A1AJC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.50Å | |
| C2 | N3 | sing | 1.47Å | 1.47Å | |
| N3 | C4 | sing | 1.46Å | 1.48Å | |
| C4 | C5 | sing | 1.53Å | 1.50Å | |
| N3 | C6 | sing | 1.35Å | 1.35Å | |
| C6 | O7 | doub | 1.22Å | 1.23Å | |
| C6 | C8 | sing | 1.48Å | 1.50Å | |
| C8 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.40Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.37Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.37Å | Aromatic |
| C13 | F14 | sing | 1.35Å | 1.34Å | |
| C10 | C15 | sing | 1.48Å | 1.48Å | |
| C15 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
| C17 | N18 | doub | 1.33Å | 1.34Å | Aromatic |
| N18 | C19 | sing | 1.32Å | 1.34Å | Aromatic |
| C19 | N20 | doub | 1.32Å | 1.34Å | Aromatic |
| C19 | N21 | sing | 1.38Å | 1.35Å | |
| N21 | C22 | sing | 1.46Å | 1.45Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C23 | C24 | sing | 1.53Å | 1.54Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C25 | C26 | sing | 1.53Å | 1.51Å | |
| C26 | C27 | sing | 1.53Å | 1.52Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C23 | C29 | sing | 1.53Å | 1.55Å | |
| C29 | C30 | sing | 1.51Å | 1.52Å | |
| C30 | O31 | doub | 1.21Å | 1.23Å | |
| C30 | N32 | sing | 1.35Å | 1.33Å | |
| N32 | C33 | sing | 1.47Å | 1.46Å | |
| C17 | N34 | sing | 1.39Å | 1.37Å | |
| N34 | C35 | sing | 1.47Å | 1.46Å | |
| N34 | C36 | sing | 1.46Å | 1.48Å | |
| C36 | C37 | sing | 1.53Å | 1.53Å | |
| C37 | C38 | sing | 1.53Å | 1.53Å | |
| C38 | N39 | sing | 1.47Å | 1.47Å | |
| N39 | C40 | sing | 1.47Å | 1.46Å | |
| C40 | C41 | sing | 1.53Å | 1.52Å | |
| N39 | C42 | sing | 1.35Å | 1.35Å | |
| C42 | O43 | doub | 1.22Å | 1.22Å | |
| C42 | C44 | sing | 1.48Å | 1.50Å | |
| C44 | C45 | doub | 1.40Å | 1.41Å | Aromatic |
| C45 | C46 | sing | 1.36Å | 1.39Å | Aromatic |
| C46 | C47 | doub | 1.39Å | 1.39Å | Aromatic |
| C47 | C48 | sing | 1.41Å | 1.39Å | Aromatic |
| C48 | C49 | doub | 1.39Å | 1.40Å | Aromatic |
| C48 | N50 | sing | 1.36Å | 1.40Å | Aromatic |
| N50 | C51 | doub | 1.30Å | 1.31Å | Aromatic |
| C51 | N52 | sing | 1.36Å | 1.38Å | Aromatic |
| N52 | C53 | sing | 1.40Å | 1.44Å | |
| C53 | C54 | doub | 1.39Å | 1.39Å | Aromatic |
| C54 | C55 | sing | 1.38Å | 1.39Å | Aromatic |
| C55 | C56 | doub | 1.38Å | 1.38Å | Aromatic |
| C56 | C57 | sing | 1.38Å | 1.38Å | Aromatic |
| C57 | C58 | doub | 1.38Å | 1.39Å | Aromatic |
| C51 | C59 | sing | 1.51Å | 1.48Å | |
| C13 | C8 | sing | 1.40Å | 1.38Å | Aromatic |
| N20 | C15 | sing | 1.33Å | 1.34Å | Aromatic |
| C28 | C23 | sing | 1.53Å | 1.54Å | |
| C41 | C36 | sing | 1.53Å | 1.54Å | |
| C49 | C44 | sing | 1.39Å | 1.40Å | Aromatic |
| N52 | C47 | sing | 1.38Å | 1.42Å | Aromatic |
| C58 | C53 | sing | 1.39Å | 1.39Å | Aromatic |
| C40 | H40A | sing | 1.09Å | 1.10Å | |
| C40 | H40B | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C35 | H35B | sing | 1.09Å | 1.10Å | |
| C35 | H35A | sing | 1.09Å | 1.10Å | |
| C35 | H35C | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å | |
| C33 | H33B | sing | 1.09Å | 1.10Å | |
| C33 | H33C | sing | 1.09Å | 1.10Å | |
| C37 | H37A | sing | 1.09Å | 1.10Å | |
| C37 | H37B | sing | 1.09Å | 1.10Å | |
| C4 | H4B | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C26 | H26B | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1C | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C2 | H2B | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C5 | H5B | sing | 1.09Å | 1.10Å | |
| C5 | H5C | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| N21 | H21 | sing | 0.97Å | 1.00Å | |
| C22 | H22B | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C24 | H24B | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C25 | H25B | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C27 | H27B | sing | 1.09Å | 1.10Å | |
| C28 | H28B | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C29 | H29B | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| N32 | H32 | sing | 0.97Å | 1.00Å | |
