BQA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| BR | C11 | sing | 1.89Å | 1.86Å | |
| C4 | C5 | sing | 1.53Å | 1.51Å | |
| C4 | C3 | sing | 1.53Å | 1.49Å | |
| C11 | C12 | doub | 1.38Å | 1.37Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.37Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.31Å | Aromatic |
| C5 | C3 | sing | 1.53Å | 1.50Å | |
| C3 | C2 | sing | 1.53Å | 1.55Å | |
| C10 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | C1 | sing | 1.53Å | 1.50Å | |
| C9 | C8 | sing | 1.38Å | 1.46Å | Aromatic |
| C8 | C7 | sing | 1.51Å | 1.50Å | |
| C1 | N | sing | 1.47Å | 1.43Å | |
| C1 | C6 | sing | 1.51Å | 1.47Å | |
| O | C | doub | 1.21Å | 1.25Å | |
| C | N | sing | 1.35Å | 1.36Å | |
| C | C7 | sing | 1.51Å | 1.51Å | |
| C7 | C25 | sing | 1.53Å | 1.55Å | |
| C7 | C14 | sing | 1.53Å | 1.55Å | |
| O2 | C6 | doub | 1.21Å | 1.27Å | |
| C6 | O1 | sing | 1.34Å | 1.36Å | |
| C25 | C24 | sing | 1.53Å | 1.52Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C24 | N1 | sing | 1.47Å | 1.47Å | |
| C15 | N1 | sing | 1.47Å | 1.48Å | |
| N1 | C16 | sing | 1.47Å | 1.48Å | |
| C16 | C17 | sing | 1.51Å | 1.53Å | |
| F | C23 | sing | 1.40Å | 1.34Å | |
| C17 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | C22 | sing | 1.38Å | 1.53Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.51Å | 1.51Å | |
| C23 | F1 | sing | 1.40Å | 1.34Å | |
| C23 | F2 | sing | 1.40Å | 1.34Å | |
| C22 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C21 | H8 | sing | 1.08Å | 1.08Å | |
| C20 | H9 | sing | 1.08Å | 1.08Å | |
| C19 | H10 | sing | 1.08Å | 1.08Å | |
| C18 | H11 | sing | 1.08Å | 1.08Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C24 | H18 | sing | 1.09Å | 1.10Å | |
| C24 | H19 | sing | 1.09Å | 1.10Å | |
| C25 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.08Å | 1.08Å | |
| C12 | H23 | sing | 1.08Å | 1.08Å | |
| N | H24 | sing | 0.97Å | 1.00Å | |
| C1 | H25 | sing | 1.09Å | 1.10Å | |
| O1 | H26 | sing | 0.97Å | 0.95Å | |
| C3 | H27 | sing | 1.09Å | 1.10Å | |
| C5 | H28 | sing | 1.09Å | 1.10Å | |
| C5 | H29 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| BR | C11 | C12 | 111.2° | 120.0° |
| BR | C11 | C10 | 126.8° | 120.0° |
| C5 | C4 | C3 | 59.9° | 60.0° |
| C4 | C5 | C3 | 59.6° | 60.0° |
| C5 | C4 | H4 | 120.0° | 117.5° |
| C5 | C4 | H5 | 120.0° | 117.5° |
