A1ADB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C2 | doub | 1.21Å | 1.23Å | |
| C2 | C3 | sing | 1.48Å | 1.50Å | |
| C3 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | N8 | sing | 1.40Å | 1.41Å | |
| N8 | C9 | sing | 1.39Å | 1.38Å | |
| C9 | C10 | sing | 1.42Å | 1.43Å | Aromatic |
| C10 | C11 | doub | 1.40Å | 1.42Å | Aromatic |
| C11 | C12 | sing | 1.36Å | 1.36Å | Aromatic |
| C12 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.36Å | 1.37Å | Aromatic |
| C10 | C15 | sing | 1.42Å | 1.42Å | Aromatic |
| C15 | N16 | sing | 1.34Å | 1.37Å | Aromatic |
| N16 | C17 | doub | 1.31Å | 1.32Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.38Å | Aromatic |
| C7 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | N20 | sing | 1.35Å | 1.36Å | |
| N20 | C21 | sing | 1.40Å | 1.42Å | |
| C21 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.51Å | 1.50Å | |
| C24 | N25 | sing | 1.47Å | 1.51Å | |
| N25 | C26 | sing | 1.47Å | 1.50Å | |
| C26 | C27 | sing | 1.53Å | 1.52Å | |
| C27 | N28 | sing | 1.47Å | 1.49Å | |
| N28 | C29 | sing | 1.47Å | 1.49Å | |
| N28 | C30 | sing | 1.47Å | 1.49Å | |
| C30 | C31 | sing | 1.53Å | 1.52Å | |
| C23 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| C32 | C33 | sing | 1.39Å | 1.39Å | Aromatic |
| C33 | N34 | sing | 1.40Å | 1.42Å | |
| N34 | C35 | sing | 1.39Å | 1.39Å | |
| C35 | N36 | doub | 1.33Å | 1.34Å | Aromatic |
| N36 | C37 | sing | 1.32Å | 1.35Å | Aromatic |
| C37 | N38 | sing | 1.38Å | 1.33Å | |
| C37 | N39 | doub | 1.33Å | 1.35Å | Aromatic |
| N39 | C40 | sing | 1.33Å | 1.34Å | Aromatic |
| C40 | C41 | sing | 1.51Å | 1.50Å | |
| C40 | C42 | doub | 1.38Å | 1.38Å | Aromatic |
| C33 | C43 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | C3 | sing | 1.40Å | 1.39Å | Aromatic |
| C18 | C9 | doub | 1.39Å | 1.38Å | Aromatic |
| C15 | C14 | doub | 1.40Å | 1.41Å | Aromatic |
| C43 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C31 | N25 | sing | 1.47Å | 1.50Å | |
| C42 | C35 | sing | 1.40Å | 1.39Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C24 | H24B | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C26 | H26B | sing | 1.09Å | 1.10Å | |
| C27 | H27B | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C29 | H29C | sing | 1.09Å | 1.10Å | |
| C29 | H29B | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C30 | H30B | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| C31 | H31B | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C41 | H41C | sing | 1.09Å | 1.10Å | |
