A49
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C13 | doub | 1.21Å | 1.23Å | |
| N1 | C13 | sing | 1.35Å | 1.29Å | |
| C13 | C31 | sing | 1.51Å | 1.51Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| N1 | HN1A | sing | 0.97Å | 1.00Å | |
| C12 | C31 | sing | 1.53Å | 1.52Å | |
| C26 | C31 | sing | 1.53Å | 1.50Å | |
| C31 | C10 | sing | 1.53Å | 1.51Å | |
| C12 | C10 | sing | 1.53Å | 1.54Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C26 | N2 | sing | 1.47Å | 1.48Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C19 | N2 | sing | 1.47Å | 1.48Å | |
| N2 | C17 | sing | 1.47Å | 1.52Å | |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C14 | C16 | sing | 1.53Å | 1.53Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C19 | C20 | sing | 1.53Å | 1.50Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C20 | C14 | sing | 1.53Å | 1.56Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C14 | N12 | sing | 1.46Å | 1.45Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| N12 | C15 | sing | 1.46Å | 1.51Å | |
| N12 | C11 | sing | 1.35Å | 1.42Å | |
| C25 | C15 | sing | 1.53Å | 1.54Å | |
| C15 | C24 | sing | 1.53Å | 1.53Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C25 | C24 | sing | 1.53Å | 1.51Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C4 | C11 | sing | 1.48Å | 1.50Å | |
| C11 | O13 | doub | 1.22Å | 1.23Å | |
| C5 | C4 | doub | 1.40Å | 1.41Å | Aromatic |
| C4 | C3 | sing | 1.40Å | 1.39Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C1 | C2 | sing | 1.38Å | 1.42Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | C5 | sing | 1.38Å | 1.37Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | C1 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | C1 | sing | 1.51Å | 1.51Å | |
| O10 | C7 | sing | 1.43Å | 1.44Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| C7 | C9 | sing | 1.53Å | 1.52Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C9 | H9B | sing | 1.09Å | 1.10Å | |
| O10 | HO10 | sing | 0.97Å | 0.95Å | |
| F21 | C8 | sing | 1.40Å | 1.31Å | |
| F23 | C8 | sing | 1.40Å | 1.30Å | |
| C8 | F22 | sing | 1.40Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C13 | N1 | 121.0° | 120.0° |
| O1 | C13 | C31 | 120.9° | 120.0° |
| N1 | C13 | C31 | 117.9° | 120.0° |
| C13 | N1 | HN1 | 112.9° | 120.0° |
| C13 | N1 | HN1A | 123.5° | 120.0° |
| C13 | C31 | C12 | 114.4° | 117.5° |
| C13 | C31 | C26 | 118.2° | 115.5° |