| C4 | C5 | H28 | 120.0° | 117.5° |
| C4 | C5 | H29 | 120.1° | 117.5° |
| C4 | C3 | C5 | 60.5° | 60.0° |
| C4 | C3 | C2 | 111.5° | 117.5° |
| C3 | C4 | H4 | 120.0° | 117.5° |
| C3 | C4 | H5 | 120.0° | 117.5° |
| C4 | C3 | H27 | 119.2° | 117.5° |
| C12 | C11 | C10 | 122.0° | 120.0° |
| C11 | C12 | C13 | 124.2° | 119.9° |
| C11 | C12 | H23 | 117.9° | 120.0° |
| C11 | C10 | C9 | 114.3° | 119.9° |
| C11 | C10 | H7 | 122.8° | 120.0° |
| C12 | C13 | C8 | 120.3° | 120.0° |
| C12 | C13 | H22 | 119.9° | 119.9° |
| C13 | C12 | H23 | 117.9° | 120.0° |
| C5 | C3 | C2 | 115.6° | 117.5° |
| C5 | C3 | H27 | 119.1° | 117.5° |
| C3 | C5 | H28 | 120.1° | 117.5° |
| C3 | C5 | H29 | 120.1° | 117.5° |
| C3 | C2 | C1 | 114.4° | 109.4° |
| C3 | C2 | H2 | 108.2° | 109.5° |
| C3 | C2 | H3 | 108.2° | 109.5° |
| C2 | C3 | H27 | 118.0° | 115.6° |
| C10 | C9 | C8 | 124.5° | 120.0° |
| C10 | C9 | H6 | 117.7° | 120.0° |
| C9 | C10 | H7 | 122.9° | 120.1° |
| C13 | C8 | C9 | 114.5° | 120.1° |
| C13 | C8 | C7 | 117.8° | 120.0° |
| C8 | C13 | H22 | 119.8° | 120.1° |
| C2 | C1 | N | 112.9° | 109.5° |
| C2 | C1 | C6 | 103.5° | 109.4° |
| C1 | C2 | H2 | 108.2° | 109.4° |
| C1 | C2 | H3 | 108.2° | 109.4° |
| C2 | C1 | H25 | 108.6° | 109.5° |
| C9 | C8 | C7 | 127.6° | 120.0° |
| C8 | C9 | H6 | 117.8° | 120.0° |
| C8 | C7 | C | 109.8° | 109.6° |
| C8 | C7 | C25 | 107.9° | 109.5° |
| C8 | C7 | C14 | 107.8° | 109.5° |
| N | C1 | C6 | 112.8° | 109.5° |
| C1 | N | C | 122.2° | 120.0° |
| C1 | N | H24 | 118.9° | 119.9° |
| N | C1 | H25 | 109.6° | 109.4° |
| C1 | C6 | O2 | 118.8° | 120.0° |
| C1 | C6 | O1 | 115.3° | 120.0° |
| C6 | C1 | H25 | 109.1° | 109.5° |
| O | C | N | 119.8° | 120.0° |
| O | C | C7 | 120.0° | 120.0° |
| N | C | C7 | 120.1° | 120.0° |
| C | N | H24 | 118.9° | 120.1° |
| C | C7 | C25 | 111.9° | 109.5° |
| C | C7 | C14 | 115.5° | 109.6° |
| C25 | C7 | C14 | 103.5° | 109.2° |
| C7 | C25 | C24 | 114.0° | 109.3° |
| C7 | C25 | H20 | 108.3° | 109.5° |
| C7 | C25 | H21 | 108.3° | 109.5° |
| C7 | C14 | C15 | 115.8° | 109.3° |
| C7 | C14 | H16 | 107.9° | 109.5° |
| C7 | C14 | H17 | 107.9° | 109.5° |
| O2 | C6 | O1 | 125.9° | 120.0° |
| C6 | O1 | H26 | 109.5° | 117.0° |
| C25 | C24 | N1 | 111.9° | 109.5° |
| C25 | C24 | H18 | 108.9° | 109.5° |
| C25 | C24 | H19 | 108.9° | 109.5° |
| C24 | C25 | H20 | 108.4° | 109.5° |
