C03
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.40Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.44Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.08Å | |
| C2 | C3 | sing | 1.41Å | 1.55Å | Aromatic |
| C2 | H2 | sing | 1.09Å | 1.08Å | |
| C3 | C10 | sing | 1.42Å | 1.43Å | |
| C3 | C4 | doub | 1.40Å | 1.35Å | Aromatic |
| C4 | N12 | sing | 1.38Å | 1.41Å | |
| C4 | C5 | sing | 1.40Å | 1.43Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.47Å | Aromatic |
| C5 | H5 | sing | 1.09Å | 1.08Å | |
| C6 | O19 | sing | 1.36Å | 1.38Å | |
| C10 | C11 | doub | 1.38Å | 1.42Å | |
| C10 | C13 | sing | 1.45Å | 1.52Å | |
| C11 | C14 | sing | 1.48Å | 1.53Å | |
| C11 | N12 | sing | 1.37Å | 1.44Å | |
| N12 | C18 | sing | 1.45Å | 1.49Å | |
| C13 | N46 | doub | 1.34Å | 1.37Å | |
| C13 | C49 | sing | 1.41Å | 1.44Å | |
| C14 | H141 | sing | 1.10Å | 1.10Å | |
| C14 | H142 | sing | 1.10Å | 1.10Å | |
| C14 | H143 | sing | 1.10Å | 1.10Å | |
| C18 | C24 | sing | 1.50Å | 1.56Å | |
| C18 | H181 | sing | 1.10Å | 1.10Å | |
| C18 | H182 | sing | 1.10Å | 1.10Å | |
| O19 | C20 | sing | 1.42Å | 1.41Å | |
| C20 | F22 | sing | 1.35Å | 1.35Å | |
| C20 | F21 | sing | 1.35Å | 1.32Å | |
| C20 | F23 | sing | 1.35Å | 1.33Å | |
| C24 | C31 | doub | 1.39Å | 1.46Å | Aromatic |
| C24 | C27 | sing | 1.39Å | 1.47Å | Aromatic |
| C27 | C28 | doub | 1.39Å | 1.44Å | Aromatic |
| C27 | H27 | sing | 1.09Å | 1.08Å | |
| C28 | C29 | sing | 1.40Å | 1.44Å | Aromatic |
| C28 | O36 | sing | 1.36Å | 1.43Å | |
| C29 | C30 | doub | 1.40Å | 1.43Å | Aromatic |
| C29 | H29 | sing | 1.09Å | 1.08Å | |
| C30 | C31 | sing | 1.39Å | 1.44Å | Aromatic |
| C30 | H30 | sing | 1.09Å | 1.08Å | |
| C31 | CL1 | sing | 1.73Å | 1.71Å | |
| O36 | C37 | sing | 1.43Å | 1.45Å | |
| C37 | C42 | sing | 1.51Å | 1.53Å | |
| C37 | C38 | sing | 1.52Å | 1.54Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.10Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C38 | H383 | sing | 1.09Å | 1.10Å | |
| C42 | O44 | doub | 1.22Å | 1.18Å | |
| C42 | O45 | sing | 1.36Å | 1.35Å | |
| O45 | HO45 | sing | 0.98Å | 0.95Å | |
| N46 | O47 | sing | 1.39Å | 1.36Å | |
| O47 | C48 | sing | 1.36Å | 1.36Å | |
| C48 | C49 | doub | 1.38Å | 1.43Å | Aromatic |
| C48 | C50 | sing | 1.39Å | 1.40Å | Aromatic |
| C49 | C53 | sing | 1.40Å | 1.50Å | Aromatic |
| C50 | C51 | doub | 1.40Å | 1.47Å | Aromatic |
| C50 | H50 | sing | 1.08Å | 1.08Å | |
| C51 | C52 | sing | 1.40Å | 1.43Å | Aromatic |
| C51 | O57 | sing | 1.36Å | 1.39Å | |
| C52 | C53 | doub | 1.40Å | 1.41Å | Aromatic |
| C52 | H52 | sing | 1.09Å | 1.08Å | |
