YN0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C38 | C35 | sing | 1.53Å | 1.52Å | |
| C35 | O34 | sing | 1.45Å | 1.41Å | |
| C35 | C37 | sing | 1.53Å | 1.52Å | |
| C35 | C36 | sing | 1.53Å | 1.54Å | |
| O34 | C33 | sing | 1.35Å | 1.40Å | |
| C33 | N32 | sing | 1.35Å | 1.45Å | |
| C33 | O39 | doub | 1.22Å | 1.19Å | |
| N32 | C31 | sing | 1.47Å | 1.46Å | |
| C16 | C14 | sing | 1.53Å | 1.53Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C30 | C29 | sing | 1.53Å | 1.53Å | |
| C31 | C40 | sing | 1.53Å | 1.55Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C40 | C41 | sing | 1.53Å | 1.54Å | |
| C14 | C17 | sing | 1.53Å | 1.53Å | |
| C14 | C13 | sing | 1.51Å | 1.54Å | |
| C29 | C28 | sing | 1.53Å | 1.53Å | |
| C23 | C24 | sing | 1.53Å | 1.45Å | |
| C23 | C22 | sing | 1.53Å | 1.46Å | |
| C41 | C28 | sing | 1.53Å | 1.52Å | |
| C24 | C09 | sing | 1.53Å | 1.47Å | |
| C12 | C13 | doub | 1.38Å | 1.37Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.37Å | Aromatic |
| C09 | N10 | sing | 1.46Å | 1.55Å | |
| C09 | C08 | sing | 1.51Å | 1.50Å | |
| C13 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | N27 | sing | 1.46Å | 1.47Å | |
| C22 | C21 | sing | 1.50Å | 1.57Å | |
| N10 | C21 | sing | 1.33Å | 1.53Å | |
| N10 | C11 | sing | 1.40Å | 1.43Å | |
| C21 | O25 | doub | 1.21Å | 1.20Å | |
| C11 | C20 | doub | 1.39Å | 1.38Å | Aromatic |
| N27 | C08 | sing | 1.36Å | 1.33Å | Aromatic |
| N27 | C26 | sing | 1.38Å | 1.34Å | Aromatic |
| C08 | N07 | doub | 1.30Å | 1.34Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C42 | doub | 1.39Å | 1.41Å | Aromatic |
| C26 | C06 | sing | 1.41Å | 1.36Å | Aromatic |
| N07 | C06 | sing | 1.36Å | 1.35Å | Aromatic |
| C42 | C43 | sing | 1.38Å | 1.38Å | Aromatic |
| C06 | C05 | doub | 1.40Å | 1.40Å | Aromatic |
| C43 | C04 | doub | 1.40Å | 1.40Å | Aromatic |
| C05 | C04 | sing | 1.39Å | 1.39Å | Aromatic |
| C04 | C03 | sing | 1.48Å | 1.51Å | |
| C03 | C02 | doub | 1.37Å | 1.37Å | Aromatic |
| C03 | C44 | sing | 1.42Å | 1.39Å | Aromatic |
| C01 | C02 | sing | 1.51Å | 1.53Å | |
| C45 | C44 | sing | 1.51Å | 1.52Å | |
| C02 | O47 | sing | 1.34Å | 1.31Å | Aromatic |
| C44 | N46 | doub | 1.30Å | 1.35Å | Aromatic |
| O47 | N46 | sing | 1.21Å | 1.37Å | Aromatic |
| C15 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.08Å | 1.08Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C24 | H11 | sing | 1.09Å | 1.10Å | |
| C28 | H12 | sing | 1.09Å | 1.10Å | |
| C01 | H13 | sing | 1.09Å | 1.10Å | |
| C01 | H14 | sing | 1.09Å | 1.10Å | |
| C01 | H15 | sing | 1.09Å | 1.10Å | |
| C05 | H16 | sing | 1.08Å | 1.08Å | |
