QBR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | C27 | sing | 1.40Å | 1.42Å | Aromatic |
| C28 | C29 | doub | 1.35Å | 1.32Å | Aromatic |
| C27 | C26 | doub | 1.37Å | 1.35Å | Aromatic |
| O1 | C25 | doub | 1.22Å | 1.22Å | |
| C29 | O2 | sing | 1.34Å | 1.38Å | Aromatic |
| C26 | C25 | sing | 1.47Å | 1.50Å | |
| C26 | O2 | sing | 1.35Å | 1.36Å | Aromatic |
| C25 | N | sing | 1.35Å | 1.36Å | |
| C22 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C21 | sing | 1.39Å | 1.38Å | Aromatic |
| C23 | N2 | sing | 1.32Å | 1.34Å | Aromatic |
| N2 | C24 | doub | 1.32Å | 1.34Å | Aromatic |
| C21 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C24 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C10 | sing | 1.51Å | 1.52Å | |
| N | C10 | sing | 1.46Å | 1.48Å | |
| N | C7 | sing | 1.40Å | 1.44Å | |
| C10 | C11 | sing | 1.51Å | 1.54Å | |
| C7 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | N1 | sing | 1.35Å | 1.33Å | |
| C11 | O | doub | 1.21Å | 1.22Å | |
| N1 | C12 | sing | 1.46Å | 1.46Å | |
| C5 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C1 | sing | 1.51Å | 1.54Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C3 | C1 | sing | 1.53Å | 1.53Å | |
| C1 | C | sing | 1.53Å | 1.54Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C13 | C14 | sing | 1.51Å | 1.51Å | |
| C14 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.37Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | F | sing | 1.35Å | 1.36Å | |
| C18 | C17 | doub | 1.38Å | 1.37Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C17 | H9 | sing | 1.08Å | 1.08Å | |
| C21 | H10 | sing | 1.08Å | 1.08Å | |
| C22 | H11 | sing | 1.08Å | 1.08Å | |
| C24 | H12 | sing | 1.08Å | 1.08Å | |
| C28 | H13 | sing | 1.08Å | 1.08Å | |
| C29 | H14 | sing | 1.08Å | 1.08Å | |
| C27 | H15 | sing | 1.08Å | 1.08Å | |
| C9 | H16 | sing | 1.08Å | 1.08Å | |
| C3 | H17 | sing | 1.09Å | 1.10Å | |
| C3 | H18 | sing | 1.09Å | 1.10Å | |
| C3 | H19 | sing | 1.09Å | 1.10Å | |
| C2 | H20 | sing | 1.09Å | 1.10Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C | H23 | sing | 1.09Å | 1.10Å | |
| C | H24 | sing | 1.09Å | 1.10Å | |
| C | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.08Å | 1.08Å | |
| C12 | H27 | sing | 1.09Å | 1.10Å | |