| C53 | H53 | sing | 1.09Å | 1.08Å | |
| O57 | C58 | sing | 1.43Å | 1.41Å | |
| C58 | H581 | sing | 1.09Å | 1.10Å | |
| C58 | H582 | sing | 1.09Å | 1.10Å | |
| C58 | H583 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 119.2° | 120.8° |
| C2 | C1 | H1 | 120.4° | 119.1° |
| C1 | C2 | C3 | 118.1° | 119.1° |
| C1 | C2 | H2 | 120.9° | 119.8° |
| C6 | C1 | H1 | 120.4° | 120.1° |
| C1 | C6 | C5 | 120.6° | 121.1° |
| C1 | C6 | O19 | 123.1° | 119.6° |
| C3 | C2 | H2 | 120.9° | 121.1° |
| C2 | C3 | C10 | 122.5° | 134.1° |
| C2 | C3 | C4 | 122.7° | 118.8° |
| C10 | C3 | C4 | 114.8° | 107.1° |
| C3 | C10 | C11 | 100.1° | 107.7° |
| C3 | C10 | C13 | 128.1° | 125.0° |
| C3 | C4 | N12 | 107.8° | 107.1° |
| C3 | C4 | C5 | 118.8° | 122.7° |
| N12 | C4 | C5 | 133.4° | 130.2° |
| C4 | N12 | C11 | 104.5° | 110.2° |
| C4 | N12 | C18 | 125.2° | 124.9° |
| C4 | C5 | C6 | 120.6° | 117.5° |
| C4 | C5 | H5 | 119.7° | 121.5° |
| C6 | C5 | H5 | 119.7° | 121.0° |
| C5 | C6 | O19 | 116.3° | 119.4° |
| C6 | O19 | C20 | 123.0° | 118.2° |
| C11 | C10 | C13 | 131.8° | 127.3° |
| C10 | C11 | C14 | 125.0° | 130.2° |
| C10 | C11 | N12 | 112.8° | 107.9° |
| C10 | C13 | N46 | 132.1° | 122.6° |
| C10 | C13 | C49 | 124.9° | 124.9° |
| C14 | C11 | N12 | 122.2° | 121.9° |
| C11 | C14 | H141 | 109.5° | 111.0° |
| C11 | C14 | H142 | 109.5° | 111.9° |
| C11 | C14 | H143 | 109.5° | 111.8° |
| C11 | N12 | C18 | 130.3° | 125.0° |
| N12 | C18 | C24 | 114.6° | 111.4° |
| N12 | C18 | H181 | 107.8° | 108.2° |
| N12 | C18 | H182 | 106.7° | 108.1° |
| N46 | C13 | C49 | 103.0° | 112.5° |
| C13 | N46 | O47 | 112.7° | 105.2° |
| C13 | C49 | C48 | 109.1° | 103.5° |
| C13 | C49 | C53 | 134.6° | 137.4° |
| H141 | C14 | H142 | 109.5° | 107.9° |
| H141 | C14 | H143 | 109.5° | 107.9° |
| H142 | C14 | H143 | 109.5° | 106.2° |
| C24 | C18 | H181 | 107.8° | 111.2° |
| C24 | C18 | H182 | 106.6° | 111.2° |
| C18 | C24 | C31 | 123.2° | 121.3° |
| C18 | C24 | C27 | 120.3° | 118.0° |
| H181 | C18 | H182 | 113.6° | 106.5° |
| O19 | C20 | F22 | 110.1° | 108.7° |
| O19 | C20 | F21 | 106.5° | 111.1° |
| O19 | C20 | F23 | 109.9° | 111.1° |
| F22 | C20 | F21 | 109.7° | 107.9° |
| F22 | C20 | F23 | 110.9° | 107.9° |
| F21 | C20 | F23 | 109.6° | 109.8° |
| C31 | C24 | C27 | 116.4° | 120.8° |
| C24 | C31 | C30 | 121.4° | 119.6° |
| C24 | C31 | CL1 | 123.1° | 121.7° |
| C24 | C27 | C28 | 122.7° | 119.6° |
| C24 | C27 | H27 | 118.7° | 120.6° |
| C28 | C27 | H27 | 118.6° | 119.8° |
| C27 | C28 | C29 | 118.4° | 120.0° |
| C27 | C28 | O36 | 116.6° | 120.0° |
