A7T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | O26 | doub | 1.22Å | 1.22Å | |
| N27 | C23 | sing | 1.35Å | 1.35Å | |
| C23 | C21 | sing | 1.46Å | 1.48Å | |
| C31 | N27 | sing | 1.47Å | 1.49Å | |
| C32 | N27 | sing | 1.46Å | 1.48Å | |
| C32 | C36 | sing | 1.51Å | 1.51Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C37 | C36 | doub | 1.38Å | 1.40Å | Aromatic |
| C36 | C38 | sing | 1.38Å | 1.39Å | Aromatic |
| C38 | C41 | doub | 1.38Å | 1.39Å | Aromatic |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| C42 | C41 | sing | 1.38Å | 1.39Å | Aromatic |
| C41 | H41 | sing | 1.08Å | 1.08Å | |
| C39 | C42 | doub | 1.38Å | 1.39Å | Aromatic |
| C42 | H42 | sing | 1.08Å | 1.08Å | |
| C37 | C39 | sing | 1.38Å | 1.39Å | Aromatic |
| C43 | C39 | sing | 1.51Å | 1.51Å | |
| C43 | H43 | sing | 1.09Å | 1.10Å | |
| C43 | H43A | sing | 1.09Å | 1.10Å | |
| C43 | H43B | sing | 1.09Å | 1.10Å | |
| C40 | C37 | sing | 1.51Å | 1.50Å | |
| C40 | H40 | sing | 1.09Å | 1.10Å | |
| C40 | H40A | sing | 1.09Å | 1.10Å | |
| C40 | H40B | sing | 1.09Å | 1.10Å | |
| C31 | C34 | sing | 1.53Å | 1.53Å | |
| C31 | C35 | sing | 1.53Å | 1.53Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C34 | C35 | sing | 1.53Å | 1.52Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H35A | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H34A | sing | 1.09Å | 1.10Å | |
| C20 | C21 | doub | 1.34Å | 1.37Å | |
| C21 | C24 | sing | 1.51Å | 1.51Å | |
| C24 | N28 | sing | 1.47Å | 1.45Å | |
| C24 | C29 | sing | 1.54Å | 1.54Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | N28 | sing | 1.47Å | 1.46Å | |
| N28 | HN28 | sing | 1.01Å | 1.00Å | |
| N33 | C29 | sing | 1.47Å | 1.46Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C30 | N33 | sing | 1.47Å | 1.45Å | |
| N33 | HN33 | sing | 1.01Å | 1.00Å | |
| C25 | C30 | sing | 1.52Å | 1.53Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C22 | C25 | sing | 1.52Å | 1.52Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C20 | C22 | sing | 1.50Å | 1.52Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C19 | C20 | sing | 1.47Å | 1.53Å | |
| C18 | C19 | doub | 1.40Å | 1.41Å | Aromatic |
| C17 | C19 | sing | 1.40Å | 1.40Å | Aromatic |
| C15 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C14 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C14 | C16 | doub | 1.39Å | 1.40Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| O13 | C14 | sing | 1.36Å | 1.39Å | |
| C12 | O13 | sing | 1.43Å | 1.45Å | |
| C8 | C12 | sing | 1.53Å | 1.52Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C8 | O5 | sing | 1.43Å | 1.43Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| O5 | C3 | sing | 1.36Å | 1.37Å | |
| C2 | C3 | doub | 1.39Å | 1.48Å | Aromatic |
| C3 | C6 | sing | 1.39Å | 1.47Å | Aromatic |
