A5T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CLA | C36 | sing | 1.74Å | 1.79Å | |
| C33 | C36 | doub | 1.38Å | 1.38Å | Aromatic |
| C36 | C38 | sing | 1.38Å | 1.40Å | Aromatic |
| CLR3 | C33 | sing | 1.74Å | 1.79Å | |
| C33 | C32 | sing | 1.38Å | 1.39Å | Aromatic |
| C38 | C37 | doub | 1.38Å | 1.40Å | Aromatic |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| C34 | C37 | sing | 1.38Å | 1.40Å | Aromatic |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C32 | C34 | doub | 1.38Å | 1.39Å | Aromatic |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C29 | C32 | sing | 1.51Å | 1.51Å | |
| C29 | N26 | sing | 1.46Å | 1.46Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C28 | N26 | sing | 1.46Å | 1.48Å | |
| N26 | C22 | sing | 1.35Å | 1.36Å | |
| C28 | C31 | sing | 1.53Å | 1.53Å | |
| C28 | C30 | sing | 1.53Å | 1.53Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C31 | C30 | sing | 1.53Å | 1.51Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C22 | C20 | sing | 1.46Å | 1.49Å | |
| C22 | O25 | doub | 1.22Å | 1.25Å | |
| C19 | C20 | doub | 1.34Å | 1.37Å | |
| C20 | C23 | sing | 1.51Å | 1.51Å | |
| C23 | N27 | sing | 1.47Å | 1.46Å | |
| C23 | C | sing | 1.54Å | 1.53Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | N27 | sing | 1.47Å | 1.45Å | |
| N27 | HN27 | sing | 1.01Å | 1.00Å | |
| C21 | C24 | sing | 1.52Å | 1.54Å | |
| C24 | CA | sing | 1.52Å | 1.54Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | C21 | sing | 1.50Å | 1.54Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| NB | C | sing | 1.47Å | 1.46Å | |
| C | H | sing | 1.09Å | 1.10Å | |
| C | HA | sing | 1.09Å | 1.10Å | |
| NB | CA | sing | 1.47Å | 1.47Å | |
| NB | HNB | sing | 1.01Å | 1.00Å | |
| CA | HAA | sing | 1.09Å | 1.10Å | |
| CA | HAB | sing | 1.09Å | 1.10Å | |
| C18 | C19 | sing | 1.47Å | 1.52Å | |
| C17 | C18 | doub | 1.40Å | 1.40Å | Aromatic |
| C16 | C18 | sing | 1.40Å | 1.40Å | Aromatic |
| C14 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C13 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C13 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C12 | C13 | sing | 1.51Å | 1.48Å | |
| C10 | C12 | sing | 1.53Å | 1.34Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C10 | C8 | sing | 1.53Å | 1.51Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| O5 | C8 | sing | 1.43Å | 1.44Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| O5 | C3 | sing | 1.36Å | 1.39Å | |
| C2 | C3 | doub | 1.39Å | 1.37Å | Aromatic |
