NSX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.38Å | |
| C1 | C7 | sing | 1.51Å | 1.51Å | |
| C2 | O3 | doub | 1.21Å | 1.21Å | |
| C2 | N16 | sing | 1.35Å | 1.47Å | |
| C4 | C5 | doub | 1.39Å | 1.59Å | Aromatic |
| C4 | C9 | sing | 1.39Å | 1.51Å | Aromatic |
| C4 | C12 | sing | 1.48Å | 1.48Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.45Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.53Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.59Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.50Å | Aromatic |
| C10 | C13 | doub | 1.38Å | 1.54Å | Aromatic |
| C10 | C15 | sing | 1.38Å | 1.54Å | Aromatic |
| C11 | C12 | doub | 1.39Å | 1.55Å | Aromatic |
| C11 | C13 | sing | 1.38Å | 1.53Å | Aromatic |
| C12 | C14 | sing | 1.39Å | 1.63Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.48Å | Aromatic |
| N16 | C17 | sing | 1.47Å | 1.39Å | |
| C17 | C18 | sing | 1.51Å | 1.49Å | |
| C17 | C20 | sing | 1.53Å | 1.47Å | |
| C18 | O19 | doub | 1.21Å | 1.32Å | |
| C18 | N29 | sing | 1.35Å | 1.48Å | |
| C20 | C69 | sing | 1.53Å | 1.54Å | |
| C22 | C23 | sing | 1.51Å | 1.34Å | |
| C22 | C68 | sing | 1.51Å | 1.40Å | |
| C23 | C24 | doub | 1.38Å | 1.51Å | Aromatic |
| C23 | C25 | sing | 1.38Å | 1.53Å | Aromatic |
| C24 | C26 | sing | 1.38Å | 1.48Å | Aromatic |
| C25 | C27 | doub | 1.38Å | 1.51Å | Aromatic |
| C26 | C28 | doub | 1.39Å | 1.49Å | Aromatic |
| C27 | C28 | sing | 1.39Å | 1.59Å | Aromatic |
| C28 | C62 | sing | 1.48Å | 1.44Å | Aromatic |
| N29 | C30 | sing | 1.47Å | 1.42Å | |
| C30 | C31 | sing | 1.53Å | 1.66Å | |
| C30 | C38 | sing | 1.51Å | 1.44Å | |
| C31 | C32 | sing | 1.53Å | 1.60Å | |
| C32 | C33 | sing | 1.53Å | 1.55Å | |
| C33 | N34 | sing | 1.46Å | 1.48Å | |
| N34 | C35 | sing | 1.37Å | 1.48Å | |
| C35 | N36 | doub | 1.30Å | 1.38Å | |
| C35 | N37 | sing | 1.38Å | 1.38Å | |
| C38 | O39 | doub | 1.21Å | 1.27Å | |
| C38 | N40 | sing | 1.35Å | 1.33Å | |
| N40 | C41 | sing | 1.46Å | 1.43Å | |
| C41 | C42 | sing | 1.51Å | 1.57Å | |
| C41 | C44 | sing | 1.53Å | 1.56Å | |
| C42 | O43 | doub | 1.21Å | 1.22Å | |
| C42 | N60 | sing | 1.35Å | 1.48Å | |
| C44 | C45 | sing | 1.51Å | 1.58Å | |
| C45 | C46 | doub | 1.38Å | 1.52Å | Aromatic |
| C45 | C47 | sing | 1.38Å | 1.61Å | Aromatic |
| C46 | C48 | sing | 1.38Å | 1.51Å | Aromatic |
| C47 | C49 | doub | 1.38Å | 1.48Å | Aromatic |
| C48 | C50 | doub | 1.39Å | 1.55Å | Aromatic |
| C49 | C50 | sing | 1.39Å | 1.50Å | Aromatic |
| C50 | O51 | sing | 1.36Å | 1.31Å | |
| C52 | C53 | doub | 1.38Å | 1.63Å | Aromatic |
| C52 | C57 | sing | 1.38Å | 1.51Å | Aromatic |
| C52 | C58 | sing | 1.51Å | 1.43Å | |
| C53 | C54 | sing | 1.38Å | 1.54Å | Aromatic |
| C54 | C55 | doub | 1.38Å | 1.51Å | Aromatic |
| C55 | C56 | sing | 1.38Å | 1.51Å | Aromatic |
| C56 | C57 | doub | 1.38Å | 1.51Å | Aromatic |
| C58 | C59 | sing | 1.53Å | 1.46Å | |
| C59 | N60 | sing | 1.46Å | 1.54Å | |
| C62 | C63 | doub | 1.39Å | 1.57Å | Aromatic |
| C62 | C64 | sing | 1.39Å | 1.54Å | Aromatic |
| C63 | C65 | sing | 1.38Å | 1.53Å | Aromatic |
| C64 | C66 | doub | 1.38Å | 1.49Å | Aromatic |
| C65 | C67 | doub | 1.38Å | 1.49Å | Aromatic |
| C66 | C67 | sing | 1.38Å | 1.49Å | Aromatic |
| C68 | N72 | sing | 1.35Å | 1.29Å | |
| C68 | O73 | doub | 1.21Å | 1.11Å | |
| C69 | C70 | sing | 1.53Å | 1.29Å | |
| C70 | C71 | sing | 1.53Å | 1.54Å | |
| C71 | N72 | sing | 1.47Å | 1.56Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| N16 | HN16 | sing | 0.97Å | 1.00Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| N29 | HN29 | sing | 0.97Å | 1.00Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å | |
| N34 | HN34 | sing | 0.97Å | 1.00Å | |
| N36 | HN36 | sing | 0.97Å | 1.00Å | |
| N37 | HN37 | sing | 0.97Å | 1.00Å | |
| N37 | HN3A | sing | 0.97Å | 1.00Å | |
| N40 | HN40 | sing | 0.97Å | 1.00Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| C44 | H44 | sing | 1.09Å | 1.10Å | |
| C44 | H44A | sing | 1.09Å | 1.10Å | |
| C46 | H46 | sing | 1.08Å | 1.08Å | |
| C47 | H47 | sing | 1.08Å | 1.08Å | |
| C48 | H48 | sing | 1.08Å | 1.08Å | |
| C49 | H49 | sing | 1.08Å | 1.08Å | |
| O51 | HO51 | sing | 0.97Å | 0.95Å | |
| 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 | |