| C6 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | CL9 | sing | 1.74Å | 1.79Å | |
| C7 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C4 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C7 | sing | 1.51Å | 1.50Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C11 | H11B | sing | 1.09Å | 1.10Å | |
| C2 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| CL1 | C2 | sing | 1.74Å | 1.77Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O26 | C23 | N27 | 118.6° | 120.0° |
| O26 | C23 | C21 | 117.4° | 120.0° |
| N27 | C23 | C21 | 123.9° | 120.0° |
| C23 | N27 | C31 | 123.7° | 120.0° |
| C23 | N27 | C32 | 122.7° | 120.0° |
| C23 | C21 | C20 | 120.2° | 119.0° |
| C23 | C21 | C24 | 119.3° | 119.0° |
| C31 | N27 | C32 | 113.3° | 119.9° |
| N27 | C31 | C34 | 108.9° | 117.5° |
| N27 | C31 | C35 | 109.2° | 117.5° |
| N27 | C31 | H31 | 102.2° | 115.5° |
| N27 | C32 | C36 | 123.9° | 109.5° |
| N27 | C32 | H32 | 104.9° | 109.5° |
| N27 | C32 | H32A | 101.5° | 109.5° |
| C36 | C32 | H32 | 104.9° | 109.5° |
| C36 | C32 | H32A | 101.5° | 109.4° |
| C32 | C36 | C37 | 119.3° | 120.0° |
| C32 | C36 | C38 | 120.5° | 120.0° |
| H32 | C32 | H32A | 121.7° | 109.5° |
| C37 | C36 | C38 | 120.2° | 120.0° |
| C36 | C37 | C39 | 119.8° | 120.0° |
| C36 | C37 | C40 | 120.7° | 120.0° |
| C36 | C38 | C41 | 119.5° | 120.0° |
| C36 | C38 | H38 | 120.2° | 120.0° |
| C41 | C38 | H38 | 120.2° | 120.0° |
| C38 | C41 | C42 | 120.2° | 120.0° |
| C38 | C41 | H41 | 119.9° | 120.0° |
| C42 | C41 | H41 | 119.9° | 120.0° |
| C41 | C42 | C39 | 120.5° | 120.0° |
| C41 | C42 | H42 | 119.7° | 119.9° |
| C39 | C42 | H42 | 119.8° | 120.0° |
| C42 | C39 | C37 | 119.7° | 120.0° |
| C42 | C39 | C43 | 118.3° | 120.0° |
| C37 | C39 | C43 | 122.0° | 120.0° |
| C39 | C37 | C40 | 119.5° | 120.0° |
| C39 | C43 | H43 | 109.5° | 109.5° |
| C39 | C43 | H43A | 109.4° | 109.5° |
| C39 | C43 | H43B | 109.5° | 109.5° |
| H43 | C43 | H43A | 109.5° | 109.5° |
| H43 | C43 | H43B | 109.4° | 109.5° |
| H43A | C43 | H43B | 109.5° | 109.5° |
| C37 | C40 | H40 | 109.5° | 109.5° |
| C37 | C40 | H40A | 109.5° | 109.5° |
| C37 | C40 | H40B | 109.5° | 109.5° |
| H40 | C40 | H40A | 109.5° | 109.4° |
| H40 | C40 | H40B | 109.5° | 109.4° |
| H40A | C40 | H40B | 109.5° | 109.5° |
| C34 | C31 | C35 | 59.6° | 60.0° |
| C34 | C31 | H31 | 136.0° | 117.5° |
| C31 | C34 | C35 | 60.0° | 60.0° |
| C31 | C34 | H34 | 130.9° | 117.5° |
| C31 | C34 | H34A | 136.0° | 117.5° |
| C35 | C31 | H31 | 135.7° | 117.5° |
| C31 | C35 | C34 | 60.4° | 60.0° |
| C31 | C35 | H35 | 130.7° | 117.6° |
| C31 | C35 | H35A | 135.8° | 117.5° |
| C34 | C35 | H35 | 130.7° | 117.5° |
| C34 | C35 | H35A | 135.8° | 117.5° |
| C35 | C34 | H34 | 130.9° | 117.5° |