| C09 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.08Å | 1.08Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.08Å | 1.08Å | |
| C19 | H23 | sing | 1.08Å | 1.08Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C29 | H26 | sing | 1.09Å | 1.10Å | |
| C29 | H27 | sing | 1.09Å | 1.10Å | |
| C30 | H28 | sing | 1.09Å | 1.10Å | |
| C30 | H29 | sing | 1.09Å | 1.10Å | |
| C31 | H30 | sing | 1.09Å | 1.10Å | |
| C36 | H31 | sing | 1.09Å | 1.10Å | |
| C36 | H32 | sing | 1.09Å | 1.10Å | |
| C36 | H33 | sing | 1.09Å | 1.10Å | |
| C37 | H34 | sing | 1.09Å | 1.10Å | |
| C37 | H35 | sing | 1.09Å | 1.10Å | |
| C37 | H36 | sing | 1.09Å | 1.10Å | |
| C38 | H37 | sing | 1.09Å | 1.10Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C38 | H39 | sing | 1.09Å | 1.10Å | |
| C40 | H40 | sing | 1.09Å | 1.10Å | |
| C40 | H41 | sing | 1.09Å | 1.10Å | |
| C41 | H42 | sing | 1.09Å | 1.10Å | |
| C41 | H43 | sing | 1.09Å | 1.10Å | |
| C42 | H44 | sing | 1.08Å | 1.08Å | |
| C43 | H45 | sing | 1.08Å | 1.08Å | |
| C45 | H46 | sing | 1.09Å | 1.10Å | |
| C45 | H47 | sing | 1.09Å | 1.10Å | |
| C45 | H48 | sing | 1.09Å | 1.10Å | |
| N32 | H49 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C38 | C35 | O34 | 105.8° | 109.4° |
| C38 | C35 | C37 | 107.2° | 109.5° |
| C38 | C35 | C36 | 108.9° | 109.4° |
| C35 | C38 | H37 | 109.5° | 109.4° |
| C35 | C38 | H38 | 109.5° | 109.4° |
| C35 | C38 | H39 | 109.5° | 109.4° |
| O34 | C35 | C37 | 112.3° | 109.5° |
| O34 | C35 | C36 | 110.9° | 109.5° |
| C35 | O34 | C33 | 119.3° | 117.0° |
| C37 | C35 | C36 | 111.5° | 109.5° |
| C35 | C37 | H34 | 109.5° | 109.4° |
| C35 | C37 | H35 | 109.4° | 109.5° |
| C35 | C37 | H36 | 109.5° | 109.5° |
| C35 | C36 | H31 | 109.5° | 109.5° |
| C35 | C36 | H32 | 109.5° | 109.5° |
| C35 | C36 | H33 | 109.5° | 109.4° |
| O34 | C33 | N32 | 116.8° | 120.0° |
| O34 | C33 | O39 | 123.8° | 120.0° |
| N32 | C33 | O39 | 119.4° | 120.0° |
| C33 | N32 | C31 | 117.3° | 120.0° |
| C33 | N32 | H49 | 121.4° | 120.0° |
| N32 | C31 | C30 | 104.0° | 109.5° |
| N32 | C31 | C40 | 108.1° | 109.5° |
| N32 | C31 | H30 | 110.6° | 109.5° |
| C31 | N32 | H49 | 121.3° | 120.0° |
| C16 | C14 | C15 | 108.8° | 109.5° |
| C16 | C14 | C17 | 111.3° | 109.5° |
| C16 | C14 | C13 | 107.8° | 109.5° |
| C14 | C16 | H19 | 109.5° | 109.5° |
| C14 | C16 | H20 | 109.5° | 109.4° |
| C14 | C16 | H21 | 109.4° | 109.5° |
| C31 | C30 | C29 | 112.5° | 109.5° |
| C30 | C31 | C40 | 115.1° | 109.4° |
| C31 | C30 | H28 | 108.7° | 109.4° |
| C31 | C30 | H29 | 108.7° | 109.5° |
| C30 | C31 | H30 | 109.5° | 109.4° |
| C30 | C29 | C28 | 113.1° | 109.4° |
| C30 | C29 | H26 | 108.6° | 109.5° |