| C57 | H57 | sing | 1.08Å | 1.08Å | |
| C58 | H58 | sing | 1.09Å | 1.10Å | |
| C58 | H58A | sing | 1.09Å | 1.10Å | |
| C59 | H59 | sing | 1.09Å | 1.10Å | |
| C59 | H59A | sing | 1.09Å | 1.10Å | |
| N60 | HN60 | sing | 0.97Å | 1.00Å | |
| C63 | H63 | sing | 1.08Å | 1.08Å | |
| C64 | H64 | sing | 1.08Å | 1.08Å | |
| C65 | H65 | sing | 1.08Å | 1.08Å | |
| C66 | H66 | sing | 1.08Å | 1.08Å | |
| C67 | H67 | sing | 1.08Å | 1.08Å | |
| C69 | H69 | sing | 1.09Å | 1.10Å | |
| C70 | H70 | sing | 1.09Å | 1.10Å | |
| 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 | 100.7° | 109.5° |
| C1 | C2 | O3 | 120.7° | 120.0° |
| C1 | C2 | N16 | 113.9° | 120.0° |
| C2 | C1 | H1 | 112.5° | 109.5° |
| C2 | C1 | H1A | 112.5° | 109.5° |
| C1 | C7 | C6 | 114.8° | 119.8° |
| C1 | C7 | C8 | 123.3° | 119.9° |
| C7 | C1 | H1 | 112.5° | 109.5° |
| C7 | C1 | H1A | 112.5° | 109.5° |
| O3 | C2 | N16 | 125.4° | 120.1° |
| C2 | N16 | C17 | 128.0° | 119.9° |
| C2 | N16 | HN16 | 116.0° | 120.0° |
| C5 | C4 | C9 | 118.4° | 119.8° |
| C5 | C4 | C12 | 118.0° | 120.1° |
| C4 | C5 | C6 | 120.6° | 119.9° |
| C4 | C5 | H5 | 119.7° | 120.1° |
| C9 | C4 | C12 | 123.5° | 120.2° |
| C4 | C9 | C8 | 123.4° | 119.9° |
| C4 | C9 | H9 | 118.3° | 120.0° |
| C4 | C12 | C11 | 124.2° | 120.1° |
| C4 | C12 | C14 | 114.6° | 120.2° |
| C5 | C6 | C7 | 119.9° | 120.1° |
| C6 | C5 | H5 | 119.7° | 120.1° |
| C5 | C6 | H6 | 120.1° | 119.9° |
| C6 | C7 | C8 | 121.9° | 120.3° |
| C7 | C6 | H6 | 120.0° | 120.0° |
| C7 | C8 | C9 | 115.8° | 120.1° |
| C7 | C8 | H8 | 122.1° | 120.0° |
| C9 | C8 | H8 | 122.1° | 119.9° |
| C8 | C9 | H9 | 118.3° | 120.1° |
| C13 | C10 | C15 | 119.4° | 120.2° |
| C10 | C13 | C11 | 124.9° | 120.1° |
| C13 | C10 | H10 | 120.3° | 119.9° |
| C10 | C13 | H13 | 117.6° | 120.0° |
| C10 | C15 | C14 | 120.0° | 120.2° |
| C15 | C10 | H10 | 120.3° | 119.9° |
| C10 | C15 | H15 | 120.0° | 119.9° |
| C12 | C11 | C13 | 114.8° | 119.9° |
| C11 | C12 | C14 | 121.2° | 119.7° |
| C12 | C11 | H11 | 122.6° | 120.0° |
| C13 | C11 | H11 | 122.6° | 120.1° |
| C11 | C13 | H13 | 117.6° | 119.9° |
| C12 | C14 | C15 | 119.8° | 119.8° |
| C12 | C14 | H14 | 120.1° | 120.1° |
| C15 | C14 | H14 | 120.1° | 120.1° |
| C14 | C15 | H15 | 120.0° | 119.9° |
| N16 | C17 | C18 | 95.5° | 109.5° |
| N16 | C17 | C20 | 108.3° | 109.5° |
| C17 | N16 | HN16 | 116.0° | 120.0° |
| N16 | C17 | H17 | 118.9° | 109.4° |
| C18 | C17 | C20 | 110.3° | 109.5° |
| C17 | C18 | O19 | 123.3° | 120.0° |
| C17 | C18 | N29 | 111.9° | 120.0° |
| C18 | C17 | H17 | 117.2° | 109.5° |
| C17 | C20 | C69 | 127.6° | 109.5° |
| C20 | C17 | H17 | 106.2° | 109.4° |
| C17 | C20 | H20 | 103.8° | 109.4° |
| C17 | C20 | H20A | 103.8° | 109.5° |
| O19 | C18 | N29 | 124.8° | 120.0° |
| C18 | N29 | C30 | 123.0° | 120.0° |
| C18 | N29 | HN29 | 118.5° | 120.0° |
| C20 | C69 | C70 | 129.2° | 109.5° |
| C69 | C20 | H20 | 103.8° | 109.5° |
| C69 | C20 | H20A | 103.9° | 109.5° |
| C20 | C69 | H69 | 103.4° | 109.5° |
| C20 | C69 | H69A | 103.4° | 109.5° |
| C23 | C22 | C68 | 127.0° | 109.4° |
| C22 | C23 | C24 | 122.0° | 119.9° |
| C22 | C23 | C25 | 120.8° | 119.9° |
| C23 | C22 | H22 | 104.0° | 109.5° |
| C23 | C22 | H22A | 104.0° | 109.5° |
| C22 | C68 | N72 | 123.2° | 120.0° |
| C22 | C68 | O73 | 109.6° | 120.0° |
| C68 | C22 | H22 | 104.0° | 109.5° |
| C68 | C22 | H22A | 104.0° | 109.5° |
| C24 | C23 | C25 | 117.2° | 120.3° |
| C23 | C24 | C26 | 124.5° | 120.1° |
| C23 | C24 | H24 | 117.7° | 119.9° |
| C23 | C25 | C27 | 119.5° | 120.1° |
| C23 | C25 | H25 | 120.3° | 120.0° |
| C24 | C26 | C28 | 120.5° | 119.9° |
| C26 | C24 | H24 | 117.8° | 120.0° |
| C24 | C26 | H26 | 119.8° | 120.0° |
| C25 | C27 | C28 | 121.3° | 119.9° |
| C27 | C25 | H25 | 120.2° | 119.9° |
| C25 | C27 | H27 | 119.3° | 120.1° |
| C26 | C28 | C27 | 116.8° | 119.8° |
| C26 | C28 | C62 | 119.0° | 120.1° |
| C28 | C26 | H26 | 119.8° | 120.1° |
| C27 | C28 | C62 | 124.1° | 120.1° |
| C28 | C27 | H27 | 119.3° | 120.1° |
| C28 | C62 | C63 | 120.6° | 120.1° |
| C28 | C62 | C64 | 123.8° | 120.2° |
| N29 | C30 | C31 | 111.8° | 109.5° |
| N29 | C30 | C38 | 114.1° | 109.5° |
| C30 | N29 | HN29 | 118.5° | 119.9° |
| N29 | C30 | H30 | 102.7° | 109.5° |
| C31 | C30 | C38 | 102.6° | 109.5° |