| C38 | H38A | sing | 1.09Å | 1.10Å | |
| C38 | H38B | sing | 1.09Å | 1.10Å | |
| C41 | H41A | sing | 1.09Å | 1.10Å | |
| C41 | H41B | sing | 1.09Å | 1.10Å | |
| C45 | H45 | sing | 1.08Å | 1.08Å | |
| C46 | H46 | sing | 1.08Å | 1.08Å | |
| C49 | H49 | sing | 1.08Å | 1.08Å | |
| C54 | H54 | sing | 1.08Å | 1.08Å | |
| C55 | H55 | sing | 1.08Å | 1.08Å | |
| C56 | H56 | sing | 1.08Å | 1.08Å | |
| C57 | H57 | sing | 1.08Å | 1.08Å | |
| C58 | H58 | sing | 1.08Å | 1.08Å | |
| C59 | H59A | sing | 1.09Å | 1.10Å | |
| C59 | H59C | sing | 1.09Å | 1.10Å | |
| C59 | H59B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | N3 | 111.6° | 109.5° |
| C2 | C1 | H1A | 109.5° | 109.5° |
| C2 | C1 | H1C | 109.5° | 109.5° |
| C2 | C1 | H1B | 109.5° | 109.5° |
| C1 | C2 | H2B | 108.9° | 109.5° |
| C1 | C2 | H2A | 108.9° | 109.4° |
| C2 | N3 | C4 | 115.6° | 120.0° |
| C2 | N3 | C6 | 117.2° | 119.9° |
| N3 | C2 | H2B | 108.9° | 109.5° |
| N3 | C2 | H2A | 108.9° | 109.4° |
| N3 | C4 | C5 | 113.4° | 109.5° |
| C4 | N3 | C6 | 127.2° | 120.0° |
| N3 | C4 | H4B | 108.5° | 109.4° |
| N3 | C4 | H4A | 108.5° | 109.5° |
| C5 | C4 | H4B | 108.5° | 109.5° |
| C5 | C4 | H4A | 108.5° | 109.5° |
| C4 | C5 | H5B | 109.5° | 109.4° |
| C4 | C5 | H5C | 109.5° | 109.5° |
| C4 | C5 | H5A | 109.5° | 109.4° |
| N3 | C6 | O7 | 122.3° | 120.0° |
| N3 | C6 | C8 | 117.9° | 120.0° |
| O7 | C6 | C8 | 119.8° | 120.0° |
| C6 | C8 | C9 | 119.7° | 120.1° |
| C6 | C8 | C13 | 122.5° | 120.1° |
| C8 | C9 | C10 | 121.0° | 119.8° |
| C9 | C8 | C13 | 117.5° | 119.8° |
| C8 | C9 | H9 | 119.5° | 120.1° |
| C9 | C10 | C11 | 118.8° | 119.9° |
| C9 | C10 | C15 | 119.7° | 120.1° |
| C10 | C9 | H9 | 119.5° | 120.1° |
| C10 | C11 | C12 | 121.1° | 120.2° |
| C11 | C10 | C15 | 121.4° | 120.0° |
| C10 | C11 | H11 | 119.4° | 119.9° |
| C11 | C12 | C13 | 118.6° | 120.2° |
| C12 | C11 | H11 | 119.5° | 119.9° |
| C11 | C12 | H12 | 120.7° | 119.9° |
| C12 | C13 | F14 | 118.4° | 120.0° |
| C12 | C13 | C8 | 123.0° | 120.0° |
| C13 | C12 | H12 | 120.7° | 119.9° |
| F14 | C13 | C8 | 118.6° | 120.0° |
| C10 | C15 | C16 | 121.9° | 120.5° |
| C10 | C15 | N20 | 115.7° | 120.4° |
| C15 | C16 | C17 | 117.0° | 118.4° |
| C16 | C15 | N20 | 122.3° | 119.1° |
| C15 | C16 | H16 | 121.5° | 120.8° |
| C16 | C17 | N18 | 121.5° | 119.1° |
| C16 | C17 | N34 | 121.7° | 120.4° |
| C17 | C16 | H16 | 121.5° | 120.8° |
| C17 | N18 | C19 | 116.6° | 120.8° |
| N18 | C17 | N34 | 116.8° | 120.4° |
| N18 | C19 | N20 | 126.2° | 121.8° |
| N18 | C19 | N21 | 116.6° | 119.1° |
| N20 | C19 | N21 | 117.2° | 119.1° |
| C19 | N20 | C15 | 116.3° | 120.8° |
| C19 | N21 | C22 | 125.2° | 120.0° |
| C19 | N21 | H21 | 105.4° | 120.0° |
| N21 | C22 | C23 | 114.3° | 109.5° |
| C22 | N21 | H21 | 105.4° | 120.0° |
| N21 | C22 | H22B | 108.2° | 109.5° |
| N21 | C22 | H22A | 108.3° | 109.4° |
| C22 | C23 | C24 | 109.4° | 109.4° |
| C22 | C23 | C29 | 110.1° | 109.5° |
| C22 | C23 | C28 | 108.7° | 109.4° |
| C23 | C22 | H22B | 108.3° | 109.5° |
| C23 | C22 | H22A | 108.2° | 109.5° |
| C23 | C24 | C25 | 113.9° | 109.5° |
| C24 | C23 | C29 | 110.2° | 109.5° |
| C24 | C23 | C28 | 108.3° | 109.5° |
| C23 | C24 | H24B | 108.4° | 109.5° |
| C23 | C24 | H24A | 108.4° | 109.4° |
| C24 | C25 | C26 | 111.4° | 109.5° |
| C25 | C24 | H24B | 108.4° | 109.5° |
| C25 | C24 | H24A | 108.4° | 109.4° |
| C24 | C25 | H25B | 109.0° | 109.5° |
| C24 | C25 | H25A | 109.0° | 109.4° |
| C25 | C26 | C27 | 111.0° | 109.5° |
| C25 | C26 | H26B | 109.1° | 109.4° |
| C25 | C26 | H26A | 109.1° | 109.5° |
| C26 | C25 | H25B | 109.0° | 109.5° |
| C26 | C25 | H25A | 109.0° | 109.5° |
| C26 | C27 | C28 | 111.5° | 109.5° |
| C27 | C26 | H26B | 109.1° | 109.5° |
| C27 | C26 | H26A | 109.1° | 109.5° |
| C26 | C27 | H27A | 109.0° | 109.5° |
| C26 | C27 | H27B | 109.0° | 109.4° |
| C27 | C28 | C23 | 113.5° | 109.5° |
| C28 | C27 | H27A | 109.0° | 109.5° |
| C28 | C27 | H27B | 109.0° | 109.5° |
| C27 | C28 | H28B | 108.4° | 109.5° |