| C12 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | H29 | sing | 1.08Å | 1.08Å | |
| C16 | H30 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C27 | C28 | C29 | 106.7° | 107.1° |
| C28 | C27 | C26 | 106.9° | 106.7° |
| C27 | C28 | H13 | 126.7° | 126.4° |
| C28 | C27 | H15 | 126.6° | 126.6° |
| C28 | C29 | O2 | 110.7° | 108.8° |
| C29 | C28 | H13 | 126.6° | 126.5° |
| C28 | C29 | H14 | 124.6° | 125.6° |
| C27 | C26 | C25 | 124.4° | 126.0° |
| C27 | C26 | O2 | 109.7° | 108.0° |
| C26 | C27 | H15 | 126.6° | 126.6° |
| O1 | C25 | C26 | 116.3° | 120.0° |
| O1 | C25 | N | 123.0° | 120.0° |
| C29 | O2 | C26 | 106.1° | 109.4° |
| O2 | C29 | H14 | 124.7° | 125.7° |
| C25 | C26 | O2 | 125.8° | 126.0° |
| C26 | C25 | N | 120.6° | 120.0° |
| C25 | N | C10 | 117.8° | 120.0° |
| C25 | N | C7 | 124.0° | 120.0° |
| C23 | C22 | C21 | 118.2° | 119.1° |
| C22 | C23 | N2 | 123.2° | 120.8° |
| C23 | C22 | H11 | 120.9° | 120.4° |
| C22 | C23 | H26 | 118.4° | 119.6° |
| C22 | C21 | C20 | 120.2° | 118.4° |
| C22 | C21 | H10 | 119.9° | 120.8° |
| C21 | C22 | H11 | 120.8° | 120.4° |
| C23 | N2 | C24 | 117.3° | 121.7° |
| N2 | C23 | H26 | 118.4° | 119.6° |
| N2 | C24 | C20 | 124.2° | 120.8° |
| N2 | C24 | H12 | 117.9° | 119.6° |
| C21 | C20 | C24 | 116.8° | 119.2° |
| C21 | C20 | C10 | 120.5° | 120.4° |
| C20 | C21 | H10 | 119.9° | 120.8° |
| C24 | C20 | C10 | 121.9° | 120.4° |
| C20 | C24 | H12 | 117.9° | 119.6° |
| C20 | C10 | N | 113.5° | 109.5° |
| C20 | C10 | C11 | 111.1° | 109.5° |
| C20 | C10 | H5 | 105.8° | 109.5° |
| C10 | N | C7 | 117.5° | 120.0° |
| N | C10 | C11 | 113.8° | 109.5° |
| N | C10 | H5 | 106.2° | 109.5° |
| N | C7 | C6 | 120.2° | 120.1° |
| N | C7 | C8 | 120.6° | 120.1° |
| C10 | C11 | N1 | 115.3° | 120.0° |
| C10 | C11 | O | 120.9° | 120.0° |
| C11 | C10 | H5 | 105.6° | 109.5° |
| C6 | C7 | C8 | 119.1° | 119.9° |
| C7 | C6 | C5 | 120.2° | 119.9° |
| C7 | C6 | H3 | 119.9° | 120.0° |
| C7 | C8 | C9 | 120.2° | 120.0° |
| C7 | C8 | H4 | 119.9° | 120.1° |
| C6 | C5 | C4 | 121.3° | 120.1° |
| C6 | C5 | H2 | 119.3° | 119.9° |
| C5 | C6 | H3 | 119.9° | 120.1° |
| C8 | C9 | C4 | 121.1° | 120.0° |
| C9 | C8 | H4 | 119.9° | 120.0° |
| C8 | C9 | H16 | 119.5° | 120.0° |
| N1 | C11 | O | 123.8° | 120.0° |
| C11 | N1 | C12 | 121.8° | 120.0° |
| C11 | N1 | H1 | 119.1° | 120.0° |
