NSY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.33Å | |
| C7 | C1 | sing | 1.51Å | 1.53Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| O3 | C2 | doub | 1.21Å | 1.19Å | |
| C2 | N16 | sing | 1.35Å | 1.49Å | |
| C4 | C5 | doub | 1.39Å | 1.59Å | Aromatic |
| C12 | C4 | sing | 1.48Å | 1.53Å | Aromatic |
| C4 | C9 | sing | 1.39Å | 1.54Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.45Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | C7 | doub | 1.38Å | 1.55Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | C7 | sing | 1.38Å | 1.62Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.55Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C13 | C10 | doub | 1.38Å | 1.57Å | Aromatic |
| C10 | C15 | sing | 1.38Å | 1.54Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | C11 | sing | 1.38Å | 1.54Å | Aromatic |
| C11 | C12 | doub | 1.39Å | 1.56Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | C14 | sing | 1.39Å | 1.72Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | C14 | doub | 1.38Å | 1.47Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| N16 | C17 | sing | 1.47Å | 1.42Å | |
| N16 | HN16 | sing | 0.97Å | 1.00Å | |
| C20 | C17 | sing | 1.53Å | 1.45Å | |
| C17 | C18 | sing | 1.51Å | 1.49Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| O19 | C18 | doub | 1.21Å | 1.31Å | |
| C18 | N29 | sing | 1.35Å | 1.49Å | |
| C69 | C20 | sing | 1.53Å | 1.50Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C23 | C22 | sing | 1.51Å | 1.31Å | |
| C22 | C68 | sing | 1.51Å | 1.38Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C25 | C23 | doub | 1.38Å | 1.47Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.50Å | Aromatic |
| C26 | C24 | doub | 1.38Å | 1.49Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C27 | C25 | sing | 1.38Å | 1.50Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C28 | C26 | sing | 1.39Å | 1.50Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C28 | C27 | doub | 1.39Å | 1.53Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C62 | C28 | sing | 1.48Å | 1.42Å | Aromatic |
| N29 | C30 | sing | 1.47Å | 1.40Å | |
| N29 | HN29 | sing | 0.97Å | 1.00Å | |
| C31 | C30 | sing | 1.53Å | 1.64Å | |
| C30 | C38 | sing | 1.51Å | 1.44Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C32 | C31 | sing | 1.53Å | 1.58Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| C32 | C33 | sing | 1.53Å | 1.54Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| N34 | C33 | sing | 1.47Å | 1.48Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å | |
| N34 | C35 | sing | 1.37Å | 1.47Å | |
| N34 | HN34 | sing | 0.97Å | 1.00Å | |
| N37 | C35 | doub | 1.30Å | 1.38Å | |
| C35 | N36 | sing | 1.38Å | 1.39Å | |
| N36 | HN36 | sing | 0.97Å | 1.00Å | |
| N36 | HN3A | sing | 0.97Å | 1.00Å | |
| N37 | HN37 | sing | 0.97Å | 1.00Å | |
| C38 | N40 | sing | 1.35Å | 1.34Å | |
| C38 | O39 | doub | 1.21Å | 1.23Å | |
| N40 | C41 | sing | 1.46Å | 1.45Å | |
| N40 | HN40 | sing | 0.97Å | 1.00Å | |
| C42 | C41 | sing | 1.51Å | 1.59Å | |
| C41 | C44 | sing | 1.53Å | 1.56Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| O43 | C42 | doub | 1.21Å | 1.21Å | |
| C42 | N60 | sing | 1.35Å | 1.49Å | |
| C44 | C45 | sing | 1.51Å | 1.57Å | |
| C44 | H44 | sing | 1.09Å | 1.10Å | |
| C44 | H44A | sing | 1.09Å | 1.10Å | |
| C47 | C45 | doub | 1.38Å | 1.62Å | Aromatic |
| C45 | C46 | sing | 1.38Å | 1.53Å | Aromatic |
| C46 | C48 | doub | 1.38Å | 1.51Å | Aromatic |
| C46 | H46 | sing | 1.08Å | 1.08Å | |
| C47 | C49 | sing | 1.38Å | 1.48Å | Aromatic |
| C47 | H47 | sing | 1.08Å | 1.08Å | |
| C50 | C48 | sing | 1.38Å | 1.56Å | Aromatic |
| C48 | H48 | sing | 1.08Å | 1.08Å | |
| C49 | C50 | doub | 1.38Å | 1.50Å | Aromatic |
| C49 | H49 | sing | 1.08Å | 1.08Å | |
| C50 | H50 | sing | 1.08Å | 1.08Å | |
| C57 | C52 | doub | 1.38Å | 1.50Å | Aromatic |
| C58 | C52 | sing | 1.51Å | 1.41Å | |
| C52 | C53 | sing | 1.38Å | 1.63Å | Aromatic |
| C53 | C54 | doub | 1.38Å | 1.54Å | Aromatic |
| C53 | H53 | sing | 1.08Å | 1.08Å | |
| C55 | C54 | sing | 1.38Å | 1.51Å | Aromatic |
| C54 | H54 | sing | 1.08Å | 1.08Å | |
| C56 | C55 | doub | 1.38Å | 1.50Å | Aromatic |
| C55 | H55 | sing | 1.08Å | 1.08Å | |
| C57 | C56 | sing | 1.38Å | 1.49Å | Aromatic |
| C56 | H56 | sing | 1.08Å | 1.08Å | |
| C57 | H57 | sing | 1.08Å | 1.08Å | |
