A1AUO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C16 | sing | 1.51Å | 1.54Å | |
| C15 | N14 | sing | 1.46Å | 1.46Å | |
| C21 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| O13 | C12 | doub | 1.21Å | 1.18Å | |
| N14 | C12 | sing | 1.35Å | 1.46Å | |
| C20 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.51Å | 1.53Å | |
| C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| CL61 | C58 | sing | 1.74Å | 1.78Å | |
| C19 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C22 | sing | 1.51Å | 1.54Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C58 | C57 | doub | 1.38Å | 1.38Å | Aromatic |
| C58 | C59 | sing | 1.39Å | 1.38Å | Aromatic |
| C57 | C56 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | N23 | sing | 1.47Å | 1.21Å | |
| C59 | C60 | doub | 1.38Å | 1.38Å | Aromatic |
| C56 | C55 | doub | 1.39Å | 1.39Å | Aromatic |
| C28 | N23 | sing | 1.47Å | 1.43Å | |
| C28 | C27 | sing | 1.53Å | 1.53Å | |
| N09 | C10 | sing | 1.46Å | 1.44Å | |
| N09 | C08 | doub | 1.29Å | 1.44Å | |
| N23 | C24 | sing | 1.47Å | 1.43Å | |
| C60 | C55 | sing | 1.39Å | 1.38Å | Aromatic |
| C10 | C49 | sing | 1.51Å | 1.56Å | |
| C55 | C08 | sing | 1.48Å | 1.53Å | |
| C27 | C26 | sing | 1.53Å | 1.45Å | |
| N50 | C49 | doub | 1.30Å | 1.35Å | Aromatic |
| N50 | N51 | sing | 1.29Å | 1.38Å | Aromatic |
| C08 | C05 | sing | 1.48Å | 1.55Å | |
| C49 | N53 | sing | 1.36Å | 1.32Å | Aromatic |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| N51 | C52 | doub | 1.31Å | 1.34Å | Aromatic |
| C26 | C25 | sing | 1.53Å | 1.45Å | |
| C26 | O29 | sing | 1.43Å | 1.41Å | |
| N53 | C52 | sing | 1.35Å | 1.39Å | Aromatic |
| N53 | C04 | sing | 1.40Å | 1.39Å | |
| C05 | C04 | doub | 1.38Å | 1.39Å | Aromatic |
| C05 | C06 | sing | 1.45Å | 1.44Å | Aromatic |
| C52 | C54 | sing | 1.51Å | 1.53Å | |
| O29 | C30 | sing | 1.36Å | 1.42Å | |
| C04 | S03 | sing | 1.71Å | 1.76Å | Aromatic |
| C07 | C06 | sing | 1.51Å | 1.53Å | |
| C06 | C02 | doub | 1.32Å | 1.39Å | Aromatic |
| C30 | C35 | doub | 1.39Å | 1.41Å | Aromatic |
| C30 | C31 | sing | 1.39Å | 1.41Å | Aromatic |
| C35 | C34 | sing | 1.39Å | 1.42Å | Aromatic |
| S03 | C02 | sing | 1.75Å | 1.73Å | Aromatic |
| C02 | C01 | sing | 1.51Å | 1.53Å | |
| C31 | C32 | doub | 1.38Å | 1.41Å | Aromatic |
| C34 | N36 | sing | 1.40Å | 1.50Å | |
| C34 | C33 | doub | 1.40Å | 1.39Å | Aromatic |
| N36 | C37 | sing | 1.35Å | 1.45Å | |
| C32 | C33 | sing | 1.38Å | 1.43Å | Aromatic |
| C40 | C41 | sing | 1.55Å | 1.37Å | |
| C40 | C39 | sing | 1.54Å | 1.68Å | |
| C33 | N44 | sing | 1.41Å | 1.46Å | |
| C37 | O38 | doub | 1.21Å | 1.19Å | |
| C37 | C39 | sing | 1.50Å | 1.57Å | |
| C41 | C42 | sing | 1.55Å | 1.61Å | |
| C39 | N44 | sing | 1.47Å | 1.45Å | |
| C39 | C43 | sing | 1.54Å | 1.39Å | |
| N44 | C45 | sing | 1.35Å | 1.47Å | |
| C43 | C42 | sing | 1.54Å | 1.60Å | |
| C45 | O46 | doub | 1.21Å | 1.18Å | |
| C45 | C47 | sing | 1.51Å | 1.53Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.08Å | 1.08Å | |
| C20 | H5 | sing | 1.08Å | 1.08Å | |
| C21 | H6 | sing | 1.08Å | 1.08Å | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C26 | H11 | sing | 1.09Å | 1.10Å | |
| C28 | H12 | sing | 1.09Å | 1.10Å | |
| C28 | H13 | sing | 1.09Å | 1.10Å | |
| C01 | H14 | sing | 1.09Å | 1.10Å | |
| C01 | H15 | sing | 1.09Å | 1.10Å | |
| C01 | H16 | sing | 1.09Å | 1.10Å | |
| C07 | H17 | sing | 1.09Å | 1.10Å | |
| C07 | H18 | sing | 1.09Å | 1.10Å | |
| C07 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| C11 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.08Å | 1.08Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C31 | H28 | sing | 1.08Å | 1.08Å | |
| C32 | H29 | sing | 1.08Å | 1.08Å | |
| C35 | H30 | sing | 1.08Å | 1.08Å | |
| C40 | H31 | sing | 1.09Å | 1.10Å | |
| C40 | H32 | sing | 1.09Å | 1.10Å | |
| C41 | H33 | sing | 1.09Å | 1.10Å | |
