | 1.6° | 0.0° |
| C27 | C28 | C29 | C30 | 1.2° | 0.3° |
| C27 | C28 | C29 | H29 | 178.7° | 179.6° |
| C28 | C27 | C26 | H26 | 178.4° | 180.0° |
| C29 | C28 | C27 | C26 | 2.0° | 0.3° |
| C28 | C29 | C30 | H29 | 180.0° | 179.9° |
| C28 | C29 | C30 | C25 | 0.1° | 0.1° |
| C29 | C28 | C27 | H27 | 178.0° | 179.8° |
| C28 | C29 | C30 | H30 | 179.9° | 180.0° |
| C27 | C26 | C25 | H26 | 180.0° | 180.0° |
| C27 | C26 | C25 | C30 | 0.4° | 0.3° |
| C27 | C26 | C25 | C24 | 179.5° | 180.0° |
| C26 | C25 | C30 | C29 | 0.3° | 0.3° |
| C26 | C25 | C30 | C24 | 179.1° | 179.7° |
| C26 | C25 | C24 | S23 | 110.4° | 90.0° |
| C25 | C26 | C27 | H27 | 178.4° | 179.9° |
| C26 | C25 | C30 | H30 | 179.7° | 179.7° |
| C26 | C25 | C24 | H241 | 10.3° | 150.0° |
| C26 | C25 | C24 | H242 | 129.0° | 30.0° |
| C29 | C30 | C25 | H30 | 180.0° | 179.9° |
| C29 | C30 | C25 | C24 | 178.8° | 180.0° |
| C30 | C25 | C24 | S23 | 70.5° | 89.7° |
| C25 | C30 | C29 | H29 | 179.8° | 179.9° |
| C30 | C25 | C26 | H26 | 179.6° | 179.7° |
| C30 | C25 | C24 | H241 | 168.8° | 30.3° |
| C30 | C25 | C24 | H242 | 50.1° | 150.3° |
| C25 | C24 | S23 | H241 | 120.7° | 120.0° |
| C25 | C24 | S23 | H242 | 120.6° | 120.0° |
| C25 | C24 | S23 | C22 | 80.5° | 180.0° |
| C24 | C25 | C26 | H26 | 0.5° | 0.0° |
| C24 | C25 | C30 | H30 | 1.2° | 0.0° |
| C25 | C24 | H241 | H242 | 118.1° | 120.0° |
| C24 | S23 | C22 | C20 | 85.0° | 180.0° |
| S23 | C24 | H241 | H242 | 118.0° | 120.0° |
| C24 | S23 | C22 | H221 | 155.1° | 60.0° |
| C24 | S23 | C22 | H222 | 34.9° | 60.0° |
| S23 | C22 | C20 | H221 | 119.9° | 120.0° |
| S23 | C22 | C20 | H222 | 119.9° | 120.0° |
| S23 | C22 | C20 | C21 | 126.3° | 180.0° |
| S23 | C22 | C20 | N19 | 111.1° | 60.0° |
| C22 | S23 | C24 | H241 | 40.2° | 60.0° |
| C22 | S23 | C24 | H242 | 158.9° | 60.0° |
| S23 | C22 | H221 | H222 | 120.3° | 120.0° |
| S23 | C22 | C20 | H20 | 9.7° | 60.0° |
| C22 | C20 | C21 | N19 | 122.7° | 120.0° |
| C22 | C20 | C21 | H20 | 116.4° | 120.0° |
| C22 | C20 | N19 | H20 | 120.3° | 119.9° |
| C22 | C20 | C21 | O2 | 91.1° | 120.0° |
| C22 | C20 | C21 | O1 | 89.2° | 59.9° |
| C22 | C20 | N19 | C19 | 158.6° | 155.0° |
| C20 | C22 | H221 | H222 | 120.3° | 120.0° |
| C22 | C20 | N19 | H19 | 21.4° | 25.1° |
| C21 | C20 | N19 | H20 | 120.7° | 120.0° |
| C20 | C21 | O2 | O1 | 179.7° | 179.9° |
| C21 | C20 | N19 | C19 | 82.4° | 84.9° |
| C21 | C20 | C22 | H221 | 6.4° | 60.0° |
| C21 | C20 | C22 | H222 | 113.8° | 60.1° |
| C21 | C20 | N19 | H19 | 97.6° | 95.0° |
| C20 | C21 | O1 | H1 | 179.7° | 180.0° |
| N19 | C20 | C21 | O2 | 31.6° | 0.1° |
| N19 | C20 | C21 | O1 | 148.1° | 180.0° |
| C20 | N19 | C19 | H19 | 180.0° | 179.9° |
| C20 | N19 | C19 | O19 | 0.2° | 0.1° |