| N1 | C12 | C13 | 111.6° | 109.5° |
| C12 | N1 | H1 | 119.1° | 119.9° |
| N1 | C12 | H27 | 108.9° | 109.5° |
| N1 | C12 | H28 | 108.9° | 109.5° |
| C5 | C4 | C9 | 118.1° | 120.2° |
| C5 | C4 | C1 | 119.5° | 119.9° |
| C4 | C5 | H2 | 119.3° | 120.0° |
| C9 | C4 | C1 | 122.4° | 119.9° |
| C4 | C9 | H16 | 119.5° | 119.9° |
| C4 | C1 | C3 | 109.6° | 109.5° |
| C4 | C1 | C | 113.1° | 109.5° |
| C4 | C1 | C2 | 109.8° | 109.4° |
| C12 | C13 | C14 | 113.2° | 109.5° |
| C12 | C13 | H6 | 108.5° | 109.5° |
| C12 | C13 | H7 | 108.5° | 109.4° |
| C13 | C12 | H27 | 108.9° | 109.5° |
| C13 | C12 | H28 | 108.9° | 109.5° |
| C3 | C1 | C | 107.9° | 109.5° |
| C3 | C1 | C2 | 108.3° | 109.5° |
| C1 | C3 | H17 | 109.5° | 109.5° |
| C1 | C3 | H18 | 109.5° | 109.5° |
| C1 | C3 | H19 | 109.5° | 109.5° |
| C | C1 | C2 | 107.9° | 109.5° |
| C1 | C | H23 | 109.5° | 109.5° |
| C1 | C | H24 | 109.5° | 109.4° |
| C1 | C | H25 | 109.5° | 109.4° |
| C1 | C2 | H20 | 109.5° | 109.5° |
| C1 | C2 | H21 | 109.5° | 109.4° |
| C1 | C2 | H22 | 109.5° | 109.5° |
| C13 | C14 | C19 | 120.2° | 120.0° |
| C13 | C14 | C15 | 121.0° | 120.0° |
| C14 | C13 | H6 | 108.5° | 109.5° |
| C14 | C13 | H7 | 108.5° | 109.5° |
| C19 | C14 | C15 | 118.7° | 120.1° |
| C14 | C19 | C18 | 118.9° | 120.0° |
| C14 | C19 | H29 | 120.5° | 120.0° |
| C14 | C15 | C16 | 120.8° | 120.0° |
| C14 | C15 | H8 | 119.6° | 120.0° |
| C19 | C18 | F | 118.2° | 120.0° |
| C19 | C18 | C17 | 123.4° | 120.0° |
| C18 | C19 | H29 | 120.5° | 120.0° |
| C15 | C16 | C17 | 120.4° | 120.0° |
| C16 | C15 | H8 | 119.6° | 120.0° |
| C15 | C16 | H30 | 119.8° | 120.0° |
| F | C18 | C17 | 118.4° | 120.0° |
| C18 | C17 | C16 | 117.7° | 120.0° |
| C18 | C17 | H9 | 121.1° | 120.0° |
| C16 | C17 | H9 | 121.1° | 120.0° |
| C17 | C16 | H30 | 119.8° | 119.9° |
| H6 | C13 | H7 | 109.5° | 109.5° |
| H17 | C3 | H18 | 109.5° | 109.4° |
| H17 | C3 | H19 | 109.4° | 109.5° |
| H18 | C3 | H19 | 109.5° | 109.5° |
| H20 | C2 | H21 | 109.5° | 109.5° |
| H20 | C2 | H22 | 109.4° | 109.5° |
| H21 | C2 | H22 | 109.5° | 109.5° |
| H23 | C | H24 | 109.5° | 109.5° |
| H23 | C | H25 | 109.4° | 109.5° |
| H24 | C | H25 | 109.5° | 109.5° |
| H27 | C12 | H28 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C27 | C28 | C29 | H13 | 180.0° | 179.7° |