| C41 | H34 | sing | 1.09Å | 1.10Å | |
| C42 | H35 | sing | 1.09Å | 1.10Å | |
| C42 | H36 | sing | 1.09Å | 1.10Å | |
| C43 | H37 | sing | 1.09Å | 1.10Å | |
| C43 | H38 | sing | 1.09Å | 1.10Å | |
| C47 | H39 | sing | 1.09Å | 1.10Å | |
| C47 | H40 | sing | 1.09Å | 1.10Å | |
| C54 | H42 | sing | 1.09Å | 1.10Å | |
| C54 | H43 | sing | 1.09Å | 1.10Å | |
| C54 | H44 | sing | 1.09Å | 1.10Å | |
| C56 | H45 | sing | 1.08Å | 1.08Å | |
| C57 | H46 | sing | 1.08Å | 1.08Å | |
| C59 | H47 | sing | 1.08Å | 1.08Å | |
| C60 | H48 | sing | 1.08Å | 1.08Å | |
| N14 | H51 | sing | 0.97Å | 1.00Å | |
| N36 | H53 | sing | 0.97Å | 1.00Å | |
| C47 | CL1 | sing | 1.80Å | 1.50Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | C15 | N14 | 109.7° | 109.5° |
| C15 | C16 | C21 | 119.7° | 120.0° |
| C15 | C16 | C17 | 120.3° | 119.9° |
| C16 | C15 | H2 | 109.4° | 109.5° |
| C16 | C15 | H3 | 109.4° | 109.4° |
| C15 | N14 | C12 | 120.0° | 120.0° |
| N14 | C15 | H2 | 109.4° | 109.5° |
| N14 | C15 | H3 | 109.4° | 109.5° |
| C15 | N14 | H51 | 120.0° | 120.0° |
| C16 | C21 | C20 | 119.9° | 120.0° |
| C21 | C16 | C17 | 120.1° | 120.0° |
| C16 | C21 | H6 | 120.1° | 120.0° |
| C21 | C20 | C19 | 120.0° | 120.0° |
| C21 | C20 | H5 | 120.0° | 120.0° |
| C20 | C21 | H6 | 120.0° | 120.0° |
| C16 | C17 | C18 | 120.0° | 120.0° |
| C16 | C17 | H4 | 120.0° | 120.0° |
| O13 | C12 | N14 | 120.0° | 120.0° |
| O13 | C12 | C11 | 120.0° | 119.9° |
| N14 | C12 | C11 | 120.0° | 120.1° |
| C12 | N14 | H51 | 120.0° | 120.0° |
| C20 | C19 | C18 | 120.2° | 120.0° |
| C20 | C19 | C22 | 119.3° | 120.0° |
| C19 | C20 | H5 | 120.0° | 120.0° |
| C12 | C11 | C10 | 113.1° | 109.5° |
| C12 | C11 | H21 | 108.6° | 109.5° |
| C12 | C11 | H22 | 108.6° | 109.5° |
| C17 | C18 | C19 | 119.8° | 120.0° |
| C18 | C17 | H4 | 120.0° | 120.0° |
| C17 | C18 | H23 | 120.1° | 120.0° |
| CL61 | C58 | C57 | 120.0° | 119.9° |
| CL61 | C58 | C59 | 119.9° | 119.8° |
| C18 | C19 | C22 | 120.5° | 120.0° |
| C19 | C18 | H23 | 120.1° | 120.0° |
| C19 | C22 | N23 | 106.1° | 109.5° |
| C19 | C22 | H7 | 110.3° | 109.5° |
| C19 | C22 | H8 | 110.3° | 109.5° |
| C11 | C10 | N09 | 109.9° | 109.6° |
| C11 | C10 | C49 | 109.1° | 109.5° |
| C11 | C10 | H1 | 110.1° | 109.5° |
| C10 | C11 | H21 | 108.6° | 109.4° |
| C10 | C11 | H22 | 108.6° | 109.5° |
| C57 | C58 | C59 | 120.1° | 120.2° |
| C58 | C57 | C56 | 119.9° | 120.1° |
| C58 | C57 | H46 | 120.0° | 119.9° |
| C58 | C59 | C60 | 120.1° | 120.1° |
| C58 | C59 | H47 | 120.0° | 120.0° |
| C57 | C56 | C55 | 120.0° | 119.9° |
| C57 | C56 | H45 | 120.0° | 120.1° |
| C56 | C57 | H46 | 120.0° | 120.0° |
| C22 | N23 | C28 | 113.3° | 111.0° |
| C22 | N23 | C24 | 111.6° | 111.0° |
| N23 | C22 | H7 | 110.3° | 109.5° |
| N23 | C22 | H8 | 110.3° | 109.4° |
| C59 | C60 | C55 | 119.9° | 119.9° |
| C60 | C59 | H47 | 120.0° | 119.9° |
| C59 | C60 | H48 | 120.0° | 120.0° |
| C56 | C55 | C60 | 120.0° | 119.8° |
| C56 | C55 | C08 | 120.0° | 120.1° |
| C55 | C56 | H45 | 120.0° | 120.1° |
| N23 | C28 | C27 | 109.7° | 109.6° |
| C28 | N23 | C24 | 111.4° | 111.2° |
| N23 | C28 | H12 | 109.4° | 109.4° |
| N23 | C28 | H13 | 109.4° | 109.5° |
| C28 | C27 | C26 | 113.8° | 109.3° |
| C27 | C28 | H12 | 109.4° | 109.5° |
| C27 | C28 | H13 | 109.4° | 109.5° |
| C28 | C27 | H26 | 108.4° | 109.6° |
| C28 | C27 | H27 | 108.4° | 109.5° |
| C10 | N09 | C08 | 127.7° | 122.5° |
| N09 | C10 | C49 | 107.0° | 109.1° |
| N09 | C10 | H1 | 111.3° | 109.6° |
| N09 | C08 | C55 | 115.0° | 117.0° |
| N09 | C08 | C05 | 119.3° | 125.9° |
| N23 | C24 | C25 | 109.8° | 109.5° |
| N23 | C24 | H9 | 109.4° | 109.5° |
| N23 | C24 | H10 | 109.4° | 109.5° |
| C60 | C55 | C08 | 119.9° | 120.1° |
| C55 | C60 | H48 | 120.1° | 120.1° |
| C10 | C49 | N50 | 127.6° | 127.8° |
| C10 | C49 | N53 | 121.2° | 125.1° |
| C49 | C10 | H1 | 109.5° | 109.6° |
| C55 | C08 | C05 | 123.9° | 117.1° |