| C58 | C59 | sing | 1.53Å | 1.45Å | |
| C58 | H58 | sing | 1.09Å | 1.10Å | |
| C58 | H58A | sing | 1.09Å | 1.10Å | |
| N60 | C59 | sing | 1.47Å | 1.54Å | |
| C59 | H59 | sing | 1.09Å | 1.10Å | |
| C59 | H59A | sing | 1.09Å | 1.10Å | |
| N60 | HN60 | sing | 0.97Å | 1.00Å | |
| C64 | C62 | doub | 1.39Å | 1.53Å | Aromatic |
| C63 | C62 | sing | 1.39Å | 1.56Å | Aromatic |
| C65 | C63 | doub | 1.38Å | 1.53Å | Aromatic |
| C63 | H63 | sing | 1.08Å | 1.08Å | |
| C66 | C64 | sing | 1.38Å | 1.47Å | Aromatic |
| C64 | H64 | sing | 1.08Å | 1.08Å | |
| C67 | C65 | sing | 1.38Å | 1.47Å | Aromatic |
| C65 | H65 | sing | 1.08Å | 1.08Å | |
| C67 | C66 | doub | 1.38Å | 1.48Å | Aromatic |
| C66 | H66 | sing | 1.08Å | 1.08Å | |
| C67 | H67 | sing | 1.08Å | 1.08Å | |
| O73 | C68 | doub | 1.21Å | 1.13Å | |
| C68 | N72 | sing | 1.35Å | 1.26Å | |
| C70 | C69 | sing | 1.53Å | 1.27Å | |
| C69 | H69 | sing | 1.09Å | 1.10Å | |
| C71 | C70 | sing | 1.53Å | 1.53Å | |
| C70 | H70 | sing | 1.09Å | 1.10Å | |
| N72 | C71 | sing | 1.46Å | 1.53Å | |
| C71 | H71 | sing | 1.09Å | 1.10Å | |
| C71 | H71A | sing | 1.09Å | 1.10Å | |
| N72 | HN72 | sing | 0.97Å | 1.00Å | |
| C69 | H69A | sing | 1.09Å | 1.10Å | |
| C70 | H70A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C7 | 121.0° | 109.5° |
| C2 | C1 | H1 | 105.8° | 109.4° |
| C2 | C1 | H1A | 105.8° | 109.5° |
| C1 | C2 | O3 | 123.6° | 120.0° |
| C1 | C2 | N16 | 112.9° | 120.0° |
| C7 | C1 | H1 | 105.8° | 109.5° |
| C7 | C1 | H1A | 105.8° | 109.5° |
| C1 | C7 | C6 | 110.0° | 119.9° |
| C1 | C7 | C8 | 128.8° | 119.9° |
| H1 | C1 | H1A | 112.9° | 109.5° |
| O3 | C2 | N16 | 123.5° | 120.0° |
| C2 | N16 | C17 | 129.9° | 120.0° |
| C2 | N16 | HN16 | 115.1° | 120.0° |
| C5 | C4 | C12 | 117.2° | 120.1° |
| C5 | C4 | C9 | 119.5° | 119.7° |
| C4 | C5 | C6 | 120.4° | 119.9° |
| C4 | C5 | H5 | 119.8° | 120.0° |
| C12 | C4 | C9 | 123.3° | 120.2° |
| C4 | C12 | C11 | 126.3° | 120.1° |
| C4 | C12 | C14 | 114.9° | 120.1° |
| C4 | C9 | C8 | 122.0° | 119.9° |
| C4 | C9 | H9 | 119.0° | 120.0° |
| C6 | C5 | H5 | 119.8° | 120.1° |
| C5 | C6 | C7 | 121.5° | 120.1° |
| C5 | C6 | H6 | 119.3° | 119.9° |
| C7 | C6 | H6 | 119.3° | 120.0° |
| C6 | C7 | C8 | 121.1° | 120.2° |
| C7 | C8 | C9 | 115.6° | 120.1° |
| C7 | C8 | H8 | 122.2° | 119.9° |
| C9 | C8 | H8 | 122.2° | 119.9° |
| C8 | C9 | H9 | 119.0° | 120.1° |
| C13 | C10 | C15 | 119.8° | 120.2° |
| C13 | C10 | H10 | 120.1° | 119.9° |
| C10 | C13 | C11 | 125.6° | 120.1° |
| C10 | C13 | H13 | 117.2° | 120.0° |
| C15 | C10 | H10 | 120.1° | 119.9° |
| C10 | C15 | C14 | 119.3° | 120.1° |
| C10 | C15 | H15 | 120.3° | 119.9° |
| C13 | C11 | C12 | 115.3° | 119.9° |
| C13 | C11 | H11 | 122.3° | 120.0° |
| C11 | C13 | H13 | 117.2° | 119.9° |
| C12 | C11 | H11 | 122.4° | 120.1° |
| C11 | C12 | C14 | 118.7° | 119.8° |
| C12 | C14 | C15 | 121.2° | 119.9° |
| C12 | C14 | H14 | 119.4° | 120.1° |
| C15 | C14 | H14 | 119.4° | 120.1° |
| C14 | C15 | H15 | 120.3° | 119.9° |
| C17 | N16 | HN16 | 115.1° | 120.0° |
| N16 | C17 | C20 | 112.4° | 109.5° |
| N16 | C17 | C18 | 98.2° | 109.4° |
| N16 | C17 | H17 | 115.7° | 109.5° |
| C20 | C17 | C18 | 112.0° | 109.5° |
| C20 | C17 | H17 | 102.9° | 109.5° |
| C17 | C20 | C69 | 122.9° | 109.5° |
| C17 | C20 | H20 | 105.2° | 109.5° |
| C17 | C20 | H20A | 105.2° | 109.5° |
| C18 | C17 | H17 | 116.1° | 109.5° |
| C17 | C18 | O19 | 122.5° | 120.0° |
| C17 | C18 | N29 | 112.9° | 120.0° |
| O19 | C18 | N29 | 124.5° | 120.0° |
| C18 | N29 | C30 | 120.1° | 120.0° |
| C18 | N29 | HN29 | 120.0° | 120.0° |
| C69 | C20 | H20 | 105.3° | 109.5° |
| C69 | C20 | H20A | 105.2° | 109.5° |
| C20 | C69 | C70 | 131.1° | 109.5° |
| C20 | C69 | H69 | 102.8° | 109.5° |
| C20 | C69 | H69A | 102.8° | 109.5° |
| H20 | C20 | H20A | 113.3° | 109.4° |
| C23 | C22 | C68 | 128.3° | 109.5° |
| C23 | C22 | H22 | 103.6° | 109.4° |
| C23 | C22 | H22A | 103.6° | 109.5° |
| C22 | C23 | C25 | 118.5° | 119.9° |
| C22 | C23 | C24 | 124.1° | 119.8° |
| C68 | C22 | H22 | 103.6° | 109.4° |
| C68 | C22 | H22A | 103.6° | 109.5° |
| C22 | C68 | O73 | 110.7° | 120.0° |
| C22 | C68 | N72 | 120.7° | 120.1° |
| H22 | C22 | H22A | 114.6° | 109.4° |
| C25 | C23 | C24 | 117.4° | 120.3° |
| C23 | C25 | C27 | 120.8° | 120.1° |
| C23 | C25 | H25 | 119.6° | 119.9° |