| C28 | C27 | C26 | H15 | 180.0° | 179.7° |
| C27 | C28 | C29 | O2 | 0.1° | 0.2° |
| C28 | C27 | C26 | C25 | 175.8° | 179.9° |
| C28 | C27 | C26 | O2 | 0.3° | 0.4° |
| C27 | C28 | C29 | H14 | 179.9° | 180.0° |
| C29 | C28 | C27 | C26 | 0.2° | 0.4° |
| C28 | C29 | O2 | H14 | 180.0° | 179.8° |
| C28 | C29 | O2 | C26 | 0.1° | 0.0° |
| C29 | C28 | C27 | H15 | 179.8° | 179.9° |
| C27 | C26 | C25 | O1 | 15.3° | 5.6° |
| C27 | C26 | O2 | C29 | 0.2° | 0.3° |
| C27 | C26 | C25 | O2 | 175.4° | 179.7° |
| C27 | C26 | C25 | N | 168.2° | 174.3° |
| C26 | C27 | C28 | H13 | 179.8° | 179.9° |
| O1 | C25 | C26 | N | 176.5° | 180.0° |
| O1 | C25 | C26 | O2 | 160.1° | 174.0° |
| O1 | C25 | N | C10 | 1.1° | 174.9° |
| O1 | C25 | N | C7 | 170.9° | 5.1° |
| C29 | O2 | C26 | C25 | 175.8° | 180.0° |
| O2 | C29 | C28 | H13 | 179.9° | 179.9° |
| C26 | C25 | N | C10 | 175.2° | 5.1° |
| C26 | C25 | N | C7 | 5.3° | 174.9° |
| C25 | C26 | C27 | H15 | 4.2° | 0.2° |
| O2 | C26 | C25 | N | 16.4° | 6.0° |
| C26 | O2 | C29 | H14 | 179.9° | 179.8° |
| O2 | C26 | C27 | H15 | 179.7° | 179.9° |
| C25 | N | C10 | C20 | 53.5° | 173.6° |
| C25 | N | C10 | C7 | 170.5° | 180.0° |
| C25 | N | C10 | C11 | 178.1° | 66.4° |
| C25 | N | C7 | C6 | 85.7° | 72.1° |
| C25 | N | C7 | C8 | 98.1° | 107.9° |
| C25 | N | C10 | H5 | 62.3° | 53.6° |
| C23 | C22 | C21 | H11 | 180.0° | 179.9° |
| C22 | C23 | N2 | H26 | 180.0° | 179.8° |
| C22 | C23 | N2 | C24 | 0.1° | 0.2° |
| C23 | C22 | C21 | C20 | 0.6° | 0.0° |
| C23 | C22 | C21 | H10 | 179.4° | 180.0° |
| C21 | C22 | C23 | N2 | 0.5° | 0.3° |
| C22 | C21 | C20 | H10 | 180.0° | 180.0° |
| C22 | C21 | C20 | C24 | 1.9° | 0.3° |
| C22 | C21 | C20 | C10 | 167.8° | 180.0° |
| C21 | C22 | C23 | H26 | 179.5° | 180.0° |
| C23 | N2 | C24 | C20 | 1.4° | 0.0° |
| N2 | C23 | C22 | H11 | 179.5° | 179.8° |
| C23 | N2 | C24 | H12 | 178.6° | 179.9° |
| N2 | C24 | C20 | C21 | 2.4° | 0.3° |
| N2 | C24 | C20 | H12 | 180.0° | 180.0° |
| N2 | C24 | C20 | C10 | 167.1° | 180.0° |
| C24 | N2 | C23 | H26 | 179.9° | 180.0° |
| C21 | C20 | C24 | C10 | 169.5° | 179.7° |
| C21 | C20 | C10 | N | 138.5° | 127.4° |
| C21 | C20 | C10 | C11 | 91.8° | 112.6° |
| C21 | C20 | C10 | H5 | 22.4° | 7.4° |
| C20 | C21 | C22 | H11 | 179.4° | 179.9° |
| C21 | C20 | C24 | H12 | 177.6° | 179.7° |
