A1IL5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C15 | C16 | sing | 1.51Å | 1.50Å | |
| C16 | C17 | doub | 1.33Å | 1.32Å | |
| C17 | C18 | sing | 1.47Å | 1.48Å | |
| C18 | O19 | doub | 1.22Å | 1.23Å | |
| C18 | N20 | sing | 1.35Å | 1.34Å | |
| N20 | C21 | sing | 1.47Å | 1.44Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C25 | C26 | sing | 1.51Å | 1.53Å | |
| C26 | O27 | doub | 1.21Å | 1.20Å | |
| C26 | O28 | sing | 1.34Å | 1.34Å | |
| O28 | C29 | sing | 1.45Å | 1.47Å | |
| C29 | C30 | sing | 1.53Å | 1.51Å | |
| C29 | C31 | sing | 1.53Å | 1.52Å | |
| C31 | C32 | sing | 1.51Å | 1.52Å | |
| C32 | O33 | doub | 1.21Å | 1.23Å | |
| C32 | N34 | sing | 1.35Å | 1.34Å | |
| N34 | C35 | sing | 1.47Å | 1.45Å | |
| C35 | C36 | sing | 1.53Å | 1.53Å | |
| C36 | C37 | sing | 1.52Å | 1.53Å | |
| C37 | C38 | sing | 1.52Å | 1.52Å | |
| C38 | C39 | sing | 1.53Å | 1.51Å | |
| C39 | N40 | sing | 1.47Å | 1.46Å | |
| N40 | C41 | sing | 1.33Å | 1.37Å | |
| C41 | O42 | doub | 1.21Å | 1.22Å | |
| N40 | O43 | sing | 1.42Å | 1.40Å | |
| C25 | N44 | sing | 1.47Å | 1.45Å | |
| N44 | C45 | sing | 1.35Å | 1.34Å | |
| C45 | O46 | doub | 1.21Å | 1.23Å | |
| C45 | C47 | sing | 1.51Å | 1.52Å | |
| C47 | C48 | sing | 1.55Å | 1.54Å | |
| C48 | O49 | sing | 1.44Å | 1.45Å | |
| O49 | C50 | sing | 1.35Å | 1.36Å | |
| C50 | N51 | doub | 1.30Å | 1.26Å | |
| C50 | C52 | sing | 1.48Å | 1.46Å | |
| C52 | C53 | doub | 1.39Å | 1.39Å | Aromatic |
| C53 | C54 | sing | 1.38Å | 1.38Å | Aromatic |
| C54 | C55 | doub | 1.38Å | 1.38Å | Aromatic |
| C55 | C56 | sing | 1.38Å | 1.38Å | Aromatic |
| C56 | C57 | doub | 1.39Å | 1.39Å | Aromatic |
| C57 | O58 | sing | 1.36Å | 1.36Å | |
| N20 | O59 | sing | 1.42Å | 1.40Å | |
| C41 | C35 | sing | 1.51Å | 1.53Å | |
| N51 | C47 | sing | 1.48Å | 1.47Å | |
| C57 | C52 | sing | 1.40Å | 1.41Å | Aromatic |
| C4 | H4B | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C5 | H5B | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C6 | H6B | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C7 | H7B | sing | 1.09Å | 1.10Å | |
| C8 | H8B | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C10 | H10B | sing | 1.09Å | 1.10Å | |
| C13 | H13B | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C15 | H15B | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C21 | H21B | sing | 1.09Å | 1.10Å | |
| C22 | H22B | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C24 | H24B | 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 | |
| C11 | H11B | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C12 | H12B | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C14 | H14B | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C2 | H2B | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C23 | H23B | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C3 | H3B | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C30 | H30B | sing | 1.09Å | 1.10Å | |
| C30 | H30C | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| C31 | H31B | sing | 1.09Å | 1.10Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C36 | H36A | sing | 1.09Å | 1.10Å | |
| C36 | H36B | sing | 1.09Å | 1.10Å | |
| C37 | H37B | sing | 1.09Å | 1.10Å | |
| C37 | H37A | sing | 1.09Å | 1.10Å | |
| C38 | H38A | sing | 1.09Å | 1.10Å | |
| C38 | H38B | sing | 1.09Å | 1.10Å | |
| C39 | H39A | sing | 1.09Å | 1.10Å | |
| C39 | H39B | sing | 1.09Å | 1.10Å | |
| C47 | H47 | sing | 1.09Å | 1.10Å | |
| C48 | H48A | sing | 1.09Å | 1.10Å | |
| C48 | H48B | sing | 1.09Å | 1.10Å | |
| C53 | H53 | 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 | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C9 | H9B | sing | 1.09Å | 1.10Å | |
| N34 | H34 | sing | 0.97Å | 1.00Å | |
| N44 | H44 | sing | 0.97Å | 1.00Å | |
| O43 | H43 | sing | 0.97Å | 0.95Å | |
| O58 | H58 | sing | 0.97Å | 0.95Å | |
| O59 | H59 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 113.0° | 109.5° |
| C2 | C1 | H1A | 109.5° | 109.5° |
| C2 | C1 | H1C | 109.4° | 109.5° |
| C2 | C1 | H1B | 109.5° | 109.4° |
| C1 | C2 | H2B | 108.6° | 109.5° |
| C1 | C2 | H2A | 108.6° | 109.4° |
| C2 | C3 | C4 | 114.0° | 109.5° |
| C3 | C2 | H2B | 108.6° | 109.5° |
| C3 | C2 | H2A | 108.5° | 109.4° |
| C2 | C3 | H3B | 108.3° | 109.4° |
| C2 | C3 | H3A | 108.3° | 109.5° |