| C35 | C34 | H34A | 136.0° | 117.5° |
| H35 | C35 | H35A | 75.0° | 115.5° |
| H34 | C34 | H34A | 74.8° | 115.6° |
| C20 | C21 | C24 | 120.3° | 122.1° |
| C21 | C20 | C22 | 121.1° | 122.9° |
| C21 | C20 | C19 | 123.4° | 118.5° |
| C21 | C24 | N28 | 111.7° | 109.2° |
| C21 | C24 | C29 | 109.1° | 107.8° |
| C21 | C24 | H24 | 107.0° | 110.3° |
| N28 | C24 | C29 | 105.5° | 108.0° |
| N28 | C24 | H24 | 110.5° | 110.3° |
| C24 | N28 | C25 | 114.7° | 110.4° |
| C24 | N28 | HN28 | 107.8° | 111.0° |
| C29 | C24 | H24 | 113.1° | 111.1° |
| C24 | C29 | N33 | 108.5° | 107.8° |
| C24 | C29 | H29 | 109.8° | 109.7° |
| C24 | C29 | H29A | 110.1° | 109.8° |
| C25 | N28 | HN28 | 107.7° | 111.0° |
| N28 | C25 | C30 | 111.1° | 111.3° |
| N28 | C25 | C22 | 109.8° | 110.1° |
| N28 | C25 | H25 | 107.4° | 108.0° |
| N33 | C29 | H29 | 109.8° | 109.8° |
| N33 | C29 | H29A | 110.0° | 109.9° |
| C29 | N33 | C30 | 121.3° | 110.8° |
| C29 | N33 | HN33 | 105.7° | 111.0° |
| H29 | C29 | H29A | 108.7° | 109.8° |
| C30 | N33 | HN33 | 105.7° | 111.0° |
| N33 | C30 | C25 | 108.7° | 111.0° |
| N33 | C30 | H30 | 109.7° | 109.1° |
| N33 | C30 | H30A | 109.9° | 109.2° |
| C25 | C30 | H30 | 109.8° | 109.2° |
| C25 | C30 | H30A | 109.9° | 109.2° |
| C30 | C25 | C22 | 107.3° | 111.8° |
| C30 | C25 | H25 | 110.0° | 108.0° |
| H30 | C30 | H30A | 108.9° | 109.1° |
| C22 | C25 | H25 | 111.3° | 107.4° |
| C25 | C22 | C20 | 115.8° | 110.9° |
| C25 | C22 | H22 | 107.4° | 109.2° |
| C25 | C22 | H22A | 106.0° | 109.3° |
| C20 | C22 | H22 | 107.4° | 109.3° |
| C20 | C22 | H22A | 106.0° | 109.0° |
| C22 | C20 | C19 | 115.5° | 118.6° |
| H22 | C22 | H22A | 114.5° | 109.2° |
| C20 | C19 | C18 | 121.2° | 120.1° |
| C20 | C19 | C17 | 122.1° | 120.1° |
| C18 | C19 | C17 | 116.7° | 119.8° |
| C19 | C18 | C16 | 123.0° | 119.9° |
| C19 | C18 | H18 | 118.5° | 120.1° |
| C19 | C17 | C15 | 121.0° | 119.9° |
| C19 | C17 | H17 | 119.5° | 120.0° |
| C15 | C17 | H17 | 119.5° | 120.1° |
| C17 | C15 | C14 | 121.4° | 120.1° |
| C17 | C15 | H15 | 119.3° | 119.9° |
| C14 | C15 | H15 | 119.3° | 120.0° |
| C15 | C14 | C16 | 118.7° | 120.2° |
| C15 | C14 | O13 | 119.1° | 119.9° |
| C16 | C18 | H18 | 118.5° | 120.1° |
| C18 | C16 | C14 | 119.1° | 120.1° |
| C18 | C16 | H16 | 120.4° | 119.9° |
| C14 | C16 | H16 | 120.4° | 120.0° |
| C16 | C14 | O13 | 122.1° | 119.9° |
| C14 | O13 | C12 | 121.3° | 117.0° |
| O13 | C12 | C8 | 111.1° | 109.5° |
| O13 | C12 | H12 | 108.9° | 109.5° |
| O13 | C12 | H12A | 108.6° | 109.4° |
| C8 | C12 | H12 | 108.9° | 109.5° |
| C8 | C12 | H12A | 108.6° | 109.5° |
| C12 | C8 | O5 | 108.6° | 109.5° |
| C12 | C8 | H8 | 109.8° | 109.4° |
| C12 | C8 | H8A | 109.9° | 109.5° |
| H12 | C12 | H12A | 110.7° | 109.5° |
| O5 | C8 | H8 | 109.7° | 109.5° |