| C24 | C20 | C10 | N | 52.3° | 52.9° |
| C24 | C20 | C10 | C11 | 77.4° | 67.1° |
| C24 | C20 | C10 | H5 | 168.4° | 172.9° |
| C24 | C20 | C21 | H10 | 178.1° | 179.8° |
| C20 | C10 | N | C11 | 128.4° | 120.0° |
| C20 | C10 | N | H5 | 115.9° | 120.0° |
| C20 | C10 | N | C7 | 136.0° | 6.4° |
| C20 | C10 | C11 | H5 | 114.3° | 120.0° |
| C20 | C10 | C11 | N1 | 124.6° | 60.0° |
| C20 | C10 | C11 | O | 53.3° | 120.0° |
| C10 | C20 | C21 | H10 | 12.2° | 0.0° |
| C10 | C20 | C24 | H12 | 12.9° | 0.1° |
| N | C10 | C11 | H5 | 116.1° | 120.0° |
| C10 | N | C7 | C6 | 84.2° | 107.9° |
| C10 | N | C7 | C8 | 92.0° | 72.1° |
| N | C10 | C11 | N1 | 105.8° | 180.0° |
| N | C10 | C11 | O | 76.3° | 0.0° |
| C7 | N | C10 | C11 | 7.6° | 113.6° |
| N | C7 | C6 | C8 | 176.3° | 179.9° |
| N | C7 | C6 | C5 | 175.2° | 180.0° |
| N | C7 | C8 | C9 | 175.7° | 179.7° |
| N | C7 | C6 | H3 | 4.8° | 0.0° |
| N | C7 | C8 | H4 | 4.3° | 0.0° |
| C7 | N | C10 | H5 | 108.2° | 126.4° |
| C10 | C11 | N1 | O | 177.8° | 180.0° |
| C10 | C11 | N1 | C12 | 179.1° | 180.0° |
| C10 | C11 | N1 | H1 | 0.9° | 0.3° |
| C7 | C6 | C5 | H3 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.5° | 0.3° |
| C7 | C6 | C5 | C4 | 1.5° | 0.0° |
| C7 | C6 | C5 | H2 | 178.5° | 180.0° |
| C6 | C7 | C8 | H4 | 179.5° | 180.0° |
| C8 | C7 | C6 | C5 | 1.1° | 0.0° |
| C7 | C8 | C9 | H4 | 180.0° | 179.7° |
| C7 | C8 | C9 | C4 | 0.4° | 0.6° |
| C8 | C7 | C6 | H3 | 178.9° | 180.0° |
| C7 | C8 | C9 | H16 | 179.6° | 180.0° |
| C6 | C5 | C4 | H2 | 180.0° | 180.0° |
| C6 | C5 | C4 | C9 | 1.3° | 0.2° |
| C6 | C5 | C4 | C1 | 176.7° | 180.0° |
| C8 | C9 | C4 | C5 | 0.8° | 0.5° |
| C8 | C9 | C4 | H16 | 180.0° | 179.4° |
| C8 | C9 | C4 | C1 | 177.1° | 179.7° |
| C11 | N1 | C12 | H1 | 180.0° | 179.7° |
| C11 | N1 | C12 | C13 | 67.3° | 179.7° |
| N1 | C11 | C10 | H5 | 10.3° | 60.0° |
| C11 | N1 | C12 | H27 | 53.1° | 60.3° |
| C11 | N1 | C12 | H28 | 172.4° | 59.7° |
| O | C11 | N1 | C12 | 3.0° | 0.0° |
| O | C11 | N1 | H1 | 177.0° | 179.7° |
| O | C11 | C10 | H5 | 167.6° | 120.0° |
| N1 | C12 | C13 | H27 | 120.3° | 120.0° |
| N1 | C12 | C13 | H28 | 120.3° | 120.0° |
| N1 | C12 | C13 | C14 | 167.3° | 180.0° |
| N1 | C12 | C13 | H6 | 72.2° | 60.0° |
| N1 | C12 | C13 | H7 | 46.7° | 60.0° |
| N1 | C12 | H27 | H28 | 119.0° | 120.0° |