| C3 | C4 | C5 | 114.3° | 109.5° |
| C3 | C4 | H4B | 108.2° | 109.5° |
| C3 | C4 | H4A | 108.2° | 109.5° |
| C4 | C3 | H3B | 108.3° | 109.5° |
| C4 | C3 | H3A | 108.3° | 109.5° |
| C4 | C5 | C6 | 114.0° | 109.5° |
| C5 | C4 | H4B | 108.2° | 109.5° |
| C5 | C4 | H4A | 108.3° | 109.4° |
| C4 | C5 | H5A | 108.3° | 109.4° |
| C4 | C5 | H5B | 108.4° | 109.5° |
| C5 | C6 | C7 | 114.3° | 109.4° |
| C6 | C5 | H5A | 108.3° | 109.5° |
| C6 | C5 | H5B | 108.3° | 109.5° |
| C5 | C6 | H6A | 108.2° | 109.4° |
| C5 | C6 | H6B | 108.3° | 109.5° |
| C6 | C7 | C8 | 113.8° | 109.4° |
| C7 | C6 | H6A | 108.3° | 109.5° |
| C7 | C6 | H6B | 108.3° | 109.5° |
| C6 | C7 | H7A | 108.4° | 109.5° |
| C6 | C7 | H7B | 108.4° | 109.5° |
| C7 | C8 | C9 | 113.4° | 109.5° |
| C8 | C7 | H7A | 108.4° | 109.5° |
| C8 | C7 | H7B | 108.4° | 109.5° |
| C7 | C8 | H8B | 108.5° | 109.5° |
| C7 | C8 | H8A | 108.5° | 109.5° |
| C8 | C9 | C10 | 114.0° | 109.5° |
| C9 | C8 | H8B | 108.5° | 109.4° |
| C9 | C8 | H8A | 108.5° | 109.5° |
| C8 | C9 | H9A | 108.3° | 109.4° |
| C8 | C9 | H9B | 108.3° | 109.5° |
| C9 | C10 | C11 | 114.3° | 109.5° |
| C9 | C10 | H10A | 108.3° | 109.5° |
| C9 | C10 | H10B | 108.2° | 109.5° |
| C10 | C9 | H9A | 108.3° | 109.5° |
| C10 | C9 | H9B | 108.3° | 109.5° |
| C10 | C11 | C12 | 114.3° | 109.5° |
| C11 | C10 | H10A | 108.3° | 109.5° |
| C11 | C10 | H10B | 108.3° | 109.4° |
| C10 | C11 | H11B | 108.3° | 109.4° |
| C10 | C11 | H11A | 108.3° | 109.5° |
| C11 | C12 | C13 | 113.7° | 109.5° |
| C12 | C11 | H11B | 108.2° | 109.5° |
| C12 | C11 | H11A | 108.2° | 109.5° |
| C11 | C12 | H12B | 108.4° | 109.5° |
| C11 | C12 | H12A | 108.4° | 109.5° |
| C12 | C13 | C14 | 114.4° | 109.5° |
| C12 | C13 | H13B | 108.3° | 109.5° |
| C12 | C13 | H13A | 108.2° | 109.4° |
| C13 | C12 | H12B | 108.4° | 109.4° |
| C13 | C12 | H12A | 108.4° | 109.5° |
| C13 | C14 | C15 | 114.4° | 109.4° |
| C14 | C13 | H13B | 108.2° | 109.5° |
| C14 | C13 | H13A | 108.2° | 109.5° |
| C13 | C14 | H14A | 108.2° | 109.5° |
| C13 | C14 | H14B | 108.2° | 109.5° |
| C14 | C15 | C16 | 112.6° | 109.4° |
| C14 | C15 | H15B | 108.7° | 109.5° |
| C14 | C15 | H15A | 108.7° | 109.5° |
| C15 | C14 | H14A | 108.2° | 109.4° |
| C15 | C14 | H14B | 108.2° | 109.5° |
| C15 | C16 | C17 | 126.5° | 120.0° |
| C16 | C15 | H15B | 108.7° | 109.4° |
| C16 | C15 | H15A | 108.7° | 109.5° |
| C15 | C16 | H16 | 116.7° | 120.0° |
| C16 | C17 | C18 | 122.8° | 120.0° |
| C16 | C17 | H17 | 118.6° | 120.0° |
| C17 | C16 | H16 | 116.8° | 120.0° |
| C17 | C18 | O19 | 122.1° | 120.0° |
| C17 | C18 | N20 | 117.7° | 120.0° |
| C18 | C17 | H17 | 118.6° | 120.0° |
| O19 | C18 | N20 | 120.1° | 120.0° |
| C18 | N20 | C21 | 124.4° | 120.0° |
| C18 | N20 | O59 | 119.1° | 120.0° |
| N20 | C21 | C22 | 112.2° | 109.5° |
| C21 | N20 | O59 | 116.6° | 120.0° |
| N20 | C21 | H21A | 108.8° | 109.4° |
| N20 | C21 | H21B | 108.8° | 109.5° |
| C21 | C22 | C23 | 113.6° | 109.5° |
| C22 | C21 | H21A | 108.8° | 109.4° |
| C22 | C21 | H21B | 108.8° | 109.5° |
| C21 | C22 | H22B | 108.4° | 109.5° |
| C21 | C22 | H22A | 108.4° | 109.4° |
| C22 | C23 | C24 | 113.5° | 109.4° |
| C23 | C22 | H22B | 108.4° | 109.5° |
| C23 | C22 | H22A | 108.4° | 109.5° |
| C22 | C23 | H23A | 108.4° | 109.5° |
| C22 | C23 | H23B | 108.5° | 109.5° |
| C23 | C24 | C25 | 113.5° | 109.4° |
| C23 | C24 | H24A | 108.5° | 109.4° |
| C23 | C24 | H24B | 108.4° | 109.5° |
| C24 | C23 | H23A | 108.5° | 109.4° |
| C24 | C23 | H23B | 108.4° | 109.4° |
| C24 | C25 | C26 | 114.9° | 109.4° |
| C24 | C25 | N44 | 111.1° | 109.5° |
| C25 | C24 | H24A | 108.5° | 109.5° |
| C25 | C24 | H24B | 108.5° | 109.5° |
| C24 | C25 | H25 | 106.2° | 109.5° |
| C25 | C26 | O27 | 122.7° | 120.0° |
| C25 | C26 | O28 | 114.2° | 120.0° |
| C26 | C25 | N44 | 110.7° | 109.5° |
| C26 | C25 | H25 | 106.3° | 109.4° |
| O27 | C26 | O28 | 123.1° | 120.0° |
| C26 | O28 | C29 | 121.1° | 117.0° |
| O28 | C29 | C30 | 108.4° | 109.5° |
| O28 | C29 | C31 | 106.7° | 109.5° |
| O28 | C29 | H29 | 110.4° | 109.4° |
| C30 | C29 | C31 | 111.8° | 109.5° |
| C30 | C29 | H29 | 109.8° | 109.5° |
| C29 | C30 | H30B | 109.5° | 109.5° |
| C29 | C30 | H30C | 109.5° | 109.5° |
| C29 | C30 | H30A | 109.5° | 109.5° |
| C29 | C31 | C32 | 115.3° | 109.4° |
| C31 | C29 | H29 | 109.7° | 109.5° |