| C30 | C31 | C32 | 122.3° | 109.5° |
| C31 | C30 | H30 | 114.2° | 109.4° |
| C30 | C31 | H31 | 105.4° | 109.5° |
| C30 | C31 | H31A | 105.4° | 109.5° |
| C30 | C38 | O39 | 118.6° | 120.0° |
| C30 | C38 | N40 | 115.1° | 120.0° |
| C38 | C30 | H30 | 111.9° | 109.5° |
| C31 | C32 | C33 | 114.8° | 109.5° |
| C32 | C31 | H31 | 105.4° | 109.5° |
| C32 | C31 | H31A | 105.4° | 109.4° |
| C31 | C32 | H32 | 107.7° | 109.5° |
| C31 | C32 | H32A | 107.7° | 109.5° |
| C32 | C33 | N34 | 120.4° | 109.5° |
| C33 | C32 | H32 | 107.7° | 109.5° |
| C33 | C32 | H32A | 107.7° | 109.5° |
| C32 | C33 | H33 | 106.0° | 109.4° |
| C32 | C33 | H33A | 105.9° | 109.4° |
| C33 | N34 | C35 | 122.5° | 120.0° |
| N34 | C33 | H33 | 106.0° | 109.5° |
| N34 | C33 | H33A | 106.0° | 109.5° |
| C33 | N34 | HN34 | 118.7° | 120.0° |
| N34 | C35 | N36 | 123.4° | 120.0° |
| N34 | C35 | N37 | 123.3° | 120.0° |
| C35 | N34 | HN34 | 118.8° | 120.0° |
| N36 | C35 | N37 | 113.3° | 120.0° |
| C35 | N36 | HN36 | 112.0° | 120.0° |
| C35 | N37 | HN37 | 120.0° | 120.0° |
| C35 | N37 | HN3A | 120.0° | 120.0° |
| O39 | C38 | N40 | 126.4° | 120.0° |
| C38 | N40 | C41 | 124.0° | 120.0° |
| C38 | N40 | HN40 | 118.0° | 120.0° |
| N40 | C41 | C42 | 101.9° | 109.5° |
| N40 | C41 | C44 | 114.9° | 109.5° |
| C41 | N40 | HN40 | 118.0° | 120.0° |
| N40 | C41 | H41 | 110.7° | 109.5° |
| C42 | C41 | C44 | 108.3° | 109.5° |
| C41 | C42 | O43 | 120.9° | 120.0° |
| C41 | C42 | N60 | 114.3° | 120.0° |
| C42 | C41 | H41 | 117.0° | 109.5° |
| C41 | C44 | C45 | 107.0° | 109.5° |
| C44 | C41 | H41 | 104.5° | 109.4° |
| C41 | C44 | H44 | 110.3° | 109.5° |
| C41 | C44 | H44A | 110.3° | 109.5° |
| O43 | C42 | N60 | 124.8° | 120.0° |
| C42 | N60 | C59 | 117.2° | 120.0° |
| C42 | N60 | HN60 | 121.4° | 120.0° |
| C44 | C45 | C46 | 120.0° | 119.9° |
| C44 | C45 | C47 | 120.3° | 119.9° |
| C45 | C44 | H44 | 110.3° | 109.4° |
| C45 | C44 | H44A | 110.3° | 109.4° |
| C46 | C45 | C47 | 119.8° | 120.2° |
| C45 | C46 | C48 | 119.4° | 120.0° |
| C45 | C46 | H46 | 120.3° | 120.0° |
| C45 | C47 | C49 | 119.1° | 120.0° |
| C45 | C47 | H47 | 120.5° | 120.0° |
| C46 | C48 | C50 | 119.8° | 120.0° |
| C48 | C46 | H46 | 120.3° | 120.0° |
| C46 | C48 | H48 | 120.1° | 120.0° |
| C47 | C49 | C50 | 120.2° | 119.9° |
| C49 | C47 | H47 | 120.4° | 119.9° |
| C47 | C49 | H49 | 119.9° | 120.1° |
| C48 | C50 | C49 | 121.7° | 119.9° |
| C48 | C50 | O51 | 119.3° | 120.1° |
| C50 | C48 | H48 | 120.1° | 120.0° |
| C49 | C50 | O51 | 119.0° | 120.0° |
| C50 | C49 | H49 | 119.9° | 120.0° |
| C50 | O51 | HO51 | 109.5° | 114.0° |
| C53 | C52 | C57 | 121.2° | 120.0° |
| C53 | C52 | C58 | 122.8° | 120.0° |
| C52 | C53 | C54 | 116.8° | 120.0° |
| C52 | C53 | H53 | 121.6° | 120.0° |
| C57 | C52 | C58 | 116.0° | 120.0° |
| C52 | C57 | C56 | 118.6° | 120.0° |
| C52 | C57 | H57 | 120.7° | 120.0° |
| C52 | C58 | C59 | 124.1° | 109.4° |
| C52 | C58 | H58 | 104.8° | 109.5° |
| C52 | C58 | H58A | 104.8° | 109.5° |
| C53 | C54 | C55 | 119.8° | 120.0° |
| C54 | C53 | H53 | 121.6° | 119.9° |
| C53 | C54 | H54 | 120.1° | 120.1° |
| C54 | C55 | C56 | 121.9° | 120.0° |
| C55 | C54 | H54 | 120.1° | 119.9° |
| C54 | C55 | H55 | 119.1° | 120.0° |
| C55 | C56 | C57 | 121.8° | 119.9° |
| C56 | C55 | H55 | 119.1° | 119.9° |
| C55 | C56 | H56 | 119.1° | 120.0° |
| C57 | C56 | H56 | 119.1° | 120.0° |
| C56 | C57 | H57 | 120.7° | 120.0° |
| C58 | C59 | N60 | 106.1° | 109.5° |
| C59 | C58 | H58 | 104.9° | 109.5° |
| C59 | C58 | H58A | 104.9° | 109.5° |
| C58 | C59 | H59 | 110.6° | 109.5° |
| C58 | C59 | H59A | 110.6° | 109.5° |
| N60 | C59 | H59 | 110.6° | 109.5° |
| N60 | C59 | H59A | 110.6° | 109.5° |
| C59 | N60 | HN60 | 121.4° | 120.0° |
| C63 | C62 | C64 | 115.5° | 119.7° |
| C62 | C63 | C65 | 121.3° | 119.9° |
| C62 | C63 | H63 | 119.3° | 120.0° |
| C62 | C64 | C66 | 122.0° | 119.9° |
| C62 | C64 | H64 | 119.0° | 120.0° |
| C63 | C65 | C67 | 118.8° | 120.1° |
| C65 | C63 | H63 | 119.3° | 120.1° |
| C63 | C65 | H65 | 120.6° | 119.9° |
| C64 | C66 | C67 | 120.6° | 120.1° |
| C66 | C64 | H64 | 119.0° | 120.1° |
| C64 | C66 | H66 | 119.7° | 119.9° |
| C65 | C67 | C66 | 121.7° | 120.3° |
| C67 | C65 | H65 | 120.6° | 120.0° |
| C65 | C67 | H67 | 119.2° | 119.8° |