| C27 | C26 | C25 | 115.0° | 109.2° |
| C27 | C26 | O29 | 109.3° | 109.5° |
| C27 | C26 | H11 | 107.3° | 109.6° |
| C26 | C27 | H26 | 108.4° | 109.5° |
| C26 | C27 | H27 | 108.4° | 109.5° |
| C49 | N50 | N51 | 105.9° | 109.7° |
| N50 | C49 | N53 | 111.1° | 107.1° |
| N50 | N51 | C52 | 108.4° | 110.0° |
| C08 | C05 | C04 | 119.2° | 124.8° |
| C08 | C05 | C06 | 126.4° | 123.4° |
| C49 | N53 | C52 | 106.4° | 106.5° |
| C49 | N53 | C04 | 127.4° | 124.5° |
| C24 | C25 | C26 | 114.0° | 109.3° |
| C25 | C24 | H9 | 109.4° | 109.4° |
| C25 | C24 | H10 | 109.4° | 109.5° |
| C24 | C25 | H24 | 108.4° | 109.5° |
| C24 | C25 | H25 | 108.3° | 109.5° |
| N51 | C52 | N53 | 108.2° | 106.8° |
| N51 | C52 | C54 | 120.5° | 126.6° |
| C25 | C26 | O29 | 110.1° | 109.5° |
| C25 | C26 | H11 | 107.3° | 109.6° |
| C26 | C25 | H24 | 108.3° | 109.5° |
| C26 | C25 | H25 | 108.4° | 109.5° |
| C26 | O29 | C30 | 110.4° | 117.0° |
| O29 | C26 | H11 | 107.7° | 109.5° |
| C52 | N53 | C04 | 126.1° | 129.0° |
| N53 | C52 | C54 | 131.3° | 126.6° |
| N53 | C04 | C05 | 134.1° | 124.0° |
| N53 | C04 | S03 | 120.1° | 124.9° |
| C04 | C05 | C06 | 114.4° | 111.7° |
| C05 | C04 | S03 | 105.8° | 111.0° |
| C05 | C06 | C07 | 126.7° | 123.0° |
| C05 | C06 | C02 | 116.0° | 113.9° |
| C52 | C54 | H42 | 109.5° | 109.5° |
| C52 | C54 | H43 | 109.5° | 109.4° |
| C52 | C54 | H44 | 109.5° | 109.5° |
| O29 | C30 | C35 | 120.7° | 119.9° |
| O29 | C30 | C31 | 119.9° | 119.8° |
| C04 | S03 | C02 | 97.7° | 92.6° |
| C07 | C06 | C02 | 117.3° | 123.0° |
| C06 | C07 | H17 | 109.5° | 109.5° |
| C06 | C07 | H18 | 109.5° | 109.5° |
| C06 | C07 | H19 | 109.5° | 109.5° |
| C06 | C02 | S03 | 106.1° | 110.7° |
| C06 | C02 | C01 | 126.9° | 124.7° |
| C35 | C30 | C31 | 119.4° | 120.3° |
| C30 | C35 | C34 | 120.4° | 119.8° |
| C30 | C35 | H30 | 119.8° | 120.1° |
| C30 | C31 | C32 | 120.3° | 120.1° |
| C30 | C31 | H28 | 119.9° | 120.0° |
| C35 | C34 | N36 | 120.2° | 120.5° |
| C35 | C34 | C33 | 120.3° | 119.6° |
| C34 | C35 | H30 | 119.8° | 120.1° |
| S03 | C02 | C01 | 126.9° | 124.7° |
| C02 | C01 | H14 | 109.5° | 109.5° |
| C02 | C01 | H15 | 109.5° | 109.5° |
| C02 | C01 | H16 | 109.5° | 109.5° |
| C31 | C32 | C33 | 120.2° | 119.8° |
| C32 | C31 | H28 | 119.9° | 119.9° |
| C31 | C32 | H29 | 119.9° | 120.1° |
| N36 | C34 | C33 | 119.6° | 119.8° |
| C34 | N36 | C37 | 119.4° | 120.7° |
| C34 | N36 | H53 | 120.3° | 119.6° |
| C34 | C33 | C32 | 119.5° | 120.4° |
| C34 | C33 | N44 | 117.2° | 118.8° |
| N36 | C37 | O38 | 122.5° | 119.7° |
| N36 | C37 | C39 | 112.8° | 120.7° |
| C37 | N36 | H53 | 120.3° | 119.7° |
| C32 | C33 | N44 | 123.3° | 120.9° |
| C33 | C32 | H29 | 119.9° | 120.1° |
| C41 | C40 | C39 | 106.7° | 104.1° |
| C40 | C41 | C42 | 103.9° | 102.8° |
| C41 | C40 | H31 | 110.1° | 110.5° |
| C41 | C40 | H32 | 110.2° | 110.5° |
| C40 | C41 | H33 | 110.9° | 110.8° |
| C40 | C41 | H34 | 110.8° | 110.8° |
| C40 | C39 | C37 | 131.2° | 109.9° |
| C40 | C39 | N44 | 92.1° | 109.7° |
| C40 | C39 | C43 | 104.0° | 107.0° |
| C39 | C40 | H31 | 110.1° | 110.5° |
| C39 | C40 | H32 | 110.1° | 110.5° |
| C33 | N44 | C39 | 112.2° | 117.9° |
| C33 | N44 | C45 | 119.9° | 121.0° |
| O38 | C37 | C39 | 124.7° | 119.6° |
| C37 | C39 | N44 | 110.4° | 110.0° |
| C37 | C39 | C43 | 92.1° | 110.2° |
| C41 | C42 | C43 | 104.9° | 104.2° |
| C42 | C41 | H33 | 110.8° | 110.7° |
| C42 | C41 | H34 | 110.8° | 110.7° |
| C41 | C42 | H35 | 110.6° | 110.5° |
| C41 | C42 | H36 | 110.6° | 110.5° |
| N44 | C39 | C43 | 132.4° | 110.0° |
| C39 | N44 | C45 | 127.8° | 121.0° |
| C39 | C43 | C42 | 107.8° | 106.5° |
| C39 | C43 | H37 | 109.9° | 110.1° |
| C39 | C43 | H38 | 109.9° | 110.1° |
| N44 | C45 | O46 | 119.1° | 120.0° |
| N44 | C45 | C47 | 125.1° | 120.0° |
| C43 | C42 | H35 | 110.6° | 110.5° |
| C43 | C42 | H36 | 110.6° | 110.6° |
| C42 | C43 | H37 | 109.9° | 110.0° |