| C41 | H41A | sing | 1.09Å | 1.10Å | |
| C41 | H41B | sing | 1.09Å | 1.10Å | |
| C42 | H42 | sing | 1.08Å | 1.08Å | |
| C43 | H43 | sing | 1.08Å | 1.08Å | |
| N20 | H20 | sing | 0.97Å | 1.00Å | |
| N34 | H34 | sing | 0.97Å | 1.00Å | |
| N38 | H38B | sing | 0.97Å | 1.00Å | |
| N38 | H38A | sing | 0.97Å | 1.00Å | |
| N8 | H8 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C2 | C3 | 119.7° | 120.0° |
| O1 | C2 | N20 | 121.7° | 120.1° |
| C2 | C3 | C4 | 125.2° | 120.2° |
| C3 | C2 | N20 | 118.6° | 120.0° |
| C2 | C3 | C19 | 115.4° | 120.1° |
| C3 | C4 | C5 | 120.4° | 120.0° |
| C4 | C3 | C19 | 119.1° | 119.7° |
| C3 | C4 | H4 | 119.8° | 119.9° |
| C4 | C5 | C6 | 120.3° | 120.2° |
| C5 | C4 | H4 | 119.8° | 120.0° |
| C4 | C5 | H5 | 119.8° | 119.9° |
| C5 | C6 | C7 | 119.8° | 120.3° |
| C6 | C5 | H5 | 119.9° | 119.9° |
| C5 | C6 | H6 | 120.1° | 119.9° |
| C6 | C7 | N8 | 122.5° | 120.0° |
| C6 | C7 | C19 | 119.8° | 120.0° |
| C7 | C6 | H6 | 120.1° | 119.9° |
| C7 | N8 | C9 | 126.2° | 120.0° |
| N8 | C7 | C19 | 117.6° | 120.0° |
| C7 | N8 | H8 | 116.9° | 120.0° |
| N8 | C9 | C10 | 119.3° | 121.1° |
| N8 | C9 | C18 | 122.6° | 121.0° |
| C9 | N8 | H8 | 116.9° | 120.0° |
| C9 | C10 | C11 | 123.7° | 121.3° |
| C9 | C10 | C15 | 118.0° | 119.0° |
| C10 | C9 | C18 | 118.1° | 117.9° |
| C10 | C11 | C12 | 121.0° | 119.6° |
| C11 | C10 | C15 | 118.2° | 119.7° |
| C10 | C11 | H11 | 119.5° | 120.2° |
| C11 | C12 | C13 | 120.6° | 120.9° |
| C12 | C11 | H11 | 119.5° | 120.3° |
| C11 | C12 | H12 | 119.7° | 119.6° |
| C12 | C13 | C14 | 120.6° | 121.0° |
| C13 | C12 | H12 | 119.7° | 119.6° |
| C12 | C13 | H13 | 119.7° | 119.5° |
| C13 | C14 | C15 | 120.5° | 119.8° |
| C14 | C13 | H13 | 119.7° | 119.5° |
| C13 | C14 | H14 | 119.8° | 120.1° |
| C10 | C15 | N16 | 122.2° | 119.9° |
| C10 | C15 | C14 | 119.1° | 119.1° |
| C15 | N16 | C17 | 117.3° | 121.7° |
| N16 | C15 | C14 | 118.6° | 121.0° |
| N16 | C17 | C18 | 124.8° | 121.9° |
| N16 | C17 | H17 | 117.6° | 119.1° |
| C17 | C18 | C9 | 119.6° | 119.7° |
| C18 | C17 | H17 | 117.6° | 119.0° |
| C17 | C18 | H18 | 120.2° | 120.2° |
| C7 | C19 | C3 | 120.5° | 119.8° |
| C7 | C19 | H19 | 119.7° | 120.1° |
| C2 | N20 | C21 | 134.0° | 120.0° |
| C2 | N20 | H20 | 113.0° | 120.0° |
| N20 | C21 | C22 | 127.6° | 120.0° |
| N20 | C21 | C43 | 112.8° | 120.0° |
