YAV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C52 | C51 | sing | 1.51Å | 1.53Å | |
| C51 | C50 | doub | 1.37Å | 1.39Å | Aromatic |
| C51 | C53 | sing | 1.39Å | 1.40Å | Aromatic |
| O48 | C46 | doub | 1.21Å | 1.26Å | |
| O47 | C46 | sing | 1.34Å | 1.26Å | |
| C50 | C49 | sing | 1.40Å | 1.40Å | Aromatic |
| C53 | C54 | doub | 1.38Å | 1.39Å | Aromatic |
| C46 | C45 | sing | 1.51Å | 1.52Å | |
| C49 | C55 | doub | 1.41Å | 1.39Å | Aromatic |
| C49 | C44 | sing | 1.46Å | 1.45Å | Aromatic |
| C54 | C55 | sing | 1.39Å | 1.40Å | Aromatic |
| C55 | O56 | sing | 1.35Å | 1.33Å | Aromatic |
| C45 | C44 | sing | 1.51Å | 1.52Å | |
| C44 | C43 | doub | 1.36Å | 1.39Å | Aromatic |
| O56 | C43 | sing | 1.35Å | 1.30Å | Aromatic |
| C43 | C42 | sing | 1.43Å | 1.53Å | |
| C42 | C41 | trip | 1.17Å | 1.19Å | |
| C41 | C40 | sing | 1.43Å | 1.53Å | |
| C39 | C40 | doub | 1.40Å | 1.38Å | Aromatic |
| C39 | C38 | sing | 1.38Å | 1.38Å | Aromatic |
| C40 | C57 | sing | 1.40Å | 1.39Å | Aromatic |
| C38 | C37 | doub | 1.38Å | 1.38Å | Aromatic |
| C57 | C36 | doub | 1.39Å | 1.39Å | Aromatic |
| C37 | C36 | sing | 1.40Å | 1.39Å | Aromatic |
| C36 | C35 | sing | 1.48Å | 1.53Å | |
| O58 | C35 | doub | 1.22Å | 1.18Å | |
| C35 | N34 | sing | 1.35Å | 1.46Å | |
| N34 | C33 | sing | 1.46Å | 1.46Å | |
| C33 | C32 | sing | 1.53Å | 1.53Å | |
| O31 | C32 | sing | 1.43Å | 1.40Å | |
| O31 | C30 | sing | 1.43Å | 1.40Å | |
| C30 | C29 | sing | 1.53Å | 1.52Å | |
| O28 | C29 | sing | 1.43Å | 1.40Å | |
| O28 | C27 | sing | 1.43Å | 1.40Å | |
| C27 | C26 | sing | 1.53Å | 1.53Å | |
| C26 | N25 | sing | 1.47Å | 1.45Å | |
| N25 | C02 | sing | 1.35Å | 1.45Å | |
| O01 | C02 | doub | 1.21Å | 1.18Å | |
| C02 | C03 | sing | 1.48Å | 1.52Å | |
| C03 | C24 | doub | 1.40Å | 1.39Å | Aromatic |
| C03 | C04 | sing | 1.39Å | 1.38Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C04 | C05 | doub | 1.40Å | 1.38Å | Aromatic |
| C23 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C05 | C22 | sing | 1.40Å | 1.38Å | Aromatic |
| C05 | C06 | sing | 1.43Å | 1.52Å | |
| C06 | C07 | trip | 1.17Å | 1.18Å | |
| C07 | C08 | sing | 1.43Å | 1.52Å | |
| O21 | C08 | sing | 1.35Å | 1.30Å | Aromatic |
| O21 | C20 | sing | 1.35Å | 1.33Å | Aromatic |
| C08 | C09 | doub | 1.36Å | 1.39Å | Aromatic |
| O13 | C11 | doub | 1.21Å | 1.26Å | |
| C20 | C19 | doub | 1.39Å | 1.40Å | Aromatic |
| C20 | C14 | sing | 1.41Å | 1.39Å | Aromatic |
| C09 | C10 | sing | 1.51Å | 1.52Å | |
| C09 | C14 | sing | 1.46Å | 1.45Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.51Å | 1.51Å | |
| C11 | O12 | sing | 1.34Å | 1.26Å | |
| C14 | C15 | doub | 1.40Å | 1.40Å | Aromatic |
| C18 | C16 | doub | 1.39Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.37Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.51Å | 1.53Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.08Å | 1.08Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C22 | H7 | sing | 1.08Å | 1.08Å | |
| C24 | H8 | sing | 1.08Å | 1.08Å | |
| C26 | H9 | sing | 1.09Å | 1.10Å | |