| C23 | C24 | C26 | 122.6° | 120.1° |
| C23 | C24 | H24 | 118.7° | 119.9° |
| C26 | C24 | H24 | 118.7° | 120.0° |
| C24 | C26 | C28 | 121.0° | 119.9° |
| C24 | C26 | H26 | 119.5° | 120.1° |
| C27 | C25 | H25 | 119.6° | 120.0° |
| C25 | C27 | C28 | 122.3° | 119.9° |
| C25 | C27 | H27 | 118.9° | 120.0° |
| C28 | C26 | H26 | 119.5° | 120.0° |
| C26 | C28 | C27 | 115.9° | 119.7° |
| C26 | C28 | C62 | 120.4° | 120.2° |
| C28 | C27 | H27 | 118.9° | 120.1° |
| C27 | C28 | C62 | 123.6° | 120.1° |
| C28 | C62 | C64 | 123.0° | 120.1° |
| C28 | C62 | C63 | 121.9° | 120.1° |
| C30 | N29 | HN29 | 119.9° | 120.0° |
| N29 | C30 | C31 | 116.7° | 109.5° |
| N29 | C30 | C38 | 116.9° | 109.5° |
| N29 | C30 | H30 | 96.7° | 109.4° |
| C31 | C30 | C38 | 103.9° | 109.5° |
| C31 | C30 | H30 | 111.5° | 109.4° |
| C30 | C31 | C32 | 124.3° | 109.5° |
| C30 | C31 | H31 | 104.8° | 109.5° |
| C30 | C31 | H31A | 104.8° | 109.5° |
| C38 | C30 | H30 | 111.3° | 109.5° |
| C30 | C38 | N40 | 119.3° | 120.0° |
| C30 | C38 | O39 | 116.4° | 120.0° |
| C32 | C31 | H31 | 104.8° | 109.5° |
| C32 | C31 | H31A | 104.8° | 109.5° |
| C31 | C32 | C33 | 112.5° | 109.5° |
| C31 | C32 | H32 | 108.5° | 109.5° |
| C31 | C32 | H32A | 108.5° | 109.4° |
| H31 | C31 | H31A | 113.7° | 109.4° |
| C33 | C32 | H32 | 108.5° | 109.5° |
| C33 | C32 | H32A | 108.5° | 109.5° |
| C32 | C33 | N34 | 121.1° | 109.5° |
| C32 | C33 | H33 | 105.8° | 109.5° |
| C32 | C33 | H33A | 105.8° | 109.5° |
| H32 | C32 | H32A | 110.4° | 109.4° |
| N34 | C33 | H33 | 105.8° | 109.4° |
| N34 | C33 | H33A | 105.8° | 109.4° |
| C33 | N34 | C35 | 120.7° | 120.1° |
| C33 | N34 | HN34 | 119.6° | 120.0° |
| H33 | C33 | H33A | 112.9° | 109.5° |
| C35 | N34 | HN34 | 119.6° | 120.0° |
| N34 | C35 | N37 | 122.8° | 120.1° |
| N34 | C35 | N36 | 123.4° | 120.0° |
| N37 | C35 | N36 | 113.8° | 120.0° |
| C35 | N37 | HN37 | 112.0° | 120.0° |
| C35 | N36 | HN36 | 120.0° | 120.0° |
| C35 | N36 | HN3A | 120.0° | 120.0° |
| HN36 | N36 | HN3A | 120.0° | 120.1° |
| N40 | C38 | O39 | 124.3° | 119.9° |
| C38 | N40 | C41 | 121.5° | 120.0° |
| C38 | N40 | HN40 | 119.3° | 120.0° |
| C41 | N40 | HN40 | 119.3° | 120.0° |
| N40 | C41 | C42 | 106.8° | 109.5° |
| N40 | C41 | C44 | 114.6° | 109.5° |
| N40 | C41 | H41 | 107.1° | 109.5° |
| C42 | C41 | C44 | 107.1° | 109.4° |
| C42 | C41 | H41 | 114.6° | 109.5° |
| C41 | C42 | O43 | 121.5° | 120.0° |
| C41 | C42 | N60 | 113.0° | 120.0° |
| C44 | C41 | H41 | 106.8° | 109.4° |
| C41 | C44 | C45 | 107.6° | 109.5° |
| C41 | C44 | H44 | 110.1° | 109.4° |
| C41 | C44 | H44A | 110.1° | 109.5° |
| O43 | C42 | N60 | 125.5° | 120.0° |
| C42 | N60 | C59 | 117.7° | 120.0° |
| C42 | N60 | HN60 | 121.2° | 120.0° |
| C45 | C44 | H44 | 110.1° | 109.5° |
| C45 | C44 | H44A | 110.1° | 109.5° |
| C44 | C45 | C47 | 120.9° | 120.0° |
| C44 | C45 | C46 | 119.5° | 120.0° |
| H44 | C44 | H44A | 108.8° | 109.4° |
| C47 | C45 | C46 | 119.7° | 120.0° |
| C45 | C47 | C49 | 119.2° | 120.0° |
| C45 | C47 | H47 | 120.4° | 120.0° |
| C45 | C46 | C48 | 119.4° | 120.0° |
| C45 | C46 | H46 | 120.3° | 120.0° |
| C48 | C46 | H46 | 120.3° | 120.0° |
| C46 | C48 | C50 | 119.6° | 120.0° |
| C46 | C48 | H48 | 120.2° | 120.0° |
| C49 | C47 | H47 | 120.4° | 120.0° |
| C47 | C49 | C50 | 120.4° | 120.0° |
| C47 | C49 | H49 | 119.8° | 120.0° |
| C50 | C48 | H48 | 120.2° | 120.0° |
| C48 | C50 | C49 | 121.8° | 120.0° |
| C48 | C50 | H50 | 119.1° | 120.0° |
| C50 | C49 | H49 | 119.8° | 120.0° |
| C49 | C50 | H50 | 119.1° | 120.0° |
| C57 | C52 | C58 | 114.4° | 120.0° |
| C57 | C52 | C53 | 121.9° | 120.0° |
| C52 | C57 | C56 | 118.6° | 120.0° |
| C52 | C57 | H57 | 120.7° | 120.0° |
| C58 | C52 | C53 | 123.7° | 120.0° |
| C52 | C58 | C59 | 123.6° | 109.5° |
| C52 | C58 | H58 | 105.0° | 109.5° |
| C52 | C58 | H58A | 105.0° | 109.5° |
| C52 | C53 | C54 | 115.6° | 120.0° |
| C52 | C53 | H53 | 122.2° | 120.0° |
| C54 | C53 | H53 | 122.2° | 120.0° |
| C53 | C54 | C55 | 119.9° | 120.0° |
| C53 | C54 | H54 | 120.0° | 120.0° |
| C55 | C54 | H54 | 120.1° | 120.0° |
| C54 | C55 | C56 | 122.2° | 120.0° |
| C54 | C55 | H55 | 118.9° | 120.0° |
| C56 | C55 | H55 | 118.9° | 120.0° |
| C55 | C56 | C57 | 121.8° | 120.0° |
| C55 | C56 | H56 | 119.1° | 120.0° |
| C57 | C56 | H56 | 119.1° | 120.0° |
| C56 | C57 | H57 | 120.7° | 120.0° |