| C21 | N20 | H20 | 113.0° | 120.0° |
| C21 | C22 | C23 | 120.7° | 120.1° |
| C22 | C21 | C43 | 119.4° | 119.9° |
| C21 | C22 | H22 | 119.6° | 119.9° |
| C22 | C23 | C24 | 120.8° | 120.0° |
| C22 | C23 | C32 | 119.4° | 120.1° |
| C23 | C22 | H22 | 119.7° | 120.0° |
| C23 | C24 | N25 | 112.0° | 109.5° |
| C24 | C23 | C32 | 119.8° | 119.9° |
| C23 | C24 | H24A | 108.8° | 109.5° |
| C23 | C24 | H24B | 108.9° | 109.4° |
| C24 | N25 | C26 | 112.3° | 111.0° |
| C24 | N25 | C31 | 112.8° | 111.0° |
| N25 | C24 | H24A | 108.8° | 109.5° |
| N25 | C24 | H24B | 108.8° | 109.5° |
| N25 | C26 | C27 | 108.9° | 109.4° |
| C26 | N25 | C31 | 111.4° | 110.9° |
| N25 | C26 | H26A | 109.6° | 109.5° |
| N25 | C26 | H26B | 109.6° | 109.5° |
| C26 | C27 | N28 | 110.8° | 109.4° |
| C27 | C26 | H26A | 109.6° | 109.5° |
| C27 | C26 | H26B | 109.6° | 109.5° |
| C26 | C27 | H27B | 109.2° | 109.5° |
| C26 | C27 | H27A | 109.2° | 109.5° |
| C27 | N28 | C29 | 111.4° | 111.0° |
| C27 | N28 | C30 | 110.1° | 110.9° |
| N28 | C27 | H27B | 109.1° | 109.5° |
| N28 | C27 | H27A | 109.1° | 109.5° |
| C29 | N28 | C30 | 111.4° | 111.0° |
| N28 | C29 | H29C | 109.5° | 109.5° |
| N28 | C29 | H29B | 109.5° | 109.4° |
| N28 | C29 | H29A | 109.5° | 109.5° |
| N28 | C30 | C31 | 110.9° | 109.4° |
| N28 | C30 | H30A | 109.1° | 109.5° |
| N28 | C30 | H30B | 109.1° | 109.5° |
| C30 | C31 | N25 | 109.7° | 109.4° |
| C31 | C30 | H30A | 109.1° | 109.5° |
| C31 | C30 | H30B | 109.1° | 109.5° |
| C30 | C31 | H31A | 109.4° | 109.5° |
| C30 | C31 | H31B | 109.4° | 109.5° |
| C23 | C32 | C33 | 120.7° | 120.1° |
| C23 | C32 | H32 | 119.6° | 120.0° |
| C32 | C33 | N34 | 119.5° | 120.1° |
| C32 | C33 | C43 | 119.5° | 119.9° |
| C33 | C32 | H32 | 119.7° | 119.9° |
| C33 | N34 | C35 | 129.7° | 120.0° |
| N34 | C33 | C43 | 121.0° | 120.1° |
| C33 | N34 | H34 | 115.1° | 119.9° |
| N34 | C35 | N36 | 118.7° | 120.4° |
| N34 | C35 | C42 | 117.8° | 120.5° |
| C35 | N34 | H34 | 115.2° | 120.1° |
| C35 | N36 | C37 | 115.3° | 120.6° |
| N36 | C35 | C42 | 123.1° | 119.0° |
| N36 | C37 | N38 | 117.7° | 119.2° |
| N36 | C37 | N39 | 125.7° | 121.7° |
| N38 | C37 | N39 | 116.5° | 119.1° |
| C37 | N38 | H38B | 109.5° | 120.0° |
| C37 | N38 | H38A | 109.4° | 120.0° |
| C37 | N39 | C40 | 117.5° | 120.9° |
| N39 | C40 | C41 | 116.7° | 120.4° |
| N39 | C40 | C42 | 121.3° | 119.3° |
| C41 | C40 | C42 | 121.5° | 120.4° |
| C40 | C41 | H41C | 109.5° | 109.5° |