| C27 | C28 | H28A | 108.4° | 109.5° |
| C23 | C29 | C30 | 115.5° | 109.4° |
| C29 | C23 | C28 | 110.1° | 109.5° |
| C23 | C29 | H29B | 107.9° | 109.5° |
| C23 | C29 | H29A | 107.9° | 109.5° |
| C29 | C30 | O31 | 121.1° | 120.0° |
| C29 | C30 | N32 | 116.6° | 120.0° |
| C30 | C29 | H29B | 107.9° | 109.5° |
| C30 | C29 | H29A | 107.9° | 109.5° |
| O31 | C30 | N32 | 122.3° | 120.0° |
| C30 | N32 | C33 | 122.5° | 120.0° |
| C30 | N32 | H32 | 118.8° | 120.0° |
| N32 | C33 | H33A | 109.5° | 109.4° |
| N32 | C33 | H33B | 109.5° | 109.4° |
| N32 | C33 | H33C | 109.5° | 109.5° |
| C33 | N32 | H32 | 118.8° | 120.0° |
| C17 | N34 | C35 | 119.5° | 120.0° |
| C17 | N34 | C36 | 121.5° | 120.0° |
| C35 | N34 | C36 | 118.9° | 120.0° |
| N34 | C35 | H35B | 109.5° | 109.5° |
| N34 | C35 | H35A | 109.5° | 109.5° |
| N34 | C35 | H35C | 109.5° | 109.5° |
| N34 | C36 | C37 | 111.8° | 109.5° |
| N34 | C36 | C41 | 111.7° | 109.5° |
| N34 | C36 | H36 | 106.2° | 109.5° |
| C36 | C37 | C38 | 111.2° | 109.3° |
| C37 | C36 | C41 | 114.9° | 109.5° |
| C37 | C36 | H36 | 105.8° | 109.4° |
| C36 | C37 | H37A | 109.0° | 109.5° |
| C36 | C37 | H37B | 109.0° | 109.5° |
| C37 | C38 | N39 | 109.5° | 108.8° |
| C38 | C37 | H37A | 109.0° | 109.5° |
| C38 | C37 | H37B | 109.0° | 109.5° |
| C37 | C38 | H38A | 109.4° | 109.6° |
| C37 | C38 | H38B | 109.5° | 109.6° |
| C38 | N39 | C40 | 109.5° | 118.7° |
| C38 | N39 | C42 | 128.7° | 120.6° |
| N39 | C38 | H38A | 109.5° | 109.6° |
| N39 | C38 | H38B | 109.5° | 109.6° |
| N39 | C40 | C41 | 109.3° | 108.8° |
| C40 | N39 | C42 | 121.0° | 120.6° |
| N39 | C40 | H40A | 109.5° | 109.6° |
| N39 | C40 | H40B | 109.5° | 109.7° |
| C40 | C41 | C36 | 111.6° | 109.3° |
| C41 | C40 | H40A | 109.5° | 109.6° |
| C41 | C40 | H40B | 109.5° | 109.6° |
| C40 | C41 | H41A | 108.9° | 109.5° |
| C40 | C41 | H41B | 109.0° | 109.5° |
| N39 | C42 | O43 | 121.4° | 120.0° |
| N39 | C42 | C44 | 118.7° | 120.0° |
| O43 | C42 | C44 | 119.7° | 120.1° |
| C42 | C44 | C45 | 121.4° | 119.9° |
| C42 | C44 | C49 | 118.4° | 119.9° |
| C44 | C45 | C46 | 121.1° | 120.5° |
| C45 | C44 | C49 | 120.2° | 120.2° |
| C44 | C45 | H45 | 119.5° | 119.8° |
| C45 | C46 | C47 | 117.9° | 120.1° |
| C46 | C45 | H45 | 119.5° | 119.7° |
| C45 | C46 | H46 | 121.0° | 120.0° |
| C46 | C47 | C48 | 122.0° | 120.2° |
| C46 | C47 | N52 | 133.0° | 133.9° |
| C47 | C46 | H46 | 121.1° | 119.9° |
| C47 | C48 | C49 | 119.8° | 119.5° |
| C47 | C48 | N50 | 110.2° | 107.0° |
| C48 | C47 | N52 | 105.0° | 105.9° |
| C49 | C48 | N50 | 130.0° | 133.5° |
| C48 | C49 | C44 | 119.0° | 119.5° |
| C48 | C49 | H49 | 120.5° | 120.2° |
| C48 | N50 | C51 | 106.0° | 109.6° |
| N50 | C51 | N52 | 112.4° | 110.1° |
| N50 | C51 | C59 | 124.7° | 125.0° |
| C51 | N52 | C53 | 126.6° | 126.3° |
| N52 | C51 | C59 | 122.9° | 124.9° |
| C51 | N52 | C47 | 106.5° | 107.4° |
| N52 | C53 | C54 | 120.3° | 120.1° |
| C53 | N52 | C47 | 126.7° | 126.3° |
| N52 | C53 | C58 | 120.0° | 120.0° |
| C53 | C54 | C55 | 119.9° | 119.9° |
| C54 | C53 | C58 | 119.7° | 119.9° |
| C53 | C54 | H54 | 120.1° | 120.1° |
| C54 | C55 | C56 | 120.5° | 120.1° |
| C55 | C54 | H54 | 120.1° | 120.0° |
| C54 | C55 | H55 | 119.8° | 120.0° |
| C55 | C56 | C57 | 119.7° | 120.2° |
| C56 | C55 | H55 | 119.7° | 120.0° |
| C55 | C56 | H56 | 120.1° | 119.9° |
| C56 | C57 | C58 | 120.5° | 120.0° |
| C57 | C56 | H56 | 120.1° | 119.9° |
| C56 | C57 | H57 | 119.7° | 120.0° |
| C57 | C58 | C53 | 119.8° | 119.9° |
| C58 | C57 | H57 | 119.8° | 120.0° |
| C57 | C58 | H58 | 120.1° | 120.1° |
| C51 | C59 | H59A | 109.5° | 109.5° |
| C51 | C59 | H59C | 109.4° | 109.5° |
| C51 | C59 | H59B | 109.5° | 109.4° |
| C23 | C28 | H28B | 108.4° | 109.4° |
| C23 | C28 | H28A | 108.5° | 109.5° |
| C41 | C36 | H36 | 105.7° | 109.5° |
| C36 | C41 | H41A | 108.9° | 109.5° |
| C36 | C41 | H41B | 108.9° | 109.5° |
| C44 | C49 | H49 | 120.5° | 120.2° |
| C53 | C58 | H58 | 120.1° | 120.0° |
| H40A | C40 | H40B | 109.5° | 109.6° |