| C5 | C4 | C9 | C1 | 177.9° | 179.8° |
| C5 | C4 | C1 | C3 | 60.8° | 179.9° |
| C5 | C4 | C1 | C | 178.7° | 59.9° |
| C5 | C4 | C1 | C2 | 58.2° | 60.1° |
| C4 | C5 | C6 | H3 | 178.5° | 180.0° |
| C5 | C4 | C9 | H16 | 179.2° | 179.9° |
| C9 | C4 | C1 | C3 | 117.2° | 0.3° |
| C9 | C4 | C1 | C | 3.4° | 120.2° |
| C9 | C4 | C1 | C2 | 123.9° | 119.8° |
| C9 | C4 | C5 | H2 | 178.7° | 179.7° |
| C4 | C9 | C8 | H4 | 179.6° | 179.7° |
| C4 | C1 | C3 | C | 123.6° | 120.0° |
| C4 | C1 | C3 | C2 | 119.8° | 120.0° |
| C4 | C1 | C | C2 | 121.7° | 120.0° |
| C1 | C4 | C5 | H2 | 3.3° | 0.1° |
| C1 | C4 | C9 | H16 | 2.8° | 0.3° |
| C4 | C1 | C3 | H17 | 180.0° | 60.0° |
| C4 | C1 | C3 | H18 | 60.0° | 179.9° |
| C4 | C1 | C3 | H19 | 60.0° | 60.0° |
| C4 | C1 | C2 | H20 | 180.0° | 60.0° |
| C4 | C1 | C2 | H21 | 60.0° | 180.0° |
| C4 | C1 | C2 | H22 | 60.0° | 60.0° |
| C4 | C1 | C | H23 | 180.0° | 60.0° |
| C4 | C1 | C | H24 | 60.0° | 180.0° |
| C4 | C1 | C | H25 | 60.0° | 60.0° |
| C12 | C13 | C14 | H6 | 120.6° | 120.0° |
| C12 | C13 | C14 | H7 | 120.5° | 120.0° |
| C12 | C13 | C14 | C19 | 90.6° | 90.0° |
| C12 | C13 | C14 | C15 | 88.4° | 90.0° |
| C13 | C12 | N1 | H1 | 112.7° | 0.0° |
| C12 | C13 | H6 | H7 | 118.3° | 120.0° |
| C13 | C12 | H27 | H28 | 119.0° | 120.0° |
| C3 | C1 | C | C2 | 116.8° | 120.0° |
| C1 | C3 | H17 | H18 | 120.0° | 120.0° |
| C1 | C3 | H17 | H19 | 120.0° | 120.0° |
| C1 | C3 | H18 | H19 | 120.0° | 120.0° |
| C3 | C1 | C2 | H20 | 60.3° | 180.0° |
| C3 | C1 | C2 | H21 | 179.7° | 60.0° |
| C3 | C1 | C2 | H22 | 59.7° | 60.0° |
| C3 | C1 | C | H23 | 58.6° | 60.0° |
| C3 | C1 | C | H24 | 61.5° | 60.0° |
| C3 | C1 | C | H25 | 178.5° | 180.0° |
| C | C1 | C3 | H17 | 56.3° | 180.0° |
| C | C1 | C3 | H18 | 176.4° | 60.1° |
| C | C1 | C3 | H19 | 63.6° | 60.0° |
| C | C1 | C2 | H20 | 56.3° | 60.0° |
| C | C1 | C2 | H21 | 63.7° | 60.0° |
| C | C1 | C2 | H22 | 176.3° | 180.0° |
| C1 | C | H23 | H24 | 120.0° | 120.0° |
| C1 | C | H23 | H25 | 120.0° | 120.0° |
| C1 | C | H24 | H25 | 120.0° | 119.9° |
| C2 | C1 | C3 | H17 | 60.2° | 60.0° |
| C2 | C1 | C3 | H18 | 59.8° | 60.0° |
| C2 | C1 | C3 | H19 | 179.8° | 180.0° |
| C1 | C2 | H20 | H21 | 120.0° | 120.0° |
| C1 | C2 | H20 | H22 | 120.0° | 120.0° |
| C1 | C2 | H21 | H22 | 120.0° | 120.0° |