| C29 | C31 | H31A | 108.0° | 109.5° |
| C29 | C31 | H31B | 108.0° | 109.4° |
| C31 | C32 | O33 | 120.6° | 120.0° |
| C31 | C32 | N34 | 117.7° | 120.0° |
| C32 | C31 | H31A | 108.0° | 109.5° |
| C32 | C31 | H31B | 108.0° | 109.5° |
| O33 | C32 | N34 | 121.7° | 120.0° |
| C32 | N34 | C35 | 127.4° | 120.0° |
| C32 | N34 | H34 | 116.3° | 120.0° |
| N34 | C35 | C36 | 112.5° | 109.6° |
| N34 | C35 | C41 | 101.0° | 109.8° |
| N34 | C35 | H35 | 111.2° | 109.6° |
| C35 | N34 | H34 | 116.3° | 120.0° |
| C35 | C36 | C37 | 114.2° | 110.7° |
| C36 | C35 | C41 | 111.7° | 108.5° |
| C36 | C35 | H35 | 110.0° | 109.7° |
| C35 | C36 | H36A | 108.3° | 109.2° |
| C35 | C36 | H36B | 108.3° | 109.2° |
| C36 | C37 | C38 | 116.8° | 113.8° |
| C37 | C36 | H36A | 108.3° | 109.2° |
| C37 | C36 | H36B | 108.3° | 109.2° |
| C36 | C37 | H37B | 107.6° | 108.6° |
| C36 | C37 | H37A | 107.6° | 108.6° |
| C37 | C38 | C39 | 113.8° | 110.9° |
| C38 | C37 | H37B | 107.6° | 108.6° |
| C38 | C37 | H37A | 107.6° | 108.6° |
| C37 | C38 | H38A | 108.4° | 109.2° |
| C37 | C38 | H38B | 108.4° | 109.2° |
| C38 | C39 | N40 | 112.4° | 108.7° |
| C39 | C38 | H38A | 108.4° | 109.2° |
| C39 | C38 | H38B | 108.4° | 109.2° |
| C38 | C39 | H39A | 108.7° | 109.6° |
| C38 | C39 | H39B | 108.7° | 109.6° |
| C39 | N40 | C41 | 125.5° | 120.4° |
| C39 | N40 | O43 | 115.7° | 119.8° |
| N40 | C39 | H39A | 108.8° | 109.6° |
| N40 | C39 | H39B | 108.8° | 109.6° |
| N40 | C41 | O42 | 122.4° | 119.9° |
| C41 | N40 | O43 | 118.8° | 119.8° |
| N40 | C41 | C35 | 116.5° | 120.2° |
| O42 | C41 | C35 | 121.1° | 119.9° |
| N40 | O43 | H43 | 109.5° | 114.0° |
| C25 | N44 | C45 | 121.6° | 120.0° |
| N44 | C25 | H25 | 107.1° | 109.5° |
| C25 | N44 | H44 | 119.2° | 120.0° |
| N44 | C45 | O46 | 123.5° | 120.0° |
| N44 | C45 | C47 | 116.3° | 120.0° |
| C45 | N44 | H44 | 119.2° | 120.0° |
| O46 | C45 | C47 | 120.2° | 120.0° |
| C45 | C47 | C48 | 111.7° | 110.9° |
| C45 | C47 | N51 | 108.6° | 110.9° |
| C45 | C47 | H47 | 110.8° | 110.8° |
| C47 | C48 | O49 | 104.1° | 101.4° |
| C48 | C47 | N51 | 103.4° | 102.0° |
| C48 | C47 | H47 | 110.6° | 110.9° |
| C47 | C48 | H48A | 110.8° | 111.1° |
| C47 | C48 | H48B | 110.8° | 111.0° |
| C48 | O49 | C50 | 105.1° | 107.7° |
| O49 | C48 | H48A | 110.8° | 111.0° |
| O49 | C48 | H48B | 110.8° | 111.0° |
| O49 | C50 | N51 | 117.7° | 113.8° |
| O49 | C50 | C52 | 116.1° | 123.1° |
| N51 | C50 | C52 | 126.1° | 123.1° |
| C50 | N51 | C47 | 106.3° | 108.4° |
| C50 | C52 | C53 | 121.1° | 120.2° |
| C50 | C52 | C57 | 119.9° | 120.1° |
| C52 | C53 | C54 | 120.5° | 119.9° |
| C53 | C52 | C57 | 118.9° | 119.7° |
| C52 | C53 | H53 | 119.7° | 120.1° |
| C53 | C54 | C55 | 120.3° | 120.3° |
| C54 | C53 | H53 | 119.8° | 120.0° |
| C53 | C54 | H54 | 119.8° | 119.9° |
| C54 | C55 | C56 | 120.2° | 120.4° |
| C55 | C54 | H54 | 119.9° | 119.8° |
| C54 | C55 | H55 | 119.9° | 119.9° |
| C55 | C56 | C57 | 120.2° | 120.1° |
| C56 | C55 | H55 | 119.9° | 119.8° |
| C55 | C56 | H56 | 119.9° | 119.9° |
| C56 | C57 | O58 | 117.8° | 120.2° |
| C56 | C57 | C52 | 119.8° | 119.7° |
| C57 | C56 | H56 | 119.9° | 120.0° |
| O58 | C57 | C52 | 122.4° | 120.2° |
| C57 | O58 | H58 | 109.5° | 114.0° |
| N20 | O59 | H59 | 109.5° | 114.0° |
| C41 | C35 | H35 | 110.1° | 109.6° |
| N51 | C47 | H47 | 111.5° | 111.0° |
| H4B | C4 | H4A | 109.5° | 109.5° |
| H5A | C5 | H5B | 109.5° | 109.4° |
| H6A | C6 | H6B | 109.5° | 109.5° |
| H7A | C7 | H7B | 109.5° | 109.5° |
| H8B | C8 | H8A | 109.4° | 109.5° |
| H10A | C10 | H10B | 109.5° | 109.5° |
| H13B | C13 | H13A | 109.5° | 109.4° |
| H15B | C15 | H15A | 109.4° | 109.5° |
| H21A | C21 | H21B | 109.5° | 109.5° |
| H22B | C22 | H22A | 109.5° | 109.5° |
| H24A | C24 | H24B | 109.4° | 109.5° |
| H1A | C1 | H1C | 109.5° | 109.5° |
| H1A | C1 | H1B | 109.5° | 109.5° |
| H1C | C1 | H1B | 109.5° | 109.4° |
| H11B | C11 | H11A | 109.5° | 109.5° |
| H12B | C12 | H12A | 109.5° | 109.5° |
| H14A | C14 | H14B | 109.5° | 109.5° |
| H2B | C2 | H2A | 109.5° | 109.5° |
| H23A | C23 | H23B | 109.5° | 109.5° |
| H3B | C3 | H3A | 109.5° | 109.4° |
| H30B | C30 | H30C | 109.5° | 109.4° |
| H30B | C30 | H30A | 109.5° | 109.4° |
| H30C | C30 | H30A | 109.5° | 109.5° |
| H31A | C31 | H31B | 109.4° | 109.5° |
| H36A | C36 | H36B | 109.4° | 109.2° |
