S53
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | doub | 1.32Å | 1.36Å | Aromatic |
| N1 | C6 | sing | 1.32Å | 1.35Å | Aromatic |
| C23 | C2 | sing | 1.51Å | 1.52Å | |
| C2 | C3 | sing | 1.39Å | 1.42Å | Aromatic |
| C3 | C4 | doub | 1.41Å | 1.40Å | Aromatic |
| C3 | N9 | sing | 1.38Å | 1.36Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | C11 | sing | 1.47Å | 1.40Å | Aromatic |
| C6 | C5 | doub | 1.37Å | 1.40Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | N9 | sing | 1.40Å | 1.35Å | |
| N9 | C10 | sing | 1.36Å | 1.33Å | Aromatic |
| C11 | C10 | doub | 1.39Å | 1.37Å | Aromatic |
| C10 | O37 | sing | 1.35Å | 1.37Å | |
| C11 | C52 | sing | 1.46Å | 1.49Å | |
| C13 | C12 | doub | 1.39Å | 1.41Å | Aromatic |
| C12 | C17 | sing | 1.39Å | 1.41Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C24 | C23 | sing | 1.51Å | 1.53Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C31 | C24 | doub | 1.38Å | 1.41Å | Aromatic |
| C27 | C24 | sing | 1.38Å | 1.40Å | Aromatic |
| C28 | C27 | doub | 1.38Å | 1.41Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C29 | C28 | sing | 1.38Å | 1.41Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | C30 | doub | 1.38Å | 1.40Å | Aromatic |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C30 | C31 | sing | 1.38Å | 1.40Å | Aromatic |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| O37 | C38 | sing | 1.36Å | 1.36Å | |
| C38 | C43 | doub | 1.39Å | 1.39Å | Aromatic |
| C38 | C39 | sing | 1.39Å | 1.39Å | Aromatic |
| C39 | C40 | doub | 1.38Å | 1.39Å | Aromatic |
| C39 | H39 | sing | 1.08Å | 1.08Å | |
| C40 | F51 | sing | 1.35Å | 1.34Å | |
| C40 | C41 | sing | 1.39Å | 1.39Å | Aromatic |
| C42 | C41 | doub | 1.38Å | 1.40Å | Aromatic |
| C41 | H41 | sing | 1.08Å | 1.08Å | |
| C43 | C42 | sing | 1.38Å | 1.40Å | Aromatic |
| C42 | H42 | sing | 1.08Å | 1.08Å | |
| C47 | C43 | sing | 1.51Å | 1.51Å | |
| C47 | H47 | sing | 1.09Å | 1.10Å | |
| C47 | H47A | sing | 1.09Å | 1.10Å | |
| C47 | H47B | sing | 1.09Å | 1.10Å | |
| O54 | C52 | doub | 1.22Å | 1.22Å | |
| C52 | N53 | sing | 1.35Å | 1.33Å | |
| N53 | C55 | sing | 1.47Å | 1.46Å | |
| N53 | C59 | sing | 1.47Å | 1.48Å | |
| C55 | C56 | sing | 1.53Å | 1.52Å | |
| C55 | H55 | sing | 1.09Å | 1.10Å | |
| C55 | H55A | sing | 1.09Å | 1.10Å | |
| C56 | N57 | sing | 1.47Å | 1.45Å | |
| C56 | H56 | sing | 1.09Å | 1.10Å | |
| C56 | H56A | sing | 1.09Å | 1.10Å | |
| C58 | N57 | sing | 1.47Å | 1.44Å | |
| N57 | HN57 | sing | 1.01Å | 1.00Å | |