| C13 | C31 | C10 | 118.1° | 117.5° |
| HN1 | N1 | HN1A | 123.5° | 120.0° |
| C12 | C31 | C26 | 110.6° | 117.5° |
| C12 | C31 | C10 | 60.9° | 60.0° |
| C31 | C12 | C10 | 59.0° | 60.0° |
| C31 | C12 | H12 | 131.5° | 117.5° |
| C31 | C12 | H12A | 136.5° | 117.4° |
| C26 | C31 | C10 | 119.9° | 117.5° |
| C31 | C26 | N2 | 111.0° | 109.5° |
| C31 | C26 | H26 | 109.0° | 109.5° |
| C31 | C26 | H26A | 108.6° | 109.5° |
| C31 | C10 | C12 | 60.1° | 60.0° |
| C31 | C10 | H10 | 130.8° | 117.5° |
| C31 | C10 | H10A | 136.0° | 117.5° |
| C12 | C10 | H10 | 130.8° | 117.5° |
| C12 | C10 | H10A | 136.0° | 117.5° |
| C10 | C12 | H12 | 131.5° | 117.5° |
| C10 | C12 | H12A | 136.5° | 117.5° |
| H10 | C10 | H10A | 74.8° | 115.5° |
| H12 | C12 | H12A | 74.0° | 115.6° |
| N2 | C26 | H26 | 109.0° | 109.4° |
| N2 | C26 | H26A | 108.6° | 109.4° |
| C26 | N2 | C19 | 106.1° | 111.0° |
| C26 | N2 | C17 | 111.3° | 111.0° |
| H26 | C26 | H26A | 110.7° | 109.5° |
| C19 | N2 | C17 | 109.6° | 111.2° |
| N2 | C19 | C20 | 109.5° | 109.5° |
| N2 | C19 | H19 | 109.5° | 109.5° |
| N2 | C19 | H19A | 109.5° | 109.4° |
| N2 | C17 | C16 | 106.4° | 109.5° |
| N2 | C17 | H17 | 110.5° | 109.5° |
| N2 | C17 | H17A | 111.2° | 109.5° |
| C16 | C17 | H17 | 110.5° | 109.5° |
| C16 | C17 | H17A | 111.2° | 109.4° |
| C17 | C16 | C14 | 104.7° | 109.3° |
| C17 | C16 | H16 | 111.1° | 109.5° |
| C17 | C16 | H16A | 112.1° | 109.5° |
| H17 | C17 | H17A | 107.1° | 109.5° |
| C14 | C16 | H16 | 111.1° | 109.5° |
| C14 | C16 | H16A | 112.1° | 109.5° |
| C16 | C14 | C20 | 114.8° | 109.2° |
| C16 | C14 | N12 | 116.9° | 109.6° |
| C16 | C14 | H14 | 98.4° | 109.5° |
| H16 | C16 | H16A | 105.9° | 109.5° |
| C20 | C19 | H19 | 109.5° | 109.5° |
| C20 | C19 | H19A | 109.4° | 109.5° |
| C19 | C20 | C14 | 109.2° | 109.3° |
| C19 | C20 | H20 | 109.6° | 109.5° |
| C19 | C20 | H20A | 109.7° | 109.5° |
| H19 | C19 | H19A | 109.5° | 109.5° |
| C14 | C20 | H20 | 109.6° | 109.5° |
| C14 | C20 | H20A | 109.6° | 109.5° |
| C20 | C14 | N12 | 104.2° | 109.5° |
| C20 | C14 | H14 | 112.5° | 109.5° |
| H20 | C20 | H20A | 109.3° | 109.6° |
| N12 | C14 | H14 | 110.2° | 109.5° |
| C14 | N12 | C15 | 118.3° | 120.0° |
| C14 | N12 | C11 | 110.7° | 120.0° |
| C15 | N12 | C11 | 119.0° | 120.0° |
| N12 | C15 | C25 | 108.2° | 117.5° |
| N12 | C15 | C24 | 109.9° | 117.5° |
| N12 | C15 | H15 | 102.2° | 115.6° |
| N12 | C11 | C4 | 122.3° | 120.0° |
| N12 | C11 | O13 | 119.9° | 120.0° |