| C40 | C41 | H41A | 109.5° | 109.5° |
| C40 | C41 | H41B | 109.5° | 109.5° |
| C40 | C42 | C35 | 117.1° | 118.5° |
| C40 | C42 | H42 | 121.4° | 120.8° |
| C33 | C43 | C21 | 120.4° | 119.9° |
| C33 | C43 | H43 | 119.8° | 120.0° |
| C3 | C19 | H19 | 119.8° | 120.1° |
| C9 | C18 | H18 | 120.2° | 120.2° |
| C15 | C14 | H14 | 119.8° | 120.1° |
| C21 | C43 | H43 | 119.8° | 120.1° |
| N25 | C31 | H31A | 109.5° | 109.5° |
| N25 | C31 | H31B | 109.5° | 109.5° |
| C35 | C42 | H42 | 121.4° | 120.7° |
| H24A | C24 | H24B | 109.5° | 109.5° |
| H26A | C26 | H26B | 109.5° | 109.5° |
| H27B | C27 | H27A | 109.5° | 109.5° |
| H29C | C29 | H29B | 109.5° | 109.4° |
| H29C | C29 | H29A | 109.4° | 109.5° |
| H29B | C29 | H29A | 109.5° | 109.5° |
| H30A | C30 | H30B | 109.5° | 109.5° |
| H31A | C31 | H31B | 109.4° | 109.5° |
| H41C | C41 | H41A | 109.5° | 109.4° |
| H41C | C41 | H41B | 109.4° | 109.5° |
| H41A | C41 | H41B | 109.5° | 109.5° |
| H38B | N38 | H38A | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C2 | C3 | N20 | 179.6° | 179.7° |
| O1 | C2 | C3 | C4 | 114.5° | 179.7° |
| O1 | C2 | N20 | C21 | 177.6° | 6.7° |
| O1 | C2 | C3 | C19 | 60.4° | 0.0° |
| O1 | C2 | N20 | H20 | 2.4° | 173.4° |
| C2 | C3 | C4 | C19 | 174.8° | 179.8° |
| C2 | C3 | C4 | C5 | 174.7° | 180.0° |
| C2 | C3 | C19 | C7 | 175.1° | 179.7° |
| C3 | C2 | N20 | C21 | 2.0° | 173.6° |
| C2 | C3 | C4 | H4 | 5.3° | 0.0° |
| C2 | C3 | C19 | H19 | 4.9° | 0.3° |
| C3 | C2 | N20 | H20 | 178.0° | 6.3° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.0° | 0.1° |
| C4 | C3 | C19 | C7 | 0.1° | 0.5° |
| C4 | C3 | C2 | N20 | 65.9° | 0.0° |
| C3 | C4 | C5 | H5 | 180.0° | 180.0° |
| C4 | C3 | C19 | H19 | 179.9° | 180.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 0.1° | 0.0° |
| C5 | C4 | C3 | C19 | 0.1° | 0.2° |
| C4 | C5 | C6 | H6 | 179.9° | 180.0° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | N8 | 178.5° | 179.9° |
| C5 | C6 | C7 | C19 | 0.0° | 0.3° |
| C6 | C5 | C4 | H4 | 180.0° | 180.0° |
| C6 | C7 | N8 | C19 | 178.5° | 179.8° |
| C6 | C7 | N8 | C9 | 70.2° | 142.0° |
| C6 | C7 | C19 | C3 | 0.1° | 0.5° |
| C7 | C6 | C5 | H5 | 179.9° | 180.0° |
| C6 | C7 | C19 | H19 | 179.9° | 180.0° |
| C6 | C7 | N8 | H8 | 109.8° | 38.1° |
| C7 | N8 | C9 | H8 | 180.0° | 179.9° |
| C7 | N8 | C9 | C10 | 149.3° | 171.1° |
| N8 | C7 | C19 | C3 | 178.6° | 179.6° |
| C7 | N8 | C9 | C18 | 30.9° | 8.7° |
| N8 | C7 | C6 | H6 | 1.5° | 0.1° |