| C26 | H10 | sing | 1.09Å | 1.10Å | |
| C04 | H11 | sing | 1.08Å | 1.08Å | |
| C18 | H12 | sing | 1.08Å | 1.08Å | |
| C19 | H13 | sing | 1.08Å | 1.08Å | |
| C23 | H14 | sing | 1.08Å | 1.08Å | |
| C27 | H15 | sing | 1.09Å | 1.10Å | |
| C27 | H16 | sing | 1.09Å | 1.10Å | |
| C29 | H17 | sing | 1.09Å | 1.10Å | |
| C29 | H18 | sing | 1.09Å | 1.10Å | |
| C30 | H19 | sing | 1.09Å | 1.10Å | |
| C30 | H20 | sing | 1.09Å | 1.10Å | |
| C32 | H21 | sing | 1.09Å | 1.10Å | |
| C32 | H22 | sing | 1.09Å | 1.10Å | |
| C33 | H23 | sing | 1.09Å | 1.10Å | |
| C33 | H24 | sing | 1.09Å | 1.10Å | |
| C37 | H25 | sing | 1.08Å | 1.08Å | |
| C38 | H26 | sing | 1.08Å | 1.08Å | |
| C39 | H27 | sing | 1.08Å | 1.08Å | |
| C45 | H28 | sing | 1.09Å | 1.10Å | |
| C45 | H29 | sing | 1.09Å | 1.10Å | |
| C50 | H30 | sing | 1.08Å | 1.08Å | |
| C52 | H31 | sing | 1.09Å | 1.10Å | |
| C52 | H32 | sing | 1.09Å | 1.10Å | |
| C52 | H33 | sing | 1.09Å | 1.10Å | |
| C53 | H34 | sing | 1.08Å | 1.08Å | |
| C54 | H35 | sing | 1.08Å | 1.08Å | |
| C57 | H36 | sing | 1.08Å | 1.08Å | |
| N25 | H37 | sing | 0.97Å | 1.00Å | |
| N34 | H38 | sing | 0.97Å | 1.00Å | |
| O12 | H39 | sing | 0.97Å | 0.95Å | |
| O47 | H40 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C52 | C51 | C50 | 120.0° | 119.8° |
| C52 | C51 | C53 | 120.1° | 119.8° |
| C51 | C52 | H31 | 109.5° | 109.5° |
| C51 | C52 | H32 | 109.5° | 109.5° |
| C51 | C52 | H33 | 109.5° | 109.4° |
| C50 | C51 | C53 | 119.9° | 120.4° |
| C51 | C50 | C49 | 120.0° | 119.7° |
| C51 | C50 | H30 | 120.0° | 120.1° |
| C51 | C53 | C54 | 120.3° | 120.8° |
| C51 | C53 | H34 | 119.9° | 119.6° |
| O48 | C46 | O47 | 120.6° | 120.0° |
| O48 | C46 | C45 | 119.6° | 120.0° |
| O47 | C46 | C45 | 119.8° | 120.0° |
| C46 | O47 | H40 | 109.5° | 117.0° |
| C50 | C49 | C55 | 120.3° | 120.1° |
| C50 | C49 | C44 | 134.9° | 134.2° |
| C49 | C50 | H30 | 120.0° | 120.1° |
| C53 | C54 | C55 | 120.0° | 119.9° |
| C54 | C53 | H34 | 119.8° | 119.6° |
| C53 | C54 | H35 | 120.0° | 120.1° |
| C46 | C45 | C44 | 112.7° | 109.5° |
| C46 | C45 | H28 | 108.7° | 109.5° |
| C46 | C45 | H29 | 108.6° | 109.5° |
| C55 | C49 | C44 | 104.8° | 105.7° |
| C49 | C55 | C54 | 119.6° | 119.2° |
| C49 | C55 | O56 | 109.0° | 107.6° |
| C49 | C44 | C45 | 128.4° | 127.0° |
| C49 | C44 | C43 | 105.6° | 106.1° |
| C54 | C55 | O56 | 131.4° | 133.3° |
| C55 | C54 | H35 | 120.0° | 120.0° |
| C55 | O56 | C43 | 111.7° | 110.9° |
| C45 | C44 | C43 | 126.0° | 126.9° |
| C44 | C45 | H28 | 108.6° | 109.4° |
| C44 | C45 | H29 | 108.7° | 109.5° |
| C44 | C43 | O56 | 109.0° | 109.7° |
| C44 | C43 | C42 | 122.5° | 125.1° |
| O56 | C43 | C42 | 128.5° | 125.2° |
| C43 | C42 | C41 | 174.8° | 180.0° |
| C42 | C41 | C40 | 177.2° | 180.0° |
| C41 | C40 | C39 | 118.5° | 120.1° |
| C41 | C40 | C57 | 121.1° | 120.1° |
| C40 | C39 | C38 | 120.0° | 120.1° |
| C39 | C40 | C57 | 120.3° | 119.8° |
| C40 | C39 | H27 | 120.0° | 119.9° |
| C39 | C38 | C37 | 119.8° | 120.3° |
| C39 | C38 | H26 | 120.1° | 119.8° |