| C25 | C15 | C24 | 58.9° | 60.0° |
| C25 | C15 | H15 | 136.8° | 117.5° |
| C15 | C25 | C24 | 60.3° | 60.0° |
| C15 | C25 | H25 | 130.7° | 117.5° |
| C15 | C25 | H25A | 135.8° | 117.5° |
| C24 | C15 | H15 | 135.4° | 117.5° |
| C15 | C24 | C25 | 60.9° | 60.0° |
| C15 | C24 | H24 | 130.4° | 117.5° |
| C15 | C24 | H24A | 135.5° | 117.5° |
| C24 | C25 | H25 | 130.7° | 117.5° |
| C24 | C25 | H25A | 135.8° | 117.5° |
| C25 | C24 | H24 | 130.4° | 117.5° |
| C25 | C24 | H24A | 135.5° | 117.5° |
| H25 | C25 | H25A | 75.0° | 115.6° |
| H24 | C24 | H24A | 75.4° | 115.5° |
| C4 | C11 | O13 | 116.8° | 120.0° |
| C11 | C4 | C5 | 115.0° | 120.1° |
| C11 | C4 | C3 | 123.8° | 120.2° |
| C5 | C4 | C3 | 121.0° | 119.7° |
| C4 | C5 | C6 | 119.8° | 119.8° |
| C4 | C5 | H5 | 120.1° | 120.0° |
| C4 | C3 | C2 | 120.4° | 119.9° |
| C4 | C3 | H3 | 119.8° | 120.0° |
| C2 | C3 | H3 | 119.8° | 120.1° |
| C3 | C2 | C1 | 117.4° | 120.1° |
| C3 | C2 | H2 | 121.3° | 119.9° |
| C1 | C2 | H2 | 121.3° | 119.9° |
| C2 | C1 | C6 | 122.2° | 120.3° |
| C2 | C1 | C7 | 120.9° | 119.8° |
| C6 | C5 | H5 | 120.1° | 120.1° |
| C5 | C6 | C1 | 119.2° | 120.2° |
| C5 | C6 | H6 | 120.4° | 119.9° |
| C1 | C6 | H6 | 120.4° | 119.9° |
| C6 | C1 | C7 | 116.9° | 119.9° |
| C1 | C7 | O10 | 110.0° | 109.5° |
| C1 | C7 | C8 | 108.3° | 109.4° |
| C1 | C7 | C9 | 110.9° | 109.5° |
| O10 | C7 | C8 | 106.0° | 109.5° |
| O10 | C7 | C9 | 110.2° | 109.5° |
| C7 | O10 | HO10 | 109.5° | 114.0° |
| C8 | C7 | C9 | 111.3° | 109.5° |
| C7 | C8 | F21 | 109.3° | 109.5° |
| C7 | C8 | F23 | 102.2° | 109.5° |
| C7 | C8 | F22 | 114.0° | 109.5° |
| C7 | C9 | H9 | 109.5° | 109.5° |
| C7 | C9 | H9A | 109.4° | 109.5° |
| C7 | C9 | H9B | 109.5° | 109.5° |
| H9 | C9 | H9A | 109.5° | 109.5° |
| H9 | C9 | H9B | 109.5° | 109.4° |
| H9A | C9 | H9B | 109.5° | 109.4° |
| F21 | C8 | F23 | 111.2° | 109.4° |
| F21 | C8 | F22 | 107.2° | 109.4° |
| F23 | C8 | F22 | 112.9° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C13 | N1 | C31 | 175.0° | 179.7° |
| O1 | C13 | N1 | HN1 | 180.0° | 30.1° |
| O1 | C13 | N1 | HN1A | 0.0° | 149.8° |
| O1 | C13 | C31 | C12 | 150.9° | 53.9° |
| O1 | C13 | C31 | C26 | 17.9° | 91.8° |
| O1 | C13 | C31 | C10 | 140.3° | 122.5° |
| C13 | N1 | HN1 | HN1A | 180.0° | 179.9° |
| N1 | C13 | C31 | C12 | 34.0° | 125.8° |
| N1 | C13 | C31 | C26 | 167.1° | 88.5° |
| N1 | C13 | C31 | C10 | 34.7° | 57.2° |