| N8 | C7 | C19 | H19 | 1.4° | 0.2° |
| N8 | C9 | C10 | C18 | 179.8° | 179.8° |
| N8 | C9 | C10 | C11 | 2.6° | 0.1° |
| N8 | C9 | C10 | C15 | 179.9° | 179.8° |
| N8 | C9 | C18 | C17 | 179.8° | 179.8° |
| C9 | N8 | C7 | C19 | 108.3° | 38.2° |
| N8 | C9 | C18 | H18 | 0.2° | 0.2° |
| C9 | C10 | C11 | C15 | 177.5° | 179.9° |
| C9 | C10 | C11 | C12 | 177.4° | 179.9° |
| C9 | C10 | C15 | N16 | 0.1° | 0.0° |
| C10 | C9 | C18 | C17 | 0.0° | 0.1° |
| C9 | C10 | C15 | C14 | 177.6° | 180.0° |
| C9 | C10 | C11 | H11 | 2.6° | 0.1° |
| C10 | C9 | C18 | H18 | 180.0° | 180.0° |
| C10 | C9 | N8 | H8 | 30.6° | 8.8° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.1° | 0.0° |
| C11 | C10 | C15 | N16 | 177.8° | 179.9° |
| C11 | C10 | C9 | C18 | 177.6° | 180.0° |
| C11 | C10 | C15 | C14 | 0.1° | 0.0° |
| C10 | C11 | C12 | H12 | 179.9° | 180.0° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.1° | 0.0° |
| C12 | C11 | C10 | C15 | 0.2° | 0.0° |
| C11 | C12 | C13 | H13 | 179.9° | 180.0° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.2° | 0.0° |
| C13 | C12 | C11 | H11 | 179.9° | 180.0° |
| C12 | C13 | C14 | H14 | 179.8° | 180.0° |
| C13 | C14 | C15 | C10 | 0.0° | 0.1° |
| C13 | C14 | C15 | N16 | 177.7° | 179.9° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C14 | C13 | C12 | H12 | 179.9° | 179.9° |
| C10 | C15 | N16 | C14 | 177.7° | 180.0° |
| C10 | C15 | N16 | C17 | 0.0° | 0.0° |
| C15 | C10 | C9 | C18 | 0.1° | 0.1° |
| C15 | C10 | C11 | H11 | 179.8° | 180.0° |
| C10 | C15 | C14 | H14 | 180.0° | 180.0° |
| C15 | N16 | C17 | C18 | 0.1° | 0.0° |
| N16 | C15 | C14 | H14 | 2.3° | 0.1° |
| C15 | N16 | C17 | H17 | 180.0° | 180.0° |
| N16 | C17 | C18 | H17 | 180.0° | 180.0° |
| N16 | C17 | C18 | C9 | 0.0° | 0.0° |
| C17 | N16 | C15 | C14 | 177.6° | 180.0° |
| N16 | C17 | C18 | H18 | 179.9° | 180.0° |
| C17 | C18 | C9 | H18 | 180.0° | 180.0° |
| C7 | C19 | C3 | H19 | 180.0° | 179.4° |
| C19 | C7 | C6 | H6 | 180.0° | 179.7° |
| C19 | C7 | N8 | H8 | 71.7° | 141.7° |
| C2 | N20 | C21 | H20 | 180.0° | 179.9° |
| C2 | N20 | C21 | C22 | 27.8° | 148.5° |
| N20 | C2 | C3 | C19 | 119.2° | 179.7° |
| C2 | N20 | C21 | C43 | 158.0° | 31.7° |
| N20 | C21 | C22 | C43 | 173.8° | 179.8° |
| N20 | C21 | C22 | C23 | 173.7° | 179.8° |
| N20 | C21 | C43 | C33 | 174.5° | 179.7° |
| N20 | C21 | C22 | H22 | 6.3° | 0.3° |
| N20 | C21 | C43 | H43 | 5.5° | 0.2° |