| C59 | C58 | sing | 1.53Å | 1.52Å | |
| C58 | H58 | sing | 1.09Å | 1.10Å | |
| C58 | H58A | sing | 1.09Å | 1.10Å | |
| C59 | H59 | sing | 1.09Å | 1.10Å | |
| C59 | H59A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C6 | 123.6° | 122.5° |
| N1 | C2 | C23 | 115.4° | 119.8° |
| N1 | C2 | C3 | 118.0° | 120.3° |
| N1 | C6 | C5 | 120.4° | 121.1° |
| N1 | C6 | H6 | 119.8° | 119.4° |
| C23 | C2 | C3 | 126.6° | 119.9° |
| C2 | C23 | C24 | 110.1° | 109.5° |
| C2 | C23 | H23 | 109.3° | 109.5° |
| C2 | C23 | H23A | 109.3° | 109.5° |
| C2 | C3 | C4 | 119.2° | 118.4° |
| C2 | C3 | N9 | 134.4° | 133.8° |
| C4 | C3 | N9 | 106.4° | 107.8° |
| C3 | C4 | C5 | 121.0° | 118.8° |
| C3 | C4 | C11 | 107.0° | 106.2° |
| C3 | N9 | C12 | 128.6° | 124.8° |
| C3 | N9 | C10 | 110.6° | 110.4° |
| C5 | C4 | C11 | 132.0° | 135.0° |
| C4 | C5 | C6 | 117.9° | 118.8° |
| C4 | C5 | H5 | 121.1° | 120.6° |
| C4 | C11 | C10 | 107.0° | 106.4° |
| C4 | C11 | C52 | 122.3° | 126.8° |
| C6 | C5 | H5 | 121.1° | 120.6° |
| C5 | C6 | H6 | 119.8° | 119.4° |
| C12 | N9 | C10 | 120.9° | 124.8° |
| N9 | C12 | C13 | 123.6° | 120.1° |
| N9 | C12 | C17 | 120.9° | 120.1° |
| N9 | C10 | C11 | 108.9° | 109.3° |
| N9 | C10 | O37 | 123.1° | 125.3° |
| C11 | C10 | O37 | 127.8° | 125.4° |
| C10 | C11 | C52 | 130.2° | 126.8° |
| C10 | O37 | C38 | 123.8° | 118.0° |
| C11 | C52 | O54 | 113.4° | 119.9° |
| C11 | C52 | N53 | 126.7° | 120.0° |
| C13 | C12 | C17 | 115.6° | 119.9° |
| C12 | C13 | C14 | 122.9° | 119.9° |
| C12 | C13 | H13 | 118.5° | 120.0° |
| C12 | C17 | C16 | 122.3° | 119.9° |
| C12 | C17 | H17 | 118.8° | 120.0° |
| C14 | C13 | H13 | 118.6° | 120.0° |
| C13 | C14 | C15 | 119.6° | 120.1° |
| C13 | C14 | H14 | 120.2° | 120.0° |
| C15 | C14 | H14 | 120.2° | 119.9° |
| C14 | C15 | C16 | 119.4° | 120.1° |
| C14 | C15 | H15 | 120.3° | 120.0° |
| C16 | C15 | H15 | 120.3° | 119.9° |
| C15 | C16 | C17 | 120.3° | 120.1° |
| C15 | C16 | H16 | 119.9° | 120.0° |
| C17 | C16 | H16 | 119.9° | 119.9° |
| C16 | C17 | H17 | 118.9° | 120.1° |
| C24 | C23 | H23 | 109.3° | 109.4° |
| C24 | C23 | H23A | 109.3° | 109.5° |
| C23 | C24 | C31 | 122.0° | 120.0° |
| C23 | C24 | C27 | 119.6° | 120.0° |
| H23 | C23 | H23A | 109.7° | 109.5° |
| C31 | C24 | C27 | 118.4° | 120.0° |
| C24 | C31 | C30 | 121.7° | 120.0° |
| C24 | C31 | H31 | 119.2° | 120.0° |
| C24 | C27 | C28 | 120.3° | 120.0° |
| C24 | C27 | H27 | 119.9° | 120.0° |
| C28 | C27 | H27 | 119.9° | 120.0° |
| C27 | C28 | C29 | 120.8° | 120.0° |
| C27 | C28 | H28 | 119.6° | 120.0° |