| C31 | C13 | N1 | HN1 | 5.0° | 150.2° |
| C31 | C13 | N1 | HN1A | 175.0° | 29.9° |
| C13 | C31 | C12 | C26 | 136.6° | 145.0° |
| C13 | C31 | C12 | C10 | 109.9° | 107.5° |
| C13 | C31 | C26 | C10 | 157.8° | 145.6° |
| C13 | C31 | C10 | H10 | 136.2° | 145.0° |
| C13 | C31 | C10 | H10A | 22.9° | 0.0° |
| C13 | C31 | C12 | H12 | 10.2° | 0.0° |
| C13 | C31 | C12 | H12A | 123.5° | 145.0° |
| C13 | C31 | C26 | N2 | 61.3° | 64.6° |
| C13 | C31 | C26 | H26 | 178.7° | 55.3° |
| C13 | C31 | C26 | H26A | 58.1° | 175.4° |
| C12 | C31 | C26 | C10 | 67.5° | 68.6° |
| C31 | C12 | C10 | H12 | 120.0° | 107.5° |
| C31 | C12 | C10 | H12A | 126.6° | 107.4° |
| C31 | C12 | C10 | H10 | 120.0° | 107.5° |
| C31 | C12 | C10 | H10A | 126.7° | 107.5° |
| C31 | C12 | H12 | H12A | 138.9° | 145.7° |
| C12 | C31 | C26 | N2 | 164.0° | 81.1° |
| C12 | C31 | C26 | H26 | 44.0° | 158.9° |
| C12 | C31 | C26 | H26A | 76.6° | 38.9° |
| C26 | C31 | C10 | H10 | 21.7° | 0.0° |
| C26 | C31 | C10 | H10A | 135.0° | 144.9° |
| C26 | C31 | C12 | H12 | 126.4° | 145.0° |
| C26 | C31 | C12 | H12A | 13.1° | 0.0° |
| C31 | C26 | N2 | H26 | 120.0° | 120.0° |
| C31 | C26 | N2 | H26A | 119.3° | 120.0° |
| C31 | C26 | H26 | H26A | 119.3° | 120.1° |
| C31 | C26 | N2 | C19 | 174.5° | 24.8° |
| C31 | C26 | N2 | C17 | 66.3° | 149.0° |
| C31 | C10 | H10 | H10A | 138.6° | 145.7° |
| C10 | C31 | C26 | N2 | 96.6° | 149.7° |
| C10 | C31 | C26 | H26 | 23.5° | 90.3° |
| C10 | C31 | C26 | H26A | 144.1° | 29.8° |
| C12 | C10 | H10 | H10A | 138.6° | 145.6° |
| C10 | C12 | H12 | H12A | 138.9° | 145.7° |
| H10 | C10 | C12 | H12 | 120.0° | 145.0° |
| H10 | C10 | C12 | H12A | 6.6° | 0.1° |
| H10A | C10 | C12 | H12 | 6.7° | 0.0° |
| H10A | C10 | C12 | H12A | 106.6° | 145.1° |
| N2 | C26 | H26 | H26A | 119.4° | 119.9° |
| C26 | N2 | C19 | C17 | 120.3° | 124.0° |
| C26 | N2 | C17 | C16 | 171.4° | 174.2° |
| C26 | N2 | C17 | H17 | 51.4° | 54.2° |
| C26 | N2 | C17 | H17A | 67.4° | 65.8° |
| C26 | N2 | C19 | C20 | 174.8° | 174.2° |
| C26 | N2 | C19 | H19 | 65.3° | 65.8° |
| C26 | N2 | C19 | H19A | 54.8° | 54.2° |
| H26 | C26 | N2 | C19 | 65.5° | 144.9° |
| H26 | C26 | N2 | C17 | 53.7° | 91.0° |
| H26A | C26 | N2 | C19 | 55.2° | 95.2° |
| H26A | C26 | N2 | C17 | 174.4° | 29.0° |
| C19 | N2 | C17 | C16 | 71.5° | 61.8° |
| C19 | N2 | C17 | H17 | 168.5° | 178.2° |
| C19 | N2 | C17 | H17A | 49.7° | 58.2° |
| N2 | C19 | C20 | H19 | 120.0° | 120.0° |