| C24 | C25 | H21 | 108.4° | 109.5° |
| C14 | C15 | N1 | 108.1° | 109.5° |
| C14 | C15 | H14 | 109.8° | 109.5° |
| C14 | C15 | H15 | 109.8° | 109.5° |
| C15 | C14 | H16 | 107.8° | 109.5° |
| C15 | C14 | H17 | 107.9° | 109.5° |
| C24 | N1 | C15 | 118.1° | 111.2° |
| C24 | N1 | C16 | 116.4° | 111.0° |
| N1 | C24 | H18 | 108.9° | 109.5° |
| N1 | C24 | H19 | 108.9° | 109.5° |
| C15 | N1 | C16 | 120.2° | 111.0° |
| N1 | C15 | H14 | 109.8° | 109.5° |
| N1 | C15 | H15 | 109.8° | 109.4° |
| N1 | C16 | C17 | 116.7° | 109.4° |
| N1 | C16 | H12 | 107.6° | 109.4° |
| N1 | C16 | H13 | 107.6° | 109.5° |
| C16 | C17 | C18 | 114.0° | 120.0° |
| C16 | C17 | C22 | 124.7° | 120.0° |
| C17 | C16 | H12 | 107.7° | 109.5° |
| C17 | C16 | H13 | 107.7° | 109.5° |
| F | C23 | C22 | 111.4° | 109.5° |
| F | C23 | F1 | 110.7° | 109.4° |
| F | C23 | F2 | 112.5° | 109.4° |
| C18 | C17 | C22 | 115.6° | 120.0° |
| C17 | C18 | C19 | 120.5° | 120.0° |
| C17 | C18 | H11 | 119.8° | 120.0° |
| C17 | C22 | C23 | 125.0° | 120.0° |
| C17 | C22 | C21 | 118.1° | 120.0° |
| C18 | C19 | C20 | 121.0° | 120.0° |
| C18 | C19 | H10 | 119.5° | 119.9° |
| C19 | C18 | H11 | 119.7° | 120.0° |
| C22 | C23 | F1 | 106.5° | 109.5° |
| C22 | C23 | F2 | 109.4° | 109.5° |
| C23 | C22 | C21 | 116.5° | 120.0° |
| F1 | C23 | F2 | 106.1° | 109.5° |
| C22 | C21 | C20 | 120.3° | 120.0° |
| C22 | C21 | H8 | 119.9° | 120.0° |
| C19 | C20 | C21 | 121.5° | 120.0° |
| C19 | C20 | H9 | 119.3° | 120.0° |
| C20 | C19 | H10 | 119.5° | 120.0° |
| C20 | C21 | H8 | 119.9° | 120.0° |
| C21 | C20 | H9 | 119.3° | 120.0° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| H4 | C4 | H5 | 109.5° | 115.6° |
| H12 | C16 | H13 | 109.5° | 109.5° |
| H14 | C15 | H15 | 109.5° | 109.4° |
| H16 | C14 | H17 | 109.5° | 109.5° |
| H18 | C24 | H19 | 109.5° | 109.4° |
| H20 | C25 | H21 | 109.5° | 109.5° |
| H28 | C5 | H29 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| BR | C11 | C12 | C10 | 179.7° | 180.0° |
| BR | C11 | C12 | C13 | 178.9° | 179.7° |
| BR | C11 | C10 | C9 | 178.1° | 180.0° |
| BR | C11 | C10 | H7 | 1.8° | 0.0° |
| BR | C11 | C12 | H23 | 1.1° | 0.0° |
| C5 | C4 | C3 | H4 | 109.4° | 107.5° |
| C5 | C4 | C3 | H5 | 109.5° | 107.5° |
| C4 | C5 | C3 | H28 | 109.3° | 107.5° |
| C4 | C5 | C3 | H29 | 109.4° | 107.5° |
| C5 | C4 | C3 | C2 | 108.1° | 107.5° |