| H37B | C37 | H37A | 109.5° | 108.5° |
| H38A | C38 | H38B | 109.4° | 109.1° |
| H39A | C39 | H39B | 109.4° | 109.7° |
| H48A | C48 | H48B | 109.5° | 111.0° |
| H9A | C9 | H9B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | H2B | 120.5° | 120.1° |
| C1 | C2 | C3 | H2A | 120.5° | 119.9° |
| C1 | C2 | C3 | C4 | 172.2° | 180.0° |
| C2 | C1 | H1A | H1C | 120.0° | 120.0° |
| C2 | C1 | H1A | H1B | 120.0° | 120.0° |
| C2 | C1 | H1C | H1B | 120.0° | 119.9° |
| C1 | C2 | H2B | H2A | 118.4° | 120.0° |
| C1 | C2 | C3 | H3B | 51.5° | 60.0° |
| C1 | C2 | C3 | H3A | 67.1° | 59.9° |
| C2 | C3 | C4 | H3B | 120.7° | 120.0° |
| C2 | C3 | C4 | H3A | 120.7° | 120.0° |
| C2 | C3 | C4 | C5 | 61.9° | 180.0° |
| C2 | C3 | C4 | H4B | 58.8° | 60.0° |
| C2 | C3 | C4 | H4A | 177.4° | 60.0° |
| C3 | C2 | C1 | H1A | 180.0° | 60.0° |
| C3 | C2 | C1 | H1C | 60.0° | 180.0° |
| C3 | C2 | C1 | H1B | 60.0° | 60.1° |
| C3 | C2 | H2B | H2A | 118.4° | 120.0° |
| C2 | C3 | H3B | H3A | 117.9° | 120.0° |
| C3 | C4 | C5 | H4B | 120.7° | 120.0° |
| C3 | C4 | C5 | H4A | 120.7° | 120.0° |
| C3 | C4 | C5 | C6 | 173.2° | 180.0° |
| C3 | C4 | H4B | H4A | 117.8° | 120.0° |
| C3 | C4 | C5 | H5A | 66.2° | 60.0° |
| C3 | C4 | C5 | H5B | 52.5° | 59.9° |
| C4 | C3 | C2 | H2B | 67.3° | 60.0° |
| C4 | C3 | C2 | H2A | 51.7° | 60.0° |
| C4 | C3 | H3B | H3A | 117.9° | 120.0° |
| C4 | C5 | C6 | H5A | 120.7° | 120.0° |
| C4 | C5 | C6 | H5B | 120.7° | 120.0° |
| C4 | C5 | C6 | C7 | 152.9° | 180.0° |
| C5 | C4 | H4B | H4A | 117.8° | 120.0° |
| C4 | C5 | H5A | H5B | 118.0° | 119.9° |
| C4 | C5 | C6 | H6A | 32.1° | 60.1° |
| C4 | C5 | C6 | H6B | 86.4° | 60.0° |
| C5 | C4 | C3 | H3B | 177.5° | 60.0° |
| C5 | C4 | C3 | H3A | 58.8° | 60.0° |
| C5 | C6 | C7 | H6A | 120.7° | 120.0° |
| C5 | C6 | C7 | H6B | 120.7° | 120.0° |
| C5 | C6 | C7 | C8 | 162.6° | 180.0° |
| C6 | C5 | C4 | H4B | 52.5° | 60.0° |
| C6 | C5 | C4 | H4A | 66.1° | 60.0° |
| C6 | C5 | H5A | H5B | 117.9° | 120.0° |
| C5 | C6 | H6A | H6B | 117.8° | 120.0° |
| C5 | C6 | C7 | H7A | 42.0° | 60.0° |
| C5 | C6 | C7 | H7B | 76.8° | 60.0° |
| C6 | C7 | C8 | H7A | 120.6° | 120.0° |
| C6 | C7 | C8 | H7B | 120.7° | 120.0° |
| C6 | C7 | C8 | C9 | 80.6° | 180.0° |
| C7 | C6 | C5 | H5A | 86.5° | 60.0° |
| C7 | C6 | C5 | H5B | 32.2° | 60.0° |
| C7 | C6 | H6A | H6B | 117.8° | 120.0° |
| C6 | C7 | H7A | H7B | 118.1° | 120.0° |
| C6 | C7 | C8 | H8B | 158.8° | 60.0° |
| C6 | C7 | C8 | H8A | 40.0° | 60.0° |
| C7 | C8 | C9 | H8B | 120.6° | 120.0° |
| C7 | C8 | C9 | H8A | 120.6° | 120.1° |
| C7 | C8 | C9 | C10 | 160.6° | 180.0° |
| C8 | C7 | C6 | H6A | 76.7° | 60.0° |
| C8 | C7 | C6 | H6B | 41.9° | 60.0° |
| C8 | C7 | H7A | H7B | 118.0° | 120.0° |
| C7 | C8 | H8B | H8A | 118.2° | 120.1° |
| C7 | C8 | C9 | H9A | 39.9° | 60.0° |
| C7 | C8 | C9 | H9B | 78.8° | 60.0° |
| C8 | C9 | C10 | H9A | 120.7° | 120.0° |
| C8 | C9 | C10 | H9B | 120.7° | 120.0° |
| C8 | C9 | C10 | C11 | 167.1° | 180.0° |
| C9 | C8 | C7 | H7A | 40.0° | 60.0° |
| C9 | C8 | C7 | H7B | 158.7° | 60.0° |
| C9 | C8 | H8B | H8A | 118.2° | 120.0° |
| C8 | C9 | C10 | H10A | 46.3° | 60.0° |
| C8 | C9 | C10 | H10B | 72.2° | 60.0° |
| C8 | C9 | H9A | H9B | 118.0° | 120.0° |
| C9 | C10 | C11 | H10A | 120.7° | 120.0° |
| C9 | C10 | C11 | H10B | 120.7° | 120.0° |
| C9 | C10 | C11 | C12 | 47.6° | 180.0° |
| C10 | C9 | C8 | H8B | 78.8° | 60.0° |
| C10 | C9 | C8 | H8A | 40.0° | 59.9° |
| C9 | C10 | H10A | H10B | 117.8° | 120.0° |
| C9 | C10 | C11 | H11B | 73.1° | 60.0° |
| C9 | C10 | C11 | H11A | 168.3° | 60.0° |
| C10 | C9 | H9A | H9B | 117.9° | 120.0° |
| C10 | C11 | C12 | H11B | 120.7° | 119.9° |
| C10 | C11 | C12 | H11A | 120.7° | 120.0° |
| C10 | C11 | C12 | C13 | 98.6° | 180.0° |
| C11 | C10 | H10A | H10B | 117.8° | 120.0° |
| C10 | C11 | H11B | H11A | 117.8° | 120.0° |
| C10 | C11 | C12 | H12B | 140.7° | 60.0° |
| C10 | C11 | C12 | H12A | 22.0° | 60.0° |
| C11 | C10 | C9 | H9A | 72.3° | 60.0° |
| C11 | C10 | C9 | H9B | 46.4° | 60.0° |
| C11 | C12 | C13 | H12B | 120.6° | 120.0° |
| C11 | C12 | C13 | H12A | 120.6° | 120.0° |
| C11 | C12 | C13 | C14 | 176.8° | 180.0° |
| C12 | C11 | C10 | H10A | 168.3° | 60.0° |
| C12 | C11 | C10 | H10B | 73.1° | 60.0° |
| C11 | C12 | C13 | H13B | 56.0° | 60.0° |
| C11 | C12 | C13 | H13A | 62.6° | 60.0° |