| C20 | N19 | C19 | N15 | 179.9° | 180.0° |
| N19 | C20 | C22 | H221 | 129.0° | 179.9° |
| N19 | C20 | C22 | H222 | 8.8° | 60.0° |
| O2 | C21 | C20 | H20 | 152.5° | 120.1° |
| O2 | C21 | O1 | H1 | 0.0° | 0.1° |
| O1 | C21 | C20 | H20 | 27.2° | 60.0° |
| N19 | C19 | O19 | N15 | 179.9° | 180.0° |
| N19 | C19 | N15 | C16 | 173.2° | 0.0° |
| N19 | C19 | N15 | C15 | 0.4° | 180.0° |
| C19 | N19 | C20 | H20 | 38.3° | 35.1° |
| O19 | C19 | N15 | C16 | 6.7° | 180.0° |
| O19 | C19 | N15 | C15 | 179.5° | 0.0° |
| O19 | C19 | N19 | H19 | 179.8° | 180.0° |
| C19 | N15 | C16 | C15 | 172.5° | 180.0° |
| C19 | N15 | C16 | C17 | 82.2° | 74.0° |
| C19 | N15 | C15 | O15 | 7.4° | 4.1° |
| C19 | N15 | C15 | C11 | 169.5° | 175.9° |
| N15 | C19 | N19 | H19 | 0.1° | 0.1° |
| C19 | N15 | C16 | H161 | 158.3° | 166.1° |
| C19 | N15 | C16 | H162 | 37.4° | 46.1° |
| N15 | C16 | C17 | H161 | 119.5° | 120.0° |
| N15 | C16 | C17 | H162 | 119.5° | 120.1° |
| N15 | C16 | C17 | C18 | 166.3° | 173.9° |
| C16 | N15 | C15 | O15 | 180.0° | 175.9° |
| C16 | N15 | C15 | C11 | 3.1° | 4.1° |
| N15 | C16 | H161 | H162 | 121.4° | 120.0° |
| N15 | C16 | C17 | H171 | 46.4° | 66.1° |
| N15 | C16 | C17 | H172 | 73.8° | 53.9° |
| C15 | N15 | C16 | C17 | 90.3° | 106.0° |
| N15 | C15 | O15 | C11 | 177.0° | 180.0° |
| N15 | C15 | C11 | C10 | 76.6° | 140.6° |
| N15 | C15 | C11 | C12 | 103.6° | 39.2° |
| C15 | N15 | C16 | H161 | 29.2° | 13.9° |
| C15 | N15 | C16 | H162 | 150.2° | 133.9° |
| C16 | C17 | C18 | H171 | 119.9° | 120.0° |
| C16 | C17 | C18 | H172 | 119.9° | 120.0° |
| C17 | C16 | H161 | H162 | 121.4° | 120.0° |
| C16 | C17 | H171 | H172 | 120.2° | 120.0° |
| C16 | C17 | C18 | H181 | 180.0° | 179.9° |
| C16 | C17 | C18 | H182 | 60.0° | 60.0° |
| C16 | C17 | C18 | H183 | 60.0° | 60.0° |
| C18 | C17 | C16 | H161 | 74.2° | 53.9° |
| C18 | C17 | C16 | H162 | 46.8° | 66.0° |
| C18 | C17 | H171 | H172 | 120.2° | 120.0° |
| C17 | C18 | H181 | H182 | 120.0° | 120.1° |
| C17 | C18 | H181 | H183 | 120.0° | 119.9° |
| C17 | C18 | H182 | H183 | 120.0° | 120.0° |
| O15 | C15 | C11 | C10 | 106.4° | 39.4° |
| O15 | C15 | C11 | C12 | 73.4° | 140.9° |
| C15 | C11 | C10 | C12 | 179.8° | 179.7° |
| C15 | C11 | C10 | C9 | 180.0° | 180.0° |
| C15 | C11 | C12 | C13 | 179.6° | 180.0° |
| C15 | C11 | C10 | H10 | 0.0° | 0.0° |
| C15 | C11 | C12 | H12 | 0.4° | 0.0° |
| C11 | C10 | C9 | H10 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.6° | 0.3° |
| C11 | C10 | C9 | C14 | 0.2° | 0.0° |
| C11 | C10 | C9 | C8 | 179.4° | 180.0° |
| C10 | C11 | C12 | H12 | 179.4° | 179.7° |
| C12 | C11 | C10 | C9 | 0.2° | 0.3° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 1.0° | 0.0° |
| C12 | C11 | C10 | H10 | 179.8° | 179.8° |
| C11 | C12 | C13 | H13 | 179.0° | 180.0° |