| H35B | C35 | H35A | 109.5° | 109.5° |
| H35B | C35 | H35C | 109.5° | 109.4° |
| H35A | C35 | H35C | 109.5° | 109.4° |
| H33A | C33 | H33B | 109.5° | 109.5° |
| H33A | C33 | H33C | 109.4° | 109.5° |
| H33B | C33 | H33C | 109.5° | 109.5° |
| H37A | C37 | H37B | 109.5° | 109.6° |
| H4B | C4 | H4A | 109.4° | 109.4° |
| H26B | C26 | H26A | 109.5° | 109.5° |
| H1A | C1 | H1C | 109.5° | 109.5° |
| H1A | C1 | H1B | 109.4° | 109.4° |
| H1C | C1 | H1B | 109.5° | 109.5° |
| H2B | C2 | H2A | 109.5° | 109.5° |
| H5B | C5 | H5C | 109.5° | 109.5° |
| H5B | C5 | H5A | 109.5° | 109.5° |
| H5C | C5 | H5A | 109.5° | 109.5° |
| H22B | C22 | H22A | 109.5° | 109.5° |
| H24B | C24 | H24A | 109.4° | 109.5° |
| H25B | C25 | H25A | 109.5° | 109.5° |
| H27A | C27 | H27B | 109.4° | 109.4° |
| H28B | C28 | H28A | 109.5° | 109.4° |
| H29B | C29 | H29A | 109.5° | 109.5° |
| H38A | C38 | H38B | 109.4° | 109.7° |
| H41A | C41 | H41B | 109.5° | 109.5° |
| H59A | C59 | H59C | 109.5° | 109.5° |
| H59A | C59 | H59B | 109.5° | 109.4° |
| H59C | C59 | H59B | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | N3 | H2B | 120.3° | 120.0° |
| C1 | C2 | N3 | H2A | 120.3° | 119.9° |
| C1 | C2 | N3 | C4 | 90.5° | 95.5° |
| C1 | C2 | N3 | C6 | 88.4° | 84.5° |
| C2 | C1 | H1A | H1C | 120.0° | 120.0° |
| C2 | C1 | H1A | H1B | 120.0° | 120.0° |
| C2 | C1 | H1C | H1B | 120.0° | 120.0° |
| C1 | C2 | H2B | H2A | 119.0° | 120.0° |
| C2 | N3 | C4 | C6 | 178.8° | 180.0° |
| C2 | N3 | C4 | C5 | 72.5° | 90.0° |
| C2 | N3 | C6 | O7 | 7.0° | 174.7° |
| C2 | N3 | C6 | C8 | 173.6° | 5.3° |
| C2 | N3 | C4 | H4B | 48.1° | 30.0° |
| C2 | N3 | C4 | H4A | 166.9° | 150.0° |
| N3 | C2 | C1 | H1A | 180.0° | 60.0° |
| N3 | C2 | C1 | H1C | 60.0° | 60.0° |
| N3 | C2 | C1 | H1B | 60.0° | 179.9° |
| N3 | C2 | H2B | H2A | 119.0° | 120.0° |
| N3 | C4 | C5 | H4B | 120.6° | 120.0° |
| N3 | C4 | C5 | H4A | 120.6° | 120.0° |
| C4 | N3 | C6 | O7 | 174.2° | 5.3° |
| C4 | N3 | C6 | C8 | 5.2° | 174.7° |
| N3 | C4 | H4B | H4A | 118.2° | 120.0° |
| C4 | N3 | C2 | H2B | 149.1° | 144.5° |
| C4 | N3 | C2 | H2A | 29.8° | 24.4° |
| N3 | C4 | C5 | H5B | 180.0° | 60.0° |
| N3 | C4 | C5 | H5C | 60.0° | 60.0° |
| N3 | C4 | C5 | H5A | 60.0° | 180.0° |
| C5 | C4 | N3 | C6 | 108.6° | 90.0° |
| C5 | C4 | H4B | H4A | 118.2° | 120.0° |
| C4 | C5 | H5B | H5C | 120.0° | 120.0° |
| C4 | C5 | H5B | H5A | 120.0° | 119.9° |
| C4 | C5 | H5C | H5A | 120.0° | 120.0° |
| N3 | C6 | O7 | C8 | 179.4° | 180.0° |
| N3 | C6 | C8 | C9 | 129.4° | 54.8° |
| N3 | C6 | C8 | C13 | 56.9° | 125.2° |
| C6 | N3 | C4 | H4B | 130.8° | 150.0° |
| C6 | N3 | C4 | H4A | 12.0° | 30.1° |
| C6 | N3 | C2 | H2B | 31.9° | 35.5° |
| C6 | N3 | C2 | H2A | 151.3° | 155.6° |
| O7 | C6 | C8 | C9 | 50.0° | 125.2° |
| O7 | C6 | C8 | C13 | 123.6° | 54.9° |
| C6 | C8 | C9 | C13 | 174.0° | 180.0° |
| C6 | C8 | C9 | C10 | 173.7° | 180.0° |
| C6 | C8 | C13 | C12 | 173.5° | 179.4° |
| C6 | C8 | C13 | F14 | 4.1° | 0.0° |
| C6 | C8 | C9 | H9 | 6.4° | 0.3° |
| C8 | C9 | C10 | H9 | 180.0° | 179.7° |
| C8 | C9 | C10 | C11 | 0.1° | 0.3° |
| C9 | C8 | C13 | C12 | 0.3° | 0.5° |
| C9 | C8 | C13 | F14 | 177.9° | 180.0° |
| C8 | C9 | C10 | C15 | 175.7° | 179.7° |
| C9 | C10 | C11 | C15 | 175.7° | 179.9° |
| C9 | C10 | C11 | C12 | 0.4° | 0.0° |
| C9 | C10 | C15 | C16 | 153.8° | 180.0° |
| C10 | C9 | C8 | C13 | 0.3° | 0.0° |
| C9 | C10 | C15 | N20 | 29.3° | 0.0° |
| C9 | C10 | C11 | H11 | 179.5° | 180.0° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.4° | 0.5° |
| C11 | C10 | C15 | C16 | 30.6° | 0.0° |
| C11 | C10 | C15 | N20 | 146.3° | 180.0° |
| C11 | C10 | C9 | H9 | 180.0° | 180.0° |
| C10 | C11 | C12 | H12 | 179.6° | 180.0° |
| C11 | C12 | C13 | H12 | 180.0° | 179.5° |
| C11 | C12 | C13 | F14 | 177.6° | 179.7° |
| C12 | C11 | C10 | C15 | 175.3° | 179.9° |
| C11 | C12 | C13 | C8 | 0.0° | 0.8° |
| C12 | C13 | F14 | C8 | 177.7° | 179.5° |
| C13 | C12 | C11 | H11 | 179.5° | 179.4° |
| F14 | C13 | C12 | H12 | 2.4° | 0.2° |