| C59 | C58 | H58 | 105.0° | 109.4° |
| C59 | C58 | H58A | 105.0° | 109.4° |
| C58 | C59 | N60 | 110.1° | 109.5° |
| C58 | C59 | H59 | 109.3° | 109.5° |
| C58 | C59 | H59A | 109.3° | 109.5° |
| H58 | C58 | H58A | 113.5° | 109.5° |
| N60 | C59 | H59 | 109.2° | 109.4° |
| N60 | C59 | H59A | 109.2° | 109.5° |
| C59 | N60 | HN60 | 121.2° | 120.0° |
| H59 | C59 | H59A | 109.7° | 109.5° |
| C64 | C62 | C63 | 115.1° | 119.8° |
| C62 | C64 | C66 | 122.9° | 119.9° |
| C62 | C64 | H64 | 118.6° | 120.0° |
| C62 | C63 | C65 | 120.6° | 119.8° |
| C62 | C63 | H63 | 119.7° | 120.1° |
| C65 | C63 | H63 | 119.7° | 120.1° |
| C63 | C65 | C67 | 119.9° | 120.2° |
| C63 | C65 | H65 | 120.0° | 119.9° |
| C66 | C64 | H64 | 118.5° | 120.1° |
| C64 | C66 | C67 | 120.5° | 120.1° |
| C64 | C66 | H66 | 119.7° | 119.9° |
| C67 | C65 | H65 | 120.1° | 119.9° |
| C65 | C67 | C66 | 120.9° | 120.2° |
| C65 | C67 | H67 | 119.6° | 119.9° |
| C67 | C66 | H66 | 119.7° | 120.0° |
| C66 | C67 | H67 | 119.5° | 119.9° |
| O73 | C68 | N72 | 128.6° | 119.9° |
| C68 | N72 | C71 | 115.3° | 120.1° |
| C68 | N72 | HN72 | 122.4° | 120.0° |
| C70 | C69 | H69 | 102.8° | 109.5° |
| C69 | C70 | C71 | 126.1° | 109.5° |
| C69 | C70 | H70 | 104.3° | 109.5° |
| C70 | C69 | H69A | 102.8° | 109.4° |
| C69 | C70 | H70A | 104.3° | 109.5° |
| H69 | C69 | H69A | 115.2° | 109.5° |
| C71 | C70 | H70 | 104.3° | 109.4° |
| C70 | C71 | N72 | 119.2° | 109.5° |
| C70 | C71 | H71 | 106.4° | 109.5° |
| C70 | C71 | H71A | 106.4° | 109.5° |
| C71 | C70 | H70A | 104.3° | 109.4° |
| H70 | C70 | H70A | 114.2° | 109.5° |
| N72 | C71 | H71 | 106.3° | 109.4° |
| N72 | C71 | H71A | 106.3° | 109.5° |
| C71 | N72 | HN72 | 122.3° | 120.0° |
| H71 | C71 | H71A | 112.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C7 | H1 | 120.0° | 120.0° |
| C2 | C1 | C7 | H1A | 120.0° | 120.0° |
| C2 | C1 | H1 | H1A | 115.3° | 120.0° |
| C1 | C2 | O3 | N16 | 178.5° | 180.0° |
| C2 | C1 | C7 | C6 | 162.3° | 90.0° |
| C2 | C1 | C7 | C8 | 19.6° | 90.0° |
| C1 | C2 | N16 | C17 | 178.5° | 180.0° |
| C1 | C2 | N16 | HN16 | 1.5° | 0.0° |
| C7 | C1 | H1 | H1A | 115.2° | 120.0° |
| C7 | C1 | C2 | O3 | 99.2° | 0.0° |
| C7 | C1 | C2 | N16 | 82.2° | 180.0° |
| C1 | C7 | C6 | C5 | 178.7° | 180.0° |
| C1 | C7 | C6 | C8 | 178.3° | 180.0° |
| C1 | C7 | C6 | H6 | 1.4° | 0.0° |
| C1 | C7 | C8 | C9 | 177.7° | 180.0° |
| C1 | C7 | C8 | H8 | 2.3° | 0.0° |
| H1 | C1 | C2 | O3 | 20.8° | 120.0° |
| H1 | C1 | C2 | N16 | 157.9° | 60.0° |
| H1 | C1 | C7 | C6 | 77.7° | 30.0° |
| H1 | C1 | C7 | C8 | 100.4° | 150.0° |
| H1A | C1 | C2 | O3 | 140.8° | 120.0° |
| H1A | C1 | C2 | N16 | 37.8° | 60.0° |
| H1A | C1 | C7 | C6 | 42.3° | 150.0° |
| H1A | C1 | C7 | C8 | 139.6° | 30.0° |
| O3 | C2 | N16 | C17 | 0.1° | 0.0° |
| O3 | C2 | N16 | HN16 | 179.9° | 180.0° |
| C2 | N16 | C17 | HN16 | 180.0° | 180.0° |
| C2 | N16 | C17 | C20 | 70.3° | 60.0° |
| C2 | N16 | C17 | C18 | 171.8° | 60.0° |
| C2 | N16 | C17 | H17 | 47.5° | 180.0° |
| C5 | C4 | C12 | C9 | 179.0° | 179.7° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 1.4° | 0.0° |
| C4 | C5 | C6 | H6 | 178.6° | 180.0° |
| C5 | C4 | C9 | C8 | 1.4° | 0.1° |
| C5 | C4 | C9 | H9 | 178.6° | 180.0° |
| C5 | C4 | C12 | C11 | 178.1° | 180.0° |
| C5 | C4 | C12 | C14 | 0.8° | 0.0° |
| C12 | C4 | C5 | C6 | 179.0° | 179.7° |
| C12 | C4 | C5 | H5 | 1.0° | 0.3° |
| C12 | C4 | C9 | C8 | 179.6° | 179.7° |
| C12 | C4 | C9 | H9 | 0.4° | 0.3° |
| C4 | C12 | C11 | C13 | 179.4° | 179.7° |
| C4 | C12 | C11 | C14 | 178.9° | 180.0° |
| C4 | C12 | C11 | H11 | 0.6° | 0.0° |
| C4 | C12 | C14 | C15 | 179.8° | 179.5° |
| C4 | C12 | C14 | H14 | 0.3° | 0.0° |
| C9 | C4 | C5 | C6 | 1.9° | 0.0° |
| C9 | C4 | C5 | H5 | 178.1° | 180.0° |
| C4 | C9 | C8 | C7 | 0.3° | 0.0° |
| C4 | C9 | C8 | H9 | 180.0° | 179.9° |
| C4 | C9 | C8 | H8 | 179.7° | 180.0° |
| C9 | C4 | C12 | C11 | 2.8° | 0.3° |
| C9 | C4 | C12 | C14 | 178.3° | 179.7° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.4° | 0.0° |
| H5 | C5 | C6 | C7 | 178.6° | 180.0° |
| H5 | C5 | C6 | H6 | 1.4° | 0.0° |
| C6 | C7 | C8 | C9 | 0.2° | 0.0° |
| C6 | C7 | C8 | H8 | 179.8° | 180.0° |
| H6 | C6 | C7 | C8 | 179.7° | 180.0° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | H9 | 179.6° | 180.0° |
| H8 | C8 | C9 | H9 | 0.4° | 0.0° |
| C13 | C10 | C15 | H10 | 180.0° | 179.7° |