| C12 | C11 | H11B | H11A | 117.8° | 120.0° |
| C11 | C12 | H12B | H12A | 118.0° | 120.0° |
| C12 | C13 | C14 | H13B | 120.8° | 120.0° |
| C12 | C13 | C14 | H13A | 120.7° | 120.0° |
| C12 | C13 | C14 | C15 | 71.1° | 180.0° |
| C12 | C13 | H13B | H13A | 117.8° | 120.0° |
| C13 | C12 | C11 | H11B | 22.0° | 60.0° |
| C13 | C12 | C11 | H11A | 140.6° | 60.0° |
| C13 | C12 | H12B | H12A | 118.1° | 120.0° |
| C12 | C13 | C14 | H14A | 168.2° | 60.0° |
| C12 | C13 | C14 | H14B | 49.6° | 60.0° |
| C13 | C14 | C15 | H14A | 120.7° | 120.0° |
| C13 | C14 | C15 | H14B | 120.7° | 120.0° |
| C13 | C14 | C15 | C16 | 169.4° | 180.0° |
| C14 | C13 | H13B | H13A | 117.7° | 120.0° |
| C13 | C14 | C15 | H15B | 70.1° | 60.1° |
| C13 | C14 | C15 | H15A | 48.9° | 60.0° |
| C14 | C13 | C12 | H12B | 62.6° | 60.0° |
| C14 | C13 | C12 | H12A | 56.1° | 60.0° |
| C13 | C14 | H14A | H14B | 117.7° | 120.0° |
| C14 | C15 | C16 | H15B | 120.5° | 119.9° |
| C14 | C15 | C16 | H15A | 120.5° | 120.0° |
| C14 | C15 | C16 | C17 | 103.2° | 129.2° |
| C15 | C14 | C13 | H13B | 49.6° | 60.0° |
| C15 | C14 | C13 | H13A | 168.2° | 60.0° |
| C14 | C15 | H15B | H15A | 118.6° | 120.0° |
| C15 | C14 | H14A | H14B | 117.8° | 120.0° |
| C14 | C15 | C16 | H16 | 76.8° | 50.9° |
| C15 | C16 | C17 | H16 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 76.7° | 15.9° |
| C16 | C15 | H15B | H15A | 118.6° | 120.0° |
| C15 | C16 | C17 | H17 | 103.3° | 164.0° |
| C16 | C15 | C14 | H14A | 48.7° | 60.1° |
| C16 | C15 | C14 | H14B | 69.9° | 60.0° |
| C16 | C17 | C18 | H17 | 180.0° | 179.9° |
| C16 | C17 | C18 | O19 | 7.1° | 7.4° |
| C16 | C17 | C18 | N20 | 173.0° | 172.6° |
| C17 | C16 | C15 | H15B | 17.3° | 9.3° |
| C17 | C16 | C15 | H15A | 136.3° | 110.8° |
| C17 | C18 | O19 | N20 | 179.9° | 180.0° |
| C17 | C18 | N20 | C21 | 141.5° | 180.0° |
| C17 | C18 | N20 | O59 | 39.0° | 0.0° |
| C18 | C17 | C16 | H16 | 103.3° | 164.0° |
| O19 | C18 | N20 | C21 | 38.6° | 0.0° |
| O19 | C18 | N20 | O59 | 140.9° | 180.0° |
| O19 | C18 | C17 | H17 | 172.9° | 172.6° |
| C18 | N20 | C21 | O59 | 179.5° | 180.0° |
| C18 | N20 | C21 | C22 | 141.3° | 75.0° |
| N20 | C18 | C17 | H17 | 7.0° | 7.4° |
| C18 | N20 | C21 | H21A | 98.3° | 45.0° |
| C18 | N20 | C21 | H21B | 20.9° | 165.0° |
| C18 | N20 | O59 | H59 | 180.0° | 180.0° |
| N20 | C21 | C22 | H21A | 120.4° | 119.9° |
| N20 | C21 | C22 | H21B | 120.4° | 120.1° |
| N20 | C21 | C22 | C23 | 133.3° | 180.0° |
| N20 | C21 | H21A | H21B | 118.8° | 120.0° |
| N20 | C21 | C22 | H22B | 12.7° | 59.9° |
| N20 | C21 | C22 | H22A | 106.1° | 60.1° |
| C21 | N20 | O59 | H59 | 0.4° | 0.0° |
| C21 | C22 | C23 | H22B | 120.6° | 120.1° |
| C21 | C22 | C23 | H22A | 120.6° | 119.9° |
| C21 | C22 | C23 | C24 | 65.1° | 179.9° |
| C22 | C21 | N20 | O59 | 39.2° | 105.1° |
| C22 | C21 | H21A | H21B | 118.8° | 120.0° |
| C21 | C22 | H22B | H22A | 118.1° | 119.9° |
| C21 | C22 | C23 | H23A | 174.3° | 60.0° |
| C21 | C22 | C23 | H23B | 55.4° | 60.1° |
| C22 | C23 | C24 | H23A | 120.6° | 120.0° |
| C22 | C23 | C24 | H23B | 120.6° | 120.0° |
| C22 | C23 | C24 | C25 | 169.9° | NaN° |
| C23 | C22 | C21 | H21A | 106.3° | 60.0° |
| C23 | C22 | C21 | H21B | 12.9° | 60.0° |
| C23 | C22 | H22B | H22A | 118.1° | 120.0° |
| C22 | C23 | C24 | H24A | 69.4° | 60.0° |
| C22 | C23 | C24 | H24B | 49.3° | 60.0° |
| C22 | C23 | H23A | H23B | 118.2° | 120.0° |
| C23 | C24 | C25 | H24A | 120.6° | 120.0° |
| C23 | C24 | C25 | H24B | 120.6° | 120.0° |
| C23 | C24 | C25 | C26 | 160.1° | 175.0° |
| C23 | C24 | C25 | N44 | 73.3° | 65.0° |
| C24 | C23 | C22 | H22B | 55.5° | 60.0° |
| C24 | C23 | C22 | H22A | 174.3° | 60.0° |
| C23 | C24 | H24A | H24B | 118.1° | 120.0° |
| C24 | C23 | H23A | H23B | 118.2° | 120.0° |
| C23 | C24 | C25 | H25 | 42.9° | 55.0° |
| C24 | C25 | C26 | N44 | 126.8° | 120.0° |
| C24 | C25 | C26 | H25 | 117.1° | 120.0° |
| C24 | C25 | C26 | O27 | 116.7° | 100.0° |
| C24 | C25 | C26 | O28 | 63.2° | 80.0° |
| C24 | C25 | N44 | H25 | 115.6° | 120.0° |
| C24 | C25 | N44 | C45 | 97.9° | 59.9° |
| C25 | C24 | H24A | H24B | 118.2° | 120.0° |
| C25 | C24 | C23 | H23A | 49.4° | 60.0° |
| C25 | C24 | C23 | H23B | 69.5° | 60.0° |
| C24 | C25 | N44 | H44 | 82.1° | 120.0° |
| C25 | C26 | O27 | O28 | 179.9° | 180.0° |
| C25 | C26 | O28 | C29 | 72.2° | 180.0° |