| C30 | C29 | H27 | 108.6° | 109.5° |
| C29 | C30 | H28 | 108.7° | 109.4° |
| C29 | C30 | H29 | 108.7° | 109.5° |
| C31 | C40 | C41 | 114.4° | 109.5° |
| C40 | C31 | H30 | 109.3° | 109.5° |
| C31 | C40 | H40 | 108.2° | 109.4° |
| C31 | C40 | H41 | 108.3° | 109.4° |
| C15 | C14 | C17 | 110.5° | 109.5° |
| C15 | C14 | C13 | 110.7° | 109.5° |
| C14 | C15 | H1 | 109.5° | 109.5° |
| C14 | C15 | H2 | 109.5° | 109.5° |
| C14 | C15 | H3 | 109.5° | 109.5° |
| C40 | C41 | C28 | 111.2° | 109.5° |
| C41 | C40 | H40 | 108.3° | 109.5° |
| C41 | C40 | H41 | 108.2° | 109.5° |
| C40 | C41 | H42 | 109.0° | 109.5° |
| C40 | C41 | H43 | 109.0° | 109.5° |
| C17 | C14 | C13 | 107.6° | 109.4° |
| C14 | C17 | H4 | 109.5° | 109.5° |
| C14 | C17 | H5 | 109.5° | 109.5° |
| C14 | C17 | H6 | 109.5° | 109.4° |
| C14 | C13 | C12 | 118.4° | 120.0° |
| C14 | C13 | C18 | 122.0° | 120.0° |
| C29 | C28 | C41 | 119.1° | 109.4° |
| C29 | C28 | N27 | 109.5° | 109.5° |
| C29 | C28 | H12 | 103.4° | 109.5° |
| C28 | C29 | H26 | 108.5° | 109.5° |
| C28 | C29 | H27 | 108.5° | 109.4° |
| C24 | C23 | C22 | 109.8° | 108.4° |
| C23 | C24 | C09 | 112.3° | 108.9° |
| C23 | C24 | H10 | 108.7° | 109.4° |
| C23 | C24 | H11 | 108.8° | 109.8° |
| C24 | C23 | H24 | 109.4° | 109.7° |
| C24 | C23 | H25 | 109.4° | 109.7° |
| C23 | C22 | C21 | 111.5° | 109.9° |
| C23 | C22 | H8 | 109.0° | 109.4° |
| C23 | C22 | H9 | 108.9° | 109.3° |
| C22 | C23 | H24 | 109.4° | 109.7° |
| C22 | C23 | H25 | 109.4° | 109.6° |
| C41 | C28 | N27 | 115.1° | 109.5° |
| C41 | C28 | H12 | 103.6° | 109.5° |
| C28 | C41 | H42 | 109.0° | 109.5° |
| C28 | C41 | H43 | 109.0° | 109.4° |
| C24 | C09 | N10 | 115.3° | 110.5° |
| C24 | C09 | C08 | 103.1° | 109.3° |
| C09 | C24 | H10 | 108.8° | 109.6° |
| C09 | C24 | H11 | 108.8° | 109.6° |
| C24 | C09 | H17 | 111.8° | 109.2° |
| C13 | C12 | C11 | 119.1° | 120.0° |
| C12 | C13 | C18 | 119.6° | 120.1° |
| C13 | C12 | H18 | 120.4° | 120.0° |
| C12 | C11 | N10 | 115.9° | 120.1° |
| C12 | C11 | C20 | 122.5° | 119.8° |
| C11 | C12 | H18 | 120.5° | 120.0° |
| N10 | C09 | C08 | 103.9° | 109.3° |
| C09 | N10 | C21 | 119.9° | 124.1° |
| C09 | N10 | C11 | 117.1° | 118.0° |
| N10 | C09 | H17 | 110.7° | 109.3° |
| C09 | C08 | N27 | 130.4° | 124.9° |
| C09 | C08 | N07 | 119.7° | 124.9° |
| C08 | C09 | H17 | 111.4° | 109.2° |
| C13 | C18 | C19 | 120.9° | 120.1° |
| C13 | C18 | H22 | 119.6° | 119.9° |
| C28 | N27 | C08 | 138.0° | 126.4° |
| C28 | N27 | C26 | 115.0° | 126.4° |
| N27 | C28 | H12 | 104.0° | 109.5° |
| C22 | C21 | N10 | 113.9° | 123.6° |
| C22 | C21 | O25 | 123.2° | 118.2° |
| C21 | C22 | H8 | 108.9° | 109.4° |