| C67 | C66 | H66 | 119.7° | 119.9° |
| C66 | C67 | H67 | 119.2° | 119.9° |
| N72 | C68 | O73 | 127.2° | 120.0° |
| C68 | N72 | C71 | 114.9° | 120.0° |
| C68 | N72 | HN72 | 122.5° | 120.0° |
| C69 | C70 | C71 | 126.2° | 109.5° |
| C70 | C69 | H69 | 103.4° | 109.5° |
| C69 | C70 | H70 | 104.2° | 109.5° |
| C70 | C69 | H69A | 103.4° | 109.5° |
| C69 | C70 | H70A | 104.2° | 109.5° |
| C70 | C71 | N72 | 120.5° | 109.4° |
| C71 | C70 | H70 | 104.2° | 109.5° |
| C70 | C71 | H71 | 105.9° | 109.5° |
| C70 | C71 | H71A | 105.9° | 109.5° |
| C71 | C70 | H70A | 104.2° | 109.5° |
| N72 | C71 | H71 | 106.0° | 109.5° |
| N72 | C71 | H71A | 106.0° | 109.4° |
| C71 | N72 | HN72 | 122.6° | 120.0° |
| H1 | C1 | H1A | 106.2° | 109.5° |
| H20 | C20 | H20A | 114.5° | 109.4° |
| H22 | C22 | H22A | 114.4° | 109.5° |
| H31 | C31 | H31A | 113.3° | 109.4° |
| H32 | C32 | H32A | 111.2° | 109.4° |
| H33 | C33 | H33A | 112.8° | 109.5° |
| HN37 | N37 | HN3A | 120.0° | 120.1° |
| H44 | C44 | H44A | 108.6° | 109.4° |
| H58 | C58 | H58A | 113.7° | 109.5° |
| H59 | C59 | H59A | 108.3° | 109.4° |
| H69 | C69 | H69A | 114.8° | 109.5° |
| H70 | C70 | H70A | 114.2° | 109.5° |
| H71 | C71 | H71A | 112.8° | 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° |
| C1 | C2 | O3 | N16 | 179.8° | 180.0° |
| C2 | C1 | C7 | C6 | 124.1° | 90.0° |
| C2 | C1 | C7 | C8 | 55.7° | 90.0° |
| C1 | C2 | N16 | C17 | 178.8° | 180.0° |
| C2 | C1 | H1 | H1A | 123.5° | 120.0° |
| C1 | C2 | N16 | HN16 | 1.2° | 0.0° |
| C7 | C1 | C2 | O3 | 104.9° | 0.0° |
| C7 | C1 | C2 | N16 | 75.3° | 180.0° |
| C1 | C7 | C6 | C5 | 179.2° | 179.9° |
| C1 | C7 | C6 | C8 | 179.8° | 180.0° |
| C1 | C7 | C8 | C9 | 179.3° | 180.0° |
| C7 | C1 | H1 | H1A | 123.6° | 120.0° |
| C1 | C7 | C6 | H6 | 0.9° | 0.0° |
| C1 | C7 | C8 | H8 | 0.6° | 0.0° |
| O3 | C2 | N16 | C17 | 1.0° | 0.0° |
| O3 | C2 | C1 | H1 | 15.1° | 120.0° |
| O3 | C2 | C1 | H1A | 135.0° | 120.0° |
| O3 | C2 | N16 | HN16 | 179.0° | 180.0° |
| C2 | N16 | C17 | HN16 | 180.0° | 180.0° |
| C2 | N16 | C17 | C18 | 132.3° | 60.0° |
| C2 | N16 | C17 | C20 | 114.2° | 60.0° |
| N16 | C2 | C1 | H1 | 164.7° | 60.0° |
| N16 | C2 | C1 | H1A | 44.7° | 60.0° |
| C2 | N16 | C17 | H17 | 7.0° | 180.0° |
| C5 | C4 | C9 | C12 | 179.9° | 179.7° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.2° | 0.0° |
| C5 | C4 | C9 | C8 | 0.9° | 0.0° |
| C5 | C4 | C12 | C11 | 172.1° | 180.0° |
| C5 | C4 | C12 | C14 | 8.7° | 0.0° |
| C4 | C5 | C6 | H6 | 179.8° | 180.0° |
| C5 | C4 | C9 | H9 | 179.1° | 180.0° |
| C9 | C4 | C5 | C6 | 0.8° | 0.0° |
| C4 | C9 | C8 | C7 | 0.1° | 0.0° |
| C4 | C9 | C8 | H9 | 180.0° | 180.0° |
| C9 | C4 | C12 | C11 | 8.0° | 0.3° |
| C9 | C4 | C12 | C14 | 171.2° | 179.7° |
| C9 | C4 | C5 | H5 | 179.2° | 180.0° |
| C4 | C9 | C8 | H8 | 179.8° | 180.0° |
| C12 | C4 | C5 | C6 | 179.2° | 179.7° |
| C12 | C4 | C9 | C8 | 179.0° | 179.7° |
| C4 | C12 | C11 | C14 | 179.2° | 180.0° |
| C4 | C12 | C11 | C13 | 179.0° | 180.0° |
| C4 | C12 | C14 | C15 | 179.6° | 180.0° |
| C12 | C4 | C5 | H5 | 0.9° | 0.3° |
| C12 | C4 | C9 | H9 | 1.0° | 0.3° |
| C4 | C12 | C11 | H11 | 1.0° | 0.0° |
| C4 | C12 | C14 | H14 | 0.4° | 0.0° |
| C5 | C6 | C7 | H6 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 1.0° | 0.0° |
| C6 | C7 | C8 | C9 | 0.8° | 0.0° |
| C6 | C7 | C1 | H1 | 4.1° | 30.0° |
| C6 | C7 | C1 | H1A | 115.9° | 150.0° |
| C7 | C6 | C5 | H5 | 179.8° | 180.0° |
| C6 | C7 | C8 | H8 | 179.2° | 180.0° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C8 | C7 | C1 | H1 | 175.8° | 149.9° |
| C8 | C7 | C1 | H1A | 64.3° | 30.0° |
| C8 | C7 | C6 | H6 | 179.0° | 179.9° |
| C7 | C8 | C9 | H9 | 179.8° | 180.0° |
| C13 | C10 | C15 | H10 | 180.0° | 179.6° |
| C10 | C13 | C11 | C12 | 0.4° | 0.1° |
| C10 | C13 | C11 | H13 | 180.0° | 179.9° |
| C13 | C10 | C15 | C14 | 0.6° | 0.1° |
| C10 | C13 | C11 | H11 | 179.6° | 179.9° |
| C13 | C10 | C15 | H15 | 179.4° | 179.9° |
| C15 | C10 | C13 | C11 | 0.0° | 0.1° |
| C10 | C15 | C14 | C12 | 0.8° | 0.0° |
| C10 | C15 | C14 | H15 | 180.0° | 180.0° |
| C15 | C10 | C13 | H13 | 180.0° | 180.0° |
| C10 | C15 | C14 | H14 | 179.3° | 179.9° |
| C12 | C11 | C13 | H11 | 180.0° | 180.0° |
| C11 | C12 | C14 | C15 | 0.4° | 0.0° |