| O5 | C8 | H8A | 110.0° | 109.5° |
| C8 | O5 | C3 | 118.6° | 117.0° |
| H8 | C8 | H8A | 108.8° | 109.5° |
| O5 | C3 | C2 | 123.0° | 120.1° |
| O5 | C3 | C6 | 120.5° | 120.1° |
| C2 | C3 | C6 | 116.5° | 119.9° |
| C3 | C2 | C4 | 120.2° | 119.9° |
| C3 | C2 | CL1 | 120.1° | 120.0° |
| C3 | C6 | C10 | 120.2° | 119.9° |
| C3 | C6 | CL9 | 116.4° | 120.0° |
| C10 | C6 | CL9 | 123.4° | 120.1° |
| C6 | C10 | C7 | 120.6° | 120.1° |
| C6 | C10 | H10 | 119.8° | 119.9° |
| C7 | C10 | H10 | 119.7° | 120.0° |
| C10 | C7 | C4 | 121.7° | 120.1° |
| C10 | C7 | C11 | 120.9° | 119.9° |
| C4 | C7 | C11 | 117.5° | 119.9° |
| C7 | C4 | C2 | 120.8° | 120.0° |
| C7 | C4 | H4 | 119.6° | 120.0° |
| C7 | C11 | H11 | 109.5° | 109.5° |
| C7 | C11 | H11A | 109.5° | 109.5° |
| C7 | C11 | H11B | 109.4° | 109.5° |
| H11 | C11 | H11A | 109.5° | 109.4° |
| H11 | C11 | H11B | 109.5° | 109.5° |
| H11A | C11 | H11B | 109.5° | 109.5° |
| C2 | C4 | H4 | 119.6° | 120.0° |
| C4 | C2 | CL1 | 119.7° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O26 | C23 | N27 | C21 | 179.5° | 179.7° |
| O26 | C23 | N27 | C31 | 178.5° | 173.7° |
| O26 | C23 | N27 | C32 | 6.3° | 6.3° |
| O26 | C23 | C21 | C20 | 111.2° | 0.1° |
| O26 | C23 | C21 | C24 | 64.7° | 179.7° |
| C23 | N27 | C31 | C32 | 172.9° | 180.0° |
| C23 | N27 | C32 | C36 | 79.2° | 92.4° |
| C23 | N27 | C32 | H32 | 160.8° | 147.6° |
| C23 | N27 | C32 | H32A | 33.3° | 27.5° |
| C23 | N27 | C31 | C34 | 133.3° | 94.7° |
| C23 | N27 | C31 | C35 | 69.9° | 163.4° |
| C23 | N27 | C31 | H31 | 78.3° | 50.9° |
| N27 | C23 | C21 | C20 | 69.2° | 179.8° |
| N27 | C23 | C21 | C24 | 114.9° | 0.0° |
| C21 | C23 | N27 | C31 | 1.9° | 6.6° |
| C21 | C23 | N27 | C32 | 174.1° | 173.4° |
| C23 | C21 | C20 | C24 | 175.9° | 179.7° |
| C23 | C21 | C24 | N28 | 163.6° | 157.0° |
| C23 | C21 | C24 | C29 | 80.2° | 85.8° |
| C23 | C21 | C24 | H24 | 42.5° | 35.7° |
| C23 | C21 | C20 | C22 | 171.1° | 178.1° |
| C23 | C21 | C20 | C19 | 11.0° | 1.7° |
| C31 | N27 | C32 | C36 | 107.9° | 87.6° |
| C31 | N27 | C32 | H32 | 12.1° | 32.4° |
| C31 | N27 | C32 | H32A | 139.6° | 152.4° |
| N27 | C31 | C34 | C35 | 101.7° | 107.5° |
| N27 | C31 | C34 | H31 | 132.4° | 144.9° |
| N27 | C31 | C35 | H31 | 132.5° | 145.0° |
| N27 | C31 | C35 | H35 | 18.9° | 0.0° |
| N27 | C31 | C35 | H35A | 132.2° | 145.0° |
| N27 | C31 | C34 | H34 | 138.3° | 145.0° |
| N27 | C31 | C34 | H34A | 25.1° | 0.1° |
| N27 | C32 | C36 | H32 | 120.0° | 120.1° |
| N27 | C32 | C36 | H32A | 112.5° | 120.0° |
| N27 | C32 | H32 | H32A | 114.0° | 120.0° |
| N27 | C32 | C36 | C37 | 178.3° | 173.9° |
| N27 | C32 | C36 | C38 | 0.3° | 5.8° |
| C32 | N27 | C31 | C34 | 53.8° | 85.2° |
| C32 | N27 | C31 | C35 | 117.3° | 16.6° |
| C32 | N27 | C31 | H31 | 94.5° | 129.2° |