| C29 | C28 | O36 | 124.9° | 120.0° |
| C28 | C29 | C30 | 120.8° | 120.0° |
| C28 | C29 | H29 | 119.6° | 120.3° |
| C28 | O36 | C37 | 123.8° | 117.1° |
| C30 | C29 | H29 | 119.6° | 119.7° |
| C29 | C30 | C31 | 120.2° | 120.0° |
| C29 | C30 | H30 | 119.9° | 119.0° |
| C31 | C30 | H30 | 119.9° | 121.0° |
| C30 | C31 | CL1 | 115.4° | 118.6° |
| O36 | C37 | C42 | 114.9° | 108.5° |
| O36 | C37 | C38 | 106.4° | 108.0° |
| O36 | C37 | H37 | 106.5° | 108.0° |
| C42 | C37 | C38 | 104.4° | 111.3° |
| C42 | C37 | H37 | 108.4° | 109.7° |
| C37 | C42 | O44 | 123.4° | 124.8° |
| C37 | C42 | O45 | 112.3° | 112.3° |
| C38 | C37 | H37 | 116.6° | 111.3° |
| C37 | C38 | H381 | 109.5° | 110.9° |
| C37 | C38 | H382 | 109.5° | 110.6° |
| C37 | C38 | H383 | 109.5° | 111.8° |
| H381 | C38 | H382 | 109.4° | 106.8° |
| H381 | C38 | H383 | 109.5° | 108.0° |
| H382 | C38 | H383 | 109.5° | 108.6° |
| O44 | C42 | O45 | 124.3° | 123.0° |
| C42 | O45 | HO45 | 109.5° | 115.2° |
| N46 | O47 | C48 | 109.1° | 109.4° |
| O47 | C48 | C49 | 106.0° | 109.4° |
| O47 | C48 | C50 | 130.8° | 126.3° |
| C49 | C48 | C50 | 123.1° | 124.3° |
| C48 | C49 | C53 | 116.3° | 119.1° |
| C48 | C50 | C51 | 119.8° | 116.0° |
| C48 | C50 | H50 | 120.2° | 121.9° |
| C49 | C53 | C52 | 121.2° | 118.2° |
| C49 | C53 | H53 | 119.4° | 121.6° |
| C51 | C50 | H50 | 120.1° | 122.1° |
| C50 | C51 | C52 | 119.3° | 121.3° |
| C50 | C51 | O57 | 116.5° | 119.2° |
| C52 | C51 | O57 | 124.2° | 119.4° |
| C51 | C52 | C53 | 120.3° | 121.1° |
| C51 | C52 | H52 | 119.8° | 119.9° |
| C51 | O57 | C58 | 119.6° | 117.0° |
| C53 | C52 | H52 | 119.8° | 119.0° |
| C52 | C53 | H53 | 119.4° | 120.2° |
| O57 | C58 | H581 | 109.5° | 109.5° |
| O57 | C58 | H582 | 109.5° | 109.5° |
| O57 | C58 | H583 | 109.4° | 109.0° |
| H581 | C58 | H582 | 109.5° | 110.0° |
| H581 | C58 | H583 | 109.5° | 109.3° |
| H582 | C58 | H583 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 180.0° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C10 | 179.6° | 180.0° |
| C1 | C2 | C3 | C4 | 0.6° | 0.0° |
| C2 | C1 | C6 | C5 | 0.2° | 0.1° |
| C2 | C1 | C6 | O19 | 179.6° | 179.9° |
| C6 | C1 | C2 | C3 | 0.1° | 0.0° |
| C6 | C1 | C2 | H2 | 179.9° | 179.9° |
| C1 | C6 | C5 | C4 | 0.3° | 0.0° |
| C1 | C6 | C5 | O19 | 179.8° | 180.0° |
| C1 | C6 | C5 | H5 | 179.7° | 179.9° |
| C1 | C6 | O19 | C20 | 80.8° | 60.0° |
| H1 | C1 | C2 | C3 | 179.9° | 180.0° |
| H1 | C1 | C2 | H2 | 0.1° | 0.1° |
| H1 | C1 | C6 | C5 | 179.7° | 180.0° |
| H1 | C1 | C6 | O19 | 0.4° | 0.1° |
| C2 | C3 | C10 | C4 | 179.8° | 179.9° |
| C2 | C3 | C4 | N12 | 179.5° | 180.0° |
