OPT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.45Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C2 | O3 | doub | 1.21Å | 1.25Å | |
| C7 | C1 | sing | 1.51Å | 1.50Å | |
| C7 | C6 | sing | 1.38Å | 1.54Å | Aromatic |
| C8 | C7 | doub | 1.38Å | 1.48Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | C8 | sing | 1.38Å | 1.45Å | Aromatic |
| C9 | C4 | doub | 1.39Å | 1.52Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | C13 | sing | 1.38Å | 1.54Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | C11 | sing | 1.39Å | 1.53Å | Aromatic |
| C12 | C4 | sing | 1.48Å | 1.49Å | Aromatic |
| C13 | C11 | doub | 1.38Å | 1.48Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | C12 | doub | 1.39Å | 1.54Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | C10 | doub | 1.38Å | 1.51Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.51Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C20 | C17 | sing | 1.53Å | 1.54Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C22 | SG2 | sing | 1.81Å | 1.74Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C24 | C23 | sing | 1.38Å | 1.42Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C27 | C25 | sing | 1.38Å | 1.43Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| N29 | C30 | sing | 1.46Å | 1.40Å | |
| N29 | HN29 | sing | 0.97Å | 1.00Å | |
| C30 | C38 | sing | 1.51Å | 1.45Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | C30 | sing | 1.53Å | 1.62Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| C32 | C31 | sing | 1.53Å | 1.59Å | |
| C32 | C33 | sing | 1.53Å | 1.48Å | |
| 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 | |
| C35 | N36 | sing | 1.47Å | 1.36Å | |
| C4 | C5 | sing | 1.39Å | 1.54Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.48Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| N16 | C2 | sing | 1.35Å | 1.55Å | |
| N16 | C17 | sing | 1.46Å | 1.46Å | |
| N16 | HN16 | sing | 0.97Å | 1.00Å | |
| C17 | C18 | sing | 1.51Å | 1.49Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | N29 | sing | 1.35Å | 1.53Å | |
| O19 | C18 | doub | 1.21Å | 1.27Å | |
| SG2 | C20 | sing | 1.81Å | 1.77Å | |
| C23 | C22 | sing | 1.51Å | 1.56Å | |
| C25 | C23 | doub | 1.38Å | 1.47Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | C24 | doub | 1.38Å | 1.43Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C28 | C27 | doub | 1.38Å | 1.44Å | Aromatic |
| C28 | C26 | sing | 1.38Å | 1.43Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| N34 | C33 | sing | 1.47Å | 1.38Å | |
| N34 | C35 | sing | 1.47Å | 1.39Å | |
| N34 | HN34 | sing | 1.01Å | 1.00Å | |
| N36 | HN36 | sing | 1.01Å | 1.00Å | |
| N36 | HN3A | sing | 1.01Å | 1.00Å | |
| N37 | C35 | sing | 1.47Å | 1.36Å | |
| N37 | HN37 | sing | 1.01Å | 1.00Å | |
| C38 | O39 | doub | 1.21Å | 1.26Å | |
| C38 | N40 | sing | 1.35Å | 1.31Å | |
| N40 | C41 | sing | 1.47Å | 1.38Å | |
| N40 | HN40 | sing | 0.97Å | 1.00Å | |
| C41 | C44 | sing | 1.53Å | 1.60Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| C42 | C41 | sing | 1.51Å | 1.57Å | |
| C42 | N60 | sing | 1.35Å | 1.49Å | |
| O43 | C42 | doub | 1.21Å | 1.26Å | |
| C44 | C45 | sing | 1.51Å | 1.56Å | |
| C44 | H44 | sing | 1.09Å | 1.10Å | |
| C44 | H44A | sing | 1.09Å | 1.10Å | |
| C45 | C47 | doub | 1.38Å | 1.51Å | Aromatic |
| C45 | C46 | sing | 1.38Å | 1.47Å | Aromatic |
| C46 | C48 | doub | 1.38Å | 1.45Å | Aromatic |
| C46 | H46 | sing | 1.08Å | 1.08Å | |
| C47 | C49 | sing | 1.38Å | 1.44Å | Aromatic |
| C47 | H47 | sing | 1.08Å | 1.08Å | |
| C48 | C50 | sing | 1.39Å | 1.47Å | Aromatic |
| C48 | H48 | sing | 1.08Å | 1.08Å | |
| C49 | C50 | doub | 1.39Å | 1.46Å | Aromatic |