| C10 | C15 | C16 | N20 | 176.7° | 180.0° |
| C10 | C15 | C16 | C17 | 176.6° | 179.9° |
| C10 | C15 | N20 | C19 | 176.6° | 179.6° |
| C15 | C10 | C9 | H9 | 4.3° | 0.0° |
| C10 | C15 | C16 | H16 | 3.4° | 0.3° |
| C15 | C10 | C11 | H11 | 4.8° | 0.0° |
| C15 | C16 | C17 | H16 | 180.0° | 179.7° |
| C15 | C16 | C17 | N18 | 0.1° | 0.3° |
| C16 | C15 | N20 | C19 | 0.3° | 0.5° |
| C15 | C16 | C17 | N34 | 178.8° | 179.7° |
| C16 | C17 | N18 | N34 | 178.9° | 180.0° |
| C16 | C17 | N18 | C19 | 0.1° | 0.0° |
| C16 | C17 | N34 | C35 | 177.7° | 4.9° |
| C16 | C17 | N34 | C36 | 6.3° | 175.0° |
| C17 | C16 | C15 | N20 | 0.0° | 0.1° |
| C17 | N18 | C19 | N20 | 0.3° | 0.5° |
| C17 | N18 | C19 | N21 | 176.9° | 179.7° |
| N18 | C17 | N34 | C35 | 3.4° | 175.0° |
| N18 | C17 | N34 | C36 | 172.6° | 5.0° |
| N18 | C17 | C16 | H16 | 179.9° | 180.0° |
| N18 | C19 | N20 | N21 | 177.2° | 179.2° |
| N18 | C19 | N21 | C22 | 179.9° | 179.2° |
| C19 | N18 | C17 | N34 | 178.9° | 180.0° |
| N18 | C19 | N20 | C15 | 0.4° | 0.8° |
| N18 | C19 | N21 | H21 | 58.0° | 0.8° |
| N20 | C19 | N21 | C22 | 2.7° | 0.0° |
| N20 | C19 | N21 | H21 | 119.4° | 180.0° |
| C19 | N21 | C22 | H21 | 122.1° | 180.0° |
| C19 | N21 | C22 | C23 | 122.5° | 174.9° |
| N21 | C19 | N20 | C15 | 176.8° | 180.0° |
| C19 | N21 | C22 | H22B | 116.8° | 65.1° |
| C19 | N21 | C22 | H22A | 1.7° | 54.9° |
| N21 | C22 | C23 | H22B | 120.7° | 120.0° |
| N21 | C22 | C23 | H22A | 120.7° | 120.0° |
| N21 | C22 | C23 | C24 | 48.9° | 175.3° |
| N21 | C22 | C23 | C29 | 72.3° | 55.3° |
| N21 | C22 | C23 | C28 | 167.0° | 64.7° |
| N21 | C22 | H22B | H22A | 117.8° | 120.0° |
| C22 | C23 | C24 | C29 | 121.1° | 120.0° |
| C22 | C23 | C24 | C28 | 118.4° | 119.9° |
| C22 | C23 | C24 | C25 | 65.9° | 60.0° |
| C22 | C23 | C28 | C27 | 66.2° | 60.0° |
| C22 | C23 | C29 | C28 | 119.8° | 120.0° |
| C22 | C23 | C29 | C30 | 65.3° | 177.9° |
| C23 | C22 | N21 | H21 | 0.3° | 5.1° |
| C23 | C22 | H22B | H22A | 117.8° | 120.0° |
| C22 | C23 | C24 | H24B | 54.8° | 60.0° |
| C22 | C23 | C24 | H24A | 173.4° | 179.9° |
| C22 | C23 | C28 | H28B | 54.4° | 180.0° |
| C22 | C23 | C28 | H28A | 173.2° | 60.1° |
| C22 | C23 | C29 | H29B | 55.6° | 62.1° |
| C22 | C23 | C29 | H29A | 173.8° | 57.9° |
| C23 | C24 | C25 | H24B | 120.7° | 120.0° |
| C23 | C24 | C25 | H24A | 120.7° | 119.9° |
| C23 | C24 | C25 | C26 | 55.2° | 60.0° |
| C24 | C23 | C28 | C27 | 52.6° | 59.9° |
| C24 | C23 | C29 | C28 | 119.4° | 120.1° |
| C24 | C23 | C29 | C30 | 55.5° | 62.1° |
| C24 | C23 | C22 | H22B | 169.6° | 64.7° |
| C24 | C23 | C22 | H22A | 71.8° | 55.4° |
| C23 | C24 | H24B | H24A | 118.0° | 119.9° |
| C23 | C24 | C25 | H25B | 65.1° | 180.0° |
| C23 | C24 | C25 | H25A | 175.5° | 60.0° |
| C24 | C23 | C28 | H28B | 173.2° | 60.1° |
| C24 | C23 | C28 | H28A | 68.0° | 180.0° |
| C24 | C23 | C29 | H29B | 176.4° | 57.9° |
| C24 | C23 | C29 | H29A | 65.4° | 177.9° |
| C24 | C25 | C26 | H25B | 120.3° | 120.0° |
| C24 | C25 | C26 | H25A | 120.3° | 120.0° |
| C24 | C25 | C26 | C27 | 55.0° | 60.0° |
| C25 | C24 | C23 | C29 | 173.0° | 180.0° |
| C25 | C24 | C23 | C28 | 52.5° | 59.9° |
| C24 | C25 | C26 | H26B | 175.3° | 180.0° |
| C24 | C25 | C26 | H26A | 65.2° | 60.0° |
| C25 | C24 | H24B | H24A | 118.0° | 120.0° |
| C24 | C25 | H25B | H25A | 119.1° | 120.0° |
| C25 | C26 | C27 | H26B | 120.3° | 120.0° |
| C25 | C26 | C27 | H26A | 120.2° | 120.0° |
| C25 | C26 | C27 | C28 | 55.4° | 60.0° |
| C25 | C26 | H26B | H26A | 119.3° | 120.0° |
| C26 | C25 | C24 | H24B | 175.9° | 180.0° |
| C26 | C25 | C24 | H24A | 65.5° | 59.9° |
| C26 | C25 | H25B | H25A | 119.1° | 120.0° |
| C25 | C26 | C27 | H27A | 65.0° | 60.0° |
| C25 | C26 | C27 | H27B | 175.7° | 180.0° |
| C26 | C27 | C28 | H27A | 120.3° | 120.0° |
| C26 | C27 | C28 | H27B | 120.3° | 120.0° |
| C26 | C27 | C28 | C23 | 55.6° | 60.0° |
| C27 | C26 | H26B | H26A | 119.3° | 120.0° |
| C27 | C26 | C25 | H25B | 65.3° | 180.0° |
| C27 | C26 | C25 | H25A | 175.3° | 60.0° |