| C10 | C9 | C14 | C13 | 0.5° | 0.3° |
| C10 | C9 | C14 | C8 | 179.6° | 180.0° |
| C10 | C9 | C8 | C7 | 7.7° | 50.1° |
| C10 | C9 | C14 | H14 | 179.5° | 180.0° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C9 | 0.9° | 0.2° |
| C12 | C13 | C14 | H14 | 179.1° | 179.9° |
| C13 | C14 | C9 | H14 | 180.0° | 179.7° |
| C13 | C14 | C9 | C8 | 179.0° | 179.7° |
| C14 | C13 | C12 | H12 | 179.0° | 180.0° |
| C14 | C9 | C8 | C7 | 172.8° | 129.9° |
| C14 | C9 | C10 | H10 | 179.8° | 180.0° |
| C9 | C14 | C13 | H13 | 179.1° | 179.7° |
| C9 | C8 | C7 | C1 | 129.3° | 107.8° |
| C8 | C9 | C10 | H10 | 0.6° | 0.0° |
| C8 | C9 | C14 | H14 | 1.0° | 0.0° |
| C8 | C7 | C1 | C6 | 112.6° | 122.3° |
| C8 | C7 | C1 | C2 | 67.0° | 57.3° |
| C7 | C1 | C6 | C2 | 179.7° | 179.7° |
| C7 | C1 | C6 | C5 | 179.6° | 180.0° |
| C7 | C1 | C2 | C3 | 179.5° | 179.7° |
| C7 | C1 | C2 | F2 | 0.5° | 0.0° |
| C7 | C1 | C6 | H6 | 0.5° | 0.0° |
| C1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C1 | C6 | C5 | C4 | 0.3° | 0.0° |
| C6 | C1 | C2 | C3 | 0.1° | 0.6° |
| C6 | C1 | C2 | F2 | 179.1° | 179.7° |
| C1 | C6 | C5 | H5 | 179.7° | 180.0° |
| C2 | C1 | C6 | C5 | 0.1° | 0.3° |
| C1 | C2 | C3 | C4 | 0.3° | 0.5° |
| C1 | C2 | C3 | F2 | 179.0° | 179.8° |
| C2 | C1 | C6 | H6 | 179.9° | 179.7° |
| C1 | C2 | C3 | H3 | 179.7° | 179.7° |
| C6 | C5 | C4 | H5 | 180.0° | 180.0° |
| C6 | C5 | C4 | F4 | 179.6° | 180.0° |
| C6 | C5 | C4 | C3 | 0.4° | 0.1° |
| C5 | C4 | F4 | C3 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 0.4° | 0.2° |
| C4 | C5 | C6 | H6 | 179.7° | 180.0° |
| C5 | C4 | C3 | H3 | 179.6° | 180.0° |
| F4 | C4 | C3 | C2 | 179.6° | 179.7° |
| F4 | C4 | C5 | H5 | 0.4° | 0.1° |
| F4 | C4 | C3 | H3 | 0.4° | 0.1° |
| C4 | C3 | C2 | H3 | 180.0° | 179.8° |
| C4 | C3 | C2 | F2 | 179.3° | 179.7° |
| C3 | C4 | C5 | H5 | 179.6° | 180.0° |
| F2 | C2 | C3 | H3 | 0.7° | 0.1° |
| H27 | C27 | C26 | H26 | 1.6° | 0.1° |
| H29 | C29 | C30 | H30 | 0.1° | 0.1° |
| H221 | C22 | C20 | H20 | 110.2° | 60.0° |
| H222 | C22 | C20 | H20 | 129.6° | 179.9° |
| H20 | C20 | N19 | H19 | 141.8° | 145.0° |
| H161 | C16 | C17 | H171 | 165.9° | 173.9° |
| H161 | C16 | C17 | H172 | 45.7° | 66.1° |
| H162 | C16 | C17 | H171 | 73.2° | 54.0° |
| H162 | C16 | C17 | H172 | 166.7° | 174.0° |
| H171 | C17 | C18 | H181 | 60.1° | 59.9° |
| H171 | C17 | C18 | H182 | 179.9° | 180.0° |
| H171 | C17 | C18 | H183 | 59.9° | 59.9° |
| H172 | C17 | C18 | H181 | 60.1° | 60.1° |
| H172 | C17 | C18 | H182 | 59.9° | 60.0° |
| H172 | C17 | C18 | H183 | 179.9° | 179.9° |
| H181 | C18 | H182 | H183 | 120.0° | 119.9° |
| H12 | C12 | C13 | H13 | 1.0° | 0.0° |
| H13 | C13 | C14 | H14 | 1.0° | 0.0° |
| H6 | C6 | C5 | H5 | 0.3° | 0.0° |