| C49 | H49 | sing | 1.08Å | 1.08Å | |
| C50 | O51 | sing | 1.36Å | 1.34Å | |
| O51 | HO51 | sing | 0.97Å | 0.95Å | |
| C52 | C53 | sing | 1.38Å | 1.53Å | Aromatic |
| C53 | C54 | doub | 1.38Å | 1.48Å | Aromatic |
| C53 | H53 | sing | 1.08Å | 1.08Å | |
| C54 | H54 | sing | 1.08Å | 1.08Å | |
| C55 | C54 | sing | 1.38Å | 1.49Å | Aromatic |
| C55 | H55 | sing | 1.08Å | 1.08Å | |
| C56 | C55 | doub | 1.38Å | 1.48Å | Aromatic |
| C56 | H56 | sing | 1.08Å | 1.08Å | |
| C57 | C52 | doub | 1.38Å | 1.49Å | Aromatic |
| C57 | C56 | sing | 1.38Å | 1.47Å | Aromatic |
| C57 | H57 | sing | 1.08Å | 1.08Å | |
| C58 | C52 | sing | 1.51Å | 1.49Å | |
| C58 | C59 | sing | 1.53Å | 1.48Å | |
| C58 | H58 | sing | 1.09Å | 1.10Å | |
| C58 | H58A | sing | 1.09Å | 1.10Å | |
| C59 | N60 | sing | 1.46Å | 1.56Å | |
| C59 | H59 | sing | 1.09Å | 1.10Å | |
| C59 | H59A | sing | 1.09Å | 1.10Å | |
| N60 | HN60 | sing | 0.97Å | 1.00Å | |
| C35 | H541 | sing | 1.09Å | 1.10Å | |
| N37 | H551 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | H1 | 104.6° | 109.5° |
| C2 | C1 | H1A | 101.0° | 109.5° |
| C1 | C2 | O3 | 118.7° | 120.0° |
| C2 | C1 | C7 | 124.8° | 109.4° |
| C1 | C2 | N16 | 114.8° | 120.0° |
| H1 | C1 | H1A | 122.5° | 109.5° |
| H1 | C1 | C7 | 104.7° | 109.5° |
| H1A | C1 | C7 | 101.0° | 109.4° |
| O3 | C2 | N16 | 126.5° | 120.0° |
| C1 | C7 | C6 | 123.0° | 119.9° |
| C1 | C7 | C8 | 115.6° | 119.9° |
| C6 | C7 | C8 | 121.4° | 120.2° |
| C7 | C6 | C5 | 119.1° | 120.2° |
| C7 | C6 | H6 | 120.4° | 119.9° |
| C7 | C8 | H8 | 120.3° | 120.0° |
| C7 | C8 | C9 | 119.4° | 120.1° |
| H8 | C8 | C9 | 120.3° | 119.9° |
| C8 | C9 | C4 | 121.7° | 119.9° |
| C8 | C9 | H9 | 119.2° | 120.1° |
| C4 | C9 | H9 | 119.1° | 120.0° |
| C9 | C4 | C12 | 118.6° | 120.1° |
| C9 | C4 | C5 | 119.2° | 119.7° |
| C13 | C10 | H10 | 120.6° | 119.9° |
| C10 | C13 | C11 | 122.7° | 120.1° |
| C10 | C13 | H13 | 118.7° | 119.9° |
| C13 | C10 | C15 | 118.7° | 120.2° |
| H10 | C10 | C15 | 120.6° | 119.9° |
| H11 | C11 | C12 | 121.0° | 120.1° |
| H11 | C11 | C13 | 121.0° | 120.1° |
| C11 | C12 | C4 | 119.1° | 120.1° |
| C12 | C11 | C13 | 118.0° | 119.8° |
| C11 | C12 | C14 | 120.5° | 119.8° |
| C4 | C12 | C14 | 120.4° | 120.2° |
| C12 | C4 | C5 | 122.2° | 120.1° |
| C11 | C13 | H13 | 118.7° | 119.9° |
| C12 | C14 | H14 | 120.0° | 120.0° |
| C12 | C14 | C15 | 119.9° | 119.9° |
| H14 | C14 | C15 | 120.1° | 120.1° |
| C10 | C15 | C14 | 120.2° | 120.2° |
| C10 | C15 | H15 | 119.9° | 120.0° |
| C14 | C15 | H15 | 119.9° | 119.9° |
| C17 | C20 | H20 | 107.9° | 109.5° |
| C17 | C20 | H20A | 106.9° | 109.4° |
| C20 | C17 | N16 | 104.1° | 109.5° |
| C20 | C17 | C18 | 116.7° | 109.5° |
| C20 | C17 | H17 | 106.0° | 109.5° |
| C17 | C20 | SG2 | 114.2° | 109.5° |
| H20 | C20 | H20A | 113.3° | 109.5° |
| H20 | C20 | SG2 | 107.9° | 109.5° |
| H20A | C20 | SG2 | 106.8° | 109.5° |
| SG2 | C22 | H22 | 103.8° | 109.5° |
| SG2 | C22 | H22A | 99.5° | 109.5° |
| C22 | SG2 | C20 | 111.3° | 103.0° |
| SG2 | C22 | C23 | 127.6° | 109.5° |
| H22 | C22 | H22A | 125.2° | 109.4° |
| H22 | C22 | C23 | 103.8° | 109.5° |
| H22A | C22 | C23 | 99.5° | 109.5° |
| C23 | C24 | H24 | 119.7° | 120.0° |
| C24 | C23 | C22 | 120.4° | 120.0° |
| C24 | C23 | C25 | 118.9° | 120.0° |
| C23 | C24 | C26 | 120.6° | 120.0° |
| H24 | C24 | C26 | 119.7° | 120.0° |
| C25 | C27 | H27 | 120.3° | 120.0° |
| C27 | C25 | C23 | 120.7° | 120.0° |
| C27 | C25 | H25 | 119.7° | 120.0° |
| C25 | C27 | C28 | 119.3° | 120.0° |
| H27 | C27 | C28 | 120.3° | 120.0° |
| C30 | N29 | HN29 | 117.9° | 120.1° |
| N29 | C30 | C38 | 116.3° | 109.5° |
| N29 | C30 | H30 | 98.9° | 109.5° |