| C21 | C22 | H9 | 108.9° | 109.4° |
| C21 | N10 | C11 | 123.0° | 118.0° |
| N10 | C21 | O25 | 122.8° | 118.2° |
| N10 | C11 | C20 | 121.7° | 120.1° |
| C11 | C20 | C19 | 118.4° | 120.0° |
| C11 | C20 | H7 | 120.8° | 120.0° |
| C08 | N27 | C26 | 106.9° | 107.3° |
| N27 | C08 | N07 | 109.9° | 110.2° |
| N27 | C26 | C42 | 128.0° | 133.9° |
| N27 | C26 | C06 | 108.8° | 106.0° |
| C08 | N07 | C06 | 107.3° | 109.6° |
| C18 | C19 | C20 | 119.6° | 120.1° |
| C19 | C18 | H22 | 119.6° | 119.9° |
| C18 | C19 | H23 | 120.2° | 120.0° |
| C19 | C20 | H7 | 120.8° | 120.0° |
| C20 | C19 | H23 | 120.2° | 119.9° |
| C42 | C26 | C06 | 123.2° | 120.1° |
| C26 | C42 | C43 | 118.3° | 120.0° |
| C26 | C42 | H44 | 120.8° | 120.0° |
| C26 | C06 | N07 | 107.2° | 107.0° |
| C26 | C06 | C05 | 119.0° | 119.6° |
| N07 | C06 | C05 | 133.8° | 133.5° |
| C42 | C43 | C04 | 118.6° | 120.4° |
| C43 | C42 | H44 | 120.8° | 120.0° |
| C42 | C43 | H45 | 120.7° | 119.8° |
| C06 | C05 | C04 | 118.0° | 119.7° |
| C06 | C05 | H16 | 121.0° | 120.1° |
| C43 | C04 | C05 | 122.9° | 120.2° |
| C43 | C04 | C03 | 118.3° | 119.9° |
| C04 | C43 | H45 | 120.7° | 119.8° |
| C05 | C04 | C03 | 118.8° | 119.9° |
| C04 | C05 | H16 | 121.0° | 120.2° |
| C04 | C03 | C02 | 123.9° | 128.2° |
| C04 | C03 | C44 | 127.2° | 128.2° |
| C02 | C03 | C44 | 108.8° | 103.7° |
| C03 | C02 | C01 | 128.1° | 126.8° |
| C03 | C02 | O47 | 106.6° | 106.3° |
| C03 | C44 | C45 | 127.0° | 126.9° |
| C03 | C44 | N46 | 106.3° | 106.3° |
| C01 | C02 | O47 | 125.3° | 126.9° |
| C02 | C01 | H13 | 109.5° | 109.4° |
| C02 | C01 | H14 | 109.4° | 109.5° |
| C02 | C01 | H15 | 109.5° | 109.5° |
| C45 | C44 | N46 | 126.7° | 126.9° |
| C44 | C45 | H46 | 109.5° | 109.5° |
| C44 | C45 | H47 | 109.5° | 109.5° |
| C44 | C45 | H48 | 109.5° | 109.5° |
| C02 | O47 | N46 | 110.8° | 111.9° |
| C44 | N46 | O47 | 107.4° | 111.9° |
| H1 | C15 | H2 | 109.5° | 109.4° |
| H1 | C15 | H3 | 109.5° | 109.5° |
| H2 | C15 | H3 | 109.5° | 109.4° |
| H4 | C17 | H5 | 109.5° | 109.4° |
| H4 | C17 | H6 | 109.4° | 109.4° |
| H5 | C17 | H6 | 109.5° | 109.5° |
| H8 | C22 | H9 | 109.5° | 109.4° |
| H10 | C24 | H11 | 109.5° | 109.6° |
| H13 | C01 | H14 | 109.5° | 109.5° |
| H13 | C01 | H15 | 109.4° | 109.4° |
| H14 | C01 | H15 | 109.5° | 109.5° |
| H19 | C16 | H20 | 109.4° | 109.5° |
| H19 | C16 | H21 | 109.5° | 109.5° |
| H20 | C16 | H21 | 109.5° | 109.5° |
| H24 | C23 | H25 | 109.5° | 109.7° |
| H26 | C29 | H27 | 109.5° | 109.5° |
| H28 | C30 | H29 | 109.5° | 109.5° |
| H31 | C36 | H32 | 109.5° | 109.5° |
| H31 | C36 | H33 | 109.5° | 109.5° |
| H32 | C36 | H33 | 109.5° | 109.4° |
| H34 | C37 | H35 | 109.5° | 109.5° |