| C2 | C3 | C4 | C5 | 0.5° | 0.0° |
| C2 | C3 | C10 | C11 | 179.6° | 180.0° |
| C2 | C3 | C10 | C13 | 0.2° | 0.1° |
| H2 | C2 | C3 | C10 | 0.4° | 0.1° |
| H2 | C2 | C3 | C4 | 179.5° | 179.9° |
| C10 | C3 | C4 | N12 | 0.4° | 0.0° |
| C10 | C3 | C4 | C5 | 179.6° | 180.0° |
| C3 | C10 | C11 | C13 | 179.8° | 179.9° |
| C3 | C10 | C11 | C14 | 179.8° | 179.9° |
| C3 | C10 | C11 | N12 | 0.0° | 0.0° |
| C3 | C10 | C13 | N46 | 129.4° | 90.0° |
| C3 | C10 | C13 | C49 | 49.7° | 90.0° |
| C3 | C4 | N12 | C5 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.1° | 0.0° |
| C3 | C4 | C5 | H5 | 179.9° | 179.9° |
| C4 | C3 | C10 | C11 | 0.2° | 0.0° |
| C4 | C3 | C10 | C13 | 179.9° | 180.0° |
| C3 | C4 | N12 | C11 | 0.3° | 0.0° |
| C3 | C4 | N12 | C18 | 179.8° | 179.8° |
| N12 | C4 | C5 | C6 | 179.9° | 180.0° |
| N12 | C4 | C5 | H5 | 0.1° | 0.1° |
| C4 | N12 | C11 | C10 | 0.2° | 0.0° |
| C4 | N12 | C11 | C14 | 180.0° | 179.9° |
| C4 | N12 | C11 | C18 | 179.9° | 179.8° |
| C4 | N12 | C18 | C24 | 89.1° | 90.0° |
| C4 | N12 | C18 | H181 | 30.8° | 147.5° |
| C4 | N12 | C18 | H182 | 153.2° | 32.5° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | O19 | 179.6° | 179.9° |
| C5 | C4 | N12 | C11 | 179.7° | 180.0° |
| C5 | C4 | N12 | C18 | 0.3° | 0.2° |
| C5 | C6 | O19 | C20 | 99.0° | 120.1° |
| H5 | C5 | C6 | O19 | 0.5° | 0.1° |
| C6 | O19 | C20 | F22 | 57.5° | 148.7° |
| C6 | O19 | C20 | F21 | 176.4° | 30.0° |
| C6 | O19 | C20 | F23 | 65.0° | 92.7° |
| C10 | C11 | C14 | N12 | 179.8° | 180.0° |
| C10 | C11 | N12 | C18 | 179.9° | 179.8° |
| C11 | C10 | C13 | N46 | 50.3° | 89.9° |
| C11 | C10 | C13 | C49 | 130.6° | 90.0° |
| C10 | C11 | C14 | H141 | 4.5° | 75.9° |
| C10 | C11 | C14 | H142 | 124.5° | 44.7° |
| C10 | C11 | C14 | H143 | 115.5° | 163.6° |
| C13 | C10 | C11 | C14 | 0.0° | 0.0° |
| C13 | C10 | C11 | N12 | 179.9° | 180.0° |
| C10 | C13 | N46 | C49 | 179.3° | 180.0° |
| C10 | C13 | N46 | O47 | 178.8° | 180.0° |
| C10 | C13 | C49 | C48 | 178.6° | 180.0° |
| C10 | C13 | C49 | C53 | 0.8° | 0.0° |
| C14 | C11 | N12 | C18 | 0.1° | 0.2° |
| C11 | C14 | H141 | H142 | 120.0° | 122.9° |
| C11 | C14 | H141 | H143 | 120.0° | 122.8° |
| C11 | C14 | H142 | H143 | 120.0° | 122.3° |
| N12 | C11 | C14 | H141 | 175.3° | 104.2° |
| N12 | C11 | C14 | H142 | 55.3° | 135.3° |
| N12 | C11 | C14 | H143 | 64.7° | 16.3° |
| C11 | N12 | C18 | C24 | 90.9° | 89.8° |
| C11 | N12 | C18 | H181 | 149.1° | 32.8° |
| C11 | N12 | C18 | H182 | 26.8° | 147.7° |
| N12 | C18 | C24 | H181 | 120.0° | 120.9° |
| N12 | C18 | C24 | H182 | 117.7° | 120.7° |