| N29 | C30 | C31 | 113.6° | 109.5° |
| C30 | N29 | C18 | 124.2° | 120.0° |
| HN29 | N29 | C18 | 117.9° | 119.9° |
| C38 | C30 | H30 | 113.8° | 109.5° |
| C38 | C30 | C31 | 98.7° | 109.4° |
| C30 | C38 | O39 | 115.3° | 120.0° |
| C30 | C38 | N40 | 118.3° | 120.0° |
| H30 | C30 | C31 | 116.5° | 109.5° |
| C30 | C31 | H31 | 105.9° | 109.5° |
| C30 | C31 | H31A | 103.3° | 109.5° |
| C30 | C31 | C32 | 120.6° | 109.5° |
| H31 | C31 | H31A | 118.7° | 109.5° |
| H31 | C31 | C32 | 105.9° | 109.5° |
| H31A | C31 | C32 | 103.3° | 109.4° |
| C31 | C32 | C33 | 108.5° | 109.5° |
| C31 | C32 | H32 | 109.8° | 109.5° |
| C31 | C32 | H32A | 110.0° | 109.5° |
| C33 | C32 | H32 | 109.8° | 109.5° |
| C33 | C32 | H32A | 110.0° | 109.5° |
| C32 | C33 | H33 | 104.8° | 109.5° |
| C32 | C33 | H33A | 101.2° | 109.5° |
| C32 | C33 | N34 | 124.4° | 109.4° |
| H32 | C32 | H32A | 108.8° | 109.5° |
| H33 | C33 | H33A | 122.1° | 109.5° |
| H33 | C33 | N34 | 104.8° | 109.4° |
| H33A | C33 | N34 | 101.3° | 109.5° |
| N36 | C35 | N34 | 125.7° | 109.5° |
| C35 | N36 | HN36 | 109.5° | 111.0° |
| C35 | N36 | HN3A | 109.4° | 111.0° |
| N36 | C35 | N37 | 113.3° | 109.4° |
| N36 | C35 | H541 | 100.5° | 109.5° |
| C4 | C5 | C6 | 119.1° | 119.9° |
| C4 | C5 | H5 | 120.4° | 120.0° |
| C6 | C5 | H5 | 120.5° | 120.1° |
| C5 | C6 | H6 | 120.4° | 119.9° |
| C2 | N16 | C17 | 118.9° | 120.0° |
| C2 | N16 | HN16 | 120.6° | 120.0° |
| C17 | N16 | HN16 | 120.5° | 120.0° |
| N16 | C17 | C18 | 100.9° | 109.5° |
| N16 | C17 | H17 | 120.7° | 109.4° |
| C18 | C17 | H17 | 109.0° | 109.5° |
| C17 | C18 | N29 | 111.1° | 120.0° |
| C17 | C18 | O19 | 126.6° | 120.0° |
| N29 | C18 | O19 | 122.4° | 120.0° |
| C22 | C23 | C25 | 120.8° | 120.0° |
| C23 | C25 | H25 | 119.6° | 120.0° |
| C24 | C26 | H26 | 119.8° | 120.1° |
| C24 | C26 | C28 | 120.5° | 120.0° |
| H26 | C26 | C28 | 119.7° | 120.0° |
| C27 | C28 | C26 | 120.0° | 120.0° |
| C27 | C28 | H28 | 120.0° | 120.0° |
| C26 | C28 | H28 | 120.0° | 120.0° |
| C33 | N34 | C35 | 137.3° | 111.0° |
| C33 | N34 | HN34 | 101.1° | 111.0° |
| C35 | N34 | HN34 | 101.1° | 110.9° |
| N34 | C35 | N37 | 120.9° | 109.5° |
| N34 | C35 | H541 | 25.5° | 109.5° |
| HN36 | N36 | HN3A | 109.5° | 111.0° |
| C35 | N37 | HN37 | 109.5° | 111.0° |
| N37 | C35 | H541 | 146.0° | 109.5° |
| C35 | N37 | H551 | 109.5° | 111.0° |
| HN37 | N37 | H551 | 109.5° | 111.0° |
| O39 | C38 | N40 | 126.4° | 120.0° |
| C38 | N40 | C41 | 117.5° | 120.0° |
| C38 | N40 | HN40 | 121.2° | 120.0° |
| C41 | N40 | HN40 | 121.3° | 120.0° |
| N40 | C41 | C44 | 112.6° | 109.4° |
| N40 | C41 | H41 | 108.3° | 109.5° |
| N40 | C41 | C42 | 107.7° | 109.5° |
| C44 | C41 | H41 | 107.4° | 109.5° |
| C44 | C41 | C42 | 108.5° | 109.5° |
| C41 | C44 | C45 | 111.3° | 109.5° |
| C41 | C44 | H44 | 108.9° | 109.5° |
| C41 | C44 | H44A | 108.5° | 109.5° |
| H41 | C41 | C42 | 112.4° | 109.5° |
| C41 | C42 | N60 | 110.6° | 120.0° |
| C41 | C42 | O43 | 117.7° | 120.0° |
| N60 | C42 | O43 | 131.7° | 120.0° |
| C42 | N60 | C59 | 115.6° | 120.0° |
| C42 | N60 | HN60 | 122.2° | 120.0° |
| C45 | C44 | H44 | 108.9° | 109.5° |
| C45 | C44 | H44A | 108.5° | 109.5° |
| C44 | C45 | C47 | 120.2° | 120.0° |
| C44 | C45 | C46 | 120.2° | 120.0° |
| H44 | C44 | H44A | 110.9° | 109.4° |
| C47 | C45 | C46 | 119.6° | 120.1° |
| C45 | C47 | C49 | 120.2° | 120.1° |
| C45 | C47 | H47 | 119.9° | 119.9° |
| C45 | C46 | C48 | 119.6° | 120.1° |
| C45 | C46 | H46 | 120.2° | 120.0° |
| C48 | C46 | H46 | 120.2° | 120.0° |
| C46 | C48 | C50 | 119.7° | 119.9° |
| C46 | C48 | H48 | 120.1° | 120.0° |
| C49 | C47 | H47 | 119.9° | 120.0° |
| C47 | C49 | C50 | 119.3° | 119.9° |