| H34 | C37 | H36 | 109.4° | 109.4° |
| H35 | C37 | H36 | 109.5° | 109.5° |
| H37 | C38 | H38 | 109.4° | 109.5° |
| H37 | C38 | H39 | 109.5° | 109.5° |
| H38 | C38 | H39 | 109.5° | 109.5° |
| H40 | C40 | H41 | 109.4° | 109.5° |
| H42 | C41 | H43 | 109.5° | 109.4° |
| H46 | C45 | H47 | 109.4° | 109.5° |
| H46 | C45 | H48 | 109.5° | 109.4° |
| H47 | C45 | H48 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C38 | C35 | O34 | C37 | 116.6° | 120.0° |
| C38 | C35 | O34 | C36 | 117.9° | 119.9° |
| C38 | C35 | C37 | C36 | 119.1° | 119.9° |
| C38 | C35 | O34 | C33 | 178.1° | 60.1° |
| C38 | C35 | C36 | H31 | 180.0° | 60.0° |
| C38 | C35 | C36 | H32 | 60.0° | 60.1° |
| C38 | C35 | C36 | H33 | 60.0° | 180.0° |
| C38 | C35 | C37 | H34 | 180.0° | 180.0° |
| C38 | C35 | C37 | H35 | 60.0° | 60.0° |
| C38 | C35 | C37 | H36 | 60.0° | 60.1° |
| C35 | C38 | H37 | H38 | 120.0° | 120.0° |
| C35 | C38 | H37 | H39 | 120.0° | 119.9° |
| C35 | C38 | H38 | H39 | 120.0° | 120.0° |
| O34 | C35 | C37 | C36 | 125.1° | 120.1° |
| C35 | O34 | C33 | N32 | 167.1° | 180.0° |
| C35 | O34 | C33 | O39 | 11.2° | 0.1° |
| O34 | C35 | C36 | H31 | 64.0° | 59.9° |
| O34 | C35 | C36 | H32 | 56.1° | 180.0° |
| O34 | C35 | C36 | H33 | 176.0° | 60.1° |
| O34 | C35 | C37 | H34 | 64.2° | 60.0° |
| O34 | C35 | C37 | H35 | 175.8° | 180.0° |
| O34 | C35 | C37 | H36 | 55.8° | 59.9° |
| O34 | C35 | C38 | H37 | 180.0° | 60.0° |
| O34 | C35 | C38 | H38 | 60.0° | 180.0° |
| O34 | C35 | C38 | H39 | 60.0° | 60.0° |
| C37 | C35 | O34 | C33 | 65.2° | 59.9° |
| C37 | C35 | C36 | H31 | 61.9° | 180.0° |
| C37 | C35 | C36 | H32 | 178.0° | 59.9° |
| C37 | C35 | C36 | H33 | 58.1° | 60.0° |
| C35 | C37 | H34 | H35 | 120.0° | 120.0° |
| C35 | C37 | H34 | H36 | 120.0° | 120.0° |
| C35 | C37 | H35 | H36 | 120.0° | 120.1° |
| C37 | C35 | C38 | H37 | 60.0° | 60.0° |
| C37 | C35 | C38 | H38 | 179.9° | 60.0° |
| C37 | C35 | C38 | H39 | 60.1° | 180.0° |
| C36 | C35 | O34 | C33 | 60.2° | 180.0° |
| C35 | C36 | H31 | H32 | 120.0° | 120.1° |
| C35 | C36 | H31 | H33 | 120.0° | 120.0° |
| C35 | C36 | H32 | H33 | 120.0° | 119.9° |
| C36 | C35 | C37 | H34 | 61.0° | 60.1° |
| C36 | C35 | C37 | H35 | 59.1° | 59.9° |
| C36 | C35 | C37 | H36 | 179.1° | 180.0° |
| C36 | C35 | C38 | H37 | 60.7° | 180.0° |
| C36 | C35 | C38 | H38 | 59.2° | 60.0° |
| C36 | C35 | C38 | H39 | 179.2° | 60.0° |
| O34 | C33 | N32 | O39 | 178.4° | 180.0° |
| O34 | C33 | N32 | C31 | 168.6° | 179.9° |
| O34 | C33 | N32 | H49 | 11.4° | 0.1° |
| C33 | N32 | C31 | H49 | 180.0° | 180.0° |
| C33 | N32 | C31 | C30 | 89.4° | 155.0° |
| C33 | N32 | C31 | C40 | 147.8° | 85.0° |