| C38 | C39 | H27 | 120.0° | 120.0° |
| C40 | C57 | C36 | 119.6° | 119.7° |
| C40 | C57 | H36 | 120.2° | 120.2° |
| C38 | C37 | C36 | 120.3° | 120.3° |
| C38 | C37 | H25 | 119.8° | 119.8° |
| C37 | C38 | H26 | 120.1° | 119.9° |
| C57 | C36 | C37 | 119.9° | 119.8° |
| C57 | C36 | C35 | 121.4° | 120.1° |
| C36 | C57 | H36 | 120.2° | 120.1° |
| C37 | C36 | C35 | 118.7° | 120.1° |
| C36 | C37 | H25 | 119.8° | 119.9° |
| C36 | C35 | O58 | 119.1° | 120.0° |
| C36 | C35 | N34 | 121.7° | 120.0° |
| O58 | C35 | N34 | 119.2° | 120.0° |
| C35 | N34 | C33 | 118.4° | 120.0° |
| C35 | N34 | H38 | 120.8° | 120.0° |
| N34 | C33 | C32 | 114.1° | 109.4° |
| N34 | C33 | H23 | 108.3° | 109.5° |
| N34 | C33 | H24 | 108.3° | 109.5° |
| C33 | N34 | H38 | 120.8° | 120.0° |
| C33 | C32 | O31 | 110.8° | 109.5° |
| C33 | C32 | H21 | 109.1° | 109.4° |
| C33 | C32 | H22 | 109.1° | 109.4° |
| C32 | C33 | H23 | 108.3° | 109.5° |
| C32 | C33 | H24 | 108.3° | 109.4° |
| C32 | O31 | C30 | 111.7° | 113.9° |
| O31 | C32 | H21 | 109.2° | 109.5° |
| O31 | C32 | H22 | 109.1° | 109.5° |
| O31 | C30 | C29 | 109.1° | 109.4° |
| O31 | C30 | H19 | 109.6° | 109.5° |
| O31 | C30 | H20 | 109.6° | 109.5° |
| C30 | C29 | O28 | 108.1° | 109.5° |
| C30 | C29 | H17 | 109.8° | 109.4° |
| C30 | C29 | H18 | 109.8° | 109.5° |
| C29 | C30 | H19 | 109.6° | 109.4° |
| C29 | C30 | H20 | 109.6° | 109.5° |
| C29 | O28 | C27 | 113.4° | 114.1° |
| O28 | C29 | H17 | 109.8° | 109.4° |
| O28 | C29 | H18 | 109.8° | 109.5° |
| O28 | C27 | C26 | 107.3° | 109.5° |
| O28 | C27 | H15 | 110.0° | 109.5° |
| O28 | C27 | H16 | 110.0° | 109.5° |
| C27 | C26 | N25 | 109.6° | 109.5° |
| C27 | C26 | H9 | 109.5° | 109.5° |
| C27 | C26 | H10 | 109.5° | 109.4° |
| C26 | C27 | H15 | 110.0° | 109.5° |
| C26 | C27 | H16 | 110.0° | 109.5° |
| C26 | N25 | C02 | 119.5° | 120.0° |
| N25 | C26 | H9 | 109.5° | 109.5° |
| N25 | C26 | H10 | 109.4° | 109.5° |
| C26 | N25 | H37 | 120.3° | 120.0° |
| N25 | C02 | O01 | 120.1° | 120.0° |
| N25 | C02 | C03 | 120.2° | 120.0° |
| C02 | N25 | H37 | 120.2° | 120.0° |
| O01 | C02 | C03 | 119.7° | 120.0° |
| C02 | C03 | C24 | 121.9° | 120.1° |
| C02 | C03 | C04 | 118.0° | 120.1° |
| C24 | C03 | C04 | 120.1° | 119.9° |
| C03 | C24 | C23 | 119.8° | 120.2° |
| C03 | C24 | H8 | 120.1° | 119.9° |
| C03 | C04 | C05 | 120.0° | 119.7° |
| C03 | C04 | H11 | 120.0° | 120.2° |
| C24 | C23 | C22 | 120.0° | 120.4° |
| C23 | C24 | H8 | 120.1° | 119.9° |
| C24 | C23 | H14 | 120.0° | 119.8° |
| C04 | C05 | C22 | 120.7° | 119.8° |
| C04 | C05 | C06 | 116.7° | 120.1° |
| C05 | C04 | H11 | 120.0° | 120.2° |
| C23 | C22 | C05 | 119.4° | 120.1° |
| C23 | C22 | H7 | 120.3° | 119.9° |
| C22 | C23 | H14 | 120.0° | 119.8° |
| C22 | C05 | C06 | 122.6° | 120.1° |
| C05 | C22 | H7 | 120.3° | 119.9° |
| C05 | C06 | C07 | 175.7° | 180.0° |
| C06 | C07 | C08 | 178.3° | 180.0° |
| C07 | C08 | O21 | 126.1° | 125.1° |
| C07 | C08 | C09 | 124.3° | 125.1° |
| C08 | O21 | C20 | 111.0° | 110.9° |
| O21 | C08 | C09 | 109.6° | 109.7° |
| O21 | C20 | C19 | 130.6° | 133.2° |