| C21 | C22 | C23 | H22 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 179.7° | 180.0° |
| C21 | C22 | C23 | C32 | 0.1° | 0.0° |
| C22 | C21 | C43 | C33 | 0.1° | 0.1° |
| C22 | C21 | C43 | H43 | 179.9° | 180.0° |
| C22 | C21 | N20 | H20 | 152.2° | 31.6° |
| C22 | C23 | C24 | C32 | 179.8° | 180.0° |
| C22 | C23 | C24 | N25 | 143.8° | 90.0° |
| C22 | C23 | C32 | C33 | 0.2° | 0.0° |
| C23 | C22 | C21 | C43 | 0.1° | 0.0° |
| C22 | C23 | C24 | H24A | 23.4° | 150.0° |
| C22 | C23 | C24 | H24B | 95.8° | 30.0° |
| C22 | C23 | C32 | H32 | 179.8° | 179.9° |
| C23 | C24 | N25 | H24A | 120.4° | 120.0° |
| C23 | C24 | N25 | H24B | 120.4° | 119.9° |
| C23 | C24 | N25 | C26 | 94.5° | 66.2° |
| C24 | C23 | C32 | C33 | 179.6° | 180.0° |
| C23 | C24 | N25 | C31 | 138.7° | 170.0° |
| C24 | C23 | C22 | H22 | 0.3° | 0.0° |
| C23 | C24 | H24A | H24B | 118.9° | 119.9° |
| C24 | C23 | C32 | H32 | 0.4° | 0.0° |
| C24 | N25 | C26 | C31 | 127.6° | 123.9° |
| C24 | N25 | C26 | C27 | 166.2° | 176.8° |
| C24 | N25 | C31 | C30 | 103.1° | 176.8° |
| N25 | C24 | C23 | C32 | 36.4° | 90.0° |
| N25 | C24 | H24A | H24B | 118.8° | 120.0° |
| C24 | N25 | C26 | H26A | 73.9° | 63.2° |
| C24 | N25 | C26 | H26B | 46.2° | 56.8° |
| C24 | N25 | C31 | H31A | 136.9° | 56.8° |
| C24 | N25 | C31 | H31B | 17.0° | 63.2° |
| N25 | C26 | C27 | H26A | 119.9° | 120.0° |
| N25 | C26 | C27 | H26B | 119.9° | 120.0° |
| N25 | C26 | C27 | N28 | 68.3° | 58.4° |
| C26 | N25 | C31 | C30 | 24.2° | 59.3° |
| C26 | N25 | C24 | H24A | 25.9° | 53.8° |
| C26 | N25 | C24 | H24B | 145.1° | 173.8° |
| N25 | C26 | H26A | H26B | 120.2° | 120.0° |
| N25 | C26 | C27 | H27B | 51.8° | 61.6° |
| N25 | C26 | C27 | H27A | 171.5° | 178.4° |
| C26 | N25 | C31 | H31A | 95.8° | 179.3° |
| C26 | N25 | C31 | H31B | 144.3° | 60.7° |
| C26 | C27 | N28 | H27B | 120.2° | 120.0° |
| C26 | C27 | N28 | H27A | 120.2° | 120.0° |
| C26 | C27 | N28 | C29 | 97.6° | 64.5° |
| C26 | C27 | N28 | C30 | 26.6° | 59.3° |
| C27 | C26 | N25 | C31 | 38.6° | 59.3° |
| C27 | C26 | H26A | H26B | 120.3° | 120.1° |
| C26 | C27 | H27B | H27A | 119.4° | 120.0° |
| C27 | N28 | C29 | C30 | 123.5° | 123.7° |
| C27 | N28 | C30 | C31 | 37.8° | 59.3° |
| N28 | C27 | C26 | H26A | 171.8° | 61.6° |
| N28 | C27 | C26 | H26B | 51.6° | 178.4° |
| N28 | C27 | H27B | H27A | 119.4° | 120.0° |
| C27 | N28 | C29 | H29C | 180.0° | 60.0° |
| C27 | N28 | C29 | H29B | 60.0° | 180.0° |
| C27 | N28 | C29 | H29A | 60.0° | 60.1° |