| C26 | C27 | H27A | H27B | 119.1° | 119.9° |
| C26 | C27 | C28 | H28B | 176.2° | 60.0° |
| C26 | C27 | C28 | H28A | 65.0° | 180.0° |
| C27 | C28 | C23 | C29 | 173.2° | 180.0° |
| C27 | C28 | C23 | H28B | 120.6° | 120.0° |
| C27 | C28 | C23 | H28A | 120.6° | 120.1° |
| C28 | C27 | C26 | H26B | 175.6° | 179.9° |
| C28 | C27 | C26 | H26A | 64.9° | 60.0° |
| C28 | C27 | H27A | H27B | 119.1° | 120.1° |
| C27 | C28 | H28B | H28A | 118.1° | 120.0° |
| C23 | C29 | C30 | H29B | 120.9° | 120.0° |
| C23 | C29 | C30 | H29A | 120.9° | 120.0° |
| C23 | C29 | C30 | O31 | 69.3° | 2.4° |
| C23 | C29 | C30 | N32 | 109.7° | 177.6° |
| C29 | C23 | C22 | H22B | 48.4° | 175.3° |
| C29 | C23 | C22 | H22A | 166.9° | 64.7° |
| C29 | C23 | C24 | H24B | 66.4° | 60.0° |
| C29 | C23 | C24 | H24A | 52.3° | 60.1° |
| C29 | C23 | C28 | H28B | 66.2° | 60.0° |
| C29 | C23 | C28 | H28A | 52.6° | 59.9° |
| C23 | C29 | H29B | H29A | 117.2° | 120.1° |
| C29 | C30 | O31 | N32 | 178.9° | 180.0° |
| C29 | C30 | N32 | C33 | 178.6° | 180.0° |
| C30 | C29 | C23 | C28 | 174.9° | 58.0° |
| C30 | C29 | H29B | H29A | 117.2° | 120.0° |
| C29 | C30 | N32 | H32 | 1.4° | 0.0° |
| O31 | C30 | N32 | C33 | 0.3° | 0.0° |
| O31 | C30 | C29 | H29B | 169.8° | 117.5° |
| O31 | C30 | C29 | H29A | 51.6° | 122.5° |
| O31 | C30 | N32 | H32 | 179.7° | 179.9° |
| C30 | N32 | C33 | H32 | 180.0° | 179.9° |
| C30 | N32 | C33 | H33A | 180.0° | 180.0° |
| C30 | N32 | C33 | H33B | 60.0° | 60.0° |
| C30 | N32 | C33 | H33C | 60.0° | 60.0° |
| N32 | C30 | C29 | H29B | 11.2° | 62.4° |
| N32 | C30 | C29 | H29A | 129.4° | 57.5° |
| N32 | C33 | H33A | H33B | 120.0° | 119.9° |
| N32 | C33 | H33A | H33C | 120.0° | 120.0° |
| N32 | C33 | H33B | H33C | 120.0° | 120.0° |
| C17 | N34 | C35 | C36 | 176.2° | 180.0° |
| C17 | N34 | C36 | C37 | 108.7° | 120.0° |
| C17 | N34 | C36 | C41 | 121.0° | 119.9° |
| C17 | N34 | C36 | H36 | 6.2° | 0.1° |
| C17 | N34 | C35 | H35B | 180.0° | 90.0° |
| C17 | N34 | C35 | H35A | 60.0° | 150.0° |
| C17 | N34 | C35 | H35C | 60.0° | 30.0° |
| N34 | C17 | C16 | H16 | 1.3° | 0.1° |
| C35 | N34 | C36 | C37 | 75.2° | 60.0° |
| C35 | N34 | C36 | C41 | 55.1° | 60.1° |
| C35 | N34 | C36 | H36 | 169.9° | 179.9° |
| N34 | C35 | H35B | H35A | 120.0° | 120.0° |
| N34 | C35 | H35B | H35C | 120.0° | 120.0° |
| N34 | C35 | H35A | H35C | 120.0° | 120.0° |
| N34 | C36 | C37 | C41 | 128.6° | 120.0° |
| N34 | C36 | C37 | H36 | 115.2° | 120.0° |
| N34 | C36 | C37 | C38 | 170.9° | 178.6° |
| N34 | C36 | C41 | C40 | 171.0° | 178.6° |
| N34 | C36 | C41 | H36 | 115.1° | 120.0° |
| C36 | N34 | C35 | H35B | 3.8° | 90.0° |
| C36 | N34 | C35 | H35A | 116.1° | 30.0° |
| C36 | N34 | C35 | H35C | 123.9° | 150.0° |
| N34 | C36 | C37 | H37A | 50.6° | 61.5° |
| N34 | C36 | C37 | H37B | 68.9° | 58.7° |
| N34 | C36 | C41 | H41A | 50.7° | 61.4° |
| N34 | C36 | C41 | H41B | 68.6° | 58.6° |
| C36 | C37 | C38 | H37A | 120.3° | 119.9° |
| C36 | C37 | C38 | H37B | 120.3° | 120.0° |
| C36 | C37 | C38 | N39 | 53.5° | 54.6° |
| C37 | C36 | C41 | C40 | 42.4° | 61.4° |
| C37 | C36 | C41 | H36 | 116.2° | 120.0° |
| C36 | C37 | H37A | H37B | 119.2° | 120.1° |
| C36 | C37 | C38 | H38A | 173.6° | 174.4° |
| C36 | C37 | C38 | H38B | 66.5° | 65.2° |
| C37 | C36 | C41 | H41A | 77.9° | 58.6° |
| C37 | C36 | C41 | H41B | 162.7° | 178.7° |
| C37 | C38 | N39 | H38A | 120.0° | 119.9° |
| C37 | C38 | N39 | H38B | 120.0° | 119.8° |
| C37 | C38 | N39 | C40 | 67.5° | 53.6° |
| C37 | C38 | N39 | C42 | 102.4° | 126.4° |
| C38 | C37 | C36 | C41 | 42.2° | 61.3° |
| C38 | C37 | C36 | H36 | 73.9° | 58.7° |
| C38 | C37 | H37A | H37B | 119.2° | 120.1° |
| C37 | C38 | H38A | H38B | 119.9° | 120.3° |
| C38 | N39 | C40 | C42 | 170.8° | 180.0° |
| C38 | N39 | C40 | C41 | 67.4° | 53.6° |
| C38 | N39 | C42 | O43 | 149.6° | 3.4° |
| C38 | N39 | C42 | C44 | 24.9° | 176.5° |
| C38 | N39 | C40 | H40A | 172.6° | 173.4° |
| C38 | N39 | C40 | H40B | 52.6° | 66.3° |
| N39 | C38 | C37 | H37A | 66.7° | 65.3° |