| O21 | C20 | C14 | 109.6° | 107.7° |
| C08 | C09 | C10 | 126.3° | 127.0° |
| C08 | C09 | C14 | 105.5° | 106.0° |
| O13 | C11 | C10 | 121.1° | 120.0° |
| O13 | C11 | O12 | 120.8° | 120.0° |
| C19 | C20 | C14 | 119.8° | 119.1° |
| C20 | C19 | C18 | 120.0° | 119.9° |
| C20 | C19 | H13 | 120.0° | 120.1° |
| C20 | C14 | C09 | 104.3° | 105.7° |
| C20 | C14 | C15 | 120.3° | 120.1° |
| C10 | C09 | C14 | 128.1° | 127.0° |
| C09 | C10 | C11 | 105.8° | 109.5° |
| C09 | C10 | H1 | 110.4° | 109.5° |
| C09 | C10 | H2 | 110.4° | 109.5° |
| C09 | C14 | C15 | 135.3° | 134.2° |
| C19 | C18 | C16 | 120.1° | 120.7° |
| C19 | C18 | H12 | 120.0° | 119.6° |
| C18 | C19 | H13 | 120.0° | 120.0° |
| C10 | C11 | O12 | 118.1° | 120.0° |
| C11 | C10 | H1 | 110.4° | 109.5° |
| C11 | C10 | H2 | 110.4° | 109.4° |
| C11 | O12 | H39 | 109.5° | 117.0° |
| C14 | C15 | C16 | 119.7° | 119.7° |
| C14 | C15 | H3 | 120.1° | 120.1° |
| C18 | C16 | C15 | 120.0° | 120.4° |
| C18 | C16 | C17 | 119.9° | 119.8° |
| C16 | C18 | H12 | 120.0° | 119.6° |
| C15 | C16 | C17 | 120.1° | 119.8° |
| C16 | C15 | H3 | 120.1° | 120.2° |
| C16 | C17 | H4 | 109.5° | 109.4° |
| C16 | C17 | H5 | 109.4° | 109.5° |
| C16 | C17 | H6 | 109.5° | 109.5° |
| H1 | C10 | H2 | 109.4° | 109.5° |
| H4 | C17 | H5 | 109.5° | 109.5° |
| H4 | C17 | H6 | 109.5° | 109.5° |
| H5 | C17 | H6 | 109.5° | 109.5° |
| H9 | C26 | H10 | 109.5° | 109.5° |
| H15 | C27 | H16 | 109.5° | 109.4° |
| H17 | C29 | H18 | 109.5° | 109.5° |
| H19 | C30 | H20 | 109.4° | 109.5° |
| H21 | C32 | H22 | 109.4° | 109.5° |
| H23 | C33 | H24 | 109.5° | 109.5° |
| H28 | C45 | H29 | 109.5° | 109.4° |
| H31 | C52 | H32 | 109.5° | 109.5° |
| H31 | C52 | H33 | 109.5° | 109.4° |
| H32 | C52 | H33 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C52 | C51 | C50 | C53 | 179.9° | 179.9° |
| C52 | C51 | C50 | C49 | 180.0° | 180.0° |
| C52 | C51 | C53 | C54 | 180.0° | 180.0° |
| C52 | C51 | C50 | H30 | 0.0° | 0.1° |
| C51 | C52 | H31 | H32 | 120.0° | 120.1° |
| C51 | C52 | H31 | H33 | 120.0° | 119.9° |
| C51 | C52 | H32 | H33 | 120.0° | 119.9° |
| C52 | C51 | C53 | H34 | 0.1° | 0.1° |
| C51 | C50 | C49 | H30 | 180.0° | 179.9° |
| C50 | C51 | C53 | C54 | 0.1° | 0.0° |
| C51 | C50 | C49 | C55 | 0.0° | 0.0° |
| C51 | C50 | C49 | C44 | 179.9° | 179.6° |
| C50 | C51 | C52 | H31 | 90.0° | 89.9° |
| C50 | C51 | C52 | H32 | 150.0° | 150.0° |
| C50 | C51 | C52 | H33 | 30.0° | 30.0° |
| C50 | C51 | C53 | H34 | 179.9° | 180.0° |
| C53 | C51 | C50 | C49 | 0.0° | 0.0° |
| C51 | C53 | C54 | H34 | 180.0° | 180.0° |
| C51 | C53 | C54 | C55 | 0.1° | 0.0° |
| C53 | C51 | C50 | H30 | 179.9° | 180.0° |
| C53 | C51 | C52 | H31 | 90.0° | 90.0° |
| C53 | C51 | C52 | H32 | 30.0° | 30.0° |
| C53 | C51 | C52 | H33 | 150.0° | 150.1° |
| C51 | C53 | C54 | H35 | 179.8° | 180.0° |
| O48 | C46 | O47 | C45 | 180.0° | 180.0° |
| O48 | C46 | C45 | C44 | 45.7° | 0.0° |
| O48 | C46 | C45 | H28 | 166.2° | 120.0° |
| O48 | C46 | C45 | H29 | 74.8° | 120.0° |
| O48 | C46 | O47 | H40 | 0.0° | 0.1° |