| C27 | N28 | C30 | H30A | 158.0° | 179.2° |
| C27 | N28 | C30 | H30B | 82.4° | 60.7° |
| C29 | N28 | C30 | C31 | 162.0° | 64.5° |
| C29 | N28 | C27 | H27B | 142.2° | 175.5° |
| C29 | N28 | C27 | H27A | 22.6° | 55.5° |
| N28 | C29 | H29C | H29B | 120.0° | 120.0° |
| N28 | C29 | H29C | H29A | 120.0° | 120.0° |
| N28 | C29 | H29B | H29A | 120.0° | 120.0° |
| C29 | N28 | C30 | H30A | 77.8° | 55.5° |
| C29 | N28 | C30 | H30B | 41.8° | 175.5° |
| N28 | C30 | C31 | H30A | 120.2° | 120.0° |
| N28 | C30 | C31 | H30B | 120.2° | 120.0° |
| N28 | C30 | C31 | N25 | 66.8° | 58.4° |
| C30 | N28 | C27 | H27B | 93.6° | 60.7° |
| C30 | N28 | C27 | H27A | 146.8° | 179.3° |
| C30 | N28 | C29 | H29C | 56.5° | 63.7° |
| C30 | N28 | C29 | H29B | 176.5° | 56.2° |
| C30 | N28 | C29 | H29A | 63.4° | 176.2° |
| N28 | C30 | H30A | H30B | 119.4° | 120.1° |
| N28 | C30 | C31 | H31A | 53.3° | 178.4° |
| N28 | C30 | C31 | H31B | 173.2° | 61.6° |
| C30 | C31 | N25 | H31A | 120.0° | 120.0° |
| C30 | C31 | N25 | H31B | 120.0° | 120.0° |
| C31 | C30 | H30A | H30B | 119.3° | 120.0° |
| C30 | C31 | H31A | H31B | 119.9° | 120.0° |
| C23 | C32 | C33 | H32 | 180.0° | 179.9° |
| C23 | C32 | C33 | N34 | 177.9° | 180.0° |
| C23 | C32 | C33 | C43 | 0.2° | 0.1° |
| C32 | C23 | C22 | H22 | 179.9° | 180.0° |
| C32 | C23 | C24 | H24A | 156.8° | 30.0° |
| C32 | C23 | C24 | H24B | 84.0° | 150.0° |
| C32 | C33 | N34 | C43 | 178.1° | 179.9° |
| C32 | C33 | N34 | C35 | 42.2° | 38.7° |
| C32 | C33 | C43 | C21 | 0.0° | 0.1° |
| C32 | C33 | C43 | H43 | 180.0° | 180.0° |
| C32 | C33 | N34 | H34 | 137.8° | 141.3° |
| C33 | N34 | C35 | H34 | 180.0° | 179.9° |
| C33 | N34 | C35 | N36 | 170.1° | 172.0° |
| N34 | C33 | C43 | C21 | 178.1° | 180.0° |
| C33 | N34 | C35 | C42 | 3.0° | 8.3° |
| N34 | C33 | C32 | H32 | 2.1° | 0.1° |
| N34 | C33 | C43 | H43 | 1.9° | 0.1° |
| N34 | C35 | N36 | C42 | 172.8° | 179.7° |
| N34 | C35 | N36 | C37 | 171.8° | 179.7° |
| N34 | C35 | C42 | C40 | 171.5° | 179.7° |
| C35 | N34 | C33 | C43 | 135.9° | 141.2° |
| N34 | C35 | C42 | H42 | 8.5° | 0.3° |
| C35 | N36 | C37 | N38 | 175.9° | 180.0° |
| C35 | N36 | C37 | N39 | 0.7° | 0.0° |
| N36 | C35 | C42 | C40 | 1.3° | 0.0° |
| N36 | C35 | C42 | H42 | 178.7° | 179.9° |
| N36 | C35 | N34 | H34 | 9.9° | 7.9° |
| N36 | C37 | N38 | N39 | 177.0° | 180.0° |
| N36 | C37 | N39 | C40 | 0.9° | 0.0° |
| C37 | N36 | C35 | C42 | 0.9° | 0.0° |