| C29 | C28 | H28 | 119.6° | 120.0° |
| C28 | C29 | C30 | 119.0° | 120.0° |
| C28 | C29 | H29 | 120.5° | 120.0° |
| C30 | C29 | H29 | 120.5° | 120.0° |
| C29 | C30 | C31 | 119.9° | 120.0° |
| C29 | C30 | H30 | 120.0° | 120.0° |
| C31 | C30 | H30 | 120.1° | 120.0° |
| C30 | C31 | H31 | 119.1° | 120.1° |
| O37 | C38 | C43 | 119.8° | 120.0° |
| O37 | C38 | C39 | 119.0° | 120.0° |
| C43 | C38 | C39 | 121.1° | 120.0° |
| C38 | C43 | C42 | 119.4° | 119.9° |
| C38 | C43 | C47 | 120.4° | 120.1° |
| C38 | C39 | C40 | 119.4° | 119.9° |
| C38 | C39 | H39 | 120.3° | 120.1° |
| C40 | C39 | H39 | 120.3° | 120.0° |
| C39 | C40 | F51 | 118.6° | 120.0° |
| C39 | C40 | C41 | 120.2° | 120.0° |
| F51 | C40 | C41 | 121.1° | 120.0° |
| C40 | C41 | C42 | 120.2° | 120.1° |
| C40 | C41 | H41 | 119.9° | 119.9° |
| C42 | C41 | H41 | 119.9° | 120.0° |
| C41 | C42 | C43 | 119.7° | 120.1° |
| C41 | C42 | H42 | 120.1° | 120.0° |
| C43 | C42 | H42 | 120.1° | 119.9° |
| C42 | C43 | C47 | 120.2° | 120.0° |
| C43 | C47 | H47 | 109.5° | 109.5° |
| C43 | C47 | H47A | 109.5° | 109.5° |
| C43 | C47 | H47B | 109.5° | 109.4° |
| H47 | C47 | H47A | 109.5° | 109.5° |
| H47 | C47 | H47B | 109.4° | 109.5° |
| H47A | C47 | H47B | 109.5° | 109.4° |
| O54 | C52 | N53 | 120.0° | 120.0° |
| C52 | N53 | C55 | 122.9° | 120.9° |
| C52 | N53 | C59 | 119.3° | 120.9° |
| C55 | N53 | C59 | 117.8° | 118.3° |
| N53 | C55 | C56 | 106.0° | 108.5° |
| N53 | C55 | H55 | 110.6° | 109.6° |
| N53 | C55 | H55A | 110.7° | 109.6° |
| N53 | C59 | C58 | 111.0° | 108.8° |
| N53 | C59 | H59 | 108.9° | 109.6° |
| N53 | C59 | H59A | 108.9° | 109.6° |
| C56 | C55 | H55 | 110.7° | 109.6° |
| C56 | C55 | H55A | 110.7° | 109.6° |
| C55 | C56 | N57 | 111.2° | 109.3° |
| C55 | C56 | H56 | 108.9° | 109.5° |
| C55 | C56 | H56A | 108.9° | 109.5° |
| H55 | C55 | H55A | 108.2° | 109.8° |
| N57 | C56 | H56 | 108.9° | 109.5° |
| N57 | C56 | H56A | 108.9° | 109.5° |
| C56 | N57 | C58 | 118.0° | 111.3° |
| C56 | N57 | HN57 | 106.7° | 111.0° |
| H56 | C56 | H56A | 110.0° | 109.5° |
| C58 | N57 | HN57 | 106.7° | 111.0° |
| N57 | C58 | C59 | 109.8° | 109.4° |
| N57 | C58 | H58 | 109.3° | 109.5° |
| N57 | C58 | H58A | 109.4° | 109.5° |
| C59 | C58 | H58 | 109.4° | 109.6° |
| C59 | C58 | H58A | 109.4° | 109.4° |
| C58 | C59 | H59 | 109.0° | 109.6° |
| C58 | C59 | H59A | 109.0° | 109.4° |
| H58 | C58 | H58A | 109.6° | 109.5° |
| H59 | C59 | H59A | 110.0° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | C23 | C3 | 178.0° | 180.0° |