| C42 | C43 | H38 | 109.9° | 110.1° |
| O46 | C45 | C47 | 115.8° | 120.0° |
| C45 | C47 | H39 | 114.3° | 109.5° |
| C45 | C47 | H40 | 114.3° | 109.4° |
| C45 | C47 | CL1 | 89.1° | 109.5° |
| H2 | C15 | H3 | 109.5° | 109.5° |
| H7 | C22 | H8 | 109.4° | 109.5° |
| H9 | C24 | H10 | 109.5° | 109.5° |
| H12 | C28 | H13 | 109.5° | 109.4° |
| H14 | C01 | H15 | 109.5° | 109.4° |
| H14 | C01 | H16 | 109.5° | 109.5° |
| H15 | C01 | H16 | 109.5° | 109.5° |
| H17 | C07 | H18 | 109.4° | 109.5° |
| H17 | C07 | H19 | 109.5° | 109.5° |
| H18 | C07 | H19 | 109.5° | 109.5° |
| H21 | C11 | H22 | 109.5° | 109.4° |
| H24 | C25 | H25 | 109.5° | 109.5° |
| H26 | C27 | H27 | 109.5° | 109.5° |
| H31 | C40 | H32 | 109.5° | 110.6° |
| H33 | C41 | H34 | 109.5° | 110.8° |
| H35 | C42 | H36 | 109.5° | 110.4° |
| H37 | C43 | H38 | 109.5° | 110.1° |
| H39 | C47 | H40 | 109.5° | 109.5° |
| H39 | C47 | CL1 | 114.3° | 109.5° |
| H40 | C47 | CL1 | 114.3° | 109.4° |
| H42 | C54 | H43 | 109.4° | 109.4° |
| H42 | C54 | H44 | 109.5° | 109.5° |
| H43 | C54 | H44 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C15 | N14 | H2 | 120.1° | 120.0° |
| C16 | C15 | N14 | H3 | 120.0° | 119.9° |
| C15 | C16 | C21 | C17 | 179.8° | 180.0° |
| C15 | C16 | C21 | C20 | 179.8° | 179.5° |
| C16 | C15 | N14 | C12 | 75.0° | 179.9° |
| C15 | C16 | C17 | C18 | 179.9° | 180.0° |
| C16 | C15 | H2 | H3 | 119.9° | 119.9° |
| C15 | C16 | C17 | H4 | 0.1° | 0.3° |
| C15 | C16 | C21 | H6 | 0.2° | 0.1° |
| C16 | C15 | N14 | H51 | 105.0° | 0.0° |
| N14 | C15 | C16 | C21 | 104.2° | 90.0° |
| N14 | C15 | C16 | C17 | 75.6° | 90.0° |
| C15 | N14 | C12 | O13 | 0.1° | 0.1° |
| C15 | N14 | C12 | H51 | 180.0° | 179.9° |
| C15 | N14 | C12 | C11 | 179.9° | 180.0° |
| N14 | C15 | H2 | H3 | 119.9° | 120.0° |
| C16 | C21 | C20 | H6 | 180.0° | 179.5° |
| C16 | C21 | C20 | C19 | 0.3° | 0.8° |
| C21 | C16 | C17 | C18 | 0.1° | 0.0° |
| C21 | C16 | C15 | H2 | 135.8° | 150.0° |
| C21 | C16 | C15 | H3 | 15.8° | 30.0° |
| C21 | C16 | C17 | H4 | 179.9° | 179.8° |
| C16 | C21 | C20 | H5 | 179.7° | 179.8° |
| C20 | C21 | C16 | C17 | 0.0° | 0.5° |
| C21 | C20 | C19 | H5 | 180.0° | 179.4° |
| C21 | C20 | C19 | C18 | 0.5° | 0.5° |
| C21 | C20 | C19 | C22 | 179.7° | 180.0° |
| C16 | C17 | C18 | H4 | 180.0° | 179.7° |
| C16 | C17 | C18 | C19 | 0.1° | 0.3° |
| C17 | C16 | C15 | H2 | 44.4° | 30.0° |
| C17 | C16 | C15 | H3 | 164.4° | 150.0° |
| C17 | C16 | C21 | H6 | 180.0° | 180.0° |
| C16 | C17 | C18 | H23 | 179.9° | 179.7° |
| O13 | C12 | N14 | C11 | 179.8° | 179.9° |
| O13 | C12 | C11 | C10 | 64.8° | 0.0° |
| O13 | C12 | C11 | H21 | 174.7° | 119.9° |
| O13 | C12 | C11 | H22 | 55.8° | 120.1° |
| O13 | C12 | N14 | H51 | 179.9° | 180.0° |
| N14 | C12 | C11 | C10 | 115.4° | 179.9° |
| C12 | N14 | C15 | H2 | 164.9° | 60.1° |
| C12 | N14 | C15 | H3 | 45.0° | 60.0° |
| N14 | C12 | C11 | H21 | 5.2° | 60.0° |
| N14 | C12 | C11 | H22 | 124.1° | 60.0° |
| C20 | C19 | C18 | C17 | 0.4° | 0.0° |
| C20 | C19 | C18 | C22 | 179.2° | 179.4° |
| C20 | C19 | C22 | N23 | 63.7° | 90.0° |
| C19 | C20 | C21 | H6 | 179.7° | 179.7° |
| C20 | C19 | C22 | H7 | 55.8° | 150.0° |
| C20 | C19 | C22 | H8 | 176.8° | 30.0° |
| C20 | C19 | C18 | H23 | 179.6° | 180.0° |
| C12 | C11 | C10 | H21 | 120.5° | 120.0° |
| C12 | C11 | C10 | H22 | 120.5° | 120.0° |
| C12 | C11 | C10 | N09 | 63.2° | 65.3° |
| C12 | C11 | C10 | C49 | 179.9° | 175.0° |
| C12 | C11 | C10 | H1 | 59.7° | 54.9° |
| C12 | C11 | H21 | H22 | 118.4° | 120.0° |
| C11 | C12 | N14 | H51 | 0.1° | 0.1° |
| C17 | C18 | C19 | H23 | 180.0° | 180.0° |
| C17 | C18 | C19 | C22 | 179.6° | 179.5° |
| CL61 | C58 | C57 | C59 | 179.9° | 180.0° |
| CL61 | C58 | C57 | C56 | 179.9° | 180.0° |
| CL61 | C58 | C59 | C60 | 180.0° | 179.7° |
| CL61 | C58 | C57 | H46 | 0.1° | 0.0° |
| CL61 | C58 | C59 | H47 | 0.0° | 0.0° |