| N2 | C19 | C20 | H19A | 120.0° | 119.9° |
| N2 | C19 | H19 | H19A | 120.0° | 119.9° |
| N2 | C19 | C20 | C14 | 52.7° | 59.2° |
| N2 | C19 | C20 | H20 | 172.7° | 179.1° |
| N2 | C19 | C20 | H20A | 67.4° | 60.7° |
| N2 | C17 | C16 | H17 | 120.0° | 120.0° |
| N2 | C17 | C16 | H17A | 121.2° | 120.0° |
| N2 | C17 | H17 | H17A | 121.2° | 120.0° |
| N2 | C17 | C16 | C14 | 64.0° | 59.2° |
| N2 | C17 | C16 | H16 | 56.0° | 60.8° |
| N2 | C17 | C16 | H16A | 174.2° | 179.2° |
| C17 | N2 | C19 | C20 | 64.9° | 61.8° |
| C17 | N2 | C19 | H19 | 55.1° | 58.2° |
| C17 | N2 | C19 | H19A | 175.1° | 178.2° |
| C16 | C17 | H17 | H17A | 121.2° | 120.0° |
| C17 | C16 | C14 | H16 | 120.0° | 120.0° |
| C17 | C16 | C14 | H16A | 121.8° | 120.0° |
| C17 | C16 | H16 | H16A | 121.9° | 120.1° |
| C17 | C16 | C14 | C20 | 57.2° | 57.7° |
| C17 | C16 | C14 | N12 | 179.8° | 177.6° |
| C17 | C16 | C14 | H14 | 62.5° | 62.2° |
| H17 | C17 | C16 | C14 | 176.1° | 179.2° |
| H17 | C17 | C16 | H16 | 64.0° | 59.2° |
| H17 | C17 | C16 | H16A | 54.3° | 60.8° |
| H17A | C17 | C16 | C14 | 57.2° | 60.8° |
| H17A | C17 | C16 | H16 | 177.2° | 179.2° |
| H17A | C17 | C16 | H16A | 64.6° | 59.2° |
| C14 | C16 | H16 | H16A | 122.0° | 120.1° |
| C16 | C14 | C20 | C19 | 51.8° | 57.7° |
| C16 | C14 | C20 | N12 | 129.2° | 120.0° |
| C16 | C14 | C20 | H14 | 111.4° | 119.9° |
| C16 | C14 | C20 | H20 | 171.8° | 177.6° |
| C16 | C14 | C20 | H20A | 68.3° | 62.3° |
| C16 | C14 | N12 | H14 | 111.1° | 120.1° |
| C16 | C14 | N12 | C15 | 28.1° | 103.8° |
| C16 | C14 | N12 | C11 | 114.2° | 76.2° |
| H16 | C16 | C14 | C20 | 62.8° | 62.3° |
| H16 | C16 | C14 | N12 | 59.8° | 57.6° |
| H16 | C16 | C14 | H14 | 177.6° | 177.8° |
| H16A | C16 | C14 | C20 | 179.0° | 177.6° |
| H16A | C16 | C14 | N12 | 58.5° | 62.5° |
| H16A | C16 | C14 | H14 | 59.3° | 57.7° |
| C20 | C19 | H19 | H19A | 120.0° | 120.0° |
| C19 | C20 | C14 | H20 | 120.0° | 119.9° |
| C19 | C20 | C14 | H20A | 120.1° | 119.9° |
| C19 | C20 | H20 | H20A | 120.1° | 120.1° |
| C19 | C20 | C14 | N12 | 179.0° | 177.6° |
| C19 | C20 | C14 | H14 | 59.6° | 62.2° |
| H19 | C19 | C20 | C14 | 67.3° | 60.8° |
| H19 | C19 | C20 | H20 | 52.7° | 59.1° |
| H19 | C19 | C20 | H20A | 172.6° | 179.2° |
| H19A | C19 | C20 | C14 | 172.7° | 179.1° |
| H19A | C19 | C20 | H20 | 67.3° | 60.9° |
| H19A | C19 | C20 | H20A | 52.6° | 59.2° |
| C14 | C20 | H20 | H20A | 120.1° | 120.1° |
| C20 | C14 | N12 | H14 | 121.0° | 120.1° |