| C33 | N32 | C31 | H30 | 28.1° | 35.0° |
| O39 | C33 | N32 | C31 | 13.1° | 0.0° |
| O39 | C33 | N32 | H49 | 166.9° | 180.0° |
| N32 | C31 | C30 | C40 | 118.1° | 120.0° |
| N32 | C31 | C30 | H30 | 118.3° | 120.0° |
| N32 | C31 | C30 | C29 | 170.1° | 59.9° |
| N32 | C31 | C40 | H30 | 120.5° | 120.0° |
| N32 | C31 | C40 | C41 | 159.5° | 60.0° |
| N32 | C31 | C30 | H28 | 69.5° | 60.0° |
| N32 | C31 | C30 | H29 | 49.7° | 180.0° |
| N32 | C31 | C40 | H40 | 38.8° | 60.0° |
| N32 | C31 | C40 | H41 | 79.8° | 180.0° |
| C16 | C14 | C15 | C17 | 122.5° | 120.0° |
| C16 | C14 | C15 | C13 | 118.4° | 120.0° |
| C16 | C14 | C17 | C13 | 118.0° | 120.0° |
| C16 | C14 | C13 | C12 | 49.5° | 59.8° |
| C16 | C14 | C13 | C18 | 129.2° | 120.0° |
| C16 | C14 | C15 | H1 | 180.0° | 60.0° |
| C16 | C14 | C15 | H2 | 60.0° | 60.0° |
| C16 | C14 | C15 | H3 | 60.0° | 180.0° |
| C16 | C14 | C17 | H4 | 180.0° | 180.0° |
| C16 | C14 | C17 | H5 | 60.0° | 60.0° |
| C16 | C14 | C17 | H6 | 60.0° | 60.0° |
| C14 | C16 | H19 | H20 | 120.0° | 120.0° |
| C14 | C16 | H19 | H21 | 120.0° | 120.0° |
| C14 | C16 | H20 | H21 | 120.0° | 120.0° |
| C31 | C30 | C29 | H28 | 120.5° | 119.9° |
| C31 | C30 | C29 | H29 | 120.4° | 120.0° |
| C30 | C31 | C40 | H30 | 123.7° | 120.0° |
| C30 | C31 | C40 | C41 | 43.7° | 60.0° |
| C31 | C30 | C29 | C28 | 10.7° | 60.1° |
| C31 | C30 | C29 | H26 | 109.8° | 60.0° |
| C31 | C30 | C29 | H27 | 131.3° | 180.0° |
| C31 | C30 | H28 | H29 | 118.6° | 120.0° |
| C30 | C31 | C40 | H40 | 77.1° | 180.0° |
| C30 | C31 | C40 | H41 | 164.4° | 60.0° |
| C30 | C31 | N32 | H49 | 90.6° | 25.0° |
| C29 | C30 | C31 | C40 | 51.9° | 60.1° |
| C30 | C29 | C28 | H26 | 120.5° | 120.1° |
| C30 | C29 | C28 | H27 | 120.5° | 119.9° |
| C30 | C29 | C28 | C41 | 39.9° | 60.0° |
| C30 | C29 | C28 | N27 | 175.4° | 180.0° |
| C30 | C29 | C28 | H12 | 74.2° | 59.9° |
| C30 | C29 | H26 | H27 | 118.4° | 120.0° |
| C29 | C30 | H28 | H29 | 118.6° | 120.0° |
| C29 | C30 | C31 | H30 | 71.6° | 179.9° |
| C31 | C40 | C41 | H40 | 120.7° | 119.9° |
| C31 | C40 | C41 | H41 | 120.7° | 120.0° |
| C31 | C40 | C41 | C28 | 5.0° | 60.0° |
| C40 | C31 | C30 | H28 | 172.4° | 180.0° |
| C40 | C31 | C30 | H29 | 68.5° | 60.0° |
| C31 | C40 | H40 | H41 | 117.8° | 120.0° |
| C31 | C40 | C41 | H42 | 115.2° | 180.0° |
| C31 | C40 | C41 | H43 | 125.3° | 60.0° |
| C40 | C31 | N32 | H49 | 32.2° | 95.0° |
| C15 | C14 | C17 | C13 | 121.0° | 120.0° |
| C15 | C14 | C13 | C12 | 69.5° | 179.8° |
| C15 | C14 | C13 | C18 | 111.8° | 0.0° |
| C14 | C15 | H1 | H2 | 120.0° | 120.0° |
| C14 | C15 | H1 | H3 | 120.0° | 120.1° |
| C14 | C15 | H2 | H3 | 120.0° | 120.0° |