| C12 | C11 | C13 | H13 | 179.6° | 179.9° |
| C11 | C12 | C14 | H14 | 179.7° | 180.0° |
| C13 | C11 | C12 | C14 | 0.2° | 0.0° |
| C11 | C13 | C10 | H10 | 180.0° | 179.7° |
| C12 | C14 | C15 | H14 | 180.0° | 179.9° |
| C14 | C12 | C11 | H11 | 179.8° | 180.0° |
| C12 | C14 | C15 | H15 | 179.2° | 180.0° |
| C14 | C15 | C10 | H10 | 179.4° | 179.7° |
| N16 | C17 | C18 | C20 | 111.8° | 120.0° |
| N16 | C17 | C18 | H17 | 126.6° | 120.0° |
| N16 | C17 | C20 | H17 | 128.8° | 119.9° |
| N16 | C17 | C18 | O19 | 24.8° | 20.0° |
| N16 | C17 | C18 | N29 | 153.2° | 160.0° |
| N16 | C17 | C20 | C69 | 114.9° | 64.9° |
| N16 | C17 | C20 | H20 | 5.1° | 55.0° |
| N16 | C17 | C20 | H20A | 125.1° | 175.0° |
| C18 | C17 | C20 | H17 | 128.0° | 120.0° |
| C17 | C18 | O19 | N29 | 177.8° | 180.0° |
| C18 | C17 | C20 | C69 | 141.9° | 175.0° |
| C17 | C18 | N29 | C30 | 177.9° | 180.0° |
| C18 | C17 | N16 | HN16 | 47.7° | 120.0° |
| C18 | C17 | C20 | H20 | 98.1° | 65.0° |
| C18 | C17 | C20 | H20A | 21.9° | 55.0° |
| C17 | C18 | N29 | HN29 | 2.1° | 0.1° |
| C20 | C17 | C18 | O19 | 87.0° | 100.0° |
| C20 | C17 | C18 | N29 | 95.0° | 80.0° |
| C17 | C20 | C69 | H20 | 120.0° | 120.0° |
| C17 | C20 | C69 | H20A | 120.0° | 120.1° |
| C17 | C20 | C69 | C70 | 148.9° | 180.0° |
| C20 | C17 | N16 | HN16 | 65.8° | 120.0° |
| C17 | C20 | H20 | H20A | 112.5° | 120.0° |
| C17 | C20 | C69 | H69 | 91.1° | 60.0° |
| C17 | C20 | C69 | H69A | 28.9° | 60.0° |
| O19 | C18 | N29 | C30 | 0.1° | 0.0° |
| O19 | C18 | C17 | H17 | 151.4° | 140.0° |
| O19 | C18 | N29 | HN29 | 179.9° | 180.0° |
| C18 | N29 | C30 | HN29 | 180.0° | 179.9° |
| C18 | N29 | C30 | C31 | 63.7° | 84.9° |
| C18 | N29 | C30 | C38 | 179.6° | 155.0° |
| N29 | C18 | C17 | H17 | 26.6° | 39.9° |
| C18 | N29 | C30 | H30 | 59.2° | 35.0° |
| C20 | C69 | C70 | H69 | 120.0° | 120.0° |
| C20 | C69 | C70 | H69A | 120.0° | 120.0° |
| C20 | C69 | C70 | C71 | 0.5° | 180.0° |
| C69 | C20 | C17 | H17 | 13.9° | 55.0° |
| C69 | C20 | H20 | H20A | 112.5° | 120.0° |
| C20 | C69 | H69 | H69A | 111.8° | 120.0° |
| C20 | C69 | C70 | H70 | 120.5° | 60.0° |
| C20 | C69 | C70 | H70A | 119.5° | 60.0° |
| C23 | C22 | C68 | H22 | 120.0° | 120.0° |
| C23 | C22 | C68 | H22A | 120.0° | 120.0° |
| C22 | C23 | C24 | C25 | 179.9° | 179.7° |
| C22 | C23 | C24 | C26 | 179.4° | 180.0° |
| C22 | C23 | C25 | C27 | 179.2° | 180.0° |
| C23 | C22 | C68 | N72 | 112.1° | 180.0° |
| C23 | C22 | C68 | O73 | 68.6° | 0.0° |
| C23 | C22 | H22 | H22A | 112.7° | 120.0° |
| C22 | C23 | C24 | H24 | 0.6° | 0.1° |
| C22 | C23 | C25 | H25 | 0.8° | 0.0° |
| C68 | C22 | C23 | C24 | 66.7° | 90.0° |
| C68 | C22 | C23 | C25 | 113.4° | 90.3° |
| C22 | C68 | N72 | O73 | 179.1° | 180.0° |
| C22 | C68 | N72 | C71 | 179.1° | 180.0° |
| C68 | C22 | H22 | H22A | 112.7° | 120.0° |
| C22 | C68 | N72 | HN72 | 0.9° | 0.0° |
| C23 | C24 | C26 | H24 | 180.0° | 179.9° |
| C24 | C23 | C25 | C27 | 0.7° | 0.3° |
| C23 | C24 | C26 | C28 | 1.2° | 0.0° |
| C24 | C23 | C22 | H22 | 53.3° | 150.0° |
| C24 | C23 | C22 | H22A | 173.3° | 29.9° |
| C24 | C23 | C25 | H25 | 179.3° | 179.7° |
| C23 | C24 | C26 | H26 | 178.8° | 179.9° |
| C25 | C23 | C24 | C26 | 0.5° | 0.3° |
| C23 | C25 | C27 | H25 | 180.0° | 179.9° |
| C23 | C25 | C27 | C28 | 1.6° | 0.1° |
| C25 | C23 | C22 | H22 | 126.6° | 29.7° |
| C25 | C23 | C22 | H22A | 6.6° | 149.7° |
| C25 | C23 | C24 | H24 | 179.5° | 179.7° |
| C23 | C25 | C27 | H27 | 178.4° | 180.0° |
| C24 | C26 | C28 | H26 | 180.0° | 179.9° |
| C24 | C26 | C28 | C27 | 1.9° | 0.4° |
| C24 | C26 | C28 | C62 | 179.4° | 180.0° |
| C25 | C27 | C28 | C26 | 2.2° | 0.4° |
| C25 | C27 | C28 | H27 | 180.0° | 179.9° |
| C25 | C27 | C28 | C62 | 179.6° | 180.0° |
| C26 | C28 | C27 | C62 | 177.4° | 179.6° |
| C26 | C28 | C62 | C63 | 4.8° | 180.0° |
| C26 | C28 | C62 | C64 | 178.2° | 0.3° |
| C28 | C26 | C24 | H24 | 178.9° | 179.9° |
| C26 | C28 | C27 | H27 | 177.8° | 179.7° |
| C27 | C28 | C62 | C63 | 177.9° | 0.3° |
| C27 | C28 | C62 | C64 | 0.9° | 180.0° |
| C28 | C27 | C25 | H25 | 178.4° | 180.0° |
| C27 | C28 | C26 | H26 | 178.1° | 179.7° |
| C28 | C62 | C63 | C64 | 177.2° | 179.7° |
| C28 | C62 | C63 | C65 | 178.7° | 180.0° |
| C28 | C62 | C64 | C66 | 179.0° | 180.0° |