| C18 | C19 | C22 | N23 | 115.5° | 90.6° |
| C19 | C18 | C17 | H4 | 179.9° | 180.0° |
| C18 | C19 | C20 | H5 | 179.5° | 180.0° |
| C18 | C19 | C22 | H7 | 125.0° | 29.4° |
| C18 | C19 | C22 | H8 | 4.0° | 149.5° |
| C19 | C22 | N23 | H7 | 119.5° | 120.0° |
| C19 | C22 | N23 | H8 | 119.5° | 120.0° |
| C19 | C22 | N23 | C28 | 131.3° | 170.0° |
| C19 | C22 | N23 | C24 | 102.0° | 65.8° |
| C22 | C19 | C20 | H5 | 0.3° | 0.6° |
| C19 | C22 | H7 | H8 | 121.5° | 120.0° |
| C22 | C19 | C18 | H23 | 0.4° | 0.6° |
| C11 | C10 | N09 | C49 | 118.2° | 119.9° |
| C11 | C10 | N09 | H1 | 122.2° | 120.1° |
| C11 | C10 | N09 | C08 | 167.1° | 57.4° |
| C11 | C10 | C49 | H1 | 120.5° | 120.1° |
| C11 | C10 | C49 | N50 | 2.7° | 119.5° |
| C11 | C10 | C49 | N53 | 175.7° | 60.5° |
| C10 | C11 | H21 | H22 | 118.4° | 120.0° |
| C58 | C57 | C56 | H46 | 180.0° | 180.0° |
| C57 | C58 | C59 | C60 | 0.1° | 0.3° |
| C58 | C57 | C56 | C55 | 0.1° | 0.0° |
| C58 | C57 | C56 | H45 | 179.9° | 179.9° |
| C57 | C58 | C59 | H47 | 179.9° | 180.0° |
| C59 | C58 | C57 | C56 | 0.0° | 0.0° |
| C58 | C59 | C60 | H47 | 180.0° | 179.7° |
| C58 | C59 | C60 | C55 | 0.3° | 0.6° |
| C59 | C58 | C57 | H46 | 180.0° | 180.0° |
| C58 | C59 | C60 | H48 | 179.7° | 180.0° |
| C57 | C56 | C55 | H45 | 180.0° | 179.9° |
| C57 | C56 | C55 | C60 | 0.2° | 0.3° |
| C57 | C56 | C55 | C08 | 179.9° | 180.0° |
| C22 | N23 | C28 | C24 | 126.8° | 124.1° |
| C22 | N23 | C28 | C27 | 171.7° | 174.2° |
| C22 | N23 | C24 | C25 | 171.0° | 174.2° |
| N23 | C22 | H7 | H8 | 121.6° | 120.0° |
| C22 | N23 | C24 | H9 | 68.9° | 54.2° |
| C22 | N23 | C24 | H10 | 51.0° | 65.8° |
| C22 | N23 | C28 | H12 | 51.7° | 65.8° |
| C22 | N23 | C28 | H13 | 68.2° | 54.1° |
| C59 | C60 | C55 | C56 | 0.3° | 0.6° |
| C59 | C60 | C55 | H48 | 180.0° | 179.5° |
| C59 | C60 | C55 | C08 | 180.0° | 179.7° |
| C56 | C55 | C08 | N09 | 71.6° | 33.9° |
| C56 | C55 | C60 | C08 | 179.7° | 179.8° |
| C56 | C55 | C08 | C05 | 93.3° | 146.1° |
| C55 | C56 | C57 | H46 | 179.9° | 180.0° |
| C56 | C55 | C60 | H48 | 179.7° | 180.0° |
| N23 | C28 | C27 | H12 | 120.0° | 120.0° |
| N23 | C28 | C27 | H13 | 120.1° | 120.0° |
| N23 | C28 | C27 | C26 | 50.8° | 59.1° |
| C28 | N23 | C24 | C25 | 61.3° | 61.7° |
| C28 | N23 | C22 | H7 | 11.8° | 50.0° |
| C28 | N23 | C22 | H8 | 109.2° | 70.0° |
| C28 | N23 | C24 | H9 | 58.8° | 178.3° |
| C28 | N23 | C24 | H10 | 178.7° | 58.3° |
| N23 | C28 | H12 | H13 | 119.9° | 119.9° |
| N23 | C28 | C27 | H26 | 69.8° | 179.1° |
| N23 | C28 | C27 | H27 | 171.4° | 60.8° |
| C27 | C28 | N23 | C24 | 61.4° | 61.7° |
| C28 | C27 | C26 | H26 | 120.6° | 120.0° |
| C28 | C27 | C26 | H27 | 120.6° | 119.9° |
| C28 | C27 | C26 | C25 | 41.9° | 57.6° |
| C28 | C27 | C26 | O29 | 82.5° | 62.3° |
| C28 | C27 | C26 | H11 | 161.1° | 177.6° |
| C27 | C28 | H12 | H13 | 119.9° | 120.0° |
| C28 | C27 | H26 | H27 | 118.0° | 120.1° |
| N09 | C10 | C49 | H1 | 120.7° | 120.0° |
| C10 | N09 | C08 | C55 | 141.9° | 175.2° |
| N09 | C10 | C49 | N50 | 121.4° | 120.5° |
| C10 | N09 | C08 | C05 | 23.7° | 4.8° |
| N09 | C10 | C49 | N53 | 56.9° | 59.4° |
| N09 | C10 | C11 | H21 | 176.3° | 54.7° |
| N09 | C10 | C11 | H22 | 57.4° | 174.6° |
| N09 | C08 | C55 | C60 | 108.1° | 145.9° |
| C08 | N09 | C10 | C49 | 74.7° | 62.5° |
| N09 | C08 | C55 | C05 | 164.9° | 180.0° |
| N09 | C08 | C05 | C04 | 22.9° | 37.9° |
| N09 | C08 | C05 | C06 | 157.5° | 143.9° |
| C08 | N09 | C10 | H1 | 44.9° | 177.5° |
| N23 | C24 | C25 | H9 | 120.1° | 120.0° |
| N23 | C24 | C25 | H10 | 120.0° | 120.0° |
| N23 | C24 | C25 | C26 | 50.5° | 59.2° |
| C24 | N23 | C22 | H7 | 138.6° | 174.2° |
| C24 | N23 | C22 | H8 | 17.5° | 54.2° |
| N23 | C24 | H9 | H10 | 119.8° | 120.0° |
| C24 | N23 | C28 | H12 | 178.6° | 58.3° |
| C24 | N23 | C28 | H13 | 58.6° | 178.2° |
| N23 | C24 | C25 | H24 | 171.1° | 179.2° |
| N23 | C24 | C25 | H25 | 70.2° | 60.8° |