| C3 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | F1 | sing | 1.35Å | 1.33Å | |
| CL11 | C2 | sing | 1.74Å | 1.80Å | |
| C2 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
| F2 | C4 | sing | 1.35Å | 1.34Å | |
| C4 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CLA | C36 | C33 | 118.8° | 120.1° |
| CLA | C36 | C38 | 121.3° | 120.0° |
| C33 | C36 | C38 | 119.9° | 119.9° |
| C36 | C33 | CLR3 | 119.5° | 120.0° |
| C36 | C33 | C32 | 120.3° | 120.0° |
| C36 | C38 | C37 | 120.3° | 120.0° |
| C36 | C38 | H38 | 119.8° | 120.0° |
| CLR3 | C33 | C32 | 120.3° | 120.0° |
| C33 | C32 | C34 | 119.9° | 120.0° |
| C33 | C32 | C29 | 117.2° | 120.0° |
| C37 | C38 | H38 | 119.8° | 120.0° |
| C38 | C37 | C34 | 119.2° | 120.0° |
| C38 | C37 | H37 | 120.4° | 120.0° |
| C34 | C37 | H37 | 120.4° | 120.0° |
| C37 | C34 | C32 | 120.5° | 120.1° |
| C37 | C34 | H34 | 119.8° | 120.0° |
| C32 | C34 | H34 | 119.8° | 120.0° |
| C34 | C32 | C29 | 122.9° | 120.1° |
| C32 | C29 | N26 | 118.3° | 109.5° |
| C32 | C29 | H29 | 106.6° | 109.5° |
| C32 | C29 | H29A | 104.5° | 109.5° |
| N26 | C29 | H29 | 106.6° | 109.4° |
| N26 | C29 | H29A | 104.6° | 109.5° |
| C29 | N26 | C28 | 111.7° | 120.0° |
| C29 | N26 | C22 | 120.7° | 120.0° |
| H29 | C29 | H29A | 116.7° | 109.5° |
| C28 | N26 | C22 | 127.5° | 120.0° |
| N26 | C28 | C31 | 110.1° | 117.5° |
| N26 | C28 | C30 | 110.2° | 117.5° |
| N26 | C28 | H28 | 101.1° | 115.6° |
| N26 | C22 | C20 | 123.2° | 120.0° |
| N26 | C22 | O25 | 120.4° | 120.0° |
| C31 | C28 | C30 | 59.3° | 60.0° |
| C31 | C28 | H28 | 135.8° | 117.5° |
| C28 | C31 | C30 | 60.1° | 60.0° |
| C28 | C31 | H31 | 130.8° | 117.5° |
| C28 | C31 | H31A | 135.9° | 117.5° |
| C30 | C28 | H28 | 135.8° | 117.5° |
| C28 | C30 | C31 | 60.5° | 60.0° |
| C28 | C30 | H30 | 130.6° | 117.5° |
| C28 | C30 | H30A | 135.7° | 117.5° |
| C30 | C31 | H31 | 130.8° | 117.5° |
| C30 | C31 | H31A | 135.9° | 117.5° |
| C31 | C30 | H30 | 130.6° | 117.5° |
| C31 | C30 | H30A | 135.7° | 117.5° |
| H31 | C31 | H31A | 74.8° | 115.5° |
| H30 | C30 | H30A | 75.1° | 115.5° |
| C20 | C22 | O25 | 116.4° | 120.0° |
| C22 | C20 | C19 | 123.2° | 118.9° |
| C22 | C20 | C23 | 117.1° | 119.0° |
| C19 | C20 | C23 | 119.6° | 122.0° |
| C20 | C19 | C21 | 120.9° | 122.9° |
| C20 | C19 | C18 | 124.9° | 118.6° |
| C20 | C23 | N27 | 111.6° | 109.3° |
| C20 | C23 | C | 110.4° | 107.8° |
| C20 | C23 | H23 | 107.3° | 110.3° |
| N27 | C23 | C | 109.4° | 108.0° |
| N27 | C23 | H23 | 108.4° | 110.3° |
| C23 | N27 | C24 | 111.0° | 110.4° |