| C47 | C49 | H49 | 120.4° | 120.0° |
| C50 | C48 | H48 | 120.1° | 120.0° |
| C48 | C50 | C49 | 121.6° | 119.9° |
| C48 | C50 | O51 | 119.9° | 120.0° |
| C50 | C49 | H49 | 120.4° | 120.0° |
| C49 | C50 | O51 | 118.5° | 120.1° |
| C50 | O51 | HO51 | 109.5° | 113.9° |
| C52 | C53 | C54 | 118.8° | 120.0° |
| C52 | C53 | H53 | 120.6° | 120.0° |
| C53 | C52 | C57 | 120.4° | 120.0° |
| C53 | C52 | C58 | 120.7° | 120.0° |
| C54 | C53 | H53 | 120.6° | 120.0° |
| C53 | C54 | H54 | 120.1° | 120.0° |
| C53 | C54 | C55 | 119.8° | 120.0° |
| H54 | C54 | C55 | 120.1° | 120.0° |
| C54 | C55 | H55 | 119.5° | 120.0° |
| C54 | C55 | C56 | 121.1° | 120.0° |
| H55 | C55 | C56 | 119.5° | 120.0° |
| C55 | C56 | H56 | 119.6° | 120.0° |
| C55 | C56 | C57 | 120.7° | 120.0° |
| H56 | C56 | C57 | 119.7° | 119.9° |
| C52 | C57 | C56 | 119.3° | 120.0° |
| C52 | C57 | H57 | 120.4° | 120.0° |
| C57 | C52 | C58 | 118.9° | 120.0° |
| C56 | C57 | H57 | 120.4° | 120.0° |
| C52 | C58 | C59 | 124.8° | 109.4° |
| C52 | C58 | H58 | 104.7° | 109.5° |
| C52 | C58 | H58A | 101.1° | 109.5° |
| C59 | C58 | H58 | 104.7° | 109.5° |
| C59 | C58 | H58A | 101.1° | 109.5° |
| C58 | C59 | N60 | 103.5° | 109.4° |
| C58 | C59 | H59 | 111.5° | 109.5° |
| C58 | C59 | H59A | 112.8° | 109.5° |
| H58 | C58 | H58A | 122.4° | 109.5° |
| N60 | C59 | H59 | 111.5° | 109.5° |
| N60 | C59 | H59A | 112.8° | 109.5° |
| C59 | N60 | HN60 | 122.2° | 120.0° |
| H59 | C59 | H59A | 105.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | H1 | H1A | 113.6° | 120.1° |
| C2 | C1 | H1 | C7 | 132.7° | 120.0° |
| C2 | C1 | H1A | C7 | 129.1° | 119.9° |
| C1 | C2 | O3 | N16 | 179.7° | 180.0° |
| C2 | C1 | C7 | C6 | 103.9° | 90.0° |
| C2 | C1 | C7 | C8 | 75.3° | 89.8° |
| C1 | C2 | N16 | C17 | 180.0° | 180.0° |
| C1 | C2 | N16 | HN16 | 0.0° | 0.0° |
| H1 | C1 | H1A | C7 | 115.5° | 120.0° |
| H1 | C1 | C2 | O3 | 74.0° | 120.0° |
| H1 | C1 | C7 | C6 | 16.1° | 30.0° |
| H1 | C1 | C7 | C8 | 164.7° | 150.2° |
| H1 | C1 | C2 | N16 | 106.2° | 60.0° |
| H1A | C1 | C2 | O3 | 158.0° | 119.9° |
| H1A | C1 | C7 | C6 | 144.2° | 150.0° |
| H1A | C1 | C7 | C8 | 36.6° | 30.2° |
| H1A | C1 | C2 | N16 | 21.8° | 60.0° |
| O3 | C2 | C1 | C7 | 46.1° | 0.0° |
| O3 | C2 | N16 | C17 | 0.3° | 0.0° |
| O3 | C2 | N16 | HN16 | 179.7° | 180.0° |
| C1 | C7 | C6 | C8 | 179.2° | 179.8° |
| C1 | C7 | C8 | H8 | 0.8° | 0.0° |
| C1 | C7 | C8 | C9 | 179.2° | 180.0° |
| C1 | C7 | C6 | C5 | 179.2° | 179.7° |
| C1 | C7 | C6 | H6 | 0.8° | 0.1° |
| C7 | C1 | C2 | N16 | 133.7° | 180.0° |
| C6 | C7 | C8 | H8 | 180.0° | 179.7° |
| C6 | C7 | C8 | C9 | 0.0° | 0.2° |
| C7 | C6 | C5 | C4 | 0.1° | 0.5° |
| C7 | C6 | C5 | H6 | 180.0° | 179.8° |
| C7 | C6 | C5 | H5 | 179.9° | 179.8° |
| C7 | C8 | H8 | C9 | 180.0° | 179.9° |
| C7 | C8 | C9 | C4 | 0.0° | 0.1° |
| C7 | C8 | C9 | H9 | 180.0° | 179.9° |
| C8 | C7 | C6 | C5 | 0.1° | 0.5° |
| C8 | C7 | C6 | H6 | 180.0° | 179.7° |
| H8 | C8 | C9 | C4 | 180.0° | 180.0° |
| H8 | C8 | C9 | H9 | 0.0° | 0.1° |
| C8 | C9 | C4 | H9 | 180.0° | 179.9° |
| C8 | C9 | C4 | C12 | 179.9° | 180.0° |
| C8 | C9 | C4 | C5 | 0.1° | 0.1° |
| C9 | C4 | C12 | C11 | 124.5° | 180.0° |
| C9 | C4 | C12 | C5 | 180.0° | 179.9° |
| C9 | C4 | C12 | C14 | 55.3° | 0.5° |
| C9 | C4 | C5 | C6 | 0.1° | 0.2° |
| C9 | C4 | C5 | H5 | 179.8° | 180.0° |
| H9 | C9 | C4 | C12 | 0.1° | 0.1° |
| H9 | C9 | C4 | C5 | 179.9° | 179.9° |
| C13 | C10 | H10 | C15 | 180.0° | 179.8° |
| C10 | C13 | C11 | H11 | 180.0° | 180.0° |
| C10 | C13 | C11 | C12 | 0.0° | 0.0° |
| C10 | C13 | C11 | H13 | 180.0° | 180.0° |
| C13 | C10 | C15 | C14 | 0.2° | 0.1° |
| C13 | C10 | C15 | H15 | 179.8° | 180.0° |