| N1 | C2 | C3 | C4 | 0.0° | 0.0° |
| N1 | C2 | C3 | N9 | 180.0° | 180.0° |
| C2 | N1 | C6 | C5 | 0.1° | 0.0° |
| C2 | N1 | C6 | H6 | 179.9° | 180.0° |
| N1 | C2 | C23 | C24 | 112.3° | 73.5° |
| N1 | C2 | C23 | H23 | 7.7° | 166.5° |
| N1 | C2 | C23 | H23A | 127.7° | 46.4° |
| C6 | N1 | C2 | C23 | 178.4° | 180.0° |
| C6 | N1 | C2 | C3 | 0.2° | 0.0° |
| N1 | C6 | C5 | C4 | 0.5° | 0.0° |
| N1 | C6 | C5 | H6 | 180.0° | 180.0° |
| N1 | C6 | C5 | H5 | 179.5° | 180.0° |
| C23 | C2 | C3 | C4 | 177.9° | 180.0° |
| C23 | C2 | C3 | N9 | 2.0° | 0.0° |
| C2 | C23 | C24 | H23 | 120.0° | 120.0° |
| C2 | C23 | C24 | H23A | 120.0° | 120.0° |
| C2 | C23 | H23 | H23A | 119.7° | 120.0° |
| C2 | C23 | C24 | C31 | 30.1° | 86.4° |
| C2 | C23 | C24 | C27 | 149.6° | 93.9° |
| C2 | C3 | C4 | N9 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.5° | 0.0° |
| C2 | C3 | C4 | C11 | 179.0° | 180.0° |
| C2 | C3 | N9 | C12 | 0.2° | 0.0° |
| C2 | C3 | N9 | C10 | 178.9° | 180.0° |
| C3 | C2 | C23 | C24 | 65.7° | 106.4° |
| C3 | C2 | C23 | H23 | 174.3° | 13.5° |
| C3 | C2 | C23 | H23A | 54.3° | 133.6° |
| C3 | C4 | C5 | C11 | 178.1° | 180.0° |
| C3 | C4 | C5 | C6 | 0.7° | 0.0° |
| C3 | C4 | C5 | H5 | 179.3° | 180.0° |
| C4 | C3 | N9 | C12 | 179.8° | 180.0° |
| C4 | C3 | N9 | C10 | 1.1° | 0.0° |
| C3 | C4 | C11 | C10 | 2.7° | 0.0° |
| C3 | C4 | C11 | C52 | 175.7° | 179.9° |
| N9 | C3 | C4 | C5 | 179.6° | 180.0° |
| N9 | C3 | C4 | C11 | 1.1° | 0.0° |
| C3 | N9 | C12 | C10 | 179.0° | 180.0° |
| C3 | N9 | C10 | C11 | 2.9° | 0.0° |
| C3 | N9 | C10 | O37 | 179.3° | 179.9° |
| C3 | N9 | C12 | C13 | 113.5° | 75.9° |
| C3 | N9 | C12 | C17 | 67.1° | 103.9° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | H6 | 179.5° | 180.0° |
| C5 | C4 | C11 | C10 | 179.0° | 180.0° |
| C5 | C4 | C11 | C52 | 6.1° | 0.1° |
| C11 | C4 | C5 | C6 | 178.8° | 180.0° |
| C11 | C4 | C5 | H5 | 1.2° | 0.0° |
| C4 | C11 | C10 | N9 | 3.5° | 0.0° |
| C4 | C11 | C10 | C52 | 172.1° | 179.9° |
| C4 | C11 | C10 | O37 | 179.7° | 179.9° |
| C4 | C11 | C52 | O54 | 110.8° | 85.8° |
| C4 | C11 | C52 | N53 | 68.3° | 94.2° |
| H5 | C5 | C6 | H6 | 0.5° | 0.0° |
| C12 | N9 | C10 | C11 | 177.9° | 180.0° |
| C12 | N9 | C10 | O37 | 1.5° | 0.0° |
| N9 | C12 | C13 | C17 | 179.4° | 179.8° |
| N9 | C12 | C13 | C14 | 179.8° | 180.0° |
| N9 | C12 | C13 | H13 | 0.2° | 0.0° |
| N9 | C12 | C17 | C16 | 179.7° | 179.7° |
| N9 | C12 | C17 | H17 | 0.3° | 0.0° |
| N9 | C10 | C11 | O37 | 176.2° | 179.9° |