| C26 | C25 | N44 | H25 | 115.5° | 120.0° |
| C26 | C25 | N44 | C45 | 133.2° | 60.0° |
| C26 | C25 | C24 | H24A | 39.5° | 55.0° |
| C26 | C25 | C24 | H24B | 79.3° | 65.0° |
| C26 | C25 | N44 | H44 | 46.8° | 120.0° |
| O27 | C26 | O28 | C29 | 107.7° | 0.0° |
| O27 | C26 | C25 | N44 | 116.5° | 20.0° |
| O27 | C26 | C25 | H25 | 0.5° | 140.0° |
| C26 | O28 | C29 | C30 | 44.9° | 90.0° |
| C26 | O28 | C29 | C31 | 165.4° | 150.0° |
| O28 | C26 | C25 | N44 | 63.6° | 160.0° |
| O28 | C26 | C25 | H25 | 179.6° | 40.0° |
| C26 | O28 | C29 | H29 | 75.5° | 30.0° |
| O28 | C29 | C30 | C31 | 117.3° | 120.0° |
| O28 | C29 | C30 | H29 | 120.7° | 120.0° |
| O28 | C29 | C31 | H29 | 119.6° | 120.0° |
| O28 | C29 | C31 | C32 | 43.3° | 65.0° |
| O28 | C29 | C30 | H30B | 180.0° | 60.0° |
| O28 | C29 | C30 | H30C | 60.0° | 59.9° |
| O28 | C29 | C30 | H30A | 60.0° | 180.0° |
| O28 | C29 | C31 | H31A | 77.6° | 54.9° |
| O28 | C29 | C31 | H31B | 164.2° | 175.0° |
| C30 | C29 | C31 | H29 | 122.1° | 120.0° |
| C30 | C29 | C31 | C32 | 161.6° | 175.0° |
| C29 | C30 | H30B | H30C | 120.0° | 120.0° |
| C29 | C30 | H30B | H30A | 120.0° | 120.0° |
| C29 | C30 | H30C | H30A | 120.0° | 120.1° |
| C30 | C29 | C31 | H31A | 40.8° | 65.1° |
| C30 | C29 | C31 | H31B | 77.5° | 55.0° |
| C29 | C31 | C32 | H31A | 120.9° | 120.0° |
| C29 | C31 | C32 | H31B | 120.9° | 119.9° |
| C29 | C31 | C32 | O33 | 105.6° | 0.1° |
| C29 | C31 | C32 | N34 | 74.6° | 180.0° |
| C31 | C29 | C30 | H30B | 62.7° | 60.0° |
| C31 | C29 | C30 | H30C | 57.3° | 180.0° |
| C31 | C29 | C30 | H30A | 177.3° | 60.0° |
| C29 | C31 | H31A | H31B | 117.3° | 120.0° |
| C31 | C32 | O33 | N34 | 179.7° | 179.9° |
| C31 | C32 | N34 | C35 | 26.5° | 180.0° |
| C32 | C31 | C29 | H29 | 76.3° | 55.0° |
| C32 | C31 | H31A | H31B | 117.3° | 120.0° |
| C31 | C32 | N34 | H34 | 153.5° | 0.0° |
| O33 | C32 | N34 | C35 | 153.8° | 0.0° |
| O33 | C32 | C31 | H31A | 15.2° | 119.9° |
| O33 | C32 | C31 | H31B | 133.5° | 120.0° |
| O33 | C32 | N34 | H34 | 26.2° | 179.9° |
| C32 | N34 | C35 | H34 | 180.0° | 179.9° |
| C32 | N34 | C35 | C36 | 78.9° | 155.0° |
| C32 | N34 | C35 | C41 | 161.9° | 85.9° |
| N34 | C32 | C31 | H31A | 164.5° | 60.0° |
| N34 | C32 | C31 | H31B | 46.2° | 60.1° |
| C32 | N34 | C35 | H35 | 45.1° | 34.6° |
| N34 | C35 | C36 | C41 | 112.8° | 119.9° |
| N34 | C35 | C36 | H35 | 124.6° | 120.4° |
| N34 | C35 | C36 | C37 | 174.6° | 155.1° |
| N34 | C35 | C41 | N40 | 167.2° | 169.0° |
| N34 | C35 | C41 | O42 | 12.5° | 11.0° |
| N34 | C35 | C41 | H35 | 117.6° | 120.5° |
| N34 | C35 | C36 | H36A | 53.9° | 84.5° |
| N34 | C35 | C36 | H36B | 64.7° | 34.9° |
| C35 | C36 | C37 | H36A | 120.7° | 120.3° |
| C35 | C36 | C37 | H36B | 120.7° | 120.3° |
| C35 | C36 | C37 | C38 | 17.3° | 66.8° |
| C36 | C35 | C41 | N40 | 47.3° | 71.2° |
| C36 | C35 | C41 | O42 | 132.3° | 108.7° |
| C36 | C35 | C41 | H35 | 122.5° | 119.7° |
| C35 | C36 | H36A | H36B | 117.8° | 119.4° |
| C35 | C36 | C37 | H37B | 103.8° | 172.1° |
| C35 | C36 | C37 | H37A | 138.3° | 54.3° |
| C36 | C35 | N34 | H34 | 101.1° | 25.0° |
| C36 | C37 | C38 | H37B | 121.1° | 121.1° |
| C36 | C37 | C38 | H37A | 121.1° | 121.1° |
| C36 | C37 | C38 | C39 | 76.0° | 67.0° |
| C37 | C36 | C35 | C41 | 61.8° | 85.0° |
| C37 | C36 | C35 | H35 | 60.8° | 34.7° |
| C37 | C36 | H36A | H36B | 117.8° | 119.4° |
| C36 | C37 | H37B | H37A | 116.7° | 117.9° |
| C36 | C37 | C38 | H38A | 163.4° | 53.4° |
| C36 | C37 | C38 | H38B | 44.7° | 172.6° |
| C37 | C38 | C39 | H38A | 120.7° | 120.3° |
| C37 | C38 | C39 | H38B | 120.6° | 120.4° |
| C37 | C38 | C39 | N40 | 25.2° | 86.5° |
| C38 | C37 | C36 | H36A | 138.0° | 53.5° |
| C38 | C37 | C36 | H36B | 103.5° | 172.9° |
| C38 | C37 | H37B | H37A | 116.7° | 117.9° |
| C37 | C38 | H38A | H38B | 118.0° | 119.3° |
| C37 | C38 | C39 | H39A | 95.3° | 153.8° |
| C37 | C38 | C39 | H39B | 145.7° | 33.3° |
| C38 | C39 | N40 | H39A | 120.5° | 119.8° |
| C38 | C39 | N40 | H39B | 120.4° | 119.8° |
| C38 | C39 | N40 | C41 | 59.3° | 72.0° |
| C38 | C39 | N40 | O43 | 120.1° | 108.0° |
| C39 | C38 | C37 | H37B | 45.1° | 171.9° |
| C39 | C38 | C37 | H37A | 163.0° | 54.1° |
| C39 | C38 | H38A | H38B | 118.0° | 119.3° |
| C38 | C39 | H39A | H39B | 118.6° | 120.4° |
| C39 | N40 | C41 | O43 | 179.5° | 180.0° |