| C62 | C28 | C26 | H26 | 0.6° | 0.1° |
| C62 | C28 | C27 | H27 | 0.4° | 0.1° |
| C28 | C62 | C63 | H63 | 1.3° | 0.1° |
| C28 | C62 | C64 | H64 | 1.1° | 0.0° |
| N29 | C30 | C31 | C38 | 122.7° | 120.0° |
| N29 | C30 | C31 | H30 | 116.0° | 120.0° |
| N29 | C30 | C38 | H30 | 116.0° | 120.0° |
| N29 | C30 | C31 | C32 | 35.5° | 64.9° |
| N29 | C30 | C38 | O39 | 149.2° | 0.0° |
| N29 | C30 | C38 | N40 | 32.3° | 180.0° |
| N29 | C30 | C31 | H31 | 84.5° | 175.0° |
| N29 | C30 | C31 | H31A | 155.4° | 55.0° |
| C31 | C30 | C38 | H30 | 122.8° | 119.9° |
| C30 | C31 | C32 | H31 | 120.0° | 120.1° |
| C30 | C31 | C32 | H31A | 120.0° | 120.0° |
| C30 | C31 | C32 | C33 | 138.4° | 180.0° |
| C31 | C30 | C38 | O39 | 89.6° | 120.0° |
| C31 | C30 | C38 | N40 | 88.8° | 60.0° |
| C31 | C30 | N29 | HN29 | 116.3° | 95.0° |
| C30 | C31 | H31 | H31A | 114.7° | 120.0° |
| C30 | C31 | C32 | H32 | 18.4° | 59.9° |
| C30 | C31 | C32 | H32A | 101.6° | 60.0° |
| C38 | C30 | C31 | C32 | 87.3° | 175.0° |
| C30 | C38 | O39 | N40 | 178.2° | 180.0° |
| C30 | C38 | N40 | C41 | 177.6° | 180.0° |
| C38 | C30 | N29 | HN29 | 0.4° | 25.0° |
| C38 | C30 | C31 | H31 | 152.7° | 54.9° |
| C38 | C30 | C31 | H31A | 32.7° | 65.0° |
| C30 | C38 | N40 | HN40 | 2.4° | 0.0° |
| C31 | C32 | C33 | H32 | 120.0° | 120.1° |
| C31 | C32 | C33 | H32A | 120.0° | 120.0° |
| C31 | C32 | C33 | N34 | 179.4° | 180.0° |
| C32 | C31 | C30 | H30 | 151.5° | 55.0° |
| C32 | C31 | H31 | H31A | 114.7° | 119.9° |
| C31 | C32 | H32 | H32A | 117.8° | 120.0° |
| C31 | C32 | C33 | H33 | 60.7° | 60.0° |
| C31 | C32 | C33 | H33A | 59.3° | 60.0° |
| C32 | C33 | N34 | H33 | 120.0° | 120.0° |
| C32 | C33 | N34 | H33A | 120.0° | 120.0° |
| C32 | C33 | N34 | C35 | 99.8° | 180.0° |
| C33 | C32 | C31 | H31 | 101.6° | 59.9° |
| C33 | C32 | C31 | H31A | 18.4° | 60.0° |
| C33 | C32 | H32 | H32A | 117.8° | 120.0° |
| C32 | C33 | H33 | H33A | 115.4° | 119.9° |
| C32 | C33 | N34 | HN34 | 80.2° | 0.0° |
| C33 | N34 | C35 | HN34 | 180.0° | 179.9° |
| C33 | N34 | C35 | N36 | 32.8° | 0.1° |
| C33 | N34 | C35 | N37 | 147.3° | 180.0° |
| N34 | C33 | C32 | H32 | 59.4° | 60.0° |
| N34 | C33 | C32 | H32A | 60.6° | 59.9° |
| N34 | C33 | H33 | H33A | 115.5° | 120.1° |
| N34 | C35 | N36 | N37 | 180.0° | 180.0° |
| C35 | N34 | C33 | H33 | 140.2° | 60.1° |
| C35 | N34 | C33 | H33A | 20.2° | 60.0° |
| N34 | C35 | N36 | HN36 | 179.9° | 180.0° |
| N34 | C35 | N37 | HN37 | 180.0° | 0.0° |
| N34 | C35 | N37 | HN3A | 0.1° | 179.9° |
| N36 | C35 | N34 | HN34 | 147.3° | 180.0° |
| N36 | C35 | N37 | HN37 | 0.0° | 179.9° |
| N36 | C35 | N37 | HN3A | 180.0° | 0.0° |
| N37 | C35 | N34 | HN34 | 32.7° | 0.0° |
| N37 | C35 | N36 | HN36 | 0.0° | 0.0° |
| C35 | N37 | HN37 | HN3A | 180.0° | 179.9° |
| O39 | C38 | N40 | C41 | 0.7° | 0.0° |
| O39 | C38 | C30 | H30 | 33.2° | 120.0° |
| O39 | C38 | N40 | HN40 | 179.3° | 180.0° |
| C38 | N40 | C41 | HN40 | 180.0° | 180.0° |
| C38 | N40 | C41 | C42 | 85.4° | 155.0° |
| C38 | N40 | C41 | C44 | 157.8° | 85.0° |
| N40 | C38 | C30 | H30 | 148.4° | 60.0° |
| C38 | N40 | C41 | H41 | 39.7° | 34.9° |
| N40 | C41 | C42 | C44 | 121.5° | 120.0° |
| N40 | C41 | C42 | H41 | 120.8° | 120.0° |
| N40 | C41 | C44 | H41 | 121.5° | 120.0° |
| N40 | C41 | C42 | O43 | 49.4° | 0.0° |
| N40 | C41 | C42 | N60 | 130.9° | 180.0° |
| N40 | C41 | C44 | C45 | 179.1° | 65.0° |
| N40 | C41 | C44 | H44 | 60.9° | 55.0° |
| N40 | C41 | C44 | H44A | 59.1° | 175.0° |
| C42 | C41 | C44 | H41 | 125.4° | 120.0° |
| C41 | C42 | O43 | N60 | 179.6° | 180.0° |
| C42 | C41 | C44 | C45 | 66.0° | 175.0° |
| C41 | C42 | N60 | C59 | 179.8° | 180.0° |
| C42 | C41 | N40 | HN40 | 94.6° | 25.0° |
| C42 | C41 | C44 | H44 | 174.0° | 65.0° |
| C42 | C41 | C44 | H44A | 54.0° | 55.0° |
| C41 | C42 | N60 | HN60 | 0.2° | 0.1° |
| C44 | C41 | C42 | O43 | 72.1° | 120.0° |
| C44 | C41 | C42 | N60 | 107.5° | 60.0° |
| C41 | C44 | C45 | H44 | 120.0° | 120.0° |
| C41 | C44 | C45 | H44A | 120.0° | 120.1° |
| C41 | C44 | C45 | C46 | 78.1° | 90.0° |
| C41 | C44 | C45 | C47 | 101.2° | 90.2° |
| C44 | C41 | N40 | HN40 | 22.2° | 95.0° |
| C41 | C44 | H44 | H44A | 121.0° | 120.0° |
| O43 | C42 | N60 | C59 | 0.2° | 0.0° |
| O43 | C42 | C41 | H41 | 170.2° | 120.0° |