| H10 | C10 | C13 | C11 | 179.8° | 180.0° |
| H10 | C10 | C13 | H13 | 0.2° | 0.0° |
| H10 | C10 | C15 | C14 | 179.8° | 179.7° |
| H10 | C10 | C15 | H15 | 0.2° | 0.3° |
| H11 | C11 | C12 | C13 | 180.0° | 179.9° |
| H11 | C11 | C12 | C4 | 0.4° | 0.1° |
| H11 | C11 | C13 | H13 | 0.0° | 0.0° |
| H11 | C11 | C12 | C14 | 179.9° | 179.4° |
| C11 | C12 | C4 | C14 | 179.8° | 179.5° |
| C12 | C11 | C13 | H13 | 180.0° | 180.0° |
| C11 | C12 | C14 | H14 | 179.9° | 180.0° |
| C11 | C12 | C14 | C15 | 0.1° | 0.8° |
| C11 | C12 | C4 | C5 | 55.5° | 0.1° |
| C4 | C12 | C11 | C13 | 179.7° | 180.0° |
| C4 | C12 | C14 | H14 | 0.3° | 0.5° |
| C4 | C12 | C14 | C15 | 179.7° | 179.7° |
| C12 | C4 | C5 | C6 | 179.9° | 179.7° |
| C12 | C4 | C5 | H5 | 0.2° | 0.0° |
| C13 | C11 | C12 | C14 | 0.1° | 0.5° |
| C11 | C13 | C10 | C15 | 0.2° | 0.2° |
| H13 | C13 | C10 | C15 | 179.8° | 179.7° |
| C12 | C14 | H14 | C15 | 180.0° | 179.2° |
| C12 | C14 | C15 | C10 | 0.0° | 0.6° |
| C12 | C14 | C15 | H15 | 180.0° | 179.4° |
| C14 | C12 | C4 | C5 | 124.7° | 179.4° |
| H14 | C14 | C15 | C10 | 180.0° | 179.8° |
| H14 | C14 | C15 | H15 | 0.1° | 0.3° |
| C10 | C15 | C14 | H15 | 180.0° | 180.0° |
| C17 | C20 | H20 | H20A | 118.1° | 120.0° |
| C17 | C20 | H20 | SG2 | 123.9° | 120.0° |
| C17 | C20 | H20A | SG2 | 122.6° | 120.0° |
| C17 | C20 | SG2 | C22 | 162.6° | 180.0° |
| C20 | C17 | N16 | C2 | 102.0° | 85.0° |
| C20 | C17 | N16 | C18 | 121.3° | 120.0° |
| C20 | C17 | N16 | H17 | 118.7° | 120.0° |
| C20 | C17 | N16 | HN16 | 78.0° | 95.0° |
| C20 | C17 | C18 | H17 | 120.0° | 120.0° |
| C20 | C17 | C18 | N29 | 91.8° | 60.0° |
| C20 | C17 | C18 | O19 | 88.4° | 120.0° |
| H20 | C20 | H20A | SG2 | 118.7° | 120.0° |
| H20 | C20 | SG2 | C22 | 42.6° | 60.0° |
| H20 | C20 | C17 | N16 | 48.7° | 60.0° |
| H20 | C20 | C17 | C18 | 61.4° | 60.0° |
| H20 | C20 | C17 | H17 | 177.0° | 179.9° |
| H20A | C20 | SG2 | C22 | 79.5° | 60.0° |
| H20A | C20 | C17 | N16 | 170.8° | 180.0° |
| H20A | C20 | C17 | C18 | 60.7° | 60.0° |
| H20A | C20 | C17 | H17 | 60.9° | 60.0° |
| SG2 | C22 | H22 | H22A | 112.5° | 120.0° |
| SG2 | C22 | H22 | C23 | 135.1° | 120.0° |
| SG2 | C22 | H22A | C23 | 131.0° | 120.0° |
| SG2 | C22 | C23 | C24 | 71.2° | 90.0° |
| SG2 | C22 | C23 | C25 | 108.4° | 90.1° |
| H22 | C22 | H22A | C23 | 114.5° | 120.0° |
| H22 | C22 | C23 | C24 | 168.7° | 30.0° |
| H22 | C22 | SG2 | C20 | 67.5° | 60.0° |
| H22 | C22 | C23 | C25 | 11.6° | 149.9° |
| H22A | C22 | C23 | C24 | 38.7° | 149.9° |
| H22A | C22 | SG2 | C20 | 162.5° | 59.9° |
| H22A | C22 | C23 | C25 | 141.6° | 30.0° |
| C23 | C24 | H24 | C26 | 180.0° | 179.7° |
| C24 | C23 | C25 | C27 | 0.1° | 0.1° |
| C24 | C23 | C22 | C25 | 179.7° | 179.9° |
| C24 | C23 | C25 | H25 | 179.9° | 179.9° |
| C23 | C24 | C26 | H26 | 180.0° | 180.0° |
| C23 | C24 | C26 | C28 | 0.0° | 0.1° |
| H24 | C24 | C23 | C22 | 0.2° | 0.0° |
| H24 | C24 | C23 | C25 | 179.9° | 180.0° |
| H24 | C24 | C26 | H26 | 0.0° | 0.3° |
| H24 | C24 | C26 | C28 | 180.0° | 179.7° |
| C25 | C27 | H27 | C28 | 180.0° | 179.4° |
| C27 | C25 | C23 | C22 | 179.8° | 180.0° |
| C27 | C25 | C23 | H25 | 180.0° | 180.0° |
| C25 | C27 | C28 | C26 | 0.0° | 0.8° |
| C25 | C27 | C28 | H28 | 180.0° | 180.0° |
| H27 | C27 | C25 | C23 | 179.9° | 179.9° |
| H27 | C27 | C25 | H25 | 0.1° | 0.0° |
| H27 | C27 | C28 | C26 | 180.0° | 179.8° |
| H27 | C27 | C28 | H28 | 0.0° | 0.6° |
| C30 | N29 | HN29 | C18 | 180.0° | 180.0° |
| N29 | C30 | C38 | H30 | 114.1° | 120.0° |
| N29 | C30 | C38 | C31 | 121.8° | 120.0° |
| N29 | C30 | H30 | C31 | 122.1° | 120.0° |
| N29 | C30 | C31 | H31 | 79.8° | 175.0° |
| N29 | C30 | C31 | H31A | 154.7° | 55.0° |