| C36 | C32 | H32 | H32A | 114.0° | 119.9° |
| C32 | C36 | C37 | C38 | 178.0° | 179.7° |
| C32 | C36 | C38 | C41 | 179.1° | 180.0° |
| C32 | C36 | C38 | H38 | 0.9° | 0.1° |
| C32 | C36 | C37 | C39 | 178.8° | 179.7° |
| C32 | C36 | C37 | C40 | 0.8° | 0.0° |
| H32 | C32 | C36 | C37 | 58.3° | 53.8° |
| H32 | C32 | C36 | C38 | 119.7° | 125.8° |
| H32A | C32 | C36 | C37 | 69.2° | 66.2° |
| H32A | C32 | C36 | C38 | 112.8° | 114.2° |
| C37 | C36 | C38 | C41 | 1.2° | 0.3° |
| C37 | C36 | C38 | H38 | 178.8° | 179.8° |
| C36 | C37 | C39 | C42 | 0.3° | 0.6° |
| C36 | C37 | C39 | C40 | 179.6° | 179.7° |
| C36 | C37 | C39 | C43 | 179.7° | 179.7° |
| C36 | C37 | C40 | H40 | 80.6° | 95.6° |
| C36 | C37 | C40 | H40A | 39.5° | 144.3° |
| C36 | C37 | C40 | H40B | 159.5° | 24.3° |
| C36 | C38 | C41 | H38 | 180.0° | 179.9° |
| C36 | C38 | C41 | C42 | 1.1° | 0.1° |
| C36 | C38 | C41 | H41 | 178.9° | 180.0° |
| C38 | C36 | C37 | C39 | 0.8° | 0.6° |
| C38 | C36 | C37 | C40 | 178.8° | 179.7° |
| C38 | C41 | C42 | H41 | 180.0° | 180.0° |
| C38 | C41 | C42 | C39 | 0.6° | 0.1° |
| C38 | C41 | C42 | H42 | 179.4° | 180.0° |
| H38 | C38 | C41 | C42 | 178.9° | 180.0° |
| H38 | C38 | C41 | H41 | 1.1° | 0.1° |
| C41 | C42 | C39 | H42 | 180.0° | 179.9° |
| C41 | C42 | C39 | C37 | 0.3° | 0.3° |
| C41 | C42 | C39 | C43 | 179.7° | 180.0° |
| H41 | C41 | C42 | C39 | 179.3° | 180.0° |
| H41 | C41 | C42 | H42 | 0.6° | 0.0° |
| C42 | C39 | C37 | C43 | 179.4° | 179.7° |
| C42 | C39 | C43 | H43 | 11.7° | 90.0° |
| C42 | C39 | C43 | H43A | 108.3° | 150.0° |
| C42 | C39 | C43 | H43B | 131.7° | 30.0° |
| C42 | C39 | C37 | C40 | 179.3° | 179.7° |
| H42 | C42 | C39 | C37 | 179.8° | 179.7° |
| H42 | C42 | C39 | C43 | 0.4° | 0.0° |
| C37 | C39 | C43 | H43 | 168.9° | 89.7° |
| C37 | C39 | C43 | H43A | 71.1° | 30.3° |
| C37 | C39 | C43 | H43B | 48.9° | 150.3° |
| C39 | C37 | C40 | H40 | 99.1° | 84.0° |
| C39 | C37 | C40 | H40A | 140.9° | 36.0° |
| C39 | C37 | C40 | H40B | 20.9° | 156.0° |
| C39 | C43 | H43 | H43A | 120.0° | 120.0° |
| C39 | C43 | H43 | H43B | 120.0° | 120.0° |
| C39 | C43 | H43A | H43B | 120.0° | 120.0° |
| C43 | C39 | C37 | C40 | 0.1° | 0.0° |
| H43 | C43 | H43A | H43B | 120.0° | 120.0° |
| C37 | C40 | H40 | H40A | 120.0° | 120.1° |
| C37 | C40 | H40 | H40B | 120.0° | 120.0° |
| C37 | C40 | H40A | H40B | 120.0° | 120.1° |
| H40 | C40 | H40A | H40B | 120.0° | 119.9° |
| C34 | C31 | C35 | H31 | 126.3° | 107.5° |
| C31 | C34 | C35 | H34 | 120.0° | 107.5° |
| C31 | C34 | C35 | H34A | 126.7° | 107.5° |
| C34 | C31 | C35 | H35 | 120.0° | 107.5° |
| C34 | C31 | C35 | H35A | 126.7° | 107.5° |
| C31 | C34 | H34 | H34A | 138.6° | 145.7° |
| C31 | C35 | H35 | H35A | 138.5° | 145.7° |
| H31 | C31 | C35 | H35 | 113.7° | 145.0° |
| H31 | C31 | C35 | H35A | 0.4° | 0.0° |