| C39 | N40 | C41 | O42 | 136.7° | 179.7° |
| C39 | N40 | C41 | C35 | 43.7° | 0.3° |
| N40 | C39 | C38 | H38A | 145.9° | 33.9° |
| N40 | C39 | C38 | H38B | 95.5° | 153.1° |
| N40 | C39 | H39A | H39B | 118.7° | 120.4° |
| C39 | N40 | O43 | H43 | 162.0° | 180.0° |
| N40 | C41 | O42 | C35 | 179.6° | 180.0° |
| N40 | C41 | C35 | H35 | 75.2° | 48.5° |
| C41 | N40 | C39 | H39A | 179.8° | 168.2° |
| C41 | N40 | C39 | H39B | 61.1° | 47.8° |
| C41 | N40 | O43 | H43 | 18.5° | 0.1° |
| O42 | C41 | N40 | O43 | 43.8° | 0.3° |
| O42 | C41 | C35 | H35 | 105.2° | 131.5° |
| O43 | N40 | C41 | C35 | 135.8° | 179.7° |
| O43 | N40 | C39 | H39A | 0.3° | 11.7° |
| O43 | N40 | C39 | H39B | 119.4° | 132.2° |
| C25 | N44 | C45 | H44 | 180.0° | 179.9° |
| C25 | N44 | C45 | O46 | 1.5° | 0.1° |
| C25 | N44 | C45 | C47 | 178.5° | 180.0° |
| N44 | C25 | C24 | H24A | 166.1° | 175.0° |
| N44 | C25 | C24 | H24B | 47.3° | 55.0° |
| N44 | C45 | O46 | C47 | 180.0° | 179.9° |
| N44 | C45 | C47 | C48 | 47.0° | 80.1° |
| N44 | C45 | C47 | N51 | 66.4° | 167.3° |
| C45 | N44 | C25 | H25 | 17.7° | 180.0° |
| N44 | C45 | C47 | H47 | 170.8° | 43.6° |
| O46 | C45 | C47 | C48 | 133.0° | 100.0° |
| O46 | C45 | C47 | N51 | 113.6° | 12.6° |
| O46 | C45 | C47 | H47 | 9.2° | 136.3° |
| O46 | C45 | N44 | H44 | 178.5° | 180.0° |
| C45 | C47 | C48 | N51 | 116.6° | 118.1° |
| C45 | C47 | C48 | H47 | 123.9° | 123.6° |
| C45 | C47 | C48 | O49 | 106.2° | 141.7° |
| C45 | C47 | N51 | C50 | 101.3° | 133.2° |
| C45 | C47 | N51 | H47 | 122.4° | 123.6° |
| C45 | C47 | C48 | H48A | 12.9° | 23.7° |
| C45 | C47 | C48 | H48B | 134.6° | 100.3° |
| C47 | C45 | N44 | H44 | 1.5° | 0.1° |
| C47 | C48 | O49 | H48A | 119.2° | 118.0° |
| C47 | C48 | O49 | H48B | 119.2° | 118.0° |
| C47 | C48 | O49 | C50 | 0.4° | 24.9° |
| C48 | C47 | N51 | C50 | 17.5° | 15.1° |
| C48 | C47 | N51 | H47 | 118.8° | 118.2° |
| C47 | C48 | H48A | H48B | 122.5° | 124.0° |
| C48 | O49 | C50 | N51 | 12.4° | 17.3° |
| C48 | O49 | C50 | C52 | 164.1° | 162.7° |
| O49 | C48 | C47 | N51 | 10.4° | 23.5° |
| O49 | C48 | C47 | H47 | 129.9° | 94.7° |
| O49 | C48 | H48A | H48B | 122.5° | 124.0° |
| O49 | C50 | N51 | C52 | 176.1° | 180.0° |
| O49 | C50 | C52 | C53 | 18.3° | 0.0° |
| O49 | C50 | N51 | C47 | 19.7° | 0.4° |
| O49 | C50 | C52 | C57 | 163.4° | 179.8° |
| C50 | O49 | C48 | H48A | 119.6° | 93.1° |
| C50 | O49 | C48 | H48B | 118.7° | 142.9° |
| N51 | C50 | C52 | C53 | 157.8° | 180.0° |
| N51 | C50 | C52 | C57 | 20.5° | 0.3° |
| C50 | N51 | C47 | H47 | 136.3° | 103.1° |
| C50 | C52 | C53 | C57 | 178.3° | 179.8° |
| C50 | C52 | C53 | C54 | 178.1° | 180.0° |
| C50 | C52 | C57 | C56 | 178.1° | 179.8° |
| C50 | C52 | C57 | O58 | 2.3° | 0.3° |
| C52 | C50 | N51 | C47 | 156.4° | 179.6° |
| C50 | C52 | C53 | H53 | 1.9° | 0.0° |
| C52 | C53 | C54 | H53 | 180.0° | 179.9° |
| C52 | C53 | C54 | C55 | 0.1° | 0.0° |
| C53 | C52 | C57 | C56 | 0.2° | 0.5° |
| C53 | C52 | C57 | O58 | 179.4° | 180.0° |
| C52 | C53 | C54 | H54 | 179.9° | 180.0° |
| C53 | C54 | C55 | H54 | 180.0° | 180.0° |
| C53 | C54 | C55 | C56 | 0.0° | 0.0° |
| C54 | C53 | C52 | C57 | 0.2° | 0.2° |
| C53 | C54 | C55 | H55 | 180.0° | 180.0° |
| C54 | C55 | C56 | H55 | 180.0° | 180.0° |
| C54 | C55 | C56 | C57 | 0.1° | 0.3° |
| C55 | C54 | C53 | H53 | 179.9° | 180.0° |
| C54 | C55 | C56 | H56 | 179.9° | 179.9° |
| C55 | C56 | C57 | H56 | 180.0° | 179.8° |
| C55 | C56 | C57 | O58 | 179.4° | 180.0° |
| C55 | C56 | C57 | C52 | 0.2° | 0.5° |
| C56 | C55 | C54 | H54 | 180.0° | 180.0° |
| C56 | C57 | O58 | C52 | 179.6° | 179.5° |
| C57 | C56 | C55 | H55 | 179.9° | 179.7° |
| C56 | C57 | O58 | H58 | 180.0° | 90.0° |
| O58 | C57 | C56 | H56 | 0.6° | 0.2° |
| O59 | N20 | C21 | H21A | 81.2° | 135.0° |
| O59 | N20 | C21 | H21B | 159.6° | 15.0° |
| C41 | C35 | C36 | H36A | 58.9° | 35.4° |
| C41 | C35 | C36 | H36B | 177.5° | 154.8° |
| C41 | C35 | N34 | H34 | 18.1° | 94.1° |
| N51 | C47 | C48 | H48A | 129.5° | 94.5° |
| N51 | C47 | C48 | H48B | 108.8° | 141.5° |
| C57 | C52 | C53 | H53 | 179.8° | 179.7° |
| C52 | C57 | C56 | H56 | 179.8° | 179.7° |
| C52 | C57 | O58 | H58 | 0.4° | 90.5° |
| H4B | C4 | C5 | H5A | 173.1° | 60.1° |
| H4B | C4 | C5 | H5B | 68.2° | 180.0° |
| H4B | C4 | C3 | H3B | 61.8° | 180.0° |
| H4B | C4 | C3 | H3A | 179.5° | 60.0° |