| O43 | C42 | N60 | HN60 | 179.8° | 180.0° |
| C42 | N60 | C59 | C58 | 91.1° | 180.0° |
| C42 | N60 | C59 | HN60 | 180.0° | 179.9° |
| N60 | C42 | C41 | H41 | 10.1° | 60.0° |
| C42 | N60 | C59 | H59 | 28.9° | 60.0° |
| C42 | N60 | C59 | H59A | 148.9° | 60.0° |
| C44 | C45 | C46 | C47 | 179.3° | 179.8° |
| C44 | C45 | C46 | C48 | 179.2° | 180.0° |
| C44 | C45 | C47 | C49 | 179.2° | 180.0° |
| C45 | C44 | C41 | H41 | 59.4° | 55.0° |
| C45 | C44 | H44 | H44A | 121.0° | 119.9° |
| C44 | C45 | C46 | H46 | 0.8° | 0.0° |
| C44 | C45 | C47 | H47 | 0.8° | 0.1° |
| C45 | C46 | C48 | H46 | 180.0° | 180.0° |
| C46 | C45 | C47 | C49 | 0.1° | 0.2° |
| C45 | C46 | C48 | C50 | 0.0° | 0.0° |
| C46 | C45 | C44 | H44 | 41.9° | 30.1° |
| C46 | C45 | C44 | H44A | 161.9° | 150.0° |
| C46 | C45 | C47 | H47 | 179.9° | 179.7° |
| C45 | C46 | C48 | H48 | 180.0° | 180.0° |
| C47 | C45 | C46 | C48 | 0.1° | 0.2° |
| C45 | C47 | C49 | H47 | 180.0° | 179.9° |
| C45 | C47 | C49 | C50 | 0.0° | 0.1° |
| C47 | C45 | C44 | H44 | 138.8° | 149.8° |
| C47 | C45 | C44 | H44A | 18.8° | 29.8° |
| C47 | C45 | C46 | H46 | 179.9° | 179.8° |
| C45 | C47 | C49 | H49 | 179.9° | 179.9° |
| C46 | C48 | C50 | H48 | 180.0° | 180.0° |
| C46 | C48 | C50 | C49 | 0.1° | 0.3° |
| C46 | C48 | C50 | O51 | 179.7° | 180.0° |
| C47 | C49 | C50 | C48 | 0.1° | 0.3° |
| C47 | C49 | C50 | H49 | 180.0° | 180.0° |
| C47 | C49 | C50 | O51 | 179.8° | 180.0° |
| C48 | C50 | C49 | O51 | 179.9° | 179.8° |
| C50 | C48 | C46 | H46 | 180.0° | 180.0° |
| C48 | C50 | C49 | H49 | 179.9° | 179.7° |
| C48 | C50 | O51 | HO51 | 180.0° | 90.0° |
| C50 | C49 | C47 | H47 | 180.0° | 180.0° |
| C49 | C50 | C48 | H48 | 179.8° | 179.8° |
| C49 | C50 | O51 | HO51 | 0.1° | 89.7° |
| O51 | C50 | C48 | H48 | 0.3° | 0.0° |
| O51 | C50 | C49 | H49 | 0.2° | 0.1° |
| C53 | C52 | C57 | C58 | 179.8° | 179.7° |
| C52 | C53 | C54 | H53 | 180.0° | 179.9° |
| C52 | C53 | C54 | C55 | 0.1° | 0.0° |
| C53 | C52 | C57 | C56 | 0.0° | 0.1° |
| C53 | C52 | C58 | C59 | 37.6° | 90.0° |
| C52 | C53 | C54 | H54 | 179.9° | 179.9° |
| C53 | C52 | C57 | H57 | 180.0° | 180.0° |
| C53 | C52 | C58 | H58 | 157.6° | 150.0° |
| C53 | C52 | C58 | H58A | 82.4° | 30.0° |
| C57 | C52 | C53 | C54 | 0.0° | 0.0° |
| C52 | C57 | C56 | C55 | 0.0° | 0.2° |
| C52 | C57 | C56 | H57 | 180.0° | 179.9° |
| C57 | C52 | C58 | C59 | 142.6° | 90.3° |
| C57 | C52 | C53 | H53 | 180.0° | 180.0° |
| C52 | C57 | C56 | H56 | 180.0° | 180.0° |
| C57 | C52 | C58 | H58 | 22.6° | 29.7° |
| C57 | C52 | C58 | H58A | 97.4° | 149.7° |
| C58 | C52 | C53 | C54 | 179.9° | 179.7° |
| C58 | C52 | C57 | C56 | 179.8° | 179.6° |
| C52 | C58 | C59 | H58 | 120.0° | 119.9° |
| C52 | C58 | C59 | H58A | 120.0° | 120.0° |
| C52 | C58 | C59 | N60 | 73.0° | 180.0° |
| C58 | C52 | C53 | H53 | 0.1° | 0.3° |
| C58 | C52 | C57 | H57 | 0.2° | 0.3° |
| C52 | C58 | H58 | H58A | 113.9° | 120.0° |
| C52 | C58 | C59 | H59 | 167.0° | 60.0° |
| C52 | C58 | C59 | H59A | 47.0° | 60.0° |
| C53 | C54 | C55 | H54 | 180.0° | 179.9° |
| C53 | C54 | C55 | C56 | 0.1° | 0.1° |
| C53 | C54 | C55 | H55 | 179.9° | 179.9° |
| C54 | C55 | C56 | H55 | 180.0° | 180.0° |
| C54 | C55 | C56 | C57 | 0.0° | 0.2° |
| C55 | C54 | C53 | H53 | 179.9° | 180.0° |
| C54 | C55 | C56 | H56 | 180.0° | 180.0° |
| C55 | C56 | C57 | H56 | 180.0° | 179.8° |
| C56 | C55 | C54 | H54 | 179.9° | 180.0° |
| C55 | C56 | C57 | H57 | 180.0° | 180.0° |
| C57 | C56 | C55 | H55 | 180.0° | 179.9° |
| C58 | C59 | N60 | H59 | 120.0° | 120.0° |
| C58 | C59 | N60 | H59A | 120.0° | 120.0° |
| C59 | C58 | H58 | H58A | 114.0° | 120.1° |
| C58 | C59 | H59 | H59A | 121.4° | 120.0° |
| C58 | C59 | N60 | HN60 | 88.9° | 0.0° |
| N60 | C59 | C58 | H58 | 47.0° | 60.1° |
| N60 | C59 | C58 | H58A | 167.0° | 60.0° |
| N60 | C59 | H59 | H59A | 121.4° | 120.0° |
| C62 | C63 | C65 | H63 | 180.0° | 180.0° |
| C63 | C62 | C64 | C66 | 1.8° | 0.3° |
| C62 | C63 | C65 | C67 | 1.1° | 0.0° |
| C63 | C62 | C64 | H64 | 178.2° | 179.7° |
| C62 | C63 | C65 | H65 | 178.9° | 180.0° |
| C64 | C62 | C63 | C65 | 1.4° | 0.3° |
| C62 | C64 | C66 | H64 | 180.0° | 180.0° |
| C62 | C64 | C66 | C67 | 1.8° | 0.0° |
| C64 | C62 | C63 | H63 | 178.5° | 179.8° |
| C62 | C64 | C66 | H66 | 178.2° | 179.9° |