| C60 | C55 | C08 | C05 | 87.0° | 34.1° |
| C60 | C55 | C56 | H45 | 179.8° | 179.8° |
| C55 | C60 | C59 | H47 | 179.8° | 179.7° |
| C10 | C49 | N50 | N53 | 178.5° | 180.0° |
| C10 | C49 | N50 | N51 | 179.1° | 179.3° |
| C10 | C49 | N53 | C52 | 179.3° | 179.1° |
| C10 | C49 | N53 | C04 | 1.3° | 1.4° |
| C49 | C10 | C11 | H21 | 59.4° | 65.0° |
| C49 | C10 | C11 | H22 | 59.6° | 55.0° |
| C55 | C08 | C05 | C04 | 172.9° | 142.1° |
| C55 | C08 | C05 | C06 | 6.7° | 36.1° |
| C08 | C55 | C56 | H45 | 0.0° | 0.0° |
| C08 | C55 | C60 | H48 | 0.0° | 0.2° |
| C27 | C26 | C25 | C24 | 41.7° | 57.7° |
| C27 | C26 | C25 | O29 | 123.9° | 119.9° |
| C27 | C26 | C25 | H11 | 119.2° | 120.0° |
| C27 | C26 | O29 | H11 | 116.2° | 120.2° |
| C27 | C26 | O29 | C30 | 125.6° | 83.7° |
| C26 | C27 | C28 | H12 | 170.8° | 60.9° |
| C26 | C27 | C28 | H13 | 69.2° | 179.2° |
| C27 | C26 | C25 | H24 | 162.4° | 177.6° |
| C27 | C26 | C25 | H25 | 78.9° | 62.3° |
| C26 | C27 | H26 | H27 | 118.0° | 120.1° |
| C49 | N50 | N51 | C52 | 0.3° | 0.2° |
| N50 | C49 | N53 | C52 | 0.7° | 0.8° |
| N50 | C49 | N53 | C04 | 179.9° | 178.7° |
| N50 | C49 | C10 | H1 | 117.9° | 0.6° |
| N51 | N50 | C49 | N53 | 0.6° | 0.6° |
| N50 | N51 | C52 | N53 | 0.1° | 0.3° |
| N50 | N51 | C52 | C54 | 179.6° | 179.8° |
| C08 | C05 | C04 | N53 | 0.9° | 4.2° |
| C08 | C05 | C04 | C06 | 179.7° | 178.4° |
| C08 | C05 | C04 | S03 | 179.4° | 177.0° |
| C08 | C05 | C06 | C07 | 0.1° | 2.6° |
| C08 | C05 | C06 | C02 | 179.7° | 177.4° |
| C49 | N53 | C52 | N51 | 0.5° | 0.7° |
| C49 | N53 | C52 | C04 | 179.5° | 179.4° |
| C49 | N53 | C04 | C05 | 33.6° | 33.6° |
| C49 | N53 | C52 | C54 | 179.9° | 179.4° |
| C49 | N53 | C04 | S03 | 144.7° | 145.0° |
| N53 | C49 | C10 | H1 | 63.8° | 179.4° |
| C24 | C25 | C26 | H24 | 120.7° | 120.0° |
| C24 | C25 | C26 | H25 | 120.6° | 120.0° |
| C24 | C25 | C26 | O29 | 82.2° | 62.3° |
| C25 | C24 | H9 | H10 | 119.8° | 120.0° |
| C24 | C25 | C26 | H11 | 160.9° | 177.7° |
| C24 | C25 | H24 | H25 | 117.9° | 120.1° |
| N51 | C52 | N53 | C54 | 179.4° | 179.9° |
| N51 | C52 | N53 | C04 | 180.0° | 178.8° |
| N51 | C52 | C54 | H42 | 0.0° | 90.0° |
| N51 | C52 | C54 | H43 | 120.0° | 150.0° |
| N51 | C52 | C54 | H44 | 120.0° | 30.0° |
| C25 | C26 | O29 | H11 | 116.6° | 120.1° |
| C25 | C26 | O29 | C30 | 107.2° | 156.6° |
| C26 | C25 | C24 | H9 | 69.6° | 179.2° |
| C26 | C25 | C24 | H10 | 170.5° | 60.9° |
| C26 | C25 | H24 | H25 | 118.0° | 120.1° |
| C25 | C26 | C27 | H26 | 78.7° | 177.6° |
| C25 | C26 | C27 | H27 | 162.5° | 62.3° |
| C26 | O29 | C30 | C35 | 11.8° | 2.4° |
| C26 | O29 | C30 | C31 | 168.4° | 177.4° |
| O29 | C26 | C25 | H24 | 38.5° | 57.7° |
| O29 | C26 | C25 | H25 | 157.2° | 177.8° |
| O29 | C26 | C27 | H26 | 156.9° | 57.7° |
| O29 | C26 | C27 | H27 | 38.2° | 177.8° |
| C52 | N53 | C04 | C05 | 147.0° | 147.1° |
| C52 | N53 | C04 | S03 | 34.7° | 34.3° |
| N53 | C52 | C54 | H42 | 179.3° | 89.9° |
| N53 | C52 | C54 | H43 | 59.4° | 30.0° |
| N53 | C52 | C54 | H44 | 60.6° | 150.1° |
| N53 | C04 | C05 | S03 | 178.5° | 178.8° |
| N53 | C04 | C05 | C06 | 179.4° | 177.4° |
| C04 | N53 | C52 | C54 | 0.6° | 1.2° |
| N53 | C04 | S03 | C02 | 179.5° | 177.7° |
| C04 | C05 | C06 | C07 | 179.8° | 179.0° |
| C04 | C05 | C06 | C02 | 0.6° | 1.0° |
| C05 | C04 | S03 | C02 | 0.8° | 1.1° |
| C06 | C05 | C04 | S03 | 0.9° | 1.4° |
| C05 | C06 | C07 | C02 | 179.6° | 180.0° |
| C05 | C06 | C02 | S03 | 0.0° | 0.2° |
| C05 | C06 | C02 | C01 | 179.9° | 179.8° |
| C05 | C06 | C07 | H17 | 89.7° | 94.5° |
| C05 | C06 | C07 | H18 | 150.3° | 145.5° |
| C05 | C06 | C07 | H19 | 30.3° | 25.5° |
| C52 | C54 | H42 | H43 | 120.0° | 119.9° |
| C52 | C54 | H42 | H44 | 120.0° | 120.0° |
| C52 | C54 | H43 | H44 | 120.0° | 120.0° |
| O29 | C30 | C35 | C31 | 179.9° | 179.7° |
| O29 | C30 | C35 | C34 | 179.9° | 179.8° |