| C10 | C13 | C11 | H13 | 180.0° | 179.9° |
| C10 | C13 | C11 | C12 | 0.3° | 0.1° |
| C10 | C13 | C11 | H11 | 179.7° | 179.8° |
| C13 | C10 | C15 | C14 | 0.6° | 0.3° |
| C13 | C10 | C15 | H15 | 179.4° | 179.7° |
| C15 | C10 | C13 | C11 | 0.4° | 0.1° |
| C10 | C15 | C14 | C12 | 0.8° | 0.5° |
| C15 | C10 | C13 | H13 | 179.7° | 180.0° |
| C10 | C15 | C14 | H15 | 180.0° | 180.0° |
| C10 | C15 | C14 | H14 | 179.3° | 180.0° |
| H10 | C10 | C13 | C11 | 179.7° | 179.8° |
| H10 | C10 | C13 | H13 | 0.3° | 0.3° |
| H10 | C10 | C15 | C14 | 179.5° | 180.0° |
| H10 | C10 | C15 | H15 | 0.5° | 0.0° |
| C13 | C11 | C12 | H11 | 180.0° | 179.7° |
| C13 | C11 | C12 | C14 | 0.5° | 0.3° |
| C12 | C11 | C13 | H13 | 179.7° | 180.0° |
| C11 | C12 | C14 | C15 | 0.7° | 0.5° |
| C11 | C12 | C14 | H14 | 179.3° | 180.0° |
| H11 | C11 | C12 | C14 | 179.5° | 180.0° |
| H11 | C11 | C13 | H13 | 0.3° | 0.3° |
| C12 | C14 | C15 | H14 | 180.0° | 179.5° |
| C12 | C14 | C15 | H15 | 179.2° | 179.5° |
| H14 | C14 | C15 | H15 | 0.7° | 0.0° |
| N16 | C17 | C20 | C18 | 109.4° | 120.0° |
| N16 | C17 | C20 | H17 | 125.2° | 120.0° |
| N16 | C17 | C18 | H17 | 124.0° | 120.0° |
| N16 | C17 | C18 | O19 | 24.2° | 20.0° |
| N16 | C17 | C18 | N29 | 154.0° | 160.0° |
| N16 | C17 | C20 | C69 | 113.2° | 65.0° |
| N16 | C17 | C20 | H20 | 6.8° | 55.0° |
| N16 | C17 | C20 | H20A | 126.8° | 175.0° |
| HN16 | N16 | C17 | C20 | 109.7° | 120.0° |
| HN16 | N16 | C17 | C18 | 8.2° | 120.0° |
| HN16 | N16 | C17 | H17 | 132.5° | 0.1° |
| C20 | C17 | C18 | H17 | 117.8° | 120.0° |
| C20 | C17 | C18 | O19 | 94.0° | 100.0° |
| C20 | C17 | C18 | N29 | 87.7° | 80.0° |
| C17 | C20 | C69 | H20 | 120.0° | 120.0° |
| C17 | C20 | C69 | H20A | 120.0° | 120.0° |
| C17 | C20 | H20 | H20A | 114.5° | 120.0° |
| C17 | C20 | C69 | C70 | 155.3° | 180.0° |
| C17 | C20 | C69 | H69 | 84.7° | 60.0° |
| C17 | C20 | C69 | H69A | 35.3° | 60.1° |
| C17 | C18 | O19 | N29 | 178.0° | 180.0° |
| C18 | C17 | C20 | C69 | 137.4° | 175.0° |
| C18 | C17 | C20 | H20 | 102.6° | 65.0° |
| C18 | C17 | C20 | H20A | 17.3° | 55.0° |
| C17 | C18 | N29 | C30 | 176.9° | 180.0° |
| C17 | C18 | N29 | HN29 | 3.1° | 0.0° |
| H17 | C17 | C18 | O19 | 148.2° | 140.0° |
| H17 | C17 | C18 | N29 | 30.0° | 40.0° |
| H17 | C17 | C20 | C69 | 12.0° | 55.0° |
| H17 | C17 | C20 | H20 | 132.0° | 175.0° |
| H17 | C17 | C20 | H20A | 108.1° | 65.0° |
| O19 | C18 | N29 | C30 | 1.3° | 0.1° |
| O19 | C18 | N29 | HN29 | 178.7° | 180.0° |
| C18 | N29 | C30 | HN29 | 180.0° | 179.9° |
| C18 | N29 | C30 | C31 | 55.5° | 84.9° |
| C18 | N29 | C30 | C38 | 179.3° | 155.0° |
| C18 | N29 | C30 | H30 | 62.7° | 35.1° |
| C69 | C20 | H20 | H20A | 114.5° | 120.0° |
| C20 | C69 | C70 | H69 | 120.0° | 120.0° |
| C20 | C69 | C70 | H69A | 120.0° | 120.0° |
| C20 | C69 | H69 | H69A | 111.0° | 120.0° |
| C20 | C69 | C70 | C71 | 0.2° | 180.0° |
| C20 | C69 | C70 | H70 | 120.2° | 60.0° |
| C20 | C69 | C70 | H70A | 119.8° | 60.0° |
| H20 | C20 | C69 | C70 | 35.3° | 60.0° |
| H20 | C20 | C69 | H69 | 155.3° | 180.0° |
| H20 | C20 | C69 | H69A | 84.7° | 60.0° |
| H20A | C20 | C69 | C70 | 84.7° | 60.0° |
| H20A | C20 | C69 | H69 | 35.3° | 60.0° |
| H20A | C20 | C69 | H69A | 155.3° | 180.0° |
| C23 | C22 | C68 | H22 | 120.0° | 120.0° |
| C23 | C22 | C68 | H22A | 120.0° | 120.1° |
| C23 | C22 | H22 | H22A | 112.2° | 120.0° |
| C22 | C23 | C25 | C24 | 179.1° | 179.8° |
| C22 | C23 | C24 | C26 | 179.7° | 179.9° |
| C22 | C23 | C24 | H24 | 0.3° | 0.0° |
| C22 | C23 | C25 | C27 | 179.9° | 180.0° |
| C22 | C23 | C25 | H25 | 0.2° | 0.1° |
| C23 | C22 | C68 | O73 | 83.2° | 0.0° |
| C23 | C22 | C68 | N72 | 97.1° | 179.9° |
| C68 | C22 | H22 | H22A | 112.2° | 120.0° |
| C68 | C22 | C23 | C25 | 118.2° | 90.2° |
| C68 | C22 | C23 | C24 | 62.7° | 90.0° |
| C22 | C68 | O73 | N72 | 179.7° | 179.9° |
| C22 | C68 | N72 | C71 | 179.7° | 180.0° |
| C22 | C68 | N72 | HN72 | 0.3° | 0.0° |
| H22 | C22 | C23 | C25 | 121.8° | 29.8° |
| H22 | C22 | C23 | C24 | 57.2° | 150.0° |
| H22 | C22 | C68 | O73 | 156.9° | 120.0° |
| H22 | C22 | C68 | N72 | 22.9° | 60.0° |
| H22A | C22 | C23 | C25 | 1.8° | 149.7° |
| H22A | C22 | C23 | C24 | 177.2° | 30.1° |
| H22A | C22 | C68 | O73 | 36.9° | 120.1° |
| H22A | C22 | C68 | N72 | 142.9° | 60.0° |
| C25 | C23 | C24 | C26 | 1.2° | 0.3° |