| C23 | N27 | HN27 | 109.0° | 111.0° |
| C | C23 | H23 | 109.6° | 111.1° |
| C23 | C | NB | 109.0° | 107.9° |
| C23 | C | H | 109.6° | 109.8° |
| C23 | C | HA | 109.7° | 109.7° |
| C24 | N27 | HN27 | 108.9° | 111.1° |
| N27 | C24 | C21 | 109.5° | 110.1° |
| N27 | C24 | CA | 109.3° | 111.3° |
| N27 | C24 | H24 | 110.6° | 108.0° |
| C21 | C24 | CA | 112.2° | 111.8° |
| C21 | C24 | H24 | 107.5° | 107.4° |
| C24 | C21 | C19 | 114.2° | 110.9° |
| C24 | C21 | H21 | 107.9° | 109.2° |
| C24 | C21 | H21A | 106.9° | 109.2° |
| CA | C24 | H24 | 107.8° | 108.0° |
| C24 | CA | NB | 112.2° | 111.0° |
| C24 | CA | HAA | 108.6° | 109.2° |
| C24 | CA | HAB | 107.9° | 109.2° |
| C19 | C21 | H21 | 107.9° | 109.4° |
| C19 | C21 | H21A | 106.8° | 109.0° |
| C21 | C19 | C18 | 114.2° | 118.5° |
| H21 | C21 | H21A | 113.2° | 109.2° |
| NB | C | H | 109.6° | 109.8° |
| NB | C | HA | 109.7° | 109.8° |
| C | NB | CA | 112.6° | 110.8° |
| C | NB | HNB | 108.4° | 111.0° |
| H | C | HA | 109.1° | 109.8° |
| CA | NB | HNB | 108.5° | 111.0° |
| NB | CA | HAA | 108.6° | 109.2° |
| NB | CA | HAB | 108.0° | 109.2° |
| HAA | CA | HAB | 111.7° | 109.2° |
| C19 | C18 | C17 | 118.8° | 120.2° |
| C19 | C18 | C16 | 122.8° | 120.2° |
| C17 | C18 | C16 | 118.4° | 119.7° |
| C18 | C17 | C15 | 121.7° | 119.8° |
| C18 | C17 | H17 | 119.1° | 120.1° |
| C18 | C16 | C14 | 120.5° | 119.8° |
| C18 | C16 | H16 | 119.7° | 120.1° |
| C14 | C16 | H16 | 119.8° | 120.1° |
| C16 | C14 | C13 | 120.1° | 120.2° |
| C16 | C14 | H14 | 119.9° | 119.9° |
| C13 | C14 | H14 | 120.0° | 120.0° |
| C14 | C13 | C15 | 120.0° | 120.4° |
| C14 | C13 | C12 | 120.2° | 119.8° |
| C15 | C17 | H17 | 119.2° | 120.1° |
| C17 | C15 | C13 | 119.3° | 120.2° |
| C17 | C15 | H15 | 120.3° | 119.9° |
| C13 | C15 | H15 | 120.3° | 120.0° |
| C15 | C13 | C12 | 119.8° | 119.8° |
| C13 | C12 | C10 | 120.7° | 109.5° |
| C13 | C12 | H12 | 105.9° | 109.5° |
| C13 | C12 | H12A | 103.2° | 109.4° |
| C10 | C12 | H12 | 105.9° | 109.5° |
| C10 | C12 | H12A | 103.3° | 109.5° |
| C12 | C10 | C8 | 122.2° | 109.5° |
| C12 | C10 | H10 | 105.4° | 109.4° |
| C12 | C10 | H10A | 102.5° | 109.5° |
| H12 | C12 | H12A | 118.8° | 109.5° |
| C8 | C10 | H10 | 105.5° | 109.5° |
| C8 | C10 | H10A | 102.5° | 109.5° |
| C10 | C8 | O5 | 113.2° | 109.5° |
| C10 | C8 | H8 | 108.3° | 109.4° |
| C10 | C8 | H8A | 107.4° | 109.5° |
| H10 | C10 | H10A | 120.1° | 109.5° |
| O5 | C8 | H8 | 108.3° | 109.5° |
| O5 | C8 | H8A | 107.4° | 109.4° |
| C8 | O5 | C3 | 109.5° | 117.0° |
| H8 | C8 | H8A | 112.4° | 109.5° |