| N12 | C18 | H181 | H182 | 117.9° | 116.1° |
| N12 | C18 | C24 | C31 | 165.8° | 180.0° |
| N12 | C18 | C24 | C27 | 14.2° | 0.1° |
| C13 | N46 | O47 | C48 | 0.0° | 0.0° |
| N46 | C13 | C49 | C48 | 0.7° | 0.0° |
| N46 | C13 | C49 | C53 | 179.9° | 180.0° |
| C49 | C13 | N46 | O47 | 0.4° | 0.0° |
| C13 | C49 | C48 | O47 | 0.7° | 0.1° |
| C13 | C49 | C48 | C53 | 179.5° | 180.0° |
| C13 | C49 | C48 | C50 | 179.2° | 180.0° |
| C13 | C49 | C53 | C52 | 179.1° | 180.0° |
| C13 | C49 | C53 | H53 | 1.0° | 0.0° |
| H141 | C14 | H142 | H143 | 120.0° | 115.4° |
| C24 | C18 | H181 | H182 | 117.9° | 121.2° |
| C18 | C24 | C31 | C27 | 180.0° | 180.0° |
| C18 | C24 | C27 | C28 | 180.0° | 180.0° |
| C18 | C24 | C27 | H27 | 0.0° | 0.0° |
| C18 | C24 | C31 | C30 | 179.8° | 180.0° |
| C18 | C24 | C31 | CL1 | 0.2° | 0.0° |
| H181 | C18 | C24 | C31 | 45.8° | 59.2° |
| H181 | C18 | C24 | C27 | 134.2° | 120.8° |
| H182 | C18 | C24 | C31 | 76.5° | 59.3° |
| H182 | C18 | C24 | C27 | 103.5° | 120.8° |
| O19 | C20 | F22 | F21 | 116.9° | 120.6° |
| O19 | C20 | F22 | F23 | 121.8° | 120.7° |
| O19 | C20 | F21 | F23 | 118.8° | 123.4° |
| F22 | C20 | F21 | F23 | 122.1° | 117.5° |
| C31 | C24 | C27 | C28 | 0.1° | 0.0° |
| C31 | C24 | C27 | H27 | 179.9° | 180.0° |
| C24 | C31 | C30 | C29 | 0.3° | 0.0° |
| C24 | C31 | C30 | CL1 | 180.0° | 179.9° |
| C24 | C31 | C30 | H30 | 179.7° | 180.0° |
| C24 | C27 | C28 | H27 | 180.0° | 180.0° |
| C24 | C27 | C28 | C29 | 0.2° | 0.0° |
| C24 | C27 | C28 | O36 | 179.0° | 180.0° |
| C27 | C24 | C31 | C30 | 0.3° | 0.0° |
| C27 | C24 | C31 | CL1 | 179.7° | 179.9° |
| C27 | C28 | C29 | O36 | 179.2° | 180.0° |
| C27 | C28 | C29 | C30 | 0.2° | 0.0° |
| C27 | C28 | C29 | H29 | 179.8° | 180.0° |
| C27 | C28 | O36 | C37 | 136.9° | 30.0° |
| H27 | C27 | C28 | C29 | 179.8° | 180.0° |
| H27 | C27 | C28 | O36 | 1.0° | 0.0° |
| C28 | C29 | C30 | H29 | 180.0° | 180.0° |
| C28 | C29 | C30 | C31 | 0.0° | 0.0° |
| C28 | C29 | C30 | H30 | 180.0° | 179.9° |
| C29 | C28 | O36 | C37 | 43.9° | 150.0° |
| O36 | C28 | C29 | C30 | 179.0° | 180.0° |
| O36 | C28 | C29 | H29 | 1.0° | 0.0° |
| C28 | O36 | C37 | C42 | 66.6° | 88.7° |
| C28 | O36 | C37 | C38 | 178.4° | 150.5° |
| C28 | O36 | C37 | H37 | 53.4° | 30.0° |
| C29 | C30 | C31 | H30 | 180.0° | 180.0° |
| C29 | C30 | C31 | CL1 | 179.8° | 179.9° |
| H29 | C29 | C30 | C31 | 180.0° | 180.0° |
| H29 | C29 | C30 | H30 | 0.0° | 0.1° |
| H30 | C30 | C31 | CL1 | 0.2° | 0.0° |
| O36 | C37 | C42 | C38 | 116.2° | 118.7° |
| O36 | C37 | C42 | H37 | 118.9° | 117.7° |
| O36 | C37 | C38 | H37 | 118.6° | 118.4° |