| C5 | C4 | H4 | H5 | 144.8° | 145.7° |
| C5 | C4 | C3 | H27 | 108.9° | 107.5° |
| C4 | C5 | H28 | H29 | 144.9° | 145.6° |
| C4 | C3 | C2 | H27 | 143.5° | 145.7° |
| C4 | C3 | C2 | C1 | 153.9° | 175.0° |
| C4 | C3 | C2 | H2 | 85.4° | 65.1° |
| C4 | C3 | C2 | H3 | 33.1° | 55.0° |
| C3 | C4 | H4 | H5 | 144.8° | 145.7° |
| C11 | C12 | C13 | H23 | 180.0° | 179.7° |
| C12 | C11 | C10 | C9 | 2.3° | 0.0° |
| C11 | C12 | C13 | C8 | 3.9° | 0.6° |
| C12 | C11 | C10 | H7 | 177.8° | 180.0° |
| C11 | C12 | C13 | H22 | 176.2° | 180.0° |
| C10 | C11 | C12 | C13 | 0.8° | 0.3° |
| C11 | C10 | C9 | H7 | 180.0° | 180.0° |
| C11 | C10 | C9 | C8 | 2.4° | 0.1° |
| C11 | C10 | C9 | H6 | 177.6° | 179.7° |
| C10 | C11 | C12 | H23 | 179.2° | 180.0° |
| C12 | C13 | C8 | H22 | 180.0° | 179.5° |
| C12 | C13 | C8 | C9 | 3.4° | 0.5° |
| C12 | C13 | C8 | C7 | 179.3° | 179.4° |
| C5 | C3 | C2 | H27 | 150.0° | 145.7° |
| C5 | C3 | C2 | C1 | 87.3° | 116.4° |
| C5 | C3 | C2 | H2 | 151.9° | 3.5° |
| C5 | C3 | C2 | H3 | 33.4° | 123.6° |
| C3 | C5 | H28 | H29 | 145.0° | 145.7° |
| C3 | C2 | C1 | H2 | 120.7° | 120.0° |
| C3 | C2 | C1 | H3 | 120.7° | 120.0° |
| C3 | C2 | C1 | N | 58.5° | 65.0° |
| C3 | C2 | C1 | C6 | 179.2° | 175.0° |
| C3 | C2 | H2 | H3 | 117.7° | 120.1° |
| C2 | C3 | C4 | H4 | 142.5° | 0.0° |
| C2 | C3 | C4 | H5 | 1.4° | 145.0° |
| C3 | C2 | C1 | H25 | 63.3° | 55.0° |
| C2 | C3 | C5 | H28 | 8.1° | 0.0° |
| C2 | C3 | C5 | H29 | 149.4° | 145.1° |
| C10 | C9 | C8 | C13 | 0.3° | 0.2° |
| C10 | C9 | C8 | H6 | 180.0° | 179.8° |
| C10 | C9 | C8 | C7 | 177.2° | 179.8° |
| C13 | C8 | C9 | C7 | 176.9° | 179.9° |
| C13 | C8 | C7 | C | 57.5° | 65.1° |
| C13 | C8 | C7 | C25 | 64.6° | 55.0° |
| C13 | C8 | C7 | C14 | 175.8° | 174.7° |
| C13 | C8 | C9 | H6 | 179.7° | 180.0° |
| C8 | C13 | C12 | H23 | 176.2° | 179.8° |
| C2 | C1 | N | C6 | 116.9° | 120.0° |
| C2 | C1 | N | H25 | 121.3° | 120.0° |
| C2 | C1 | C6 | H25 | 115.5° | 120.0° |
| C2 | C1 | N | C | 118.4° | 155.0° |
| C2 | C1 | C6 | O2 | 74.2° | 120.0° |
| C2 | C1 | C6 | O1 | 106.9° | 60.0° |
| C1 | C2 | H2 | H3 | 117.8° | 120.0° |
| C2 | C1 | N | H24 | 61.6° | 25.0° |
| C1 | C2 | C3 | H27 | 62.6° | 29.3° |
| C9 | C8 | C7 | C | 119.3° | 114.9° |
| C9 | C8 | C7 | C25 | 118.5° | 125.0° |
| C9 | C8 | C7 | C14 | 7.3° | 5.3° |
| C8 | C9 | C10 | H7 | 177.6° | 180.0° |