| O5 | C3 | C2 | 117.6° | 120.0° |
| O5 | C3 | C6 | 125.0° | 120.1° |
| C2 | C3 | C6 | 117.4° | 119.9° |
| C3 | C2 | CL11 | 115.7° | 120.1° |
| C3 | C2 | C4 | 121.0° | 119.9° |
| C3 | C6 | C9 | 121.9° | 120.0° |
| C3 | C6 | F1 | 121.0° | 120.0° |
| C9 | C6 | F1 | 117.1° | 120.0° |
| C6 | C9 | C7 | 119.9° | 120.1° |
| C6 | C9 | H9 | 120.0° | 120.0° |
| CL11 | C2 | C4 | 123.4° | 120.0° |
| C2 | C4 | F2 | 121.4° | 119.9° |
| C2 | C4 | C7 | 121.3° | 120.0° |
| F2 | C4 | C7 | 117.3° | 120.0° |
| C4 | C7 | C9 | 118.5° | 120.1° |
| C4 | C7 | H7 | 120.8° | 120.0° |
| C9 | C7 | H7 | 120.7° | 119.9° |
| C7 | C9 | H9 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CLA | C36 | C33 | C38 | 178.9° | 179.7° |
| CLA | C36 | C33 | CLR3 | 0.7° | 0.0° |
| CLA | C36 | C33 | C32 | 179.8° | 180.0° |
| CLA | C36 | C38 | C37 | 179.8° | 180.0° |
| CLA | C36 | C38 | H38 | 0.2° | 0.0° |
| C36 | C33 | CLR3 | C32 | 179.1° | 180.0° |
| C33 | C36 | C38 | C37 | 1.4° | 0.3° |
| C33 | C36 | C38 | H38 | 178.7° | 179.7° |
| C36 | C33 | C32 | C34 | 0.5° | 0.0° |
| C36 | C33 | C32 | C29 | 179.4° | 180.0° |
| C38 | C36 | C33 | CLR3 | 179.5° | 179.7° |
| C38 | C36 | C33 | C32 | 1.4° | 0.3° |
| C36 | C38 | C37 | H38 | 180.0° | 180.0° |
| C36 | C38 | C37 | C34 | 0.4° | 0.0° |
| C36 | C38 | C37 | H37 | 179.5° | 180.0° |
| CLR3 | C33 | C32 | C34 | 179.5° | 180.0° |
| CLR3 | C33 | C32 | C29 | 0.3° | 0.0° |
| C33 | C32 | C34 | C37 | 0.5° | 0.2° |
| C33 | C32 | C34 | C29 | 179.8° | 180.0° |
| C33 | C32 | C34 | H34 | 179.5° | 180.0° |
| C33 | C32 | C29 | N26 | 158.1° | 50.7° |
| C33 | C32 | C29 | H29 | 81.9° | 170.7° |
| C33 | C32 | C29 | H29A | 42.3° | 69.3° |
| C38 | C37 | C34 | H37 | 180.0° | 179.9° |
| C38 | C37 | C34 | C32 | 0.5° | 0.2° |
| C38 | C37 | C34 | H34 | 179.5° | 180.0° |
| H38 | C38 | C37 | C34 | 179.6° | 180.0° |
| H38 | C38 | C37 | H37 | 0.5° | 0.0° |
| C37 | C34 | C32 | H34 | 180.0° | 179.8° |
| C37 | C34 | C32 | C29 | 179.7° | 179.8° |
| H37 | C37 | C34 | C32 | 179.6° | 179.7° |
| H37 | C37 | C34 | H34 | 0.4° | 0.0° |
| C34 | C32 | C29 | N26 | 22.1° | 129.3° |
| C34 | C32 | C29 | H29 | 97.9° | 9.3° |
| C34 | C32 | C29 | H29A | 137.9° | 110.7° |
| H34 | C34 | C32 | C29 | 0.3° | 0.0° |
| C32 | C29 | N26 | H29 | 120.0° | 120.0° |
| C32 | C29 | N26 | H29A | 115.8° | 120.0° |
| C32 | C29 | H29 | H29A | 116.3° | 120.0° |
| C32 | C29 | N26 | C28 | 93.6° | 98.4° |
| C32 | C29 | N26 | C22 | 90.5° | 81.7° |
| N26 | C29 | H29 | H29A | 116.4° | 120.0° |
| C29 | N26 | C28 | C22 | 175.6° | 180.0° |