| O36 | C37 | C38 | H381 | 45.4° | 119.0° |
| O36 | C37 | C38 | H382 | 165.4° | 122.7° |
| O36 | C37 | C38 | H383 | 74.6° | 1.6° |
| O36 | C37 | C42 | O44 | 153.5° | 2.3° |
| O36 | C37 | C42 | O45 | 27.0° | 178.7° |
| C42 | C37 | C38 | H37 | 119.5° | 122.7° |
| C42 | C37 | C38 | H381 | 167.4° | 0.0° |
| C42 | C37 | C38 | H382 | 72.7° | 118.3° |
| C42 | C37 | C38 | H383 | 47.3° | 120.6° |
| C37 | C42 | O44 | O45 | 179.4° | 178.8° |
| C37 | C42 | O45 | HO45 | 179.5° | 179.0° |
| C37 | C38 | H381 | H382 | 120.0° | 120.5° |
| C37 | C38 | H381 | H383 | 120.0° | 122.8° |
| C37 | C38 | H382 | H383 | 120.0° | 123.0° |
| C38 | C37 | C42 | O44 | 90.3° | 116.4° |
| C38 | C37 | C42 | O45 | 89.2° | 62.6° |
| H37 | C37 | C38 | H381 | 73.1° | 122.6° |
| H37 | C37 | C38 | H382 | 46.8° | 4.3° |
| H37 | C37 | C38 | H383 | 166.9° | 116.8° |
| H37 | C37 | C42 | O44 | 34.6° | 120.0° |
| H37 | C37 | C42 | O45 | 145.9° | 61.0° |
| H381 | C38 | H382 | H383 | 120.0° | 116.3° |
| O44 | C42 | O45 | HO45 | 0.0° | 0.0° |
| N46 | O47 | C48 | C49 | 0.4° | 0.1° |
| N46 | O47 | C48 | C50 | 179.5° | 180.0° |
| O47 | C48 | C49 | C50 | 179.9° | 179.9° |
| O47 | C48 | C49 | C53 | 179.8° | 180.0° |
| O47 | C48 | C50 | C51 | 179.8° | 179.9° |
| O47 | C48 | C50 | H50 | 0.2° | 0.1° |
| C49 | C48 | C50 | C51 | 0.0° | 0.1° |
| C49 | C48 | C50 | H50 | 180.0° | 180.0° |
| C48 | C49 | C53 | C52 | 0.3° | 0.1° |
| C48 | C49 | C53 | H53 | 179.7° | 179.9° |
| C50 | C48 | C49 | C53 | 0.3° | 0.1° |
| C48 | C50 | C51 | H50 | 180.0° | 179.9° |
| C48 | C50 | C51 | C52 | 0.4° | 0.0° |
| C48 | C50 | C51 | O57 | 179.7° | 180.0° |
| C49 | C53 | C52 | C51 | 0.1° | 0.1° |
| C49 | C53 | C52 | H53 | 180.0° | 180.0° |
| C49 | C53 | C52 | H52 | 179.9° | 180.0° |
| C50 | C51 | C52 | O57 | 179.8° | 180.0° |
| C50 | C51 | C52 | C53 | 0.4° | 0.1° |
| C50 | C51 | C52 | H52 | 179.5° | 180.0° |
| C50 | C51 | O57 | C58 | 62.7° | 0.0° |
| H50 | C50 | C51 | C52 | 179.6° | 180.0° |
| H50 | C50 | C51 | O57 | 0.3° | 0.1° |
| C51 | C52 | C53 | H52 | 180.0° | 179.9° |
| C51 | C52 | C53 | H53 | 180.0° | 179.9° |
| C52 | C51 | O57 | C58 | 117.4° | 180.0° |
| O57 | C51 | C52 | C53 | 179.7° | 180.0° |
| O57 | C51 | C52 | H52 | 0.3° | 0.0° |
| C51 | O57 | C58 | H581 | 79.7° | 118.4° |
| C51 | O57 | C58 | H582 | 40.3° | 2.4° |
| C51 | O57 | C58 | H583 | 160.3° | 122.0° |
| H52 | C52 | C53 | H53 | 0.1° | 0.0° |
| O57 | C58 | H581 | H582 | 120.0° | 120.4° |
| O57 | C58 | H581 | H583 | 119.9° | 119.4° |
| O57 | C58 | H582 | H583 | 120.0° | 119.4° |
| H581 | C58 | H582 | H583 | 120.0° | 120.1° |