| N29 | C30 | C31 | C32 | 40.2° | 65.0° |
| C30 | N29 | C18 | C17 | 179.7° | 180.0° |
| C30 | N29 | C18 | O19 | 0.1° | 0.0° |
| N29 | C30 | C38 | O39 | 156.8° | 0.0° |
| N29 | C30 | C38 | N40 | 24.3° | 180.0° |
| HN29 | N29 | C30 | C38 | 0.7° | 25.0° |
| HN29 | N29 | C30 | H30 | 123.0° | 145.0° |
| HN29 | N29 | C30 | C31 | 112.8° | 95.0° |
| HN29 | N29 | C18 | C17 | 0.3° | 0.0° |
| HN29 | N29 | C18 | O19 | 179.9° | 180.0° |
| C38 | C30 | H30 | C31 | 113.9° | 119.9° |
| C38 | C30 | C31 | H31 | 156.5° | 55.0° |
| C38 | C30 | C31 | H31A | 31.0° | 65.0° |
| C38 | C30 | C31 | C32 | 83.6° | 175.0° |
| C38 | C30 | N29 | C18 | 179.3° | 155.0° |
| C30 | C38 | O39 | N40 | 178.8° | 179.9° |
| C30 | C38 | N40 | C41 | 178.1° | 180.0° |
| C30 | C38 | N40 | HN40 | 1.9° | 0.0° |
| H30 | C30 | C31 | H31 | 34.3° | 65.0° |
| H30 | C30 | C31 | H31A | 91.2° | 175.0° |
| H30 | C30 | C31 | C32 | 154.2° | 55.0° |
| H30 | C30 | N29 | C18 | 57.0° | 35.0° |
| H30 | C30 | C38 | O39 | 42.7° | 120.0° |
| H30 | C30 | C38 | N40 | 138.4° | 60.0° |
| C30 | C31 | H31 | H31A | 115.4° | 120.0° |
| C30 | C31 | H31 | C32 | 129.2° | 120.0° |
| C30 | C31 | H31A | C32 | 126.4° | 120.0° |
| C30 | C31 | C32 | C33 | 137.7° | 180.0° |
| C30 | C31 | C32 | H32 | 17.7° | 59.9° |
| C30 | C31 | C32 | H32A | 101.9° | 60.0° |
| C31 | C30 | N29 | C18 | 67.2° | 85.0° |
| C31 | C30 | C38 | O39 | 81.5° | 120.0° |
| C31 | C30 | C38 | N40 | 97.5° | 60.0° |
| H31 | C31 | H31A | C32 | 116.8° | 120.0° |
| H31 | C31 | C32 | C33 | 102.3° | 60.0° |
| H31 | C31 | C32 | H32 | 137.7° | 179.9° |
| H31 | C31 | C32 | H32A | 18.1° | 60.0° |
| H31A | C31 | C32 | C33 | 23.2° | 60.0° |
| H31A | C31 | C32 | H32 | 96.8° | 60.1° |
| H31A | C31 | C32 | H32A | 143.5° | 180.0° |
| C31 | C32 | C33 | H32 | 120.0° | 120.0° |
| C31 | C32 | C33 | H32A | 120.4° | 120.0° |
| C31 | C32 | H32 | H32A | 120.4° | 120.0° |
| C31 | C32 | C33 | H33 | 58.3° | 60.0° |
| C31 | C32 | C33 | H33A | 69.5° | 60.1° |
| C31 | C32 | C33 | N34 | 178.3° | 180.0° |
| C33 | C32 | H32 | H32A | 120.4° | 120.0° |
| C32 | C33 | H33 | H33A | 113.8° | 120.1° |
| C32 | C33 | H33 | N34 | 132.3° | 120.0° |
| C32 | C33 | H33A | N34 | 128.8° | 120.0° |
| C32 | C33 | N34 | C35 | 93.6° | 180.0° |
| C32 | C33 | N34 | HN34 | 26.4° | 56.1° |
| H32 | C32 | C33 | H33 | 178.3° | 179.9° |
| H32 | C32 | C33 | H33A | 50.5° | 60.0° |
| H32 | C32 | C33 | N34 | 61.7° | 60.0° |
| H32A | C32 | C33 | H33 | 62.0° | 59.9° |
| H32A | C32 | C33 | H33A | 170.2° | 180.0° |
| H32A | C32 | C33 | N34 | 58.0° | 60.0° |
| H33 | C33 | H33A | N34 | 115.6° | 119.9° |
| H33 | C33 | N34 | C35 | 146.4° | 60.0° |
| H33 | C33 | N34 | HN34 | 93.6° | 176.1° |
| H33A | C33 | N34 | C35 | 18.6° | 60.0° |
| H33A | C33 | N34 | HN34 | 138.6° | 63.9° |
| N36 | C35 | N34 | C33 | 21.3° | 165.0° |
| N36 | C35 | N34 | N37 | 179.5° | 119.9° |
| N36 | C35 | N34 | H541 | 9.5° | 120.0° |
| N36 | C35 | N34 | HN34 | 141.3° | 41.1° |
| C35 | N36 | HN36 | HN3A | 120.0° | 123.9° |
| N36 | C35 | N37 | H541 | 173.6° | 120.0° |
| N36 | C35 | N37 | HN37 | 171.4° | 64.0° |
| N36 | C35 | N37 | H551 | 68.6° | 60.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.8° |
| C4 | C5 | C6 | H6 | 179.9° | 179.7° |
| H5 | C5 | C6 | H6 | 0.1° | 0.0° |
| C2 | N16 | C17 | HN16 | 180.0° | 180.0° |
| C2 | N16 | C17 | C18 | 136.7° | 155.0° |
| C2 | N16 | C17 | H17 | 16.7° | 35.0° |
| N16 | C17 | C18 | H17 | 128.0° | 119.9° |
| N16 | C17 | C18 | N29 | 156.2° | 180.0° |
| N16 | C17 | C18 | O19 | 23.6° | 0.1° |
| N16 | C17 | C20 | SG2 | 71.3° | 60.0° |
| HN16 | N16 | C17 | C18 | 43.3° | 25.0° |
| HN16 | N16 | C17 | H17 | 163.3° | 145.0° |
| C17 | C18 | N29 | O19 | 179.8° | 180.0° |