| C29 | N26 | C28 | C31 | 65.7° | 130.0° |
| C29 | N26 | C28 | C30 | 129.3° | 161.3° |
| C29 | N26 | C28 | H28 | 82.5° | 15.6° |
| C29 | N26 | C22 | C20 | 176.4° | 28.3° |
| C29 | N26 | C22 | O25 | 3.6° | 151.6° |
| H29 | C29 | N26 | C28 | 146.4° | 141.6° |
| H29 | C29 | N26 | C22 | 29.5° | 38.3° |
| H29A | C29 | N26 | C28 | 22.2° | 21.6° |
| H29A | C29 | N26 | C22 | 153.8° | 158.3° |
| N26 | C28 | C31 | C30 | 102.1° | 107.5° |
| N26 | C28 | C31 | H28 | 132.0° | 145.0° |
| N26 | C28 | C30 | H28 | 132.1° | 145.1° |
| N26 | C28 | C31 | H31 | 137.9° | 145.1° |
| N26 | C28 | C31 | H31A | 24.6° | 0.0° |
| N26 | C28 | C30 | H30 | 18.0° | 0.0° |
| N26 | C28 | C30 | H30A | 131.3° | 145.1° |
| C28 | N26 | C22 | C20 | 1.2° | 151.7° |
| C28 | N26 | C22 | O25 | 178.8° | 28.5° |
| C22 | N26 | C28 | C31 | 118.7° | 50.0° |
| C22 | N26 | C28 | C30 | 55.1° | 18.6° |
| C22 | N26 | C28 | H28 | 93.1° | 164.4° |
| N26 | C22 | C20 | O25 | 180.0° | 179.9° |
| N26 | C22 | C20 | C19 | 63.5° | 159.9° |
| N26 | C22 | C20 | C23 | 119.6° | 19.8° |
| C31 | C28 | C30 | H28 | 125.9° | 107.5° |
| C28 | C31 | C30 | H31 | 120.0° | 107.5° |
| C28 | C31 | C30 | H31A | 126.7° | 107.5° |
| C28 | C31 | H31 | H31A | 138.5° | 145.8° |
| C31 | C28 | C30 | H30 | 120.0° | 107.4° |
| C31 | C28 | C30 | H30A | 126.7° | 107.5° |
| C28 | C30 | H30 | H30A | 138.5° | 145.8° |
| H28 | C28 | C31 | H31 | 5.8° | 0.1° |
| H28 | C28 | C31 | H31A | 107.5° | 145.0° |
| H28 | C28 | C30 | H30 | 114.1° | 145.1° |
| H28 | C28 | C30 | H30A | 0.8° | 0.0° |
| C30 | C31 | H31 | H31A | 138.6° | 145.7° |
| C31 | C30 | H30 | H30A | 138.4° | 145.6° |
| H31 | C31 | C30 | H30 | 120.0° | 144.9° |
| H31 | C31 | C30 | H30A | 6.8° | 0.0° |
| H31A | C31 | C30 | H30 | 6.7° | 0.0° |
| H31A | C31 | C30 | H30A | 106.5° | 145.0° |
| C22 | C20 | C19 | C23 | 176.8° | 179.7° |
| C22 | C20 | C23 | N27 | 156.4° | 157.1° |
| C22 | C20 | C23 | C | 81.6° | 85.8° |
| C22 | C20 | C23 | H23 | 37.8° | 35.7° |
| C22 | C20 | C19 | C21 | 178.1° | 178.1° |
| C22 | C20 | C19 | C18 | 2.6° | 1.7° |
| O25 | C22 | C20 | C19 | 116.5° | 20.2° |
| O25 | C22 | C20 | C23 | 60.5° | 160.1° |
| C19 | C20 | C23 | N27 | 26.5° | 23.2° |
| C19 | C20 | C23 | C | 95.4° | 93.9° |
| C19 | C20 | C23 | H23 | 145.2° | 144.6° |
| C20 | C19 | C21 | C24 | 6.6° | 12.1° |
| C20 | C19 | C21 | C18 | 179.4° | 179.7° |
| C20 | C19 | C21 | H21 | 113.5° | 108.4° |
| C20 | C19 | C21 | H21A | 124.5° | 132.3° |
| C20 | C19 | C18 | C17 | 139.3° | 65.2° |
| C20 | C19 | C18 | C16 | 42.1° | 115.0° |