| C25 | C23 | C24 | H24 | 178.8° | 179.8° |
| C23 | C25 | C27 | H25 | 180.0° | 180.0° |
| C23 | C25 | C27 | C28 | 0.6° | 0.1° |
| C23 | C25 | C27 | H27 | 179.4° | 180.0° |
| C23 | C24 | C26 | H24 | 180.0° | 179.9° |
| C24 | C23 | C25 | C27 | 1.0° | 0.2° |
| C24 | C23 | C25 | H25 | 178.9° | 179.7° |
| C23 | C24 | C26 | C28 | 1.0° | 0.0° |
| C23 | C24 | C26 | H26 | 179.0° | 179.9° |
| C24 | C26 | C28 | H26 | 180.0° | 179.9° |
| C24 | C26 | C28 | C27 | 0.4° | 0.3° |
| C24 | C26 | C28 | C62 | 178.5° | 180.0° |
| H24 | C24 | C26 | C28 | 179.0° | 179.9° |
| H24 | C24 | C26 | H26 | 1.0° | 0.0° |
| C25 | C27 | C28 | C26 | 0.3° | 0.3° |
| C25 | C27 | C28 | H27 | 180.0° | 180.0° |
| C25 | C27 | C28 | C62 | 178.3° | 180.0° |
| H25 | C25 | C27 | C28 | 179.4° | 180.0° |
| H25 | C25 | C27 | H27 | 0.7° | 0.0° |
| C26 | C28 | C27 | C62 | 178.0° | 179.7° |
| C26 | C28 | C27 | H27 | 179.7° | 179.7° |
| C26 | C28 | C62 | C64 | 179.7° | 0.3° |
| C26 | C28 | C62 | C63 | 0.6° | 180.0° |
| H26 | C26 | C28 | C27 | 179.5° | 179.8° |
| H26 | C26 | C28 | C62 | 1.4° | 0.0° |
| C27 | C28 | C62 | C64 | 2.4° | 180.0° |
| C27 | C28 | C62 | C63 | 178.6° | 0.3° |
| H27 | C27 | C28 | C62 | 1.7° | 0.0° |
| C28 | C62 | C64 | C63 | 179.1° | 179.7° |
| C28 | C62 | C63 | C65 | 179.7° | 180.0° |
| C28 | C62 | C63 | H63 | 0.3° | 0.1° |
| C28 | C62 | C64 | C66 | 179.3° | 180.0° |
| C28 | C62 | C64 | H64 | 0.7° | 0.1° |
| N29 | C30 | C31 | C38 | 130.2° | 120.1° |
| N29 | C30 | C31 | H30 | 109.8° | 119.9° |
| N29 | C30 | C38 | H30 | 109.8° | 119.9° |
| N29 | C30 | C31 | C32 | 45.2° | 65.0° |
| N29 | C30 | C31 | H31 | 74.8° | 175.0° |
| N29 | C30 | C31 | H31A | 165.3° | 55.1° |
| N29 | C30 | C38 | N40 | 20.9° | 180.0° |
| N29 | C30 | C38 | O39 | 158.0° | 0.1° |
| HN29 | N29 | C30 | C31 | 124.5° | 95.0° |
| HN29 | N29 | C30 | C38 | 0.7° | 25.1° |
| HN29 | N29 | C30 | H30 | 117.3° | 145.0° |
| C31 | C30 | C38 | H30 | 120.1° | 120.0° |
| C30 | C31 | C32 | H31 | 120.0° | 120.1° |
| C30 | C31 | C32 | H31A | 120.0° | 120.0° |
| C30 | C31 | H31 | H31A | 113.9° | 120.0° |
| C30 | C31 | C32 | C33 | 108.6° | 180.0° |
| C30 | C31 | C32 | H32 | 11.4° | 59.9° |
| C30 | C31 | C32 | H32A | 131.4° | 60.0° |
| C31 | C30 | C38 | N40 | 109.2° | 59.9° |
| C31 | C30 | C38 | O39 | 71.9° | 120.0° |
| C38 | C30 | C31 | C32 | 84.9° | 175.0° |
| C38 | C30 | C31 | H31 | 155.0° | 54.9° |
| C38 | C30 | C31 | H31A | 35.1° | 65.0° |
| C30 | C38 | N40 | O39 | 178.8° | 179.9° |
| C30 | C38 | N40 | C41 | 178.4° | 180.0° |
| C30 | C38 | N40 | HN40 | 1.6° | 0.0° |
| H30 | C30 | C31 | C32 | 155.1° | 55.0° |
| H30 | C30 | C31 | H31 | 35.0° | 65.1° |
| H30 | C30 | C31 | H31A | 84.9° | 175.0° |
| H30 | C30 | C38 | N40 | 130.7° | 60.0° |
| H30 | C30 | C38 | O39 | 48.2° | 120.0° |
| C32 | C31 | H31 | H31A | 113.9° | 119.9° |
| C31 | C32 | C33 | H32 | 120.0° | 120.1° |
| C31 | C32 | C33 | H32A | 120.0° | 120.0° |
| C31 | C32 | H32 | H32A | 118.8° | 119.9° |
| C31 | C32 | C33 | N34 | 179.8° | 180.0° |
| C31 | C32 | C33 | H33 | 59.8° | 60.0° |
| C31 | C32 | C33 | H33A | 60.1° | 60.0° |
| H31 | C31 | C32 | C33 | 131.4° | 59.9° |
| H31 | C31 | C32 | H32 | 108.6° | 180.0° |
| H31 | C31 | C32 | H32A | 11.4° | 60.1° |
| H31A | C31 | C32 | C33 | 11.4° | 60.0° |
| H31A | C31 | C32 | H32 | 131.4° | 60.1° |
| H31A | C31 | C32 | H32A | 108.6° | 180.0° |
| C33 | C32 | H32 | H32A | 118.8° | 120.0° |
| C32 | C33 | N34 | H33 | 120.0° | 120.0° |
| C32 | C33 | N34 | H33A | 120.0° | 120.0° |
| C32 | C33 | H33 | H33A | 115.2° | 120.0° |
| C32 | C33 | N34 | C35 | 118.8° | 180.0° |
| C32 | C33 | N34 | HN34 | 61.2° | 0.0° |
| H32 | C32 | C33 | N34 | 60.2° | 60.0° |
| H32 | C32 | C33 | H33 | 179.8° | 179.9° |
| H32 | C32 | C33 | H33A | 59.9° | 60.0° |
| H32A | C32 | C33 | N34 | 59.8° | 60.0° |
| H32A | C32 | C33 | H33 | 60.2° | 60.0° |
| H32A | C32 | C33 | H33A | 179.9° | 180.0° |
| N34 | C33 | H33 | H33A | 115.2° | 119.9° |
| C33 | N34 | C35 | HN34 | 180.0° | 179.9° |
| C33 | N34 | C35 | N37 | 133.6° | 180.0° |
| C33 | N34 | C35 | N36 | 45.7° | 0.1° |
| H33 | C33 | N34 | C35 | 121.2° | 60.0° |
| H33 | C33 | N34 | HN34 | 58.8° | 120.1° |
| H33A | C33 | N34 | C35 | 1.2° | 60.0° |
| H33A | C33 | N34 | HN34 | 178.8° | 120.0° |
| N34 | C35 | N37 | N36 | 179.3° | 179.9° |
| N34 | C35 | N36 | HN36 | 179.3° | 0.1° |