| C18 | C17 | C20 | SG2 | 178.6° | 180.0° |
| H17 | C17 | C18 | N29 | 28.2° | 60.1° |
| H17 | C17 | C18 | O19 | 151.6° | 120.0° |
| H17 | C17 | C20 | SG2 | 57.0° | 60.0° |
| C20 | SG2 | C22 | C23 | 52.5° | 180.0° |
| C22 | C23 | C25 | H25 | 0.2° | 0.0° |
| C22 | C23 | C24 | C26 | 179.8° | 179.7° |
| C25 | C23 | C24 | C26 | 0.1° | 0.4° |
| C23 | C25 | C27 | C28 | 0.0° | 0.5° |
| H25 | C25 | C27 | C28 | 180.0° | 179.5° |
| C24 | C26 | H26 | C28 | 180.0° | 180.0° |
| C24 | C26 | C28 | C27 | 0.1° | 0.5° |
| C24 | C26 | C28 | H28 | 180.0° | 179.7° |
| H26 | C26 | C28 | C27 | 179.9° | 179.4° |
| H26 | C26 | C28 | H28 | 0.0° | 0.3° |
| C27 | C28 | C26 | H28 | 180.0° | 179.2° |
| C33 | N34 | C35 | HN34 | 120.0° | 123.9° |
| C33 | N34 | C35 | N37 | 159.2° | 75.1° |
| C33 | N34 | C35 | H541 | 11.8° | 45.0° |
| N34 | C35 | N36 | HN36 | 156.3° | 180.0° |
| N34 | C35 | N36 | HN3A | 36.3° | 56.1° |
| N34 | C35 | N37 | H541 | 6.9° | 120.1° |
| N34 | C35 | N37 | HN37 | 9.0° | 176.0° |
| N34 | C35 | N37 | H551 | 111.0° | 59.9° |
| HN34 | N34 | C35 | N37 | 39.2° | 161.1° |
| HN34 | N34 | C35 | H541 | 131.8° | 78.9° |
| HN36 | N36 | C35 | N37 | 23.2° | 60.0° |
| HN36 | N36 | C35 | H541 | 160.4° | 60.0° |
| HN3A | N36 | C35 | N37 | 143.2° | 176.1° |
| HN3A | N36 | C35 | H541 | 40.4° | 63.9° |
| C35 | N37 | HN37 | H551 | 120.0° | 124.0° |
| HN37 | N37 | C35 | H541 | 2.1° | 56.0° |
| O39 | C38 | N40 | C41 | 0.7° | 0.0° |
| O39 | C38 | N40 | HN40 | 179.3° | 180.0° |
| C38 | N40 | C41 | HN40 | 180.0° | 180.0° |
| C38 | N40 | C41 | C44 | 157.3° | 85.0° |
| C38 | N40 | C41 | H41 | 38.7° | 35.0° |
| C38 | N40 | C41 | C42 | 83.1° | 155.0° |
| N40 | C41 | C44 | H41 | 119.1° | 120.0° |
| N40 | C41 | C44 | C42 | 119.1° | 120.0° |
| N40 | C41 | H41 | C42 | 118.8° | 120.0° |
| N40 | C41 | C42 | N60 | 128.8° | 180.0° |
| N40 | C41 | C42 | O43 | 52.6° | 0.1° |
| N40 | C41 | C44 | C45 | 178.2° | 65.0° |
| N40 | C41 | C44 | H44 | 61.7° | 55.0° |
| N40 | C41 | C44 | H44A | 59.0° | 175.0° |
| HN40 | N40 | C41 | C44 | 22.7° | 95.0° |
| HN40 | N40 | C41 | H41 | 141.3° | 145.0° |
| HN40 | N40 | C41 | C42 | 96.9° | 25.0° |
| C44 | C41 | H41 | C42 | 119.3° | 120.0° |
| C44 | C41 | C42 | N60 | 109.0° | 60.0° |
| C44 | C41 | C42 | O43 | 69.6° | 120.0° |
| C41 | C44 | C45 | H44 | 120.0° | 120.0° |
| C41 | C44 | C45 | H44A | 119.2° | 120.0° |
| C41 | C44 | H44 | H44A | 119.3° | 120.0° |
| C41 | C44 | C45 | C47 | 90.2° | 90.0° |
| C41 | C44 | C45 | C46 | 89.5° | 89.7° |
| H41 | C41 | C42 | N60 | 9.6° | 60.0° |
| H41 | C41 | C42 | O43 | 171.8° | 120.0° |
| H41 | C41 | C44 | C45 | 62.6° | 55.0° |
| H41 | C41 | C44 | H44 | 57.4° | 175.0° |
| H41 | C41 | C44 | H44A | 178.2° | 65.0° |
| C41 | C42 | N60 | O43 | 178.3° | 180.0° |
| C42 | C41 | C44 | C45 | 59.1° | 175.0° |
| C42 | C41 | C44 | H44 | 179.2° | 65.0° |
| C42 | C41 | C44 | H44A | 60.1° | 55.0° |
| C41 | C42 | N60 | C59 | 178.3° | 180.0° |
| C41 | C42 | N60 | HN60 | 1.7° | 0.0° |
| C42 | N60 | C59 | C58 | 100.0° | 180.0° |
| C42 | N60 | C59 | HN60 | 180.0° | 180.0° |
| C42 | N60 | C59 | H59 | 20.0° | 60.0° |
| C42 | N60 | C59 | H59A | 137.8° | 60.0° |
| O43 | C42 | N60 | C59 | 0.0° | 0.0° |
| O43 | C42 | N60 | HN60 | 180.0° | 180.0° |
| C45 | C44 | H44 | H44A | 119.2° | 120.0° |
| C44 | C45 | C47 | C46 | 179.6° | 179.8° |
| C44 | C45 | C46 | C48 | 179.6° | 180.0° |
| C44 | C45 | C46 | H46 | 0.4° | 0.0° |
| C44 | C45 | C47 | C49 | 179.5° | 180.0° |
| C44 | C45 | C47 | H47 | 0.5° | 0.0° |
| H44 | C44 | C45 | C47 | 149.8° | 30.0° |
| H44 | C44 | C45 | C46 | 30.6° | 150.2° |
| H44A | C44 | C45 | C47 | 29.1° | 150.0° |
| H44A | C44 | C45 | C46 | 151.3° | 30.3° |