| C9 | C8 | C13 | H22 | 176.6° | 180.0° |
| C8 | C7 | C | O | 89.4° | 113.6° |
| C8 | C7 | C | N | 87.3° | 66.4° |
| C8 | C7 | C | C25 | 119.7° | 120.1° |
| C8 | C7 | C | C14 | 122.1° | 120.2° |
| C8 | C7 | C25 | C14 | 114.1° | 119.9° |
| C8 | C7 | C25 | C24 | 170.1° | 177.6° |
| C8 | C7 | C14 | C15 | 174.0° | 177.6° |
| C7 | C8 | C9 | H6 | 2.8° | 0.0° |
| C8 | C7 | C14 | H16 | 65.1° | 62.5° |
| C8 | C7 | C14 | H17 | 53.1° | 57.6° |
| C8 | C7 | C25 | H20 | 49.5° | 57.6° |
| C8 | C7 | C25 | H21 | 69.2° | 62.5° |
| C7 | C8 | C13 | H22 | 0.6° | 0.0° |
| N | C1 | C6 | H25 | 122.1° | 120.0° |
| C1 | N | C | O | 9.7° | 5.0° |
| C1 | N | C | H24 | 180.0° | 180.0° |
| C1 | N | C | C7 | 167.0° | 175.1° |
| N | C1 | C6 | O2 | 163.4° | 0.0° |
| N | C1 | C6 | O1 | 15.5° | 180.0° |
| N | C1 | C2 | H2 | 179.2° | 55.0° |
| N | C1 | C2 | H3 | 62.2° | 175.0° |
| C6 | C1 | N | C | 124.6° | 85.0° |
| C1 | C6 | O2 | O1 | 178.8° | 180.0° |
| C6 | C1 | C2 | H2 | 58.5° | 65.0° |
| C6 | C1 | C2 | H3 | 60.1° | 55.0° |
| C6 | C1 | N | H24 | 55.3° | 95.0° |
| C1 | C6 | O1 | H26 | 178.9° | 180.0° |
| O | C | N | C7 | 176.7° | 180.0° |
| O | C | C7 | C25 | 30.3° | 6.5° |
| O | C | C7 | C14 | 148.5° | 126.2° |
| O | C | N | H24 | 170.2° | 175.0° |
| N | C | C7 | C25 | 153.0° | 173.4° |
| N | C | C7 | C14 | 34.8° | 53.8° |
| C | N | C1 | H25 | 2.9° | 35.0° |
| C | C7 | C25 | C14 | 125.1° | 119.9° |
| C | C7 | C25 | C24 | 69.0° | 62.3° |
| C | C7 | C14 | C15 | 62.8° | 62.2° |
| C | C7 | C14 | H16 | 58.1° | 57.7° |
| C | C7 | C14 | H17 | 176.3° | 177.8° |
| C | C7 | C25 | H20 | 170.3° | 177.8° |
| C | C7 | C25 | H21 | 51.7° | 57.6° |
| C7 | C | N | H24 | 13.0° | 5.0° |
| C7 | C25 | C24 | H20 | 120.6° | 120.0° |
| C7 | C25 | C24 | H21 | 120.7° | 119.9° |
| C25 | C7 | C14 | C15 | 59.9° | 57.7° |
| C7 | C25 | C24 | N1 | 52.0° | 59.2° |
| C25 | C7 | C14 | H16 | 179.2° | 177.6° |
| C25 | C7 | C14 | H17 | 61.0° | 62.3° |
| C7 | C25 | C24 | H18 | 172.3° | 60.8° |
| C7 | C25 | C24 | H19 | 68.4° | 179.2° |
| C7 | C25 | H20 | H21 | 117.9° | 120.1° |
| C14 | C7 | C25 | C24 | 56.1° | 57.7° |
| C7 | C14 | C15 | H16 | 120.9° | 119.9° |
| C7 | C14 | C15 | H17 | 120.9° | 119.9° |
| C7 | C14 | C15 | N1 | 55.9° | 59.2° |
| C7 | C14 | C15 | H14 | 63.9° | 179.2° |
| C7 | C14 | C15 | H15 | 175.7° | 60.8° |
| C7 | C14 | H16 | H17 | 117.1° | 120.1° |