| N36 | C37 | N38 | H38B | 0.0° | 180.0° |
| N36 | C37 | N38 | H38A | 120.0° | 0.1° |
| N38 | C37 | N39 | C40 | 175.8° | 180.0° |
| C37 | N38 | H38B | H38A | 120.0° | 179.9° |
| C37 | N39 | C40 | C41 | 170.6° | 180.0° |
| C37 | N39 | C40 | C42 | 1.2° | 0.0° |
| N39 | C37 | N38 | H38B | 176.9° | 0.1° |
| N39 | C37 | N38 | H38A | 57.0° | 180.0° |
| N39 | C40 | C41 | C42 | 171.8° | 180.0° |
| N39 | C40 | C42 | C35 | 1.4° | 0.0° |
| N39 | C40 | C41 | H41C | 0.0° | 90.0° |
| N39 | C40 | C41 | H41A | 120.0° | 30.0° |
| N39 | C40 | C41 | H41B | 120.0° | 150.0° |
| N39 | C40 | C42 | H42 | 178.6° | 180.0° |
| C41 | C40 | C42 | C35 | 170.0° | 180.0° |
| C40 | C41 | H41C | H41A | 120.0° | 120.0° |
| C40 | C41 | H41C | H41B | 120.0° | 120.0° |
| C40 | C41 | H41A | H41B | 120.0° | 120.0° |
| C41 | C40 | C42 | H42 | 10.0° | 0.0° |
| C40 | C42 | C35 | H42 | 180.0° | 179.9° |
| C42 | C40 | C41 | H41C | 171.8° | 90.0° |
| C42 | C40 | C41 | H41A | 51.8° | 150.0° |
| C42 | C40 | C41 | H41B | 68.2° | 30.0° |
| C33 | C43 | C21 | H43 | 180.0° | 179.9° |
| C43 | C33 | C32 | H32 | 179.8° | 180.0° |
| C43 | C33 | N34 | H34 | 44.1° | 38.8° |
| C19 | C3 | C4 | H4 | 179.9° | 179.7° |
| C9 | C18 | C17 | H17 | 180.0° | 179.9° |
| C18 | C9 | N8 | H8 | 149.2° | 171.4° |
| C15 | C14 | C13 | H13 | 179.9° | 180.0° |
| C43 | C21 | C22 | H22 | 179.9° | 179.9° |
| C43 | C21 | N20 | H20 | 21.9° | 148.2° |
| C31 | N25 | C24 | H24A | 101.0° | 70.0° |
| C31 | N25 | C24 | H24B | 18.3° | 50.1° |
| C31 | N25 | C26 | H26A | 158.5° | 60.7° |
| C31 | N25 | C26 | H26B | 81.3° | 179.3° |
| N25 | C31 | C30 | H30A | 173.0° | 178.4° |
| N25 | C31 | C30 | H30B | 53.5° | 61.6° |
| N25 | C31 | H31A | H31B | 119.9° | 120.0° |
| C42 | C35 | N34 | H34 | 177.0° | 171.8° |
| H4 | C4 | C5 | H5 | 0.0° | 0.1° |
| H5 | C5 | C6 | H6 | 0.1° | 0.1° |
| H11 | C11 | C12 | H12 | 0.1° | 0.0° |
| H12 | C12 | C13 | H13 | 0.1° | 0.1° |
| H13 | C13 | C14 | H14 | 0.1° | 0.0° |
| H17 | C17 | C18 | H18 | 0.0° | 0.1° |
| H26A | C26 | C27 | H27B | 68.0° | 178.5° |
| H26A | C26 | C27 | H27A | 51.6° | 58.4° |
| H26B | C26 | C27 | H27B | 171.8° | 58.4° |
| H26B | C26 | C27 | H27A | 68.6° | 61.6° |
| H29C | C29 | H29B | H29A | 119.9° | 120.0° |
| H30A | C30 | C31 | H31A | 66.9° | 61.6° |
| H30A | C30 | C31 | H31B | 53.0° | 58.4° |
| H30B | C30 | C31 | H31A | 173.5° | 58.4° |
| H30B | C30 | C31 | H31B | 66.6° | 178.4° |
| H41C | C41 | H41A | H41B | 120.0° | 120.0° |