| N9 | C10 | C11 | C52 | 175.6° | 179.9° |
| C10 | N9 | C12 | C13 | 65.5° | 104.0° |
| C10 | N9 | C12 | C17 | 113.9° | 76.2° |
| N9 | C10 | O37 | C38 | 143.5° | 90.8° |
| C11 | C10 | O37 | C38 | 32.2° | 89.1° |
| C10 | C11 | C52 | O54 | 60.3° | 94.3° |
| C10 | C11 | C52 | N53 | 120.6° | 85.7° |
| O37 | C10 | C11 | C52 | 8.2° | 0.1° |
| C10 | O37 | C38 | C43 | 119.6° | 175.9° |
| C10 | O37 | C38 | C39 | 59.6° | 4.4° |
| C11 | C52 | O54 | N53 | 179.2° | 180.0° |
| C11 | C52 | N53 | C55 | 0.4° | 177.8° |
| C11 | C52 | N53 | C59 | 179.0° | 1.9° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.3° | 0.1° |
| C12 | C13 | C14 | H14 | 179.7° | 179.9° |
| C13 | C12 | C17 | C16 | 0.8° | 0.5° |
| C13 | C12 | C17 | H17 | 179.2° | 179.8° |
| C17 | C12 | C13 | C14 | 0.4° | 0.2° |
| C17 | C12 | C13 | H13 | 179.6° | 179.8° |
| C12 | C17 | C16 | C15 | 0.7° | 0.6° |
| C12 | C17 | C16 | H17 | 180.0° | 179.7° |
| C12 | C17 | C16 | H16 | 179.3° | 179.8° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.5° | 0.0° |
| C13 | C14 | C15 | H15 | 179.6° | 180.0° |
| H13 | C13 | C14 | C15 | 179.7° | 180.0° |
| H13 | C13 | C14 | H14 | 0.3° | 0.0° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.0° | 0.3° |
| C14 | C15 | C16 | H16 | 180.0° | 180.0° |
| H14 | C14 | C15 | C16 | 179.5° | 180.0° |
| H14 | C14 | C15 | H15 | 0.4° | 0.0° |
| C15 | C16 | C17 | H16 | 180.0° | 179.6° |
| C15 | C16 | C17 | H17 | 179.3° | 179.7° |
| H15 | C15 | C16 | C17 | 180.0° | 179.7° |
| H15 | C15 | C16 | H16 | 0.0° | 0.1° |
| H16 | C16 | C17 | H17 | 0.7° | 0.1° |
| C24 | C23 | H23 | H23A | 119.8° | 120.0° |
| C23 | C24 | C31 | C27 | 179.7° | 179.7° |
| C23 | C24 | C27 | C28 | 179.4° | 180.0° |
| C23 | C24 | C27 | H27 | 0.6° | 0.0° |
| C23 | C24 | C31 | C30 | 179.4° | 179.7° |
| C23 | C24 | C31 | H31 | 0.6° | 0.3° |
| H23 | C23 | C24 | C31 | 89.9° | 153.6° |
| H23 | C23 | C24 | C27 | 90.4° | 26.1° |
| H23A | C23 | C24 | C31 | 150.0° | 33.6° |
| H23A | C23 | C24 | C27 | 29.7° | 146.1° |
| C31 | C24 | C27 | C28 | 0.3° | 0.3° |
| C31 | C24 | C27 | H27 | 179.7° | 179.7° |
| C24 | C31 | C30 | C29 | 0.2° | 0.6° |
| C24 | C31 | C30 | H31 | 180.0° | 179.4° |
| C24 | C31 | C30 | H30 | 179.8° | 179.7° |
| C24 | C27 | C28 | H27 | 180.0° | 179.9° |
| C24 | C27 | C28 | C29 | 0.1° | 0.0° |
| C24 | C27 | C28 | H28 | 179.9° | 180.0° |
| C27 | C24 | C31 | C30 | 0.3° | 0.6° |
| C27 | C24 | C31 | H31 | 179.7° | 180.0° |
| C27 | C28 | C29 | H28 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 0.1° | 0.0° |