| C20 | C14 | N12 | C15 | 99.8° | 136.5° |
| C20 | C14 | N12 | C11 | 117.9° | 43.6° |
| H20 | C20 | C14 | N12 | 59.0° | 62.5° |
| H20 | C20 | C14 | H14 | 60.4° | 57.7° |
| H20A | C20 | C14 | N12 | 60.9° | 57.7° |
| H20A | C20 | C14 | H14 | 179.7° | 177.8° |
| C14 | N12 | C15 | C11 | 139.2° | 180.0° |
| C14 | N12 | C15 | C25 | 88.0° | 137.5° |
| C14 | N12 | C15 | C24 | 150.7° | 153.9° |
| C14 | N12 | C15 | H15 | 60.8° | 8.2° |
| C14 | N12 | C11 | C4 | 37.5° | 33.5° |
| C14 | N12 | C11 | O13 | 154.7° | 146.6° |
| H14 | C14 | N12 | C15 | 139.3° | 16.3° |
| H14 | C14 | N12 | C11 | 3.1° | 163.7° |
| N12 | C15 | C25 | C24 | 102.8° | 107.5° |
| N12 | C15 | C25 | H15 | 132.4° | 145.0° |
| N12 | C15 | C24 | H15 | 133.3° | 145.0° |
| N12 | C15 | C25 | H25 | 17.2° | 0.1° |
| N12 | C15 | C25 | H25A | 130.6° | 145.0° |
| N12 | C15 | C24 | H24 | 140.3° | 145.0° |
| N12 | C15 | C24 | H24A | 27.0° | 0.0° |
| C15 | N12 | C11 | C4 | 179.6° | 146.5° |
| C15 | N12 | C11 | O13 | 12.7° | 33.5° |
| C11 | N12 | C15 | C25 | 132.8° | 42.4° |
| C11 | N12 | C15 | C24 | 70.1° | 26.2° |
| C11 | N12 | C15 | H15 | 78.4° | 171.9° |
| N12 | C11 | C4 | O13 | 168.1° | 180.0° |
| N12 | C11 | C4 | C5 | 68.3° | 30.1° |
| N12 | C11 | C4 | C3 | 116.2° | 150.2° |
| C25 | C15 | C24 | H15 | 127.0° | 107.5° |
| C15 | C25 | C24 | H25 | 120.0° | 107.5° |
| C15 | C25 | C24 | H25A | 126.7° | 107.5° |
| C15 | C25 | H25 | H25A | 138.5° | 145.8° |
| C15 | C25 | C24 | H24 | 120.0° | 107.5° |
| C15 | C25 | C24 | H24A | 126.7° | 107.5° |
| C15 | C24 | H24 | H24A | 138.3° | 145.6° |
| H15 | C15 | C25 | H25 | 115.1° | 145.1° |
| H15 | C15 | C25 | H25A | 1.8° | 0.0° |
| H15 | C15 | C24 | H24 | 7.0° | 0.1° |
| H15 | C15 | C24 | H24A | 106.3° | 145.0° |
| C24 | C25 | H25 | H25A | 138.5° | 145.6° |
| C25 | C24 | H24 | H24A | 138.3° | 145.7° |
| H25 | C25 | C24 | H24 | 120.0° | 145.0° |
| H25 | C25 | C24 | H24A | 6.7° | 0.0° |
| H25A | C25 | C24 | H24 | 6.7° | 0.1° |
| H25A | C25 | C24 | H24A | 106.5° | 145.0° |
| C11 | C4 | C5 | C3 | 175.7° | 179.7° |
| C11 | C4 | C3 | C2 | 175.1° | 179.9° |
| C11 | C4 | C3 | H3 | 4.9° | 0.0° |
| C11 | C4 | C5 | C6 | 178.0° | 180.0° |
| C11 | C4 | C5 | H5 | 1.9° | 0.0° |
| O13 | C11 | C4 | C5 | 99.8° | 150.0° |
| O13 | C11 | C4 | C3 | 75.7° | 29.7° |
| C5 | C4 | C3 | C2 | 0.2° | 0.2° |
| C5 | C4 | C3 | H3 | 179.8° | 179.7° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C1 | 2.7° | 0.0° |