| C15 | C14 | C17 | H4 | 58.9° | 60.0° |
| C15 | C14 | C17 | H5 | 178.9° | 180.0° |
| C15 | C14 | C17 | H6 | 61.1° | 60.0° |
| C15 | C14 | C16 | H19 | 180.0° | 60.0° |
| C15 | C14 | C16 | H20 | 60.0° | 180.0° |
| C15 | C14 | C16 | H21 | 60.0° | 60.0° |
| C40 | C41 | C28 | C29 | 48.0° | 60.0° |
| C40 | C41 | C28 | H42 | 120.2° | 120.0° |
| C40 | C41 | C28 | H43 | 120.3° | 120.0° |
| C40 | C41 | C28 | N27 | 178.9° | 180.0° |
| C40 | C41 | C28 | H12 | 66.1° | 60.0° |
| C41 | C40 | C31 | H30 | 80.0° | 180.0° |
| C41 | C40 | H40 | H41 | 117.7° | 120.1° |
| C40 | C41 | H42 | H43 | 119.2° | 120.0° |
| C17 | C14 | C13 | C12 | 169.7° | 60.3° |
| C17 | C14 | C13 | C18 | 9.0° | 120.0° |
| C17 | C14 | C15 | H1 | 57.5° | 60.1° |
| C17 | C14 | C15 | H2 | 62.5° | 180.0° |
| C17 | C14 | C15 | H3 | 177.5° | 60.0° |
| C14 | C17 | H4 | H5 | 120.0° | 120.1° |
| C14 | C17 | H4 | H6 | 120.0° | 119.9° |
| C14 | C17 | H5 | H6 | 120.0° | 120.0° |
| C17 | C14 | C16 | H19 | 58.0° | 60.0° |
| C17 | C14 | C16 | H20 | 178.0° | 60.0° |
| C17 | C14 | C16 | H21 | 62.0° | 180.0° |
| C14 | C13 | C12 | C18 | 178.7° | 179.8° |
| C14 | C13 | C12 | C11 | 178.9° | 179.7° |
| C14 | C13 | C18 | C19 | 179.2° | 179.7° |
| C13 | C14 | C15 | H1 | 61.7° | 180.0° |
| C13 | C14 | C15 | H2 | 178.4° | 60.0° |
| C13 | C14 | C15 | H3 | 58.4° | 60.0° |
| C13 | C14 | C17 | H4 | 62.0° | 60.0° |
| C13 | C14 | C17 | H5 | 58.0° | 60.0° |
| C13 | C14 | C17 | H6 | 178.0° | 180.0° |
| C14 | C13 | C12 | H18 | 1.1° | 0.2° |
| C13 | C14 | C16 | H19 | 59.8° | 180.0° |
| C13 | C14 | C16 | H20 | 60.2° | 60.0° |
| C13 | C14 | C16 | H21 | 179.9° | 60.0° |
| C14 | C13 | C18 | H22 | 0.8° | 0.2° |
| C29 | C28 | C41 | N27 | 133.1° | 120.0° |
| C29 | C28 | C41 | H12 | 114.1° | 120.0° |
| C29 | C28 | N27 | H12 | 110.0° | 120.0° |
| C29 | C28 | N27 | C08 | 62.3° | 120.0° |
| C29 | C28 | N27 | C26 | 113.3° | 60.4° |
| C28 | C29 | H26 | H27 | 118.3° | 120.0° |
| C28 | C29 | C30 | H28 | 131.2° | 180.0° |
| C28 | C29 | C30 | H29 | 109.7° | 60.0° |
| C29 | C28 | C41 | H42 | 72.3° | 179.9° |
| C29 | C28 | C41 | H43 | 168.2° | 60.0° |
| C24 | C23 | C22 | H24 | 120.0° | 119.7° |
| C24 | C23 | C22 | H25 | 120.1° | 119.7° |
| C23 | C24 | C09 | H10 | 120.4° | 119.6° |
| C23 | C24 | C09 | H11 | 120.4° | 120.1° |
| C23 | C24 | C09 | N10 | 36.1° | 50.6° |
| C23 | C24 | C09 | C08 | 148.7° | 170.9° |
| C24 | C23 | C22 | C21 | 64.4° | 48.9° |
| C24 | C23 | C22 | H8 | 55.9° | 169.0° |
| C24 | C23 | C22 | H9 | 175.3° | 71.2° |
| C23 | C24 | H10 | H11 | 118.7° | 120.4° |
| C23 | C24 | C09 | H17 | 91.5° | 69.7° |
| C24 | C23 | H24 | H25 | 119.9° | 120.6° |