| H31 | C31 | C34 | H34 | 5.9° | 0.1° |
| H31 | C31 | C34 | H34A | 107.4° | 145.0° |
| C34 | C35 | H35 | H35A | 138.5° | 145.6° |
| C35 | C34 | H34 | H34A | 138.6° | 145.7° |
| H35 | C35 | C34 | H34 | 120.0° | 145.0° |
| H35 | C35 | C34 | H34A | 6.7° | 0.1° |
| H35A | C35 | C34 | H34 | 6.7° | 0.0° |
| H35A | C35 | C34 | H34A | 106.6° | 145.0° |
| C20 | C21 | C24 | N28 | 20.5° | 23.2° |
| C20 | C21 | C24 | C29 | 95.7° | 93.9° |
| C20 | C21 | C24 | H24 | 141.6° | 144.6° |
| C21 | C20 | C22 | C25 | 0.9° | 12.0° |
| C21 | C20 | C22 | C19 | 178.0° | 179.8° |
| C21 | C20 | C22 | H22 | 119.1° | 108.5° |
| C21 | C20 | C22 | H22A | 118.0° | 132.3° |
| C21 | C20 | C19 | C18 | 128.6° | 65.3° |
| C21 | C20 | C19 | C17 | 51.4° | 115.0° |
| C21 | C24 | N28 | C29 | 118.4° | 117.0° |
| C21 | C24 | N28 | H24 | 119.0° | 121.4° |
| C21 | C24 | C29 | H24 | 119.0° | 121.0° |
| C21 | C24 | N28 | C25 | 54.0° | 55.4° |
| C21 | C24 | N28 | HN28 | 65.9° | 68.1° |
| C21 | C24 | C29 | N33 | 64.1° | 54.5° |
| C21 | C24 | C29 | H29 | 175.9° | 174.1° |
| C21 | C24 | C29 | H29A | 56.3° | 65.2° |
| C24 | C21 | C20 | C22 | 4.8° | 2.2° |
| C24 | C21 | C20 | C19 | 173.1° | 178.0° |
| N28 | C24 | C29 | H24 | 120.9° | 121.1° |
| C24 | N28 | C25 | HN28 | 120.0° | 123.5° |
| N28 | C24 | C29 | N33 | 56.1° | 63.4° |
| N28 | C24 | C29 | H29 | 63.9° | 56.1° |
| N28 | C24 | C29 | H29A | 176.4° | 176.9° |
| C24 | N28 | C25 | C30 | 59.5° | 56.6° |
| C24 | N28 | C25 | C22 | 59.0° | 67.9° |
| C24 | N28 | C25 | H25 | 179.9° | 175.1° |
| C29 | C24 | N28 | C25 | 64.4° | 61.6° |
| C29 | C24 | N28 | HN28 | 175.7° | 174.9° |
| C24 | C29 | N33 | H29 | 120.0° | 119.5° |
| C24 | C29 | N33 | H29A | 120.4° | 119.6° |
| C24 | C29 | H29 | H29A | 120.4° | 120.8° |
| C24 | C29 | N33 | C30 | 52.4° | 61.2° |
| C24 | C29 | N33 | HN33 | 172.4° | 174.9° |
| H24 | C24 | N28 | C25 | 173.1° | 176.8° |
| H24 | C24 | N28 | HN28 | 53.1° | 53.3° |
| H24 | C24 | C29 | N33 | 176.9° | 175.5° |
| H24 | C24 | C29 | H29 | 56.9° | 64.9° |
| H24 | C24 | C29 | H29A | 62.7° | 55.8° |
| N28 | C25 | C30 | N33 | 43.9° | 53.1° |
| N28 | C25 | C30 | C22 | 120.1° | 123.6° |
| N28 | C25 | C30 | H25 | 118.8° | 118.4° |
| N28 | C25 | C30 | H30 | 76.1° | 67.2° |
| N28 | C25 | C30 | H30A | 164.2° | 173.5° |
| N28 | C25 | C22 | H25 | 118.8° | 117.4° |
| N28 | C25 | C22 | C20 | 30.8° | 43.4° |
| N28 | C25 | C22 | H22 | 89.2° | 77.2° |
| N28 | C25 | C22 | H22A | 148.0° | 163.5° |
| HN28 | N28 | C25 | C30 | 179.5° | 179.8° |
| HN28 | N28 | C25 | C22 | 61.0° | 55.6° |
| HN28 | N28 | C25 | H25 | 60.1° | 61.4° |
| N33 | C29 | H29 | H29A | 120.4° | 120.9° |
| C29 | N33 | C30 | HN33 | 120.0° | 123.9° |
| C29 | N33 | C30 | C25 | 45.1° | 56.2° |
| C29 | N33 | C30 | H30 | 74.9° | 64.2° |