| C63 | C65 | C67 | H65 | 180.0° | 180.0° |
| C63 | C65 | C67 | C66 | 1.0° | 0.3° |
| C63 | C65 | C67 | H67 | 179.0° | 180.0° |
| C64 | C66 | C67 | C65 | 1.4° | 0.2° |
| C64 | C66 | C67 | H66 | 180.0° | 179.9° |
| C64 | C66 | C67 | H67 | 178.6° | 179.9° |
| C65 | C67 | C66 | H67 | 180.0° | 179.7° |
| C67 | C65 | C63 | H63 | 178.9° | 180.0° |
| C65 | C67 | C66 | H66 | 178.6° | 179.7° |
| C67 | C66 | C64 | H64 | 178.2° | 180.0° |
| C66 | C67 | C65 | H65 | 179.0° | 179.8° |
| C68 | N72 | C71 | C70 | 164.6° | 180.0° |
| C68 | N72 | C71 | HN72 | 180.0° | 180.0° |
| N72 | C68 | C22 | H22 | 7.8° | 60.0° |
| N72 | C68 | C22 | H22A | 127.9° | 60.0° |
| C68 | N72 | C71 | H71 | 75.4° | 60.0° |
| C68 | N72 | C71 | H71A | 44.6° | 60.0° |
| O73 | C68 | N72 | C71 | 0.1° | 0.0° |
| O73 | C68 | C22 | H22 | 171.4° | 120.0° |
| O73 | C68 | C22 | H22A | 51.3° | 120.0° |
| O73 | C68 | N72 | HN72 | 179.9° | 180.0° |
| C69 | C70 | C71 | H70 | 120.0° | 120.0° |
| C69 | C70 | C71 | H70A | 120.0° | 120.0° |
| C69 | C70 | C71 | N72 | 167.8° | 180.0° |
| C70 | C69 | C20 | H20 | 28.9° | 60.0° |
| C70 | C69 | C20 | H20A | 91.2° | 60.0° |
| C70 | C69 | H69 | H69A | 111.8° | 120.0° |
| C69 | C70 | H70 | H70A | 113.1° | 120.0° |
| C69 | C70 | C71 | H71 | 72.2° | 60.0° |
| C69 | C70 | C71 | H71A | 47.8° | 60.1° |
| C70 | C71 | N72 | H71 | 120.0° | 120.0° |
| C70 | C71 | N72 | H71A | 120.0° | 119.9° |
| C71 | C70 | C69 | H69 | 119.5° | 60.0° |
| C71 | C70 | H70 | H70A | 113.0° | 120.0° |
| C70 | C71 | H71 | H71A | 115.4° | 120.0° |
| C70 | C71 | N72 | HN72 | 15.4° | 0.1° |
| C71 | C70 | C69 | H69A | 120.5° | 60.0° |
| N72 | C71 | C70 | H70 | 47.8° | 60.0° |
| N72 | C71 | H71 | H71A | 115.5° | 120.0° |
| N72 | C71 | C70 | H70A | 72.3° | 60.0° |
| H5 | C5 | C6 | H6 | 0.2° | 0.1° |
| H8 | C8 | C9 | H9 | 0.2° | 0.1° |
| H10 | C10 | C13 | H13 | 0.0° | 0.4° |
| H10 | C10 | C15 | H15 | 0.6° | 0.3° |
| H11 | C11 | C13 | H13 | 0.4° | 0.1° |
| H14 | C14 | C15 | H15 | 0.7° | 0.1° |
| HN16 | N16 | C17 | H17 | 173.0° | 0.0° |
| H17 | C17 | C20 | H20 | 133.9° | 175.0° |
| H17 | C17 | C20 | H20A | 106.1° | 65.0° |
| H20 | C20 | C69 | H69 | 148.9° | 180.0° |
| H20 | C20 | C69 | H69A | 91.1° | 60.0° |
| H20A | C20 | C69 | H69 | 28.8° | 60.0° |
| H20A | C20 | C69 | H69A | 148.9° | 179.9° |
| H24 | C24 | C26 | H26 | 1.1° | 0.0° |
| H25 | C25 | C27 | H27 | 1.6° | 0.1° |
| HN29 | N29 | C30 | H30 | 120.8° | 145.1° |
| H30 | C30 | C31 | H31 | 31.5° | 65.0° |
| H30 | C30 | C31 | H31A | 88.5° | 175.0° |
| H31 | C31 | C32 | H32 | 138.4° | 180.0° |
| H31 | C31 | C32 | H32A | 18.4° | 60.1° |
| H31A | C31 | C32 | H32 | 101.6° | 60.0° |
| H31A | C31 | C32 | H32A | 138.4° | 180.0° |
| H32 | C32 | C33 | H33 | 179.4° | 180.0° |
| H32 | C32 | C33 | H33A | 60.6° | 60.1° |
| H32A | C32 | C33 | H33 | 59.4° | 60.1° |
| H32A | C32 | C33 | H33A | 179.4° | 180.0° |
| H33 | C33 | N34 | HN34 | 39.8° | 120.0° |
| H33A | C33 | N34 | HN34 | 159.8° | 120.0° |
| HN40 | N40 | C41 | H41 | 140.3° | 145.0° |
| H41 | C41 | C44 | H44 | 60.6° | 175.0° |
| H41 | C41 | C44 | H44A | 179.4° | 65.0° |
| H46 | C46 | C48 | H48 | 0.1° | 0.0° |
| H47 | C47 | C49 | H49 | 0.1° | 0.0° |
| H53 | C53 | C54 | H54 | 0.1° | 0.1° |
| H54 | C54 | C55 | H55 | 0.1° | 0.0° |
| H55 | C55 | C56 | H56 | 0.0° | 0.1° |
| H56 | C56 | C57 | H57 | 0.0° | 0.2° |
| H58 | C58 | C59 | H59 | 73.0° | 179.9° |
| H58 | C58 | C59 | H59A | 167.0° | 60.0° |
| H58A | C58 | C59 | H59 | 47.1° | 60.0° |
| H58A | C58 | C59 | H59A | 73.0° | 180.0° |
| H59 | C59 | N60 | HN60 | 151.1° | 120.0° |
| H59A | C59 | N60 | HN60 | 31.1° | 120.1° |
| H63 | C63 | C65 | H65 | 1.1° | 0.0° |
| H64 | C64 | C66 | H66 | 1.8° | 0.1° |
| H65 | C65 | C67 | H67 | 1.0° | 0.1° |
| H66 | C66 | C67 | H67 | 1.4° | 0.0° |
| H69 | C69 | C70 | H70 | 0.5° | 180.0° |
| H69 | C69 | C70 | H70A | 120.5° | 60.0° |
| H70 | C70 | C71 | H71 | 167.8° | 180.0° |
| H70 | C70 | C71 | H71A | 72.2° | 59.9° |
| H70 | C70 | C69 | H69A | 119.5° | 60.0° |
| H71 | C71 | N72 | HN72 | 104.6° | 119.9° |
| H71 | C71 | C70 | H70A | 47.8° | 60.0° |
| H71A | C71 | N72 | HN72 | 135.4° | 120.0° |
| H71A | C71 | C70 | H70A | 167.8° | 180.0° |
| H69A | C69 | C70 | H70A | 0.5° | 180.0° |