| O47 | C46 | C45 | C44 | 134.3° | 179.9° |
| O47 | C46 | C45 | H28 | 13.8° | 60.0° |
| O47 | C46 | C45 | H29 | 105.2° | 60.0° |
| C50 | C49 | C55 | C44 | 180.0° | 179.8° |
| C50 | C49 | C55 | C54 | 0.0° | 0.0° |
| C50 | C49 | C55 | O56 | 179.9° | 180.0° |
| C50 | C49 | C44 | C45 | 0.3° | 0.3° |
| C50 | C49 | C44 | C43 | 179.9° | 179.7° |
| C53 | C54 | C55 | C49 | 0.1° | 0.0° |
| C53 | C54 | C55 | H35 | 180.0° | 179.9° |
| C53 | C54 | C55 | O56 | 180.0° | 180.0° |
| C46 | C45 | C44 | C49 | 47.8° | 90.0° |
| C46 | C45 | C44 | H28 | 120.5° | 120.0° |
| C46 | C45 | C44 | H29 | 120.5° | 120.1° |
| C46 | C45 | C44 | C43 | 132.7° | 90.0° |
| C46 | C45 | H28 | H29 | 118.5° | 120.0° |
| C45 | C46 | O47 | H40 | 180.0° | 179.9° |
| C49 | C55 | C54 | O56 | 179.9° | 180.0° |
| C55 | C49 | C44 | C45 | 179.7° | 180.0° |
| C55 | C49 | C44 | C43 | 0.0° | 0.0° |
| C49 | C55 | O56 | C43 | 0.2° | 0.4° |
| C55 | C49 | C50 | H30 | 180.0° | 179.9° |
| C49 | C55 | C54 | H35 | 179.9° | 180.0° |
| C44 | C49 | C55 | C54 | 180.0° | 179.7° |
| C44 | C49 | C55 | O56 | 0.1° | 0.3° |
| C49 | C44 | C45 | C43 | 179.5° | 180.0° |
| C49 | C44 | C43 | O56 | 0.2° | 0.3° |
| C49 | C44 | C43 | C42 | 179.9° | 180.0° |
| C49 | C44 | C45 | H28 | 72.7° | 30.0° |
| C49 | C44 | C45 | H29 | 168.3° | 150.0° |
| C44 | C49 | C50 | H30 | 0.0° | 0.3° |
| C54 | C55 | O56 | C43 | 179.9° | 179.5° |
| C55 | C54 | C53 | H34 | 179.8° | 180.0° |
| C55 | O56 | C43 | C44 | 0.3° | 0.5° |
| C55 | O56 | C43 | C42 | 179.8° | 179.8° |
| O56 | C55 | C54 | H35 | 0.0° | 0.0° |
| C45 | C44 | C43 | O56 | 179.8° | 179.7° |
| C45 | C44 | C43 | C42 | 0.3° | 0.0° |
| C44 | C45 | H28 | H29 | 118.5° | 120.0° |
| C44 | C43 | O56 | C42 | 179.9° | 179.7° |
| C44 | C43 | C42 | C41 | 8.4° | 177.8° |
| C43 | C44 | C45 | H28 | 106.8° | 150.0° |
| C43 | C44 | C45 | H29 | 12.2° | 30.1° |
| O56 | C43 | C42 | C41 | 171.5° | 2.5° |
| C43 | C42 | C41 | C40 | 75.9° | 41.7° |
| C42 | C41 | C40 | C39 | 23.5° | 39.5° |
| C42 | C41 | C40 | C57 | 156.6° | 140.7° |
| C41 | C40 | C39 | C57 | 179.9° | 179.7° |
| C41 | C40 | C39 | C38 | 179.7° | 180.0° |
| C41 | C40 | C57 | C36 | 179.4° | 179.8° |
| C41 | C40 | C39 | H27 | 0.3° | 0.3° |
| C41 | C40 | C57 | H36 | 0.5° | 0.2° |
| C40 | C39 | C38 | H27 | 180.0° | 179.7° |
| C40 | C39 | C38 | C37 | 0.2° | 0.0° |
| C39 | C40 | C57 | C36 | 0.5° | 0.5° |
| C40 | C39 | C38 | H26 | 179.9° | 180.0° |
| C39 | C40 | C57 | H36 | 179.5° | 180.0° |
| C38 | C39 | C40 | C57 | 0.3° | 0.2° |
| C39 | C38 | C37 | H26 | 180.0° | 180.0° |
| C39 | C38 | C37 | C36 | 0.3° | 0.0° |
| C39 | C38 | C37 | H25 | 179.7° | 180.0° |
| C40 | C57 | C36 | H36 | 180.0° | 179.6° |
| C40 | C57 | C36 | C37 | 0.6° | 0.5° |
| C40 | C57 | C36 | C35 | 179.8° | 179.8° |
| C57 | C40 | C39 | H27 | 179.7° | 180.0° |
| C38 | C37 | C36 | C57 | 0.5° | 0.3° |
| C38 | C37 | C36 | H25 | 180.0° | 180.0° |
| C38 | C37 | C36 | C35 | 179.8° | 180.0° |
| C37 | C38 | C39 | H27 | 179.8° | 179.7° |
| C57 | C36 | C37 | C35 | 179.3° | 179.7° |