| C20 | C23 | N27 | C | 122.5° | 117.0° |
| C20 | C23 | N27 | H23 | 118.0° | 121.4° |
| C20 | C23 | C | H23 | 118.0° | 120.9° |
| C20 | C23 | N27 | C24 | 59.5° | 55.4° |
| C20 | C23 | N27 | HN27 | 60.5° | 68.1° |
| C23 | C20 | C19 | C21 | 1.2° | 2.3° |
| C20 | C23 | C | NB | 63.8° | 54.5° |
| C20 | C23 | C | H | 176.2° | 174.1° |
| C20 | C23 | C | HA | 56.4° | 65.1° |
| C23 | C20 | C19 | C18 | 179.5° | 178.0° |
| N27 | C23 | C | H23 | 118.7° | 121.1° |
| C23 | N27 | C24 | HN27 | 120.0° | 123.5° |
| C23 | N27 | C24 | C21 | 64.7° | 67.9° |
| C23 | N27 | C24 | CA | 58.6° | 56.7° |
| C23 | N27 | C24 | H24 | 177.1° | 175.1° |
| N27 | C23 | C | NB | 59.4° | 63.5° |
| N27 | C23 | C | H | 60.6° | 56.1° |
| N27 | C23 | C | HA | 179.6° | 176.9° |
| C | C23 | N27 | C24 | 63.0° | 61.6° |
| C | C23 | N27 | HN27 | 177.0° | 174.8° |
| C23 | C | NB | H | 120.0° | 119.6° |
| C23 | C | NB | HA | 120.2° | 119.6° |
| C23 | C | H | HA | 120.2° | 120.7° |
| C23 | C | NB | CA | 55.0° | 61.3° |
| C23 | C | NB | HNB | 175.0° | 174.9° |
| H23 | C23 | N27 | C24 | 177.5° | 176.8° |
| H23 | C23 | N27 | HN27 | 57.5° | 53.2° |
| H23 | C23 | C | NB | 178.2° | 175.4° |
| H23 | C23 | C | H | 58.2° | 65.0° |
| H23 | C23 | C | HA | 61.7° | 55.8° |
| N27 | C24 | C21 | CA | 121.5° | 124.2° |
| N27 | C24 | C21 | H24 | 120.1° | 117.4° |
| N27 | C24 | CA | H24 | 120.2° | 118.4° |
| N27 | C24 | C21 | C19 | 37.2° | 43.4° |
| N27 | C24 | C21 | H21 | 82.8° | 77.2° |
| N27 | C24 | C21 | H21A | 155.1° | 163.5° |
| N27 | C24 | CA | NB | 53.0° | 53.2° |
| N27 | C24 | CA | HAA | 173.0° | 173.5° |
| N27 | C24 | CA | HAB | 65.8° | 67.2° |
| HN27 | N27 | C24 | C21 | 55.4° | 55.6° |
| HN27 | N27 | C24 | CA | 178.7° | 179.8° |
| HN27 | N27 | C24 | H24 | 62.9° | 61.4° |
| C21 | C24 | CA | H24 | 118.1° | 118.0° |
| C24 | C21 | C19 | H21 | 120.0° | 120.5° |
| C24 | C21 | C19 | H21A | 117.9° | 120.2° |
| C24 | C21 | H21 | H21A | 118.1° | 119.3° |
| C21 | C24 | CA | NB | 68.7° | 70.4° |
| C21 | C24 | CA | HAA | 51.3° | 50.0° |
| C21 | C24 | CA | HAB | 172.5° | 169.2° |
| C24 | C21 | C19 | C18 | 174.1° | 168.2° |
| CA | C24 | C21 | C19 | 84.4° | 80.8° |
| CA | C24 | C21 | H21 | 155.6° | 158.6° |
| CA | C24 | C21 | H21A | 33.5° | 39.3° |
| C24 | CA | NB | C | 52.6° | 56.3° |
| C24 | CA | NB | HAA | 120.0° | 120.4° |
| C24 | CA | NB | HAB | 118.8° | 120.4° |
| C24 | CA | NB | HNB | 172.5° | 179.9° |
| C24 | CA | HAA | HAB | 118.9° | 119.3° |
| H24 | C24 | C21 | C19 | 157.3° | 160.8° |