| C2 | C1 | C | H23 | 58.3° | 180.0° |
| C2 | C1 | C | H24 | 178.3° | 60.0° |
| C2 | C1 | C | H25 | 61.7° | 59.9° |
| C13 | C14 | C19 | C15 | 179.1° | 180.0° |
| C13 | C14 | C19 | C18 | 178.4° | 180.0° |
| C13 | C14 | C15 | C16 | 178.8° | 180.0° |
| C14 | C13 | H6 | H7 | 118.3° | 120.0° |
| C13 | C14 | C15 | H8 | 1.2° | 0.3° |
| C14 | C13 | C12 | H27 | 46.9° | 59.9° |
| C14 | C13 | C12 | H28 | 72.4° | 60.0° |
| C13 | C14 | C19 | H29 | 1.7° | 0.1° |
| C14 | C19 | C18 | H29 | 180.0° | 179.9° |
| C19 | C14 | C15 | C16 | 0.3° | 0.0° |
| C14 | C19 | C18 | F | 177.1° | 180.0° |
| C14 | C19 | C18 | C17 | 0.9° | 0.0° |
| C19 | C14 | C13 | H6 | 148.8° | 30.0° |
| C19 | C14 | C13 | H7 | 29.9° | 150.0° |
| C19 | C14 | C15 | H8 | 179.7° | 179.7° |
| C15 | C14 | C19 | C18 | 0.7° | 0.0° |
| C14 | C15 | C16 | H8 | 180.0° | 179.7° |
| C14 | C15 | C16 | C17 | 0.0° | 0.0° |
| C15 | C14 | C13 | H6 | 32.1° | 150.0° |
| C15 | C14 | C13 | H7 | 151.0° | 30.0° |
| C15 | C14 | C19 | H29 | 179.3° | 179.9° |
| C14 | C15 | C16 | H30 | 180.0° | 179.8° |
| C19 | C18 | F | C17 | 178.2° | 179.9° |
| C19 | C18 | C17 | C16 | 0.7° | 0.1° |
| C19 | C18 | C17 | H9 | 179.3° | 180.0° |
| C15 | C16 | C17 | C18 | 0.2° | 0.0° |
| C15 | C16 | C17 | H30 | 180.0° | 179.7° |
| C15 | C16 | C17 | H9 | 179.8° | 179.9° |
| F | C18 | C17 | C16 | 177.4° | 180.0° |
| F | C18 | C17 | H9 | 2.6° | 0.1° |
| F | C18 | C19 | H29 | 2.9° | 0.1° |
| C18 | C17 | C16 | H9 | 180.0° | 179.9° |
| C17 | C18 | C19 | H29 | 179.0° | 180.0° |
| C18 | C17 | C16 | H30 | 179.8° | 179.8° |
| C17 | C16 | C15 | H8 | 180.0° | 179.7° |
| H1 | N1 | C12 | H27 | 126.9° | 120.1° |
| H1 | N1 | C12 | H28 | 7.6° | 120.0° |
| H2 | C5 | C6 | H3 | 1.5° | 0.0° |
| H4 | C8 | C9 | H16 | 0.4° | 0.3° |
| H6 | C13 | C12 | H27 | 167.5° | 180.0° |
| H6 | C13 | C12 | H28 | 48.1° | 60.0° |
| H7 | C13 | C12 | H27 | 73.6° | 60.0° |
| H7 | C13 | C12 | H28 | 167.0° | 180.0° |
| H8 | C15 | C16 | H30 | 0.0° | 0.1° |
| H9 | C17 | C16 | H30 | 0.2° | 0.3° |
| H10 | C21 | C22 | H11 | 0.6° | 0.0° |
| H11 | C22 | C23 | H26 | 0.5° | 0.0° |
| H13 | C28 | C29 | H14 | 0.1° | 0.3° |
| H13 | C28 | C27 | H15 | 0.2° | 0.2° |
| H17 | C3 | H18 | H19 | 120.0° | 120.0° |
| H20 | C2 | H21 | H22 | 120.0° | 120.0° |
| H23 | C | H24 | H25 | 120.0° | 120.1° |