| O29 | C30 | C31 | C32 | 180.0° | 179.7° |
| C30 | O29 | C26 | H11 | 9.4° | 36.4° |
| O29 | C30 | C31 | H28 | 0.0° | 0.3° |
| O29 | C30 | C35 | H30 | 0.1° | 0.2° |
| C04 | S03 | C02 | C06 | 0.5° | 0.5° |
| C04 | S03 | C02 | C01 | 179.7° | 179.4° |
| C07 | C06 | C02 | S03 | 179.6° | 179.8° |
| C07 | C06 | C02 | C01 | 0.2° | 0.1° |
| C06 | C07 | H17 | H18 | 120.0° | 120.0° |
| C06 | C07 | H17 | H19 | 120.0° | 120.0° |
| C06 | C07 | H18 | H19 | 120.0° | 120.0° |
| C06 | C02 | S03 | C01 | 179.9° | 180.0° |
| C06 | C02 | C01 | H14 | 179.8° | 90.0° |
| C06 | C02 | C01 | H15 | 60.2° | 150.0° |
| C06 | C02 | C01 | H16 | 59.8° | 29.9° |
| C02 | C06 | C07 | H17 | 89.8° | 85.5° |
| C02 | C06 | C07 | H18 | 30.2° | 34.5° |
| C02 | C06 | C07 | H19 | 150.2° | 154.5° |
| C30 | C35 | C34 | H30 | 180.0° | 180.0° |
| C35 | C30 | C31 | C32 | 0.1° | 0.1° |
| C30 | C35 | C34 | N36 | 179.9° | 179.8° |
| C30 | C35 | C34 | C33 | 0.3° | 0.1° |
| C35 | C30 | C31 | H28 | 179.9° | 179.9° |
| C31 | C30 | C35 | C34 | 0.1° | 0.0° |
| C30 | C31 | C32 | H28 | 180.0° | 180.0° |
| C30 | C31 | C32 | C33 | 0.4° | 0.1° |
| C30 | C31 | C32 | H29 | 179.5° | 180.0° |
| C31 | C30 | C35 | H30 | 179.9° | 180.0° |
| C35 | C34 | N36 | C33 | 179.6° | 179.9° |
| C35 | C34 | N36 | C37 | 159.7° | 166.6° |
| C35 | C34 | C33 | C32 | 0.6° | 0.1° |
| C35 | C34 | C33 | N44 | 179.9° | 179.7° |
| C35 | C34 | N36 | H53 | 20.3° | 13.4° |
| S03 | C02 | C01 | H14 | 0.0° | 90.0° |
| S03 | C02 | C01 | H15 | 120.0° | 30.0° |
| S03 | C02 | C01 | H16 | 120.0° | 150.0° |
| C02 | C01 | H14 | H15 | 120.0° | 120.0° |
| C02 | C01 | H14 | H16 | 120.0° | 120.0° |
| C02 | C01 | H15 | H16 | 120.0° | 120.0° |
| C31 | C32 | C33 | C34 | 0.7° | 0.0° |
| C31 | C32 | C33 | H29 | 180.0° | 179.9° |
| C31 | C32 | C33 | N44 | 179.9° | 179.8° |
| C34 | N36 | C37 | H53 | 180.0° | 180.0° |
| N36 | C34 | C33 | C32 | 179.8° | 179.9° |
| N36 | C34 | C33 | N44 | 0.5° | 0.3° |
| C34 | N36 | C37 | O38 | 179.9° | 177.8° |
| C34 | N36 | C37 | C39 | 0.8° | 2.1° |
| N36 | C34 | C35 | H30 | 0.1° | 0.2° |
| C33 | C34 | N36 | C37 | 20.7° | 13.4° |
| C34 | C33 | C32 | N44 | 179.2° | 179.8° |
| C34 | C33 | N44 | C39 | 41.4° | 28.0° |
| C34 | C33 | N44 | C45 | 137.1° | 152.0° |
| C34 | C33 | C32 | H29 | 179.3° | 179.9° |
| C33 | C34 | C35 | H30 | 179.7° | 179.9° |
| C33 | C34 | N36 | H53 | 159.3° | 166.5° |
| N36 | C37 | C39 | C40 | 71.5° | 148.5° |
| N36 | C37 | O38 | C39 | 179.2° | 179.9° |
| N36 | C37 | C39 | N44 | 40.6° | 27.6° |
| N36 | C37 | C39 | C43 | 177.8° | 93.8° |
| C32 | C33 | N44 | C39 | 137.9° | 151.8° |
| C32 | C33 | N44 | C45 | 43.7° | 28.2° |
| C33 | C32 | C31 | H28 | 179.6° | 179.9° |
| C41 | C40 | C39 | H31 | 119.6° | 118.6° |
| C41 | C40 | C39 | H32 | 119.6° | 118.7° |
| C41 | C40 | C39 | C37 | 141.6° | 143.0° |
| C40 | C41 | C42 | H33 | 119.1° | 118.3° |
| C40 | C41 | C42 | H34 | 119.1° | 118.3° |
| C41 | C40 | C39 | N44 | 98.8° | 95.9° |
| C41 | C40 | C39 | C43 | 36.0° | 23.4° |
| C40 | C41 | C42 | C43 | 22.6° | 37.8° |
| C41 | C40 | H31 | H32 | 121.3° | 122.6° |
| C40 | C41 | H33 | H34 | 122.6° | 123.3° |
| C40 | C41 | C42 | H35 | 96.6° | 80.9° |
| C40 | C41 | C42 | H36 | 141.9° | 156.6° |
| C40 | C39 | N44 | C33 | 74.2° | 161.0° |
| C40 | C39 | C37 | O38 | 107.8° | 31.4° |
| C40 | C39 | C37 | N44 | 112.1° | 120.9° |
| C40 | C39 | C37 | C43 | 110.7° | 117.7° |
| C39 | C40 | C41 | C42 | 33.9° | 37.7° |
| C40 | C39 | N44 | C43 | 111.2° | 117.4° |
| C40 | C39 | N44 | C45 | 107.5° | 18.9° |
| C40 | C39 | C43 | C42 | 19.2° | 0.1° |
| C39 | C40 | H31 | H32 | 121.2° | 122.7° |
| C39 | C40 | C41 | H33 | 153.0° | 156.0° |
| C39 | C40 | C41 | H34 | 85.1° | 80.7° |
| C40 | C39 | C43 | H37 | 138.9° | 119.1° |
| C40 | C39 | C43 | H38 | 100.6° | 119.3° |
| C33 | N44 | C39 | C37 | 61.5° | 40.0° |
| C33 | N44 | C39 | C45 | 178.3° | 180.0° |