| C29 | N33 | C30 | H30A | 165.4° | 176.6° |
| H29 | C29 | N33 | C30 | 67.6° | 58.3° |
| H29 | C29 | N33 | HN33 | 52.5° | 65.6° |
| H29A | C29 | N33 | C30 | 172.8° | 179.1° |
| H29A | C29 | N33 | HN33 | 67.1° | 55.2° |
| N33 | C30 | C25 | H30 | 120.0° | 120.4° |
| N33 | C30 | C25 | H30A | 120.3° | 120.4° |
| N33 | C30 | H30 | H30A | 120.3° | 119.2° |
| N33 | C30 | C25 | C22 | 76.1° | 70.5° |
| N33 | C30 | C25 | H25 | 162.7° | 171.5° |
| HN33 | N33 | C30 | C25 | 165.1° | 179.9° |
| HN33 | N33 | C30 | H30 | 45.1° | 59.7° |
| HN33 | N33 | C30 | H30A | 74.6° | 59.5° |
| C25 | C30 | H30 | H30A | 120.3° | 119.3° |
| C30 | C25 | C22 | H25 | 120.4° | 118.4° |
| C30 | C25 | C22 | C20 | 90.0° | 80.9° |
| C30 | C25 | C22 | H22 | 150.0° | 158.6° |
| C30 | C25 | C22 | H22A | 27.1° | 39.2° |
| H30 | C30 | C25 | C22 | 163.9° | 169.2° |
| H30 | C30 | C25 | H25 | 42.7° | 51.2° |
| H30A | C30 | C25 | C22 | 44.2° | 49.9° |
| H30A | C30 | C25 | H25 | 77.0° | 68.1° |
| C25 | C22 | C20 | H22 | 120.0° | 120.5° |
| C25 | C22 | C20 | H22A | 117.2° | 120.3° |
| C25 | C22 | H22 | H22A | 117.4° | 119.4° |
| C25 | C22 | C20 | C19 | 178.9° | 168.2° |
| H25 | C25 | C22 | C20 | 149.6° | 160.7° |
| H25 | C25 | C22 | H22 | 29.6° | 40.2° |
| H25 | C25 | C22 | H22A | 93.3° | 79.2° |
| C20 | C22 | H22 | H22A | 117.4° | 119.1° |
| C22 | C20 | C19 | C18 | 49.3° | 114.9° |
| C22 | C20 | C19 | C17 | 130.6° | 64.8° |
| H22 | C22 | C20 | C19 | 58.9° | 71.3° |
| H22A | C22 | C20 | C19 | 63.9° | 47.9° |
| C20 | C19 | C18 | C17 | 179.9° | 179.7° |
| C20 | C19 | C17 | C15 | 178.7° | 179.9° |
| C20 | C19 | C17 | H17 | 1.3° | 0.1° |
| C20 | C19 | C18 | C16 | 179.2° | 180.0° |
| C20 | C19 | C18 | H18 | 0.9° | 0.0° |
| C18 | C19 | C17 | C15 | 1.4° | 0.2° |
| C18 | C19 | C17 | H17 | 178.7° | 179.8° |
| C19 | C18 | C16 | H18 | 180.0° | 180.0° |
| C19 | C18 | C16 | C14 | 0.3° | 0.0° |
| C19 | C18 | C16 | H16 | 179.7° | 180.0° |
| C19 | C17 | C15 | H17 | 180.0° | 180.0° |
| C19 | C17 | C15 | C14 | 0.6° | 0.1° |
| C19 | C17 | C15 | H15 | 179.4° | 180.0° |
| C17 | C19 | C18 | C16 | 0.9° | 0.2° |
| C17 | C19 | C18 | H18 | 179.1° | 179.7° |
| C17 | C15 | C14 | H15 | 180.0° | 179.9° |
| C17 | C15 | C14 | C16 | 0.6° | 0.3° |
| C17 | C15 | C14 | O13 | 179.8° | 179.9° |
| H17 | C17 | C15 | C14 | 179.4° | 179.9° |
| H17 | C17 | C15 | H15 | 0.6° | 0.0° |
| C15 | C14 | C16 | C18 | 1.0° | 0.3° |
| C15 | C14 | C16 | O13 | 179.1° | 179.8° |
| C15 | C14 | C16 | H16 | 178.9° | 179.8° |
| C15 | C14 | O13 | C12 | 159.5° | 180.0° |
| H15 | C15 | C14 | C16 | 179.4° | 179.8° |
| H15 | C15 | C14 | O13 | 0.3° | 0.0° |
| C18 | C16 | C14 | H16 | 180.0° | 179.9° |
| C18 | C16 | C14 | O13 | 179.8° | 179.9° |
| H18 | C18 | C16 | C14 | 179.7° | 180.0° |
| H18 | C18 | C16 | H16 | 0.3° | 0.1° |