| H24 | C24 | C21 | H21 | 37.3° | 40.2° |
| H24 | C24 | C21 | H21A | 84.8° | 79.1° |
| H24 | C24 | CA | NB | 173.2° | 171.6° |
| H24 | C24 | CA | HAA | 66.8° | 68.1° |
| H24 | C24 | CA | HAB | 54.4° | 51.2° |
| C19 | C21 | H21 | H21A | 118.0° | 119.2° |
| C21 | C19 | C18 | C17 | 40.0° | 115.0° |
| C21 | C19 | C18 | C16 | 138.6° | 64.8° |
| H21 | C21 | C19 | C18 | 65.9° | 71.3° |
| H21A | C21 | C19 | C18 | 56.2° | 48.0° |
| NB | C | H | HA | 120.2° | 120.8° |
| C | NB | CA | HNB | 120.0° | 123.8° |
| C | NB | CA | HAA | 172.6° | 176.6° |
| C | NB | CA | HAB | 66.2° | 64.1° |
| H | C | NB | CA | 65.0° | 58.3° |
| H | C | NB | HNB | 55.0° | 65.5° |
| HA | C | NB | CA | 175.2° | 179.2° |
| HA | C | NB | HNB | 64.9° | 55.3° |
| NB | CA | HAA | HAB | 118.9° | 119.2° |
| HNB | NB | CA | HAA | 67.5° | 59.5° |
| HNB | NB | CA | HAB | 53.7° | 59.7° |
| C19 | C18 | C17 | C16 | 178.7° | 179.8° |
| C19 | C18 | C16 | C14 | 179.8° | 180.0° |
| C19 | C18 | C16 | H16 | 0.2° | 0.0° |
| C19 | C18 | C17 | C15 | 178.7° | 180.0° |
| C19 | C18 | C17 | H17 | 1.3° | 0.1° |
| C17 | C18 | C16 | C14 | 1.2° | 0.2° |
| C17 | C18 | C16 | H16 | 178.8° | 179.8° |
| C18 | C17 | C15 | H17 | 180.0° | 179.9° |
| C18 | C17 | C15 | C13 | 0.3° | 0.1° |
| C18 | C17 | C15 | H15 | 179.7° | 180.0° |
| C18 | C16 | C14 | H16 | 180.0° | 180.0° |
| C18 | C16 | C14 | C13 | 1.9° | 0.0° |
| C18 | C16 | C14 | H14 | 178.1° | 180.0° |
| C16 | C18 | C17 | C15 | 0.1° | 0.2° |
| C16 | C18 | C17 | H17 | 179.9° | 179.7° |
| C16 | C14 | C13 | H14 | 180.0° | 180.0° |
| C16 | C14 | C13 | C15 | 1.5° | 0.2° |
| C16 | C14 | C13 | C12 | 179.8° | 180.0° |
| H16 | C16 | C14 | C13 | 178.1° | 180.0° |
| H16 | C16 | C14 | H14 | 1.9° | 0.0° |
| C14 | C13 | C15 | C17 | 0.4° | 0.3° |
| C14 | C13 | C15 | C12 | 178.7° | 179.8° |
| C14 | C13 | C15 | H15 | 179.6° | 179.8° |
| C14 | C13 | C12 | C10 | 73.1° | 90.0° |
| C14 | C13 | C12 | H12 | 166.9° | 150.0° |
| C14 | C13 | C12 | H12A | 41.4° | 30.0° |
| H14 | C14 | C13 | C15 | 178.5° | 179.7° |
| H14 | C14 | C13 | C12 | 0.2° | 0.0° |
| C17 | C15 | C13 | H15 | 180.0° | 180.0° |
| C17 | C15 | C13 | C12 | 179.1° | 180.0° |
| H17 | C17 | C15 | C13 | 179.7° | 180.0° |
| H17 | C17 | C15 | H15 | 0.3° | 0.1° |
| C15 | C13 | C12 | C10 | 105.6° | 89.7° |
| C15 | C13 | C12 | H12 | 14.4° | 30.2° |
| C15 | C13 | C12 | H12A | 139.9° | 150.3° |
| H15 | C15 | C13 | C12 | 0.9° | 0.0° |
| C13 | C12 | C10 | H12 | 120.0° | 120.0° |
| C13 | C12 | C10 | H12A | 114.5° | 120.0° |
| C13 | C12 | H12 | H12A | 115.3° | 120.0° |