| C14 | C7 | C25 | H20 | 64.6° | 62.3° |
| C14 | C7 | C25 | H21 | 176.8° | 177.6° |
| O2 | C6 | C1 | H25 | 41.4° | 120.0° |
| O2 | C6 | O1 | H26 | 0.0° | 0.0° |
| O1 | C6 | C1 | H25 | 137.6° | 60.0° |
| C25 | C24 | N1 | H18 | 120.3° | 120.0° |
| C25 | C24 | N1 | H19 | 120.3° | 120.1° |
| C25 | C24 | N1 | C15 | 47.1° | 61.7° |
| C25 | C24 | N1 | C16 | 158.5° | 174.2° |
| C25 | C24 | H18 | H19 | 118.9° | 120.0° |
| C24 | C25 | H20 | H21 | 118.0° | 120.1° |
| C14 | C15 | N1 | C24 | 47.7° | 61.7° |
| C14 | C15 | N1 | H14 | 119.8° | 120.0° |
| C14 | C15 | N1 | H15 | 119.8° | 120.0° |
| C14 | C15 | N1 | C16 | 158.9° | 174.1° |
| C14 | C15 | H14 | H15 | 120.6° | 120.0° |
| C15 | C14 | H16 | H17 | 117.1° | 120.1° |
| C24 | N1 | C15 | C16 | 153.4° | 124.1° |
| C24 | N1 | C16 | C17 | 166.5° | 71.3° |
| C24 | N1 | C16 | H12 | 45.5° | 48.7° |
| C24 | N1 | C16 | H13 | 72.4° | 168.7° |
| C24 | N1 | C15 | H14 | 72.1° | 178.2° |
| C24 | N1 | C15 | H15 | 167.5° | 58.3° |
| N1 | C24 | H18 | H19 | 118.9° | 120.0° |
| N1 | C24 | C25 | H20 | 68.7° | 60.8° |
| N1 | C24 | C25 | H21 | 172.6° | 179.1° |
| C15 | N1 | C16 | C17 | 39.6° | 164.5° |
| C15 | N1 | C16 | H12 | 160.7° | 75.6° |
| C15 | N1 | C16 | H13 | 81.4° | 44.5° |
| N1 | C15 | H14 | H15 | 120.6° | 119.9° |
| N1 | C15 | C14 | H16 | 176.8° | 179.1° |
| N1 | C15 | C14 | H17 | 65.0° | 60.8° |
| C15 | N1 | C24 | H18 | 167.5° | 58.3° |
| C15 | N1 | C24 | H19 | 73.2° | 178.3° |
| N1 | C16 | C17 | H12 | 121.0° | 119.9° |
| N1 | C16 | C17 | H13 | 121.0° | 120.0° |
| N1 | C16 | C17 | C18 | 100.6° | 100.8° |
| N1 | C16 | C17 | C22 | 107.3° | 79.7° |
| N1 | C16 | H12 | H13 | 116.7° | 120.0° |
| C16 | N1 | C15 | H14 | 81.3° | 54.1° |
| C16 | N1 | C15 | H15 | 39.1° | 65.8° |
| C16 | N1 | C24 | H18 | 38.1° | 65.8° |
| C16 | N1 | C24 | H19 | 81.2° | 54.1° |
| C16 | C17 | C18 | C22 | 154.7° | 179.5° |
| C16 | C17 | C18 | C19 | 174.9° | 180.0° |
| C16 | C17 | C22 | C23 | 16.9° | 0.3° |
| C16 | C17 | C22 | C21 | 170.4° | 180.0° |
| C16 | C17 | C18 | H11 | 5.0° | 0.3° |
| C17 | C16 | H12 | H13 | 116.8° | 120.0° |
| F | C23 | C22 | C17 | 47.3° | 62.3° |
| F | C23 | C22 | F1 | 120.8° | 120.0° |
| F | C23 | C22 | F2 | 125.0° | 120.0° |
| F | C23 | F1 | F2 | 122.3° | 120.0° |
| F | C23 | C22 | C21 | 125.4° | 118.0° |
| C17 | C18 | C19 | H11 | 180.0° | 179.7° |