| C16 | C14 | O13 | C12 | 21.4° | 0.2° |
| H16 | C16 | C14 | O13 | 0.2° | 0.0° |
| C14 | O13 | C12 | C8 | 123.8° | 180.0° |
| C14 | O13 | C12 | H12 | 3.8° | 59.9° |
| C14 | O13 | C12 | H12A | 116.9° | 60.0° |
| O13 | C12 | C8 | H12 | 120.0° | 120.0° |
| O13 | C12 | C8 | H12A | 119.3° | 119.9° |
| O13 | C12 | H12 | H12A | 119.3° | 119.9° |
| O13 | C12 | C8 | O5 | 96.4° | 65.0° |
| O13 | C12 | C8 | H8 | 143.6° | 175.0° |
| O13 | C12 | C8 | H8A | 24.0° | 55.0° |
| C8 | C12 | H12 | H12A | 119.3° | 120.0° |
| C12 | C8 | O5 | H8 | 120.0° | 120.0° |
| C12 | C8 | O5 | H8A | 120.4° | 120.0° |
| C12 | C8 | H8 | H8A | 120.3° | 120.0° |
| C12 | C8 | O5 | C3 | 153.8° | 180.0° |
| H12 | C12 | C8 | O5 | 23.6° | 55.0° |
| H12 | C12 | C8 | H8 | 96.3° | 65.0° |
| H12 | C12 | C8 | H8A | 144.0° | 175.0° |
| H12A | C12 | C8 | O5 | 144.3° | 175.0° |
| H12A | C12 | C8 | H8 | 24.3° | 55.0° |
| H12A | C12 | C8 | H8A | 95.3° | 65.0° |
| O5 | C8 | H8 | H8A | 120.4° | 120.1° |
| C8 | O5 | C3 | C2 | 69.6° | 90.3° |
| C8 | O5 | C3 | C6 | 109.7° | 90.0° |
| H8 | C8 | O5 | C3 | 86.3° | 60.0° |
| H8A | C8 | O5 | C3 | 33.4° | 60.0° |
| O5 | C3 | C2 | C6 | 179.3° | 179.8° |
| O5 | C3 | C6 | C10 | 179.5° | 180.0° |
| O5 | C3 | C6 | CL9 | 1.0° | 0.0° |
| O5 | C3 | C2 | C4 | 178.9° | 179.7° |
| O5 | C3 | C2 | CL1 | 1.2° | 0.0° |
| C2 | C3 | C6 | C10 | 0.2° | 0.2° |
| C2 | C3 | C6 | CL9 | 179.6° | 179.7° |
| C3 | C2 | C4 | C7 | 0.4° | 0.5° |
| C3 | C2 | C4 | CL1 | 179.9° | 179.8° |
| C3 | C2 | C4 | H4 | 179.6° | 179.8° |
| C3 | C6 | C10 | CL9 | 179.4° | 180.0° |
| C3 | C6 | C10 | C7 | 0.8° | 0.0° |
| C3 | C6 | C10 | H10 | 179.2° | 180.0° |
| C6 | C3 | C2 | C4 | 0.4° | 0.5° |
| C6 | C3 | C2 | CL1 | 179.5° | 179.7° |
| C6 | C10 | C7 | H10 | 180.0° | 180.0° |
| C6 | C10 | C7 | C4 | 0.8° | 0.1° |
| C6 | C10 | C7 | C11 | 179.6° | 180.0° |
| CL9 | C6 | C10 | C7 | 179.8° | 180.0° |
| CL9 | C6 | C10 | H10 | 0.2° | 0.0° |
| C10 | C7 | C4 | C11 | 179.6° | 179.9° |
| C10 | C7 | C11 | H11 | 19.1° | 90.1° |
| C10 | C7 | C11 | H11A | 139.1° | 150.0° |
| C10 | C7 | C11 | H11B | 100.9° | 29.9° |
| C10 | C7 | C4 | C2 | 0.2° | 0.3° |
| C10 | C7 | C4 | H4 | 179.8° | 180.0° |
| H10 | C10 | C7 | C4 | 179.2° | 180.0° |
| H10 | C10 | C7 | C11 | 0.4° | 0.1° |
| C4 | C7 | C11 | H11 | 160.5° | 90.0° |
| C4 | C7 | C11 | H11A | 40.6° | 30.0° |
| C4 | C7 | C11 | H11B | 79.5° | 150.0° |
| C7 | C4 | C2 | H4 | 180.0° | 179.7° |
| C7 | C4 | C2 | CL1 | 179.5° | 179.7° |
| C7 | C11 | H11 | H11A | 120.0° | 120.0° |
| C7 | C11 | H11 | H11B | 120.0° | 120.1° |
| C7 | C11 | H11A | H11B | 120.0° | 120.0° |
| C11 | C7 | C4 | C2 | 179.8° | 179.8° |
| C11 | C7 | C4 | H4 | 0.2° | 0.1° |
| H11 | C11 | H11A | H11B | 120.0° | 120.0° |
| H4 | C4 | C2 | CL1 | 0.6° | 0.0° |