| C4 | C5 | C6 | H6 | 177.3° | 180.0° |
| C4 | C3 | C2 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 2.2° | 0.1° |
| C4 | C3 | C2 | H2 | 177.7° | 180.0° |
| C3 | C4 | C5 | C6 | 2.4° | 0.3° |
| C3 | C4 | C5 | H5 | 177.6° | 179.8° |
| C3 | C2 | C1 | H2 | 180.0° | 180.0° |
| C3 | C2 | C1 | C6 | 1.8° | 0.3° |
| C3 | C2 | C1 | C7 | 178.4° | 180.0° |
| H3 | C3 | C2 | C1 | 177.8° | 180.0° |
| H3 | C3 | C2 | H2 | 2.2° | 0.0° |
| C2 | C1 | C6 | C5 | 0.6° | 0.3° |
| C2 | C1 | C6 | C7 | 179.7° | 179.7° |
| C2 | C1 | C6 | H6 | 179.4° | 179.7° |
| C2 | C1 | C7 | O10 | 168.8° | 118.4° |
| C2 | C1 | C7 | C8 | 75.7° | 121.6° |
| C2 | C1 | C7 | C9 | 46.7° | 1.6° |
| H2 | C2 | C1 | C6 | 178.1° | 179.7° |
| H2 | C2 | C1 | C7 | 1.6° | 0.0° |
| C5 | C6 | C1 | H6 | 180.0° | 180.0° |
| C5 | C6 | C1 | C7 | 179.1° | 180.0° |
| H5 | C5 | C6 | C1 | 177.3° | 180.0° |
| H5 | C5 | C6 | H6 | 2.7° | 0.0° |
| C6 | C1 | C7 | O10 | 10.9° | 61.9° |
| C6 | C1 | C7 | C8 | 104.5° | 58.1° |
| C6 | C1 | C7 | C9 | 133.0° | 178.1° |
| H6 | C6 | C1 | C7 | 0.9° | 0.0° |
| C1 | C7 | O10 | C8 | 116.8° | 120.0° |
| C1 | C7 | O10 | C9 | 122.6° | 120.0° |
| C1 | C7 | C8 | C9 | 122.2° | 120.0° |
| C1 | C7 | C9 | H9 | 8.9° | 60.0° |
| C1 | C7 | C9 | H9A | 111.1° | 180.0° |
| C1 | C7 | C9 | H9B | 128.9° | 60.0° |
| C1 | C7 | O10 | HO10 | 88.5° | 46.4° |
| C1 | C7 | C8 | F21 | 61.3° | 51.6° |
| C1 | C7 | C8 | F23 | 179.2° | 171.5° |
| C1 | C7 | C8 | F22 | 58.6° | 68.5° |
| O10 | C7 | C8 | C9 | 119.8° | 120.0° |
| O10 | C7 | C9 | H9 | 113.2° | 180.0° |
| O10 | C7 | C9 | H9A | 126.8° | 60.0° |
| O10 | C7 | C9 | H9B | 6.8° | 60.0° |
| O10 | C7 | C8 | F21 | 56.7° | 171.5° |
| O10 | C7 | C8 | F23 | 61.2° | 68.5° |
| O10 | C7 | C8 | F22 | 176.6° | 51.5° |
| C8 | C7 | C9 | H9 | 129.5° | 60.0° |
| C8 | C7 | C9 | H9A | 9.5° | 60.0° |
| C8 | C7 | C9 | H9B | 110.5° | 180.0° |
| C8 | C7 | O10 | HO10 | 154.6° | 73.6° |
| C7 | C8 | F21 | F23 | 112.2° | 120.0° |
| C7 | C8 | F21 | F22 | 124.0° | 120.1° |
| C7 | C8 | F23 | F22 | 122.9° | 120.0° |
| C7 | C9 | H9 | H9A | 120.0° | 120.1° |
| C7 | C9 | H9 | H9B | 120.0° | 120.0° |
| C7 | C9 | H9A | H9B | 120.0° | 120.0° |
| C9 | C7 | O10 | HO10 | 34.0° | 166.4° |
| C9 | C7 | C8 | F21 | 176.5° | 68.5° |
| C9 | C7 | C8 | F23 | 58.6° | 51.5° |
| C9 | C7 | C8 | F22 | 63.6° | 171.5° |
| H9 | C9 | H9A | H9B | 120.0° | 119.9° |
| F21 | C8 | F23 | F22 | 120.5° | 119.9° |