| H4A | C4 | C5 | H5A | 54.5° | 179.9° |
| H4A | C4 | C5 | H5B | 173.2° | 60.0° |
| H4A | C4 | C3 | H3B | 56.7° | 60.0° |
| H4A | C4 | C3 | H3A | 61.9° | 180.0° |
| H5A | C5 | C6 | H6A | 152.8° | 179.9° |
| H5A | C5 | C6 | H6B | 34.2° | 60.0° |
| H5B | C5 | C6 | H6A | 88.5° | 60.0° |
| H5B | C5 | C6 | H6B | 152.9° | 180.0° |
| H6A | C6 | C7 | H7A | 162.7° | 180.0° |
| H6A | C6 | C7 | H7B | 43.9° | 59.9° |
| H6B | C6 | C7 | H7A | 78.8° | 60.0° |
| H6B | C6 | C7 | H7B | 162.5° | 180.0° |
| H7A | C7 | C8 | H8B | 80.5° | 180.0° |
| H7A | C7 | C8 | H8A | 160.6° | 60.0° |
| H7B | C7 | C8 | H8B | 38.2° | 59.9° |
| H7B | C7 | C8 | H8A | 80.6° | 180.0° |
| H8B | C8 | C9 | H9A | 160.5° | 180.0° |
| H8B | C8 | C9 | H9B | 41.8° | 60.0° |
| H8A | C8 | C9 | H9A | 80.7° | 60.0° |
| H8A | C8 | C9 | H9B | 160.6° | 180.0° |
| H10A | C10 | C11 | H11B | 47.6° | 60.0° |
| H10A | C10 | C11 | H11A | 71.0° | 180.0° |
| H10A | C10 | C9 | H9A | 167.0° | 60.0° |
| H10A | C10 | C9 | H9B | 74.3° | 180.0° |
| H10B | C10 | C11 | H11B | 166.2° | 180.0° |
| H10B | C10 | C11 | H11A | 47.6° | 60.0° |
| H10B | C10 | C9 | H9A | 48.4° | NaN° |
| H10B | C10 | C9 | H9B | 167.1° | 60.0° |
| H13B | C13 | C12 | H12B | 176.6° | 60.0° |
| H13B | C13 | C12 | H12A | 64.6° | 180.0° |
| H13B | C13 | C14 | H14A | 71.1° | 180.0° |
| H13B | C13 | C14 | H14B | 170.4° | 60.0° |
| H13A | C13 | C12 | H12B | 58.1° | 180.0° |
| H13A | C13 | C12 | H12A | 176.8° | 60.0° |
| H13A | C13 | C14 | H14A | 47.5° | 60.0° |
| H13A | C13 | C14 | H14B | 71.1° | 180.0° |
| H15B | C15 | C14 | H14A | 169.2° | 180.0° |
| H15B | C15 | C14 | H14B | 50.6° | 59.9° |
| H15B | C15 | C16 | H16 | 162.7° | 170.8° |
| H15A | C15 | C14 | H14A | 71.8° | 60.0° |
| H15A | C15 | C14 | H14B | 169.6° | 180.0° |
| H15A | C15 | C16 | H16 | 43.6° | 69.1° |
| H17 | C17 | C16 | H16 | 76.7° | 16.1° |
| H21A | C21 | C22 | H22B | 133.1° | 60.0° |
| H21A | C21 | C22 | H22A | 14.3° | 180.0° |
| H21B | C21 | C22 | H22B | 107.7° | 180.0° |
| H21B | C21 | C22 | H22A | 133.5° | 60.0° |
| H22B | C22 | C23 | H23A | 65.1° | 180.0° |
| H22B | C22 | C23 | H23B | 176.0° | 60.0° |
| H22A | C22 | C23 | H23A | 53.7° | 59.9° |
| H22A | C22 | C23 | H23B | 65.2° | 180.0° |
| H24A | C24 | C23 | H23A | 170.0° | 180.0° |
| H24A | C24 | C23 | H23B | 51.2° | 60.0° |
| H24A | C24 | C25 | H25 | 77.7° | 64.9° |
| H24B | C24 | C23 | H23A | 71.3° | 60.0° |
| H24B | C24 | C23 | H23B | 169.9° | 180.0° |
| H24B | C24 | C25 | H25 | 163.5° | 175.0° |
| H1A | C1 | H1C | H1B | 120.0° | 120.0° |
| H1A | C1 | C2 | H2B | 59.5° | NaN° |
| H1A | C1 | C2 | H2A | 59.5° | 60.0° |
| H1C | C1 | C2 | H2B | 60.6° | 59.9° |
| H1C | C1 | C2 | H2A | 179.5° | 60.1° |
| H1B | C1 | C2 | H2B | 179.5° | 60.0° |
| H1B | C1 | C2 | H2A | 60.5° | 180.0° |
| H11B | C11 | C12 | H12B | 98.6° | 59.9° |
| H11B | C11 | C12 | H12A | 142.7° | 180.0° |
| H11A | C11 | C12 | H12B | 20.0° | 180.0° |
| H11A | C11 | C12 | H12A | 98.7° | 60.0° |
| H2B | C2 | C3 | H3B | 172.0° | 60.0° |
| H2B | C2 | C3 | H3A | 53.4° | 180.0° |
| H2A | C2 | C3 | H3B | 69.0° | 180.0° |
| H2A | C2 | C3 | H3A | 172.4° | 60.0° |
| H25 | C25 | N44 | H44 | 162.3° | 0.1° |
| H29 | C29 | C30 | H30B | 59.3° | 180.0° |
| H29 | C29 | C30 | H30C | 179.3° | 60.0° |
| H29 | C29 | C30 | H30A | 60.7° | 60.0° |
| H29 | C29 | C31 | H31A | 162.8° | 174.9° |
| H29 | C29 | C31 | H31B | 44.6° | 65.0° |
| H30B | C30 | H30C | H30A | 120.0° | 119.9° |
| H35 | C35 | C36 | H36A | 178.5° | 155.1° |
| H35 | C35 | C36 | H36B | 59.9° | 85.5° |
| H35 | C35 | N34 | H34 | 134.9° | 145.4° |
| H36A | C36 | C37 | H37B | 16.9° | 67.6° |
| H36A | C36 | C37 | H37A | 101.0° | 174.6° |
| H36B | C36 | C37 | H37B | 135.5° | 51.8° |
| H36B | C36 | C37 | H37A | 17.6° | 66.0° |
| H37B | C37 | C38 | H38A | 75.5° | 67.7° |
| H37B | C37 | C38 | H38B | 165.8° | 51.5° |
| H37A | C37 | C38 | H38A | 42.3° | 174.5° |
| H37A | C37 | C38 | H38B | 76.4° | 66.3° |
| H38A | C38 | C39 | H39A | 25.4° | 85.9° |
| H38A | C38 | C39 | H39B | 93.7° | 153.7° |
| H38B | C38 | C39 | H39A | 144.1° | 33.4° |
| H38B | C38 | C39 | H39B | 25.0° | 87.1° |
| H47 | C47 | C48 | H48A | 111.0° | 147.3° |
| H47 | C47 | C48 | H48B | 10.7° | 23.3° |
| H53 | C53 | C54 | H54 | 0.0° | 0.0° |
| H54 | C54 | C55 | H55 | 0.0° | 0.0° |
| H55 | C55 | C56 | H56 | 0.1° | 0.0° |