| C33 | N44 | C39 | C43 | 174.6° | 81.5° |
| C33 | N44 | C45 | O46 | 0.8° | 178.4° |
| C33 | N44 | C45 | C47 | 179.2° | 1.5° |
| N44 | C33 | C32 | H29 | 0.1° | 0.2° |
| O38 | C37 | C39 | N44 | 140.1° | 152.3° |
| O38 | C37 | C39 | C43 | 2.9° | 86.3° |
| O38 | C37 | N36 | H53 | 0.1° | 2.2° |
| C37 | C39 | N44 | C43 | 113.0° | 121.6° |
| C37 | C39 | N44 | C45 | 116.8° | 139.9° |
| C37 | C39 | C43 | C42 | 152.6° | 119.4° |
| C37 | C39 | C40 | H31 | 98.9° | 24.4° |
| C37 | C39 | C40 | H32 | 22.0° | 98.3° |
| C37 | C39 | C43 | H37 | 87.6° | 121.4° |
| C37 | C39 | C43 | H38 | 32.9° | 0.1° |
| C39 | C37 | N36 | H53 | 179.2° | 178.0° |
| C41 | C42 | C43 | C39 | 0.6° | 23.6° |
| C41 | C42 | C43 | H35 | 119.2° | 118.7° |
| C41 | C42 | C43 | H36 | 119.2° | 118.7° |
| C42 | C41 | C40 | H31 | 153.5° | 81.0° |
| C42 | C41 | C40 | H32 | 85.6° | 156.3° |
| C42 | C41 | H33 | H34 | 122.6° | 123.3° |
| C41 | C42 | H35 | H36 | 122.1° | 122.6° |
| C41 | C42 | C43 | H37 | 120.4° | 95.7° |
| C41 | C42 | C43 | H38 | 119.1° | 142.8° |
| N44 | C39 | C43 | C42 | 87.0° | 119.2° |
| C39 | N44 | C45 | O46 | 179.0° | 1.5° |
| C39 | N44 | C45 | C47 | 1.0° | 178.5° |
| N44 | C39 | C40 | H31 | 20.8° | 145.5° |
| N44 | C39 | C40 | H32 | 141.7° | 22.8° |
| N44 | C39 | C43 | H37 | 32.7° | 0.0° |
| N44 | C39 | C43 | H38 | 153.2° | 121.6° |
| C43 | C39 | N44 | C45 | 3.7° | 98.5° |
| C39 | C43 | C42 | H37 | 119.7° | 119.2° |
| C39 | C43 | C42 | H38 | 119.7° | 119.2° |
| C43 | C39 | C40 | H31 | 155.6° | 95.2° |
| C43 | C39 | C40 | H32 | 83.5° | 142.1° |
| C39 | C43 | C42 | H35 | 119.9° | 95.1° |
| C39 | C43 | C42 | H36 | 118.6° | 142.3° |
| C39 | C43 | H37 | H38 | 120.8° | 121.5° |
| N44 | C45 | O46 | C47 | 180.0° | 179.9° |
| N44 | C45 | C47 | H39 | 25.0° | 46.6° |
| N44 | C45 | C47 | H40 | 152.3° | 73.4° |
| N44 | C45 | C47 | CL1 | 91.3° | 166.6° |
| C43 | C42 | C41 | H33 | 141.7° | 156.1° |
| C43 | C42 | C41 | H34 | 96.5° | 80.6° |
| C43 | C42 | H35 | H36 | 122.2° | 122.7° |
| C42 | C43 | H37 | H38 | 120.8° | 121.5° |
| O46 | C45 | C47 | H39 | 155.0° | 133.4° |
| O46 | C45 | C47 | H40 | 27.8° | 106.6° |
| O46 | C45 | C47 | CL1 | 88.7° | 13.3° |
| C45 | C47 | H39 | H40 | 129.7° | 120.0° |
| C45 | C47 | H39 | CL1 | 100.6° | 120.0° |
| C45 | C47 | H40 | CL1 | 100.6° | 120.0° |
| H1 | C10 | C11 | H21 | 60.8° | 174.9° |
| H1 | C10 | C11 | H22 | 179.8° | 65.2° |
| H2 | C15 | N14 | H51 | 15.1° | 120.0° |
| H3 | C15 | N14 | H51 | 135.0° | 119.9° |
| H4 | C17 | C18 | H23 | 0.1° | 0.0° |
| H5 | C20 | C21 | H6 | 0.3° | 0.3° |
| H9 | C24 | C25 | H24 | 51.1° | 60.9° |
| H9 | C24 | C25 | H25 | 169.8° | 59.2° |
| H10 | C24 | C25 | H24 | 68.8° | 59.1° |
| H10 | C24 | C25 | H25 | 49.9° | 179.2° |
| H11 | C26 | C25 | H24 | 78.4° | 62.4° |
| H11 | C26 | C25 | H25 | 40.3° | 57.7° |
| H11 | C26 | C27 | H26 | 40.5° | 62.4° |
| H11 | C26 | C27 | H27 | 78.3° | 57.7° |
| H12 | C28 | C27 | H26 | 50.2° | 59.1° |
| H12 | C28 | C27 | H27 | 68.6° | 179.2° |
| H13 | C28 | C27 | H26 | 170.1° | 60.8° |
| H13 | C28 | C27 | H27 | 51.4° | 59.3° |
| H14 | C01 | H15 | H16 | 120.0° | 120.0° |
| H17 | C07 | H18 | H19 | 120.0° | 120.0° |
| H28 | C31 | C32 | H29 | 0.4° | 0.0° |
| H31 | C40 | C41 | H33 | 87.4° | 37.3° |
| H31 | C40 | C41 | H34 | 34.4° | 160.7° |
| H32 | C40 | C41 | H33 | 33.5° | 85.4° |
| H32 | C40 | C41 | H34 | 155.3° | 38.0° |
| H33 | C41 | C42 | H35 | 22.5° | 37.4° |
| H33 | C41 | C42 | H36 | 99.0° | 85.1° |
| H34 | C41 | C42 | H35 | 144.3° | 160.8° |
| H34 | C41 | C42 | H36 | 22.8° | 38.2° |
| H35 | C42 | C43 | H37 | 120.4° | 145.6° |
| H35 | C42 | C43 | H38 | 0.2° | 24.1° |
| H36 | C42 | C43 | H37 | 1.1° | 23.0° |
| H36 | C42 | C43 | H38 | 121.7° | 98.5° |
| H39 | C47 | H40 | CL1 | 129.7° | 120.0° |
| H42 | C54 | H43 | H44 | 120.0° | 120.0° |
| H45 | C56 | C57 | H46 | 0.1° | 0.1° |
| H47 | C59 | C60 | H48 | 0.2° | 0.3° |