| C57 | C36 | C35 | O58 | 84.0° | 0.3° |
| C57 | C36 | C35 | N34 | 96.9° | 179.7° |
| C57 | C36 | C37 | H25 | 179.5° | 179.7° |
| C37 | C36 | C35 | O58 | 95.2° | 180.0° |
| C37 | C36 | C35 | N34 | 83.9° | 0.0° |
| C36 | C37 | C38 | H26 | 179.7° | 180.0° |
| C37 | C36 | C57 | H36 | 179.4° | 180.0° |
| C36 | C35 | O58 | N34 | 179.1° | 180.0° |
| C36 | C35 | N34 | C33 | 179.0° | 180.0° |
| C35 | C36 | C37 | H25 | 0.2° | 0.0° |
| C35 | C36 | C57 | H36 | 0.2° | 0.2° |
| C36 | C35 | N34 | H38 | 1.0° | 0.1° |
| O58 | C35 | N34 | C33 | 0.1° | 0.1° |
| O58 | C35 | N34 | H38 | 179.9° | 179.9° |
| C35 | N34 | C33 | H38 | 180.0° | 179.9° |
| C35 | N34 | C33 | C32 | 160.9° | 180.0° |
| C35 | N34 | C33 | H23 | 40.2° | 60.0° |
| C35 | N34 | C33 | H24 | 78.4° | 60.1° |
| N34 | C33 | C32 | H23 | 120.7° | 120.0° |
| N34 | C33 | C32 | H24 | 120.7° | 120.0° |
| N34 | C33 | C32 | O31 | 2.6° | 65.0° |
| N34 | C33 | C32 | H21 | 122.8° | 175.1° |
| N34 | C33 | C32 | H22 | 117.6° | 55.1° |
| N34 | C33 | H23 | H24 | 117.9° | 120.1° |
| C33 | C32 | O31 | H21 | 120.2° | 119.9° |
| C33 | C32 | O31 | H22 | 120.2° | 120.0° |
| C33 | C32 | O31 | C30 | 160.6° | 179.9° |
| C33 | C32 | H21 | H22 | 119.4° | 120.0° |
| C32 | C33 | H23 | H24 | 117.9° | 120.0° |
| C32 | C33 | N34 | H38 | 19.1° | 0.1° |
| C32 | O31 | C30 | C29 | 95.5° | 180.0° |
| C32 | O31 | C30 | H19 | 144.6° | 60.0° |
| C32 | O31 | C30 | H20 | 24.5° | 60.0° |
| O31 | C32 | H21 | H22 | 119.4° | 120.1° |
| O31 | C32 | C33 | H23 | 118.1° | 175.0° |
| O31 | C32 | C33 | H24 | 123.3° | 55.0° |
| O31 | C30 | C29 | H19 | 120.0° | 120.0° |
| O31 | C30 | C29 | H20 | 120.0° | 120.0° |
| O31 | C30 | C29 | O28 | 54.6° | 65.1° |
| O31 | C30 | C29 | H17 | 174.4° | 175.0° |
| O31 | C30 | C29 | H18 | 65.1° | 55.0° |
| O31 | C30 | H19 | H20 | 120.2° | 120.1° |
| C30 | O31 | C32 | H21 | 40.4° | 60.0° |
| C30 | O31 | C32 | H22 | 79.2° | 60.1° |
| C30 | C29 | O28 | H17 | 119.8° | 119.9° |
| C30 | C29 | O28 | H18 | 119.8° | 120.1° |
| C30 | C29 | O28 | C27 | 160.7° | 180.0° |
| C30 | C29 | H17 | H18 | 120.6° | 120.0° |
| C29 | C30 | H19 | H20 | 120.1° | 120.0° |
| C29 | O28 | C27 | C26 | 83.4° | 180.0° |
| C29 | O28 | C27 | H15 | 36.3° | 60.0° |
| C29 | O28 | C27 | H16 | 156.9° | 60.0° |
| O28 | C29 | H17 | H18 | 120.6° | 120.0° |
| O28 | C29 | C30 | H19 | 65.3° | 175.0° |
| O28 | C29 | C30 | H20 | 174.6° | 55.0° |
| O28 | C27 | C26 | H15 | 119.7° | 120.0° |
| O28 | C27 | C26 | H16 | 119.6° | 120.1° |
| O28 | C27 | C26 | N25 | 155.4° | 65.0° |
| O28 | C27 | C26 | H9 | 84.6° | 175.0° |
| O28 | C27 | C26 | H10 | 35.4° | 55.0° |
| O28 | C27 | H15 | H16 | 121.0° | 120.0° |
| C27 | O28 | C29 | H17 | 79.5° | 60.0° |
| C27 | O28 | C29 | H18 | 40.9° | 60.0° |
| C27 | C26 | N25 | H9 | 120.0° | 120.1° |
| C27 | C26 | N25 | H10 | 120.0° | 120.0° |
| C27 | C26 | N25 | C02 | 164.0° | 180.0° |
| C27 | C26 | H9 | H10 | 120.0° | 120.0° |
| C26 | C27 | H15 | H16 | 121.0° | 120.0° |
| C27 | C26 | N25 | H37 | 16.0° | 0.0° |
| C26 | N25 | C02 | H37 | 180.0° | 179.9° |