| C47 | C45 | C46 | C48 | 0.1° | 0.2° |
| C47 | C45 | C46 | H46 | 179.9° | 179.8° |
| C45 | C47 | C49 | H47 | 180.0° | 180.0° |
| C45 | C47 | C49 | C50 | 0.1° | 0.1° |
| C45 | C47 | C49 | H49 | 179.9° | 179.9° |
| C45 | C46 | C48 | H46 | 180.0° | 180.0° |
| C46 | C45 | C47 | C49 | 0.2° | 0.2° |
| C46 | C45 | C47 | H47 | 179.9° | 179.7° |
| C45 | C46 | C48 | C50 | 0.1° | 0.0° |
| C45 | C46 | C48 | H48 | 179.9° | 180.0° |
| C46 | C48 | C50 | H48 | 180.0° | 179.9° |
| C46 | C48 | C50 | C49 | 0.2° | 0.1° |
| C46 | C48 | C50 | O51 | 179.7° | 180.0° |
| H46 | C46 | C48 | C50 | 179.9° | 180.0° |
| H46 | C46 | C48 | H48 | 0.1° | 0.1° |
| C47 | C49 | C50 | C48 | 0.1° | 0.1° |
| C47 | C49 | C50 | H49 | 180.0° | 179.9° |
| C47 | C49 | C50 | O51 | 179.8° | 180.0° |
| H47 | C47 | C49 | C50 | 180.0° | 179.9° |
| H47 | C47 | C49 | H49 | 0.1° | 0.0° |
| C48 | C50 | C49 | O51 | 179.9° | 179.9° |
| C48 | C50 | C49 | H49 | 179.9° | 179.7° |
| C48 | C50 | O51 | HO51 | 179.3° | 90.1° |
| H48 | C48 | C50 | C49 | 179.8° | 179.8° |
| H48 | C48 | C50 | O51 | 0.2° | 0.1° |
| C49 | C50 | O51 | HO51 | 0.8° | 89.8° |
| H49 | C49 | C50 | O51 | 0.2° | 0.1° |
| C52 | C53 | C54 | H53 | 180.0° | 179.9° |
| C52 | C53 | C54 | H54 | 179.9° | 180.0° |
| C52 | C53 | C54 | C55 | 0.1° | 0.0° |
| C53 | C52 | C57 | C58 | 180.0° | 179.7° |
| C53 | C52 | C57 | C56 | 0.1° | 0.0° |
| C53 | C52 | C57 | H57 | 179.9° | 180.0° |
| C53 | C52 | C58 | C59 | 45.0° | 90.1° |
| C53 | C52 | C58 | H58 | 165.1° | 150.0° |
| C53 | C52 | C58 | H58A | 66.9° | 29.9° |
| C53 | C54 | H54 | C55 | 180.0° | 180.0° |
| C53 | C54 | C55 | H55 | 180.0° | 180.0° |
| C53 | C54 | C55 | C56 | 0.0° | 0.0° |
| C54 | C53 | C52 | C57 | 0.0° | 0.1° |
| C54 | C53 | C52 | C58 | 180.0° | 179.7° |
| H53 | C53 | C54 | H54 | 0.1° | 0.1° |
| H53 | C53 | C54 | C55 | 179.9° | 179.9° |
| H53 | C53 | C52 | C57 | 180.0° | 180.0° |
| H53 | C53 | C52 | C58 | 0.0° | 0.4° |
| H54 | C54 | C55 | H55 | 0.0° | 0.0° |
| H54 | C54 | C55 | C56 | 180.0° | 180.0° |
| C54 | C55 | H55 | C56 | 180.0° | 180.0° |
| C54 | C55 | C56 | H56 | 179.9° | 180.0° |
| C54 | C55 | C56 | C57 | 0.1° | 0.1° |
| H55 | C55 | C56 | H56 | 0.1° | 0.0° |
| H55 | C55 | C56 | C57 | 179.9° | 180.0° |
| C55 | C56 | H56 | C57 | 180.0° | 179.9° |
| C55 | C56 | C57 | C52 | 0.1° | 0.0° |
| C55 | C56 | C57 | H57 | 179.9° | 179.9° |
| H56 | C56 | C57 | C52 | 179.9° | 180.0° |
| H56 | C56 | C57 | H57 | 0.1° | 0.0° |
| C52 | C57 | C56 | H57 | 180.0° | 179.9° |
| C57 | C52 | C58 | C59 | 134.9° | 90.3° |
| C57 | C52 | C58 | H58 | 14.9° | 29.7° |
| C57 | C52 | C58 | H58A | 113.1° | 149.7° |
| C56 | C57 | C52 | C58 | 179.9° | 179.7° |
| H57 | C57 | C52 | C58 | 0.1° | 0.4° |
| C52 | C58 | C59 | H58 | 120.0° | 120.0° |
| C52 | C58 | C59 | H58A | 112.0° | 120.0° |
| C52 | C58 | H58 | H58A | 113.7° | 120.1° |
| C52 | C58 | C59 | N60 | 66.1° | 180.0° |
| C52 | C58 | C59 | H59 | 173.9° | 60.0° |
| C52 | C58 | C59 | H59A | 56.1° | 60.0° |
| C59 | C58 | H58 | H58A | 113.7° | 120.0° |
| C58 | C59 | N60 | H59 | 120.0° | 120.0° |
| C58 | C59 | N60 | H59A | 122.2° | 120.0° |
| C58 | C59 | H59 | H59A | 122.4° | 120.0° |
| C58 | C59 | N60 | HN60 | 80.0° | 0.0° |
| H58 | C58 | C59 | N60 | 53.9° | 60.0° |
| H58 | C58 | C59 | H59 | 66.1° | 180.0° |
| H58 | C58 | C59 | H59A | 176.1° | 60.0° |
| H58A | C58 | C59 | N60 | 178.0° | 60.0° |
| H58A | C58 | C59 | H59 | 62.0° | 60.0° |
| H58A | C58 | C59 | H59A | 55.9° | 180.0° |
| N60 | C59 | H59 | H59A | 122.4° | 120.0° |
| H59 | C59 | N60 | HN60 | 160.0° | 119.9° |
| H59A | C59 | N60 | HN60 | 42.2° | 120.0° |
| H541 | C35 | N37 | H551 | 117.9° | 180.0° |