| C27 | C28 | C29 | H29 | 179.9° | 180.0° |
| H27 | C27 | C28 | C29 | 179.9° | 180.0° |
| H27 | C27 | C28 | H28 | 0.1° | 0.1° |
| C28 | C29 | C30 | H29 | 180.0° | 179.9° |
| C28 | C29 | C30 | C31 | 0.0° | 0.3° |
| C28 | C29 | C30 | H30 | 180.0° | 180.0° |
| H28 | C28 | C29 | C30 | 179.9° | 180.0° |
| H28 | C28 | C29 | H29 | 0.1° | 0.1° |
| C29 | C30 | C31 | H30 | 180.0° | 179.7° |
| C29 | C30 | C31 | H31 | 179.8° | 180.0° |
| H29 | C29 | C30 | C31 | 180.0° | 179.7° |
| H29 | C29 | C30 | H30 | 0.0° | 0.0° |
| H30 | C30 | C31 | H31 | 0.2° | 0.3° |
| O37 | C38 | C43 | C39 | 179.2° | 179.7° |
| O37 | C38 | C39 | C40 | 179.2° | 180.0° |
| O37 | C38 | C39 | H39 | 0.8° | 0.1° |
| O37 | C38 | C43 | C42 | 179.2° | 179.8° |
| O37 | C38 | C43 | C47 | 0.9° | 0.0° |
| C43 | C38 | C39 | C40 | 0.0° | 0.3° |
| C43 | C38 | C39 | H39 | 180.0° | 179.8° |
| C38 | C43 | C42 | C41 | 0.2° | 0.5° |
| C38 | C43 | C42 | C47 | 179.9° | 179.7° |
| C38 | C43 | C42 | H42 | 179.8° | 179.7° |
| C38 | C43 | C47 | H47 | 89.9° | 90.0° |
| C38 | C43 | C47 | H47A | 150.1° | 150.0° |
| C38 | C43 | C47 | H47B | 30.0° | 30.0° |
| C38 | C39 | C40 | H39 | 180.0° | 179.9° |
| C38 | C39 | C40 | F51 | 179.7° | 179.9° |
| C38 | C39 | C40 | C41 | 0.1° | 0.0° |
| C39 | C38 | C43 | C42 | 0.1° | 0.5° |
| C39 | C38 | C43 | C47 | 180.0° | 179.7° |
| C39 | C40 | F51 | C41 | 179.5° | 179.9° |
| C39 | C40 | C41 | C42 | 0.3° | 0.1° |
| C39 | C40 | C41 | H41 | 179.7° | 180.0° |
| H39 | C39 | C40 | F51 | 0.3° | 0.0° |
| H39 | C39 | C40 | C41 | 179.8° | 179.9° |
| F51 | C40 | C41 | C42 | 179.8° | 180.0° |
| F51 | C40 | C41 | H41 | 0.2° | 0.1° |
| C40 | C41 | C42 | H41 | 180.0° | 179.9° |
| C40 | C41 | C42 | C43 | 0.4° | 0.2° |
| C40 | C41 | C42 | H42 | 179.6° | 180.0° |
| C41 | C42 | C43 | H42 | 180.0° | 179.8° |
| C41 | C42 | C43 | C47 | 179.9° | 179.7° |
| H41 | C41 | C42 | C43 | 179.7° | 179.7° |
| H41 | C41 | C42 | H42 | 0.3° | 0.0° |
| C42 | C43 | C47 | H47 | 90.0° | 89.7° |
| C42 | C43 | C47 | H47A | 30.0° | 30.3° |
| C42 | C43 | C47 | H47B | 150.1° | 150.2° |
| H42 | C42 | C43 | C47 | 0.1° | 0.0° |
| C43 | C47 | H47 | H47A | 120.0° | 120.0° |
| C43 | C47 | H47 | H47B | 120.0° | 120.0° |
| C43 | C47 | H47A | H47B | 120.0° | 119.9° |
| H47 | C47 | H47A | H47B | 120.0° | 120.1° |
| O54 | C52 | N53 | C55 | 179.4° | 2.2° |
| O54 | C52 | N53 | C59 | 0.1° | 178.1° |
| C52 | N53 | C55 | C59 | 179.4° | 179.7° |
| C52 | N53 | C55 | C56 | 125.0° | 128.8° |
| C52 | N53 | C55 | H55 | 4.9° | 111.5° |