| C26 | N25 | C02 | O01 | 0.3° | 0.0° |
| C26 | N25 | C02 | C03 | 179.7° | 180.0° |
| N25 | C26 | H9 | H10 | 119.9° | 120.0° |
| N25 | C26 | C27 | H15 | 35.7° | 175.0° |
| N25 | C26 | C27 | H16 | 85.0° | 55.1° |
| N25 | C02 | O01 | C03 | 179.4° | 180.0° |
| N25 | C02 | C03 | C24 | 12.8° | 0.0° |
| N25 | C02 | C03 | C04 | 167.1° | 179.7° |
| C02 | N25 | C26 | H9 | 43.9° | 60.0° |
| C02 | N25 | C26 | H10 | 76.0° | 60.0° |
| O01 | C02 | C03 | C24 | 167.8° | 179.9° |
| O01 | C02 | C03 | C04 | 12.4° | 0.2° |
| O01 | C02 | N25 | H37 | 179.7° | 180.0° |
| C02 | C03 | C24 | C04 | 179.9° | 179.7° |
| C02 | C03 | C24 | C23 | 179.7° | 180.0° |
| C02 | C03 | C04 | C05 | 179.7° | 180.0° |
| C02 | C03 | C24 | H8 | 0.3° | 0.0° |
| C02 | C03 | C04 | H11 | 0.2° | 0.0° |
| C03 | C02 | N25 | H37 | 0.3° | 0.1° |
| C03 | C24 | C23 | H8 | 180.0° | 180.0° |
| C24 | C03 | C04 | C05 | 0.1° | 0.3° |
| C03 | C24 | C23 | C22 | 0.2° | 0.0° |
| C24 | C03 | C04 | H11 | 179.9° | 179.7° |
| C03 | C24 | C23 | H14 | 179.8° | 179.9° |
| C04 | C03 | C24 | C23 | 0.2° | 0.3° |
| C03 | C04 | C05 | H11 | 180.0° | 180.0° |
| C03 | C04 | C05 | C22 | 0.1° | 0.1° |
| C03 | C04 | C05 | C06 | 179.8° | 180.0° |
| C04 | C03 | C24 | H8 | 179.8° | 179.7° |
| C24 | C23 | C22 | H14 | 180.0° | 180.0° |
| C24 | C23 | C22 | C05 | 0.2° | 0.3° |
| C24 | C23 | C22 | H7 | 179.8° | 180.0° |
| C04 | C05 | C22 | C23 | 0.2° | 0.2° |
| C04 | C05 | C22 | C06 | 179.9° | 180.0° |
| C04 | C05 | C06 | C07 | 8.0° | 158.4° |
| C04 | C05 | C22 | H7 | 179.9° | 180.0° |
| C23 | C22 | C05 | H7 | 180.0° | 179.7° |
| C23 | C22 | C05 | C06 | 179.7° | 179.7° |
| C22 | C23 | C24 | H8 | 179.8° | 180.0° |
| C22 | C05 | C06 | C07 | 172.1° | 21.6° |
| C22 | C05 | C04 | H11 | 179.9° | 180.0° |
| C05 | C22 | C23 | H14 | 179.8° | 179.8° |
| C05 | C06 | C07 | C08 | 1.5° | 73.6° |
| C06 | C05 | C22 | H7 | 0.3° | 0.0° |
| C06 | C05 | C04 | H11 | 0.2° | 0.0° |
| C06 | C07 | C08 | O21 | 28.2° | 84.9° |
| C06 | C07 | C08 | C09 | 152.6° | 95.3° |
| C07 | C08 | O21 | C09 | 179.2° | 179.9° |
| C07 | C08 | O21 | C20 | 179.8° | 179.9° |
| C07 | C08 | C09 | C10 | 1.7° | 0.1° |
| C07 | C08 | C09 | C14 | 179.8° | 180.0° |
| C08 | O21 | C20 | C19 | 180.0° | 179.4° |
| C08 | O21 | C20 | C14 | 0.0° | 0.1° |
| O21 | C08 | C09 | C10 | 179.0° | 180.0° |
| O21 | C08 | C09 | C14 | 0.9° | 0.1° |
| C20 | O21 | C08 | C09 | 0.6° | 0.2° |
| O21 | C20 | C19 | C14 | 179.9° | 179.2° |
| O21 | C20 | C14 | C09 | 0.5° | 0.0° |
| O21 | C20 | C19 | C18 | 180.0° | 180.0° |
| O21 | C20 | C14 | C15 | 180.0° | 179.9° |
| O21 | C20 | C19 | H13 | 0.0° | 0.7° |
| C08 | C09 | C14 | C20 | 0.8° | 0.0° |
| C08 | C09 | C10 | C14 | 177.7° | 179.8° |
| C08 | C09 | C10 | C11 | 106.1° | 90.0° |
| C08 | C09 | C14 | C15 | 179.8° | 180.0° |
| C08 | C09 | C10 | H1 | 134.5° | 149.9° |
| C08 | C09 | C10 | H2 | 13.4° | 29.9° |
| O13 | C11 | C10 | C09 | 107.7° | 0.1° |
| O13 | C11 | C10 | O12 | 179.2° | 179.9° |
| O13 | C11 | C10 | H1 | 132.9° | 119.9° |
| O13 | C11 | C10 | H2 | 11.7° | 120.0° |