| N34 | C35 | N36 | HN3A | 0.7° | 180.0° |
| N34 | C35 | N37 | HN37 | 179.3° | 180.0° |
| HN34 | N34 | C35 | N37 | 46.4° | 0.1° |
| HN34 | N34 | C35 | N36 | 134.3° | 180.0° |
| N37 | C35 | N36 | HN36 | 0.0° | 180.0° |
| N37 | C35 | N36 | HN3A | 180.0° | 0.1° |
| C35 | N36 | HN36 | HN3A | 180.0° | 179.9° |
| N36 | C35 | N37 | HN37 | 0.0° | 0.1° |
| C38 | N40 | C41 | HN40 | 180.0° | 179.9° |
| C38 | N40 | C41 | C42 | 77.8° | 155.0° |
| C38 | N40 | C41 | C44 | 163.7° | 85.0° |
| C38 | N40 | C41 | H41 | 45.4° | 35.0° |
| O39 | C38 | N40 | C41 | 0.4° | 0.0° |
| O39 | C38 | N40 | HN40 | 179.6° | 179.9° |
| N40 | C41 | C42 | C44 | 123.3° | 120.1° |
| N40 | C41 | C42 | H41 | 118.4° | 120.0° |
| N40 | C41 | C44 | H41 | 118.5° | 120.0° |
| N40 | C41 | C42 | O43 | 57.5° | 0.0° |
| N40 | C41 | C42 | N60 | 125.4° | 180.0° |
| N40 | C41 | C44 | C45 | 179.7° | 65.0° |
| N40 | C41 | C44 | H44 | 60.3° | 55.0° |
| N40 | C41 | C44 | H44A | 59.7° | 175.0° |
| HN40 | N40 | C41 | C42 | 102.2° | 25.0° |
| HN40 | N40 | C41 | C44 | 16.3° | 95.0° |
| HN40 | N40 | C41 | H41 | 134.6° | 145.1° |
| C42 | C41 | C44 | H41 | 123.2° | 119.9° |
| C41 | C42 | O43 | N60 | 176.7° | 180.0° |
| C42 | C41 | C44 | C45 | 61.4° | 175.0° |
| C42 | C41 | C44 | H44 | 178.6° | 65.0° |
| C42 | C41 | C44 | H44A | 58.6° | 54.9° |
| C41 | C42 | N60 | C59 | 176.6° | 180.0° |
| C41 | C42 | N60 | HN60 | 3.5° | 0.0° |
| C44 | C41 | C42 | O43 | 65.8° | 120.1° |
| C44 | C41 | C42 | N60 | 111.3° | 60.0° |
| C41 | C44 | C45 | H44 | 120.0° | 120.0° |
| C41 | C44 | C45 | H44A | 120.0° | 120.1° |
| C41 | C44 | H44 | H44A | 120.8° | 120.0° |
| C41 | C44 | C45 | C47 | 100.1° | 90.3° |
| C41 | C44 | C45 | C46 | 79.6° | 89.9° |
| H41 | C41 | C42 | O43 | 175.9° | 120.0° |
| H41 | C41 | C42 | N60 | 7.0° | 59.9° |
| H41 | C41 | C44 | C45 | 61.8° | 55.1° |
| H41 | C41 | C44 | H44 | 58.2° | 175.0° |
| H41 | C41 | C44 | H44A | 178.2° | 65.0° |
| O43 | C42 | N60 | C59 | 0.4° | 0.0° |
| O43 | C42 | N60 | HN60 | 179.6° | 179.9° |
| C42 | N60 | C59 | C58 | 94.9° | 180.0° |
| C42 | N60 | C59 | HN60 | 180.0° | 180.0° |
| C42 | N60 | C59 | H59 | 25.1° | 60.0° |
| C42 | N60 | C59 | H59A | 145.1° | 60.0° |
| C45 | C44 | H44 | H44A | 120.8° | 120.0° |
| C44 | C45 | C47 | C46 | 179.8° | 179.8° |
| C44 | C45 | C46 | C48 | 179.4° | 180.0° |
| C44 | C45 | C46 | H46 | 0.7° | 0.0° |
| C44 | C45 | C47 | C49 | 179.4° | 179.9° |
| C44 | C45 | C47 | H47 | 0.6° | 0.0° |
| H44 | C44 | C45 | C47 | 139.9° | 149.7° |
| H44 | C44 | C45 | C46 | 40.4° | 30.0° |
| H44A | C44 | C45 | C47 | 19.9° | 29.8° |
| H44A | C44 | C45 | C46 | 160.4° | 150.0° |
| C47 | C45 | C46 | C48 | 0.4° | 0.3° |
| C47 | C45 | C46 | H46 | 179.6° | 179.7° |
| C45 | C47 | C49 | H47 | 180.0° | 180.0° |
| C45 | C47 | C49 | C50 | 0.0° | 0.1° |
| C45 | C47 | C49 | H49 | 180.0° | 180.0° |
| C45 | C46 | C48 | H46 | 180.0° | 180.0° |
| C46 | C45 | C47 | C49 | 0.4° | 0.3° |
| C46 | C45 | C47 | H47 | 179.6° | 179.8° |
| C45 | C46 | C48 | C50 | 0.1° | 0.0° |
| C45 | C46 | C48 | H48 | 179.9° | 180.0° |
| C46 | C48 | C50 | H48 | 180.0° | 180.0° |
| C46 | C48 | C50 | C49 | 0.3° | 0.3° |
| C46 | C48 | C50 | H50 | 179.7° | 180.0° |
| H46 | C46 | C48 | C50 | 179.9° | 180.0° |
| H46 | C46 | C48 | H48 | 0.1° | 0.0° |
| C47 | C49 | C50 | C48 | 0.3° | 0.2° |
| C47 | C49 | C50 | H49 | 180.0° | 179.9° |
| C47 | C49 | C50 | H50 | 179.7° | 179.9° |
| H47 | C47 | C49 | C50 | 180.0° | 180.0° |
| H47 | C47 | C49 | H49 | 0.0° | 0.1° |
| C48 | C50 | C49 | H50 | 180.0° | 179.7° |
| C48 | C50 | C49 | H49 | 179.7° | 179.7° |
| H48 | C48 | C50 | C49 | 179.7° | 179.7° |
| H48 | C48 | C50 | H50 | 0.3° | 0.0° |
| H49 | C49 | C50 | H50 | 0.4° | 0.0° |
| C57 | C52 | C58 | C53 | 179.7° | 179.7° |
| C57 | C52 | C53 | C54 | 0.1° | 0.0° |
| C57 | C52 | C53 | H53 | 180.0° | 180.0° |
| C52 | C57 | C56 | C55 | 0.0° | 0.0° |
| C52 | C57 | C56 | H57 | 180.0° | 179.9° |
| C52 | C57 | C56 | H56 | 180.0° | 180.0° |
| C57 | C52 | C58 | C59 | 127.0° | 90.3° |
| C57 | C52 | C58 | H58 | 7.0° | 29.7° |
| C57 | C52 | C58 | H58A | 113.0° | 149.8° |
| C58 | C52 | C53 | C54 | 179.6° | 179.7° |
| C58 | C52 | C53 | H53 | 0.4° | 0.3° |
| C58 | C52 | C57 | C56 | 179.7° | 179.7° |
| C58 | C52 | C57 | H57 | 0.3° | 0.3° |
| C52 | C58 | C59 | H58 | 120.0° | 120.0° |
| C52 | C58 | C59 | H58A | 120.0° | 120.0° |