| C13 | C12 | C10 | C8 | 24.5° | 180.0° |
| C13 | C12 | C10 | H10 | 144.5° | 60.0° |
| C13 | C12 | C10 | H10A | 89.1° | 59.9° |
| C10 | C12 | H12 | H12A | 115.4° | 120.0° |
| C12 | C10 | C8 | H10 | 120.0° | 119.9° |
| C12 | C10 | C8 | H10A | 113.6° | 120.0° |
| C12 | C10 | H10 | H10A | 114.8° | 120.0° |
| C12 | C10 | C8 | O5 | 137.2° | 180.0° |
| C12 | C10 | C8 | H8 | 102.8° | 60.0° |
| C12 | C10 | C8 | H8A | 18.8° | 60.0° |
| H12 | C12 | C10 | C8 | 95.5° | 60.0° |
| H12 | C12 | C10 | H10 | 24.5° | 180.0° |
| H12 | C12 | C10 | H10A | 150.9° | 60.0° |
| H12A | C12 | C10 | C8 | 139.0° | 60.0° |
| H12A | C12 | C10 | H10 | 101.0° | 60.0° |
| H12A | C12 | C10 | H10A | 25.4° | 179.9° |
| C8 | C10 | H10 | H10A | 114.8° | 120.1° |
| C10 | C8 | O5 | H8 | 120.0° | 120.0° |
| C10 | C8 | O5 | H8A | 118.4° | 120.1° |
| C10 | C8 | H8 | H8A | 118.5° | 120.0° |
| C10 | C8 | O5 | C3 | 131.9° | 180.0° |
| H10 | C10 | C8 | O5 | 17.2° | 60.1° |
| H10 | C10 | C8 | H8 | 137.2° | 179.9° |
| H10 | C10 | C8 | H8A | 101.2° | 59.9° |
| H10A | C10 | C8 | O5 | 109.3° | 60.0° |
| H10A | C10 | C8 | H8 | 10.8° | 60.0° |
| H10A | C10 | C8 | H8A | 132.3° | 180.0° |
| O5 | C8 | H8 | H8A | 118.5° | 120.0° |
| C8 | O5 | C3 | C2 | 140.2° | 90.3° |
| C8 | O5 | C3 | C6 | 40.1° | 90.0° |
| H8 | C8 | O5 | C3 | 11.9° | 60.0° |
| H8A | C8 | O5 | C3 | 109.7° | 60.0° |
| O5 | C3 | C2 | C6 | 179.8° | 179.7° |
| O5 | C3 | C6 | C9 | 179.3° | 179.9° |
| O5 | C3 | C6 | F1 | 0.5° | 0.0° |
| O5 | C3 | C2 | CL11 | 0.4° | 0.1° |
| O5 | C3 | C2 | C4 | 179.7° | 179.9° |
| C2 | C3 | C6 | C9 | 0.9° | 0.3° |
| C2 | C3 | C6 | F1 | 179.8° | 179.7° |
| C3 | C2 | CL11 | C4 | 179.9° | 180.0° |
| C3 | C2 | C4 | F2 | 179.7° | 180.0° |
| C3 | C2 | C4 | C7 | 0.5° | 0.0° |
| C3 | C6 | C9 | F1 | 178.9° | 180.0° |
| C6 | C3 | C2 | CL11 | 179.4° | 179.8° |
| C6 | C3 | C2 | C4 | 0.5° | 0.2° |
| C3 | C6 | C9 | C7 | 1.3° | 0.0° |
| C3 | C6 | C9 | H9 | 178.7° | 180.0° |
| C6 | C9 | C7 | C4 | 1.2° | 0.3° |
| C6 | C9 | C7 | H9 | 180.0° | 180.0° |
| C6 | C9 | C7 | H7 | 178.8° | 180.0° |
| F1 | C6 | C9 | C7 | 179.8° | 180.0° |
| F1 | C6 | C9 | H9 | 0.2° | 0.0° |
| CL11 | C2 | C4 | F2 | 0.3° | 0.0° |
| CL11 | C2 | C4 | C7 | 179.4° | 180.0° |
| C2 | C4 | F2 | C7 | 179.2° | 180.0° |
| C2 | C4 | C7 | C9 | 0.9° | 0.3° |
| C2 | C4 | C7 | H7 | 179.2° | 180.0° |
| F2 | C4 | C7 | C9 | 180.0° | 179.7° |
| F2 | C4 | C7 | H7 | 0.0° | 0.0° |
| C4 | C7 | C9 | H7 | 180.0° | 179.7° |
| C4 | C7 | C9 | H9 | 178.8° | 179.7° |
| H7 | C7 | C9 | H9 | 1.2° | 0.0° |