| O13 | C11 | O12 | H39 | 0.0° | 0.0° |
| C19 | C20 | C14 | C09 | 179.4° | 179.5° |
| C20 | C19 | C18 | H13 | 180.0° | 179.3° |
| C19 | C20 | C14 | C15 | 0.0° | 0.5° |
| C20 | C19 | C18 | C16 | 0.0° | 0.5° |
| C20 | C19 | C18 | H12 | 179.9° | 179.5° |
| C20 | C14 | C09 | C10 | 178.9° | 179.9° |
| C20 | C14 | C09 | C15 | 179.4° | 180.0° |
| C14 | C20 | C19 | C18 | 0.0° | 0.7° |
| C20 | C14 | C15 | C16 | 0.0° | 0.0° |
| C20 | C14 | C15 | H3 | 180.0° | 179.7° |
| C14 | C20 | C19 | H13 | 180.0° | 180.0° |
| C09 | C10 | C11 | H1 | 119.4° | 120.0° |
| C09 | C10 | C11 | H2 | 119.4° | 120.0° |
| C09 | C10 | C11 | O12 | 71.5° | 180.0° |
| C10 | C09 | C14 | C15 | 1.7° | 0.1° |
| C09 | C10 | H1 | H2 | 121.7° | 120.0° |
| C14 | C09 | C10 | C11 | 71.6° | 90.1° |
| C09 | C14 | C15 | C16 | 179.3° | 179.9° |
| C14 | C09 | C10 | H1 | 47.8° | 29.9° |
| C14 | C09 | C10 | H2 | 168.9° | 149.9° |
| C09 | C14 | C15 | H3 | 0.7° | 0.3° |
| C19 | C18 | C16 | H12 | 180.0° | 180.0° |
| C19 | C18 | C16 | C15 | 0.0° | 0.0° |
| C19 | C18 | C16 | C17 | 180.0° | 179.9° |
| C11 | C10 | H1 | H2 | 121.7° | 120.0° |
| C10 | C11 | O12 | H39 | 179.2° | 179.9° |
| O12 | C11 | C10 | H1 | 47.9° | 60.0° |
| O12 | C11 | C10 | H2 | 169.1° | 60.1° |
| C14 | C15 | C16 | C18 | 0.0° | 0.2° |
| C14 | C15 | C16 | H3 | 180.0° | 179.8° |
| C14 | C15 | C16 | C17 | 180.0° | 179.7° |
| C18 | C16 | C15 | C17 | 180.0° | 179.9° |
| C18 | C16 | C15 | H3 | 180.0° | 180.0° |
| C18 | C16 | C17 | H4 | 90.0° | 90.0° |
| C18 | C16 | C17 | H5 | 150.0° | 29.9° |
| C18 | C16 | C17 | H6 | 30.0° | 150.0° |
| C16 | C18 | C19 | H13 | 180.0° | 179.8° |
| C15 | C16 | C17 | H4 | 90.0° | 90.0° |
| C15 | C16 | C17 | H5 | 30.0° | 150.0° |
| C15 | C16 | C17 | H6 | 150.0° | 29.9° |
| C15 | C16 | C18 | H12 | 180.0° | 180.0° |
| C17 | C16 | C15 | H3 | 0.0° | 0.1° |
| C16 | C17 | H4 | H5 | 120.0° | 120.0° |
| C16 | C17 | H4 | H6 | 120.0° | 120.0° |
| C16 | C17 | H5 | H6 | 120.0° | 120.1° |
| C17 | C16 | C18 | H12 | 0.0° | 0.1° |
| H4 | C17 | H5 | H6 | 120.0° | 120.0° |
| H7 | C22 | C23 | H14 | 0.2° | 0.0° |
| H8 | C24 | C23 | H14 | 0.2° | 0.0° |
| H9 | C26 | C27 | H15 | 155.8° | 55.0° |
| H9 | C26 | C27 | H16 | 35.1° | 64.9° |
| H9 | C26 | N25 | H37 | 136.1° | 120.1° |
| H10 | C26 | C27 | H15 | 84.3° | 65.0° |
| H10 | C26 | C27 | H16 | 155.0° | 175.1° |
| H10 | C26 | N25 | H37 | 104.0° | 119.9° |
| H12 | C18 | C19 | H13 | 0.0° | 0.2° |
| H17 | C29 | C30 | H19 | 54.5° | 55.0° |
| H17 | C29 | C30 | H20 | 65.6° | 65.0° |
| H18 | C29 | C30 | H19 | 174.9° | 65.0° |
| H18 | C29 | C30 | H20 | 54.8° | 175.0° |
| H21 | C32 | C33 | H23 | 2.1° | 55.0° |
| H21 | C32 | C33 | H24 | 116.5° | 65.0° |
| H22 | C32 | C33 | H23 | 121.7° | 65.0° |
| H22 | C32 | C33 | H24 | 3.0° | 175.0° |
| H23 | C33 | N34 | H38 | 139.8° | 119.9° |
| H24 | C33 | N34 | H38 | 101.6° | 120.0° |
| H25 | C37 | C38 | H26 | 0.3° | 0.0° |
| H26 | C38 | C39 | H27 | 0.1° | 0.2° |
| H31 | C52 | H32 | H33 | 120.0° | 120.0° |
| H34 | C53 | C54 | H35 | 0.2° | 0.1° |