| C52 | N53 | C55 | H55A | 115.0° | 9.1° |
| C52 | N53 | C59 | C58 | 128.2° | 128.9° |
| C52 | N53 | C59 | H59 | 111.8° | 9.1° |
| C52 | N53 | C59 | H59A | 8.2° | 111.5° |
| N53 | C55 | C56 | H55 | 120.0° | 119.7° |
| N53 | C55 | C56 | H55A | 120.0° | 119.7° |
| N53 | C55 | H55 | H55A | 121.4° | 120.5° |
| N53 | C55 | C56 | N57 | 53.9° | 53.8° |
| N53 | C55 | C56 | H56 | 66.1° | 173.8° |
| N53 | C55 | C56 | H56A | 174.0° | 66.1° |
| C55 | N53 | C59 | C58 | 52.4° | 50.8° |
| C55 | N53 | C59 | H59 | 67.6° | 170.6° |
| C55 | N53 | C59 | H59A | 172.4° | 68.7° |
| C59 | N53 | C55 | C56 | 55.7° | 50.9° |
| C59 | N53 | C55 | H55 | 175.7° | 68.8° |
| C59 | N53 | C55 | H55A | 64.3° | 170.6° |
| N53 | C59 | C58 | N57 | 44.3° | 53.6° |
| N53 | C59 | C58 | H59 | 120.0° | 119.8° |
| N53 | C59 | C58 | H59A | 120.0° | 119.7° |
| N53 | C59 | C58 | H58 | 75.7° | 173.6° |
| N53 | C59 | C58 | H58A | 164.4° | 66.3° |
| N53 | C59 | H59 | H59A | 119.4° | 120.5° |
| C56 | C55 | H55 | H55A | 121.4° | 120.5° |
| C55 | C56 | N57 | H56 | 120.0° | 120.0° |
| C55 | C56 | N57 | H56A | 120.0° | 120.0° |
| C55 | C56 | H56 | H56A | 119.3° | 120.1° |
| C55 | C56 | N57 | C58 | 56.7° | 63.1° |
| C55 | C56 | N57 | HN57 | 176.7° | 61.0° |
| H55 | C55 | C56 | N57 | 173.9° | 65.9° |
| H55 | C55 | C56 | H56 | 53.9° | 54.1° |
| H55 | C55 | C56 | H56A | 66.0° | 174.2° |
| H55A | C55 | C56 | N57 | 66.1° | 173.5° |
| H55A | C55 | C56 | H56 | 173.9° | 66.5° |
| H55A | C55 | C56 | H56A | 54.0° | 53.6° |
| N57 | C56 | H56 | H56A | 119.3° | 120.0° |
| C56 | N57 | C58 | HN57 | 120.0° | 124.1° |
| C56 | N57 | C58 | C59 | 50.1° | 63.0° |
| C56 | N57 | C58 | H58 | 69.9° | 176.9° |
| C56 | N57 | C58 | H58A | 170.2° | 56.9° |
| H56 | C56 | N57 | C58 | 63.3° | 176.9° |
| H56 | C56 | N57 | HN57 | 56.7° | 58.9° |
| H56A | C56 | N57 | C58 | 176.7° | 56.9° |
| H56A | C56 | N57 | HN57 | 63.3° | 179.0° |
| N57 | C58 | C59 | H58 | 120.0° | 120.1° |
| N57 | C58 | C59 | H58A | 120.0° | 119.9° |
| N57 | C58 | H58 | H58A | 119.9° | 120.0° |
| N57 | C58 | C59 | H59 | 75.6° | 173.4° |
| N57 | C58 | C59 | H59A | 164.3° | 66.2° |
| HN57 | N57 | C58 | C59 | 170.1° | 61.2° |
| HN57 | N57 | C58 | H58 | 50.1° | 58.9° |
| HN57 | N57 | C58 | H58A | 69.8° | 179.0° |
| C59 | C58 | H58 | H58A | 119.9° | 120.0° |
| C58 | C59 | H59 | H59A | 119.4° | 120.2° |
| H58 | C58 | C59 | H59 | 164.4° | 66.6° |
| H58 | C58 | C59 | H59A | 44.3° | 53.9° |
| H58A | C58 | C59 | H59 | 44.4° | 53.5° |
| H58A | C58 | C59 | H59A | 75.6° | 173.9° |