| N39 | C38 | C37 | H37B | 173.8° | 174.6° |
| N39 | C38 | H38A | H38B | 120.0° | 120.3° |
| N39 | C40 | C41 | H40A | 120.0° | 119.8° |
| N39 | C40 | C41 | H40B | 120.0° | 120.0° |
| C40 | N39 | C42 | O43 | 19.2° | 176.6° |
| C40 | N39 | C42 | C44 | 166.3° | 3.5° |
| N39 | C40 | C41 | C36 | 53.6° | 54.7° |
| N39 | C40 | H40A | H40B | 120.0° | 120.4° |
| C40 | N39 | C38 | H38A | 172.5° | 173.4° |
| C40 | N39 | C38 | H38B | 52.5° | 66.2° |
| N39 | C40 | C41 | H41A | 66.7° | 65.3° |
| N39 | C40 | C41 | H41B | 173.9° | 174.6° |
| C41 | C40 | N39 | C42 | 103.4° | 126.4° |
| C40 | C41 | C36 | H41A | 120.3° | 120.0° |
| C40 | C41 | C36 | H41B | 120.3° | 120.0° |
| C41 | C40 | H40A | H40B | 120.1° | 120.3° |
| C40 | C41 | C36 | H36 | 73.8° | 58.6° |
| C40 | C41 | H41A | H41B | 119.1° | 120.1° |
| N39 | C42 | O43 | C44 | 174.4° | 179.9° |
| N39 | C42 | C44 | C45 | 54.7° | 139.1° |
| N39 | C42 | C44 | C49 | 126.7° | 41.0° |
| C42 | N39 | C40 | H40A | 16.6° | 6.6° |
| C42 | N39 | C40 | H40B | 136.6° | 113.7° |
| C42 | N39 | C38 | H38A | 17.6° | 6.6° |
| C42 | N39 | C38 | H38B | 137.6° | 113.8° |
| O43 | C42 | C44 | C45 | 130.7° | 40.9° |
| O43 | C42 | C44 | C49 | 47.9° | 139.1° |
| C42 | C44 | C45 | C49 | 178.6° | 179.9° |
| C42 | C44 | C45 | C46 | 178.3° | 180.0° |
| C42 | C44 | C49 | C48 | 178.4° | 179.9° |
| C42 | C44 | C45 | H45 | 1.7° | 0.1° |
| C42 | C44 | C49 | H49 | 1.6° | 0.0° |
| C44 | C45 | C46 | H45 | 180.0° | 179.9° |
| C44 | C45 | C46 | C47 | 0.1° | 0.1° |
| C45 | C44 | C49 | C48 | 0.2° | 0.0° |
| C44 | C45 | C46 | H46 | 180.0° | 180.0° |
| C45 | C44 | C49 | H49 | 179.8° | 179.9° |
| C45 | C46 | C47 | H46 | 180.0° | 179.9° |
| C45 | C46 | C47 | C48 | 0.2° | 0.0° |
| C46 | C45 | C44 | C49 | 0.2° | 0.1° |
| C45 | C46 | C47 | N52 | 178.2° | 179.7° |
| C46 | C47 | C48 | N52 | 178.5° | 179.8° |
| C46 | C47 | C48 | C49 | 0.2° | 0.0° |
| C46 | C47 | C48 | N50 | 178.4° | 180.0° |
| C46 | C47 | N52 | C51 | 178.2° | 179.9° |
| C46 | C47 | N52 | C53 | 6.7° | 0.3° |
| C47 | C46 | C45 | H45 | 180.0° | 180.0° |
| C47 | C48 | C49 | N50 | 178.3° | 179.9° |
| C47 | C48 | N50 | C51 | 0.0° | 0.0° |
| C48 | C47 | N52 | C51 | 0.1° | 0.3° |
| C48 | C47 | N52 | C53 | 175.1° | 180.0° |
| C47 | C48 | C49 | C44 | 0.0° | 0.0° |
| C48 | C47 | C46 | H46 | 179.8° | 180.0° |
| C47 | C48 | C49 | H49 | 180.0° | 180.0° |
| C49 | C48 | N50 | C51 | 178.5° | 180.0° |
| C48 | C49 | C44 | H49 | 180.0° | 179.9° |
| C49 | C48 | C47 | N52 | 178.7° | 179.8° |
| C48 | N50 | C51 | N52 | 0.0° | 0.2° |
| C48 | N50 | C51 | C59 | 178.3° | 180.0° |
| N50 | C48 | C49 | C44 | 178.3° | 180.0° |
| N50 | C48 | C47 | N52 | 0.1° | 0.2° |
| N50 | C48 | C49 | H49 | 1.7° | 0.1° |
| N50 | C51 | N52 | C59 | 178.4° | 179.7° |
| N50 | C51 | N52 | C53 | 175.1° | 179.9° |
| N50 | C51 | N52 | C47 | 0.1° | 0.4° |
| N50 | C51 | C59 | H59A | 0.0° | 90.0° |
| N50 | C51 | C59 | H59C | 120.0° | 149.9° |
| N50 | C51 | C59 | H59B | 120.0° | 30.0° |
| C51 | N52 | C53 | C47 | 174.2° | 179.6° |
| C51 | N52 | C53 | C54 | 129.0° | 64.9° |
| C51 | N52 | C53 | C58 | 53.0° | 115.3° |
| N52 | C51 | C59 | H59A | 178.1° | 89.7° |
| N52 | C51 | C59 | H59C | 58.2° | 30.3° |
| N52 | C51 | C59 | H59B | 61.8° | 150.3° |
| N52 | C53 | C54 | C58 | 178.0° | 179.8° |
| N52 | C53 | C54 | C55 | 178.0° | 180.0° |
| N52 | C53 | C58 | C57 | 178.1° | 179.7° |
| C53 | N52 | C51 | C59 | 6.5° | 0.2° |
| N52 | C53 | C54 | H54 | 2.0° | 0.0° |
| N52 | C53 | C58 | H58 | 1.9° | 0.2° |
| C53 | C54 | C55 | H54 | 180.0° | 180.0° |
| C53 | C54 | C55 | C56 | 0.1° | 0.0° |
| C54 | C53 | C58 | C57 | 0.1° | 0.5° |
| C54 | C53 | N52 | C47 | 56.8° | 115.5° |
| C53 | C54 | C55 | H55 | 180.0° | 180.0° |
| C54 | C53 | C58 | H58 | 179.9° | 180.0° |
| C54 | C55 | C56 | H55 | 180.0° | 179.9° |
| C54 | C55 | C56 | C57 | 0.1° | 0.0° |
| C55 | C54 | C53 | C58 | 0.0° | 0.2° |
| C54 | C55 | C56 | H56 | 179.9° | 180.0° |
| C55 | C56 | C57 | H56 | 180.0° | 180.0° |