| C52 | C58 | H58 | H58A | 114.2° | 120.1° |
| C52 | C58 | C59 | N60 | 71.0° | 180.0° |
| C52 | C58 | C59 | H59 | 169.0° | 60.0° |
| C52 | C58 | C59 | H59A | 48.9° | 60.0° |
| C52 | C53 | C54 | H53 | 180.0° | 179.9° |
| C52 | C53 | C54 | C55 | 0.1° | 0.1° |
| C52 | C53 | C54 | H54 | 180.0° | 180.0° |
| C53 | C52 | C57 | C56 | 0.0° | 0.0° |
| C53 | C52 | C57 | H57 | 180.0° | 180.0° |
| C53 | C52 | C58 | C59 | 52.7° | 90.0° |
| C53 | C52 | C58 | H58 | 172.7° | 150.0° |
| C53 | C52 | C58 | H58A | 67.3° | 29.9° |
| C53 | C54 | C55 | H54 | 180.0° | 179.9° |
| C53 | C54 | C55 | C56 | 0.1° | 0.1° |
| C53 | C54 | C55 | H55 | 180.0° | 180.0° |
| H53 | C53 | C54 | C55 | 179.9° | 180.0° |
| H53 | C53 | C54 | H54 | 0.0° | 0.1° |
| C54 | C55 | C56 | H55 | 180.0° | 179.9° |
| C54 | C55 | C56 | C57 | 0.0° | 0.0° |
| C54 | C55 | C56 | H56 | 180.0° | 179.9° |
| H54 | C54 | C55 | C56 | 180.0° | 180.0° |
| H54 | C54 | C55 | H55 | 0.0° | 0.2° |
| C55 | C56 | C57 | H56 | 180.0° | 179.9° |
| C55 | C56 | C57 | H57 | 180.0° | 180.0° |
| H55 | C55 | C56 | C57 | 180.0° | 179.9° |
| H55 | C55 | C56 | H56 | 0.0° | 0.0° |
| H56 | C56 | C57 | H57 | 0.0° | 0.1° |
| C59 | C58 | H58 | H58A | 114.2° | 119.9° |
| C58 | C59 | N60 | H59 | 120.0° | 120.0° |
| C58 | C59 | N60 | H59A | 120.0° | 120.1° |
| C58 | C59 | H59 | H59A | 119.8° | 120.0° |
| C58 | C59 | N60 | HN60 | 85.1° | 0.0° |
| H58 | C58 | C59 | N60 | 48.9° | 60.0° |
| H58 | C58 | C59 | H59 | 71.0° | 179.9° |
| H58 | C58 | C59 | H59A | 168.9° | 60.1° |
| H58A | C58 | C59 | N60 | 169.0° | 60.0° |
| H58A | C58 | C59 | H59 | 49.0° | 60.0° |
| H58A | C58 | C59 | H59A | 71.0° | 180.0° |
| N60 | C59 | H59 | H59A | 119.7° | 120.0° |
| H59 | C59 | N60 | HN60 | 154.9° | 120.0° |
| H59A | C59 | N60 | HN60 | 34.9° | 120.1° |
| C64 | C62 | C63 | C65 | 0.6° | 0.3° |
| C64 | C62 | C63 | H63 | 179.4° | 179.7° |
| C62 | C64 | C66 | H64 | 180.0° | 179.9° |
| C62 | C64 | C66 | C67 | 0.2° | 0.0° |
| C62 | C64 | C66 | H66 | 179.9° | 180.0° |
| C62 | C63 | C65 | H63 | 180.0° | 180.0° |
| C63 | C62 | C64 | C66 | 0.2° | 0.3° |
| C63 | C62 | C64 | H64 | 179.8° | 179.7° |
| C62 | C63 | C65 | C67 | 1.0° | 0.0° |
| C62 | C63 | C65 | H65 | 179.0° | 179.9° |
| C63 | C65 | C67 | H65 | 180.0° | 179.9° |
| C63 | C65 | C67 | C66 | 1.0° | 0.3° |
| C63 | C65 | C67 | H67 | 179.0° | 180.0° |
| H63 | C63 | C65 | C67 | 179.0° | 180.0° |
| H63 | C63 | C65 | H65 | 1.0° | 0.0° |
| C64 | C66 | C67 | C65 | 0.6° | 0.3° |
| C64 | C66 | C67 | H66 | 180.0° | 180.0° |
| C64 | C66 | C67 | H67 | 179.5° | 180.0° |
| H64 | C64 | C66 | C67 | 179.8° | 180.0° |
| H64 | C64 | C66 | H66 | 0.2° | 0.0° |
| C65 | C67 | C66 | H67 | 180.0° | 179.7° |
| C65 | C67 | C66 | H66 | 179.5° | 179.7° |
| H65 | C65 | C67 | C66 | 179.0° | 179.8° |
| H65 | C65 | C67 | H67 | 1.0° | 0.1° |
| H66 | C66 | C67 | H67 | 0.5° | 0.0° |
| O73 | C68 | N72 | C71 | 0.0° | 0.1° |
| O73 | C68 | N72 | HN72 | 180.0° | 179.9° |
| C68 | N72 | C71 | C70 | 154.8° | 180.0° |
| C68 | N72 | C71 | HN72 | 180.0° | 180.0° |
| C68 | N72 | C71 | H71 | 85.2° | 60.0° |
| C68 | N72 | C71 | H71A | 34.8° | 60.0° |
| C70 | C69 | H69 | H69A | 111.0° | 120.0° |
| C69 | C70 | C71 | H70 | 120.0° | 120.0° |
| C69 | C70 | C71 | H70A | 120.0° | 120.0° |
| C69 | C70 | H70 | H70A | 113.1° | 120.1° |
| C69 | C70 | C71 | N72 | 179.4° | 180.0° |
| C69 | C70 | C71 | H71 | 60.6° | 60.0° |
| C69 | C70 | C71 | H71A | 59.4° | 60.0° |
| H69 | C69 | C70 | C71 | 119.8° | 60.0° |
| H69 | C69 | C70 | H70 | 0.2° | 180.0° |
| H69 | C69 | C70 | H70A | 120.2° | 60.0° |
| C71 | C70 | H70 | H70A | 113.1° | 119.9° |
| C70 | C71 | N72 | H71 | 120.0° | 120.0° |
| C70 | C71 | N72 | H71A | 120.0° | 120.0° |
| C70 | C71 | H71 | H71A | 116.0° | 120.0° |
| C70 | C71 | N72 | HN72 | 25.2° | 0.0° |
| C71 | C70 | C69 | H69A | 120.2° | 60.0° |
| H70 | C70 | C71 | N72 | 59.4° | 60.0° |
| H70 | C70 | C71 | H71 | 179.4° | 179.9° |
| H70 | C70 | C71 | H71A | 60.6° | 60.0° |
| H70 | C70 | C69 | H69A | 119.8° | 60.0° |
| N72 | C71 | H71 | H71A | 116.0° | 120.0° |
| N72 | C71 | C70 | H70A | 60.6° | 60.0° |
| H71 | C71 | N72 | HN72 | 94.8° | 120.0° |
| H71 | C71 | C70 | H70A | 59.4° | 60.0° |
| H71A | C71 | N72 | HN72 | 145.2° | 120.0° |
| H71A | C71 | C70 | H70A | 179.4° | 180.0° |
| H69A | C69 | C70 | H70A | 0.3° | 180.0° |