| C18 | C17 | C22 | C23 | 168.6° | 179.7° |
| C18 | C17 | C22 | C21 | 18.8° | 0.5° |
| C17 | C18 | C19 | C20 | 10.9° | 0.3° |
| C17 | C18 | C19 | H10 | 169.1° | 179.8° |
| C18 | C17 | C16 | H12 | 20.4° | 19.1° |
| C18 | C17 | C16 | H13 | 138.3° | 139.2° |
| C22 | C17 | C18 | C19 | 20.3° | 0.6° |
| C17 | C22 | C23 | C21 | 172.7° | 179.7° |
| C17 | C22 | C23 | F1 | 73.5° | 177.7° |
| C17 | C22 | C23 | F2 | 172.3° | 57.7° |
| C17 | C22 | C21 | C20 | 7.7° | 0.3° |
| C17 | C22 | C21 | H8 | 172.3° | 179.8° |
| C22 | C17 | C18 | H11 | 159.7° | 179.7° |
| C22 | C17 | C16 | H12 | 131.6° | 160.3° |
| C22 | C17 | C16 | H13 | 13.7° | 40.3° |
| C18 | C19 | C20 | H10 | 180.0° | 179.9° |
| C18 | C19 | C20 | C21 | 1.5° | 0.0° |
| C18 | C19 | C20 | H9 | 178.5° | 179.9° |
| C22 | C23 | F1 | F2 | 116.5° | 120.0° |
| C23 | C22 | C21 | C20 | 179.1° | 180.0° |
| C23 | C22 | C21 | H8 | 0.9° | 0.0° |
| F1 | C23 | C22 | C21 | 113.8° | 2.0° |
| F2 | C23 | C22 | C21 | 0.4° | 122.0° |
| C22 | C21 | C20 | C19 | 2.5° | 0.0° |
| C22 | C21 | C20 | H8 | 180.0° | 180.0° |
| C22 | C21 | C20 | H9 | 177.4° | 179.9° |
| C19 | C20 | C21 | H9 | 180.0° | 180.0° |
| C19 | C20 | C21 | H8 | 177.5° | 180.0° |
| C20 | C19 | C18 | H11 | 169.1° | 180.0° |
| C21 | C20 | C19 | H10 | 178.5° | 180.0° |
| H2 | C2 | C1 | H25 | 57.4° | 175.0° |
| H2 | C2 | C3 | H27 | 58.1° | 149.3° |
| H3 | C2 | C1 | H25 | 176.0° | 65.0° |
| H3 | C2 | C3 | H27 | 176.6° | 90.6° |
| H4 | C4 | C3 | H27 | 0.5° | 145.0° |
| H4 | C4 | C5 | H28 | 141.2° | 0.0° |
| H4 | C4 | C5 | H29 | 0.1° | 145.0° |
| H5 | C4 | C3 | H27 | 141.6° | 0.0° |
| H5 | C4 | C5 | H28 | 0.1° | 145.0° |
| H5 | C4 | C5 | H29 | 141.2° | 0.0° |
| H6 | C9 | C10 | H7 | 2.4° | 0.3° |
| H8 | C21 | C20 | H9 | 2.6° | 0.0° |
| H9 | C20 | C19 | H10 | 1.5° | 0.0° |
| H10 | C19 | C18 | H11 | 10.9° | 0.1° |
| H14 | C15 | C14 | H16 | 57.1° | 60.9° |
| H14 | C15 | C14 | H17 | 175.2° | 59.3° |
| H15 | C15 | C14 | H16 | 63.4° | 59.1° |
| H15 | C15 | C14 | H17 | 54.8° | 179.2° |
| H18 | C24 | C25 | H20 | 51.7° | 179.2° |
| H18 | C24 | C25 | H21 | 67.0° | 59.1° |
| H19 | C24 | C25 | H20 | 171.0° | 59.2° |
| H19 | C24 | C25 | H21 | 52.3° | 60.9° |
| H22 | C13 | C12 | H23 | 3.8° | 0.3° |
| H24 | N | C1 | H25 | 177.1° | 145.0° |
| H27 | C3 | C5 | H28 | 141.6° | 145.1° |
| H27 | C3 | C5 | H29 | 0.3° | 0.0° |