| C55 | C56 | C57 | C58 | 0.0° | 0.3° |
| C56 | C55 | C54 | H54 | 180.0° | 179.9° |
| C55 | C56 | C57 | H57 | 180.0° | 179.9° |
| C56 | C57 | C58 | H57 | 180.0° | 179.7° |
| C56 | C57 | C58 | C53 | 0.1° | 0.6° |
| C57 | C56 | C55 | H55 | 179.9° | 179.9° |
| C56 | C57 | C58 | H58 | 179.9° | 180.0° |
| C57 | C58 | C53 | H58 | 180.0° | 179.5° |
| C58 | C57 | C56 | H56 | 180.0° | 179.7° |
| C59 | C51 | N52 | C47 | 178.3° | 179.9° |
| C51 | C59 | H59A | H59C | 120.0° | 120.1° |
| C51 | C59 | H59A | H59B | 120.0° | 119.9° |
| C51 | C59 | H59C | H59B | 120.0° | 120.0° |
| C13 | C8 | C9 | H9 | 179.7° | 179.7° |
| C8 | C13 | C12 | H12 | 179.9° | 179.7° |
| N20 | C15 | C16 | H16 | 180.0° | 179.7° |
| C28 | C23 | C22 | H22B | 72.3° | 55.3° |
| C28 | C23 | C22 | H22A | 46.3° | 175.3° |
| C28 | C23 | C24 | H24B | 173.1° | 180.0° |
| C28 | C23 | C24 | H24A | 68.2° | 60.0° |
| C23 | C28 | C27 | H27A | 64.7° | 60.0° |
| C23 | C28 | C27 | H27B | 175.9° | 180.0° |
| C23 | C28 | H28B | H28A | 118.2° | 120.0° |
| C28 | C23 | C29 | H29B | 64.2° | 177.9° |
| C28 | C23 | C29 | H29A | 54.0° | 62.0° |
| C36 | C41 | C40 | H40A | 173.6° | 174.4° |
| C36 | C41 | C40 | H40B | 66.4° | 65.3° |
| C41 | C36 | C37 | H37A | 78.0° | 58.5° |
| C41 | C36 | C37 | H37B | 162.5° | 178.7° |
| C36 | C41 | H41A | H41B | 119.0° | 120.1° |
| C49 | C44 | C45 | H45 | 179.8° | 180.0° |
| C47 | N52 | C53 | C58 | 121.2° | 64.3° |
| N52 | C47 | C46 | H46 | 1.8° | 0.4° |
| C58 | C53 | C54 | H54 | 180.0° | 179.8° |
| C53 | C58 | C57 | H57 | 180.0° | 179.7° |
| H40A | C40 | C41 | H41A | 53.3° | 54.5° |
| H40A | C40 | C41 | H41B | 66.1° | 65.6° |
| H40B | C40 | C41 | H41A | 173.4° | 174.7° |
| H40B | C40 | C41 | H41B | 53.9° | 54.6° |
| H36 | C36 | C37 | H37A | 165.8° | 178.6° |
| H36 | C36 | C37 | H37B | 46.3° | 61.3° |
| H36 | C36 | C41 | H41A | 165.9° | 178.6° |
| H36 | C36 | C41 | H41B | 46.5° | 61.3° |
| H35B | C35 | H35A | H35C | 120.0° | 120.0° |
| H33A | C33 | H33B | H33C | 120.0° | 120.1° |
| H33A | C33 | N32 | H32 | 0.0° | 0.1° |
| H33B | C33 | N32 | H32 | 120.0° | 120.1° |
| H33C | C33 | N32 | H32 | 119.9° | 119.9° |
| H37A | C37 | C38 | H38A | 53.3° | 54.5° |
| H37A | C37 | C38 | H38B | 173.2° | 174.9° |
| H37B | C37 | C38 | H38A | 66.2° | 65.6° |
| H37B | C37 | C38 | H38B | 53.7° | 54.8° |
| H4B | C4 | C5 | H5B | 59.4° | 180.0° |
| H4B | C4 | C5 | H5C | 179.4° | 60.0° |
| H4B | C4 | C5 | H5A | 60.6° | 60.0° |
| H4A | C4 | C5 | H5B | 59.4° | 60.0° |
| H4A | C4 | C5 | H5C | 60.6° | 180.0° |
| H4A | C4 | C5 | H5A | 179.4° | 59.9° |
| H26B | C26 | C25 | H25B | 55.0° | 60.0° |
| H26B | C26 | C25 | H25A | 64.5° | 60.0° |
| H26B | C26 | C27 | H27A | 55.3° | 59.9° |
| H26B | C26 | C27 | H27B | 64.1° | 60.0° |
| H26A | C26 | C25 | H25B | 174.5° | 60.0° |
| H26A | C26 | C25 | H25A | 55.1° | 179.9° |
| H26A | C26 | C27 | H27A | 174.8° | 180.0° |
| H26A | C26 | C27 | H27B | 55.4° | 60.1° |
| H1A | C1 | H1C | H1B | 120.0° | 120.0° |
| H1A | C1 | C2 | H2B | 59.7° | 180.0° |
| H1A | C1 | C2 | H2A | 59.7° | 59.9° |
| H1C | C1 | C2 | H2B | 60.3° | 60.0° |
| H1C | C1 | C2 | H2A | 179.7° | 179.9° |
| H1B | C1 | C2 | H2B | 179.7° | 60.0° |
| H1B | C1 | C2 | H2A | 60.3° | 60.0° |
| H5B | C5 | H5C | H5A | 120.0° | 120.0° |
| H11 | C11 | C12 | H12 | 0.5° | 0.1° |
| H21 | N21 | C22 | H22B | 121.0° | 114.9° |
| H21 | N21 | C22 | H22A | 120.4° | 125.0° |
| H24B | C24 | C25 | H25B | 55.6° | 60.0° |
| H24B | C24 | C25 | H25A | 63.8° | 60.0° |
| H24A | C24 | C25 | H25B | 174.3° | 60.0° |
| H24A | C24 | C25 | H25A | 54.9° | 179.9° |
| H27A | C27 | C28 | H28B | 55.9° | 180.0° |
| H27A | C27 | C28 | H28A | 174.7° | 60.0° |
| H27B | C27 | C28 | H28B | 63.5° | 60.0° |
| H27B | C27 | C28 | H28A | 55.3° | 60.0° |
| H45 | C45 | C46 | H46 | 0.0° | 0.1° |
| H54 | C54 | C55 | H55 | 0.0° | 0.0° |
| H55 | C55 | C56 | H56 | 0.1° | 0.0° |
| H56 | C56 | C57 | H57 | 0.0° | 0.0° |
| H57 | C57 | C58 | H58 | 0.1° | 0.2° |
| H59A | C59 | H59C | H59B | 120.0° | 120.0° |