| C22 | C23 | C24 | C09 | 68.8° | 67.3° |
| C23 | C22 | C21 | H8 | 120.3° | 120.1° |
| C23 | C22 | C21 | H9 | 120.3° | 120.0° |
| C23 | C22 | C21 | N10 | 29.5° | 17.8° |
| C23 | C22 | C21 | O25 | 149.6° | 162.4° |
| C23 | C22 | H8 | H9 | 119.1° | 119.7° |
| C22 | C23 | C24 | H10 | 170.8° | 52.4° |
| C22 | C23 | C24 | H11 | 51.7° | 172.6° |
| C22 | C23 | H24 | H25 | 119.9° | 120.5° |
| C41 | C28 | N27 | H12 | 112.6° | 120.0° |
| C41 | C28 | N27 | C08 | 75.1° | 120.0° |
| C41 | C28 | N27 | C26 | 109.2° | 59.6° |
| C41 | C28 | C29 | H26 | 160.5° | 60.0° |
| C41 | C28 | C29 | H27 | 80.6° | 180.0° |
| C28 | C41 | C40 | H40 | 125.8° | 180.0° |
| C28 | C41 | C40 | H41 | 115.7° | 59.9° |
| C28 | C41 | H42 | H43 | 119.2° | 119.9° |
| C24 | C09 | N10 | C08 | 112.1° | 120.4° |
| C24 | C09 | N10 | H17 | 128.2° | 120.2° |
| C24 | C09 | C08 | H17 | 120.1° | 119.4° |
| C24 | C09 | N10 | C21 | 3.0° | 19.0° |
| C24 | C09 | N10 | C11 | 177.2° | 160.9° |
| C24 | C09 | C08 | N27 | 98.7° | 105.3° |
| C24 | C09 | C08 | N07 | 79.8° | 75.1° |
| C09 | C24 | H10 | H11 | 118.7° | 120.3° |
| C09 | C24 | C23 | H24 | 171.2° | 52.4° |
| C09 | C24 | C23 | H25 | 51.3° | 173.0° |
| C13 | C12 | C11 | H18 | 180.0° | 179.9° |
| C13 | C12 | C11 | N10 | 179.8° | 180.0° |
| C13 | C12 | C11 | C20 | 0.8° | 0.1° |
| C12 | C13 | C18 | C19 | 0.6° | 0.0° |
| C12 | C13 | C18 | H22 | 179.4° | 180.0° |
| C12 | C11 | N10 | C09 | 64.9° | 112.6° |
| C11 | C12 | C13 | C18 | 0.1° | 0.1° |
| C12 | C11 | N10 | C21 | 114.9° | 67.3° |
| C12 | C11 | N10 | C20 | 179.0° | 179.9° |
| C12 | C11 | C20 | C19 | 1.2° | 0.0° |
| C12 | C11 | C20 | H7 | 178.8° | 180.0° |
| N10 | C09 | C08 | H17 | 119.2° | 119.5° |
| C09 | N10 | C21 | C22 | 0.0° | 2.4° |
| C09 | N10 | C21 | C11 | 179.8° | 179.9° |
| C09 | N10 | C21 | O25 | 179.1° | 177.8° |
| C09 | N10 | C11 | C20 | 114.1° | 67.3° |
| N10 | C09 | C08 | N27 | 140.6° | 133.7° |
| N10 | C09 | C08 | N07 | 40.9° | 46.0° |
| N10 | C09 | C24 | H10 | 156.5° | 69.1° |
| N10 | C09 | C24 | H11 | 84.3° | 170.7° |
| C09 | C08 | N27 | C28 | 1.4° | 0.2° |
| C08 | C09 | N10 | C21 | 115.0° | 139.4° |
| C08 | C09 | N10 | C11 | 65.1° | 40.6° |
| C09 | C08 | N27 | N07 | 178.6° | 179.7° |
| C09 | C08 | N27 | C26 | 177.2° | 179.9° |
| C09 | C08 | N07 | C06 | 178.1° | 179.9° |
| C08 | C09 | C24 | H10 | 90.9° | 51.3° |
| C08 | C09 | C24 | H11 | 28.2° | 69.0° |
| C13 | C18 | C19 | H22 | 180.0° | 180.0° |
| C13 | C18 | C19 | C20 | 0.1° | 0.0° |
| C18 | C13 | C12 | H18 | 179.8° | 179.9° |
| C13 | C18 | C19 | H23 | 179.9° | 180.0° |
| C28 | N27 | C08 | C26 | 175.8° | 179.7° |
| C28 | N27 | C08 | N07 | 177.2° | 180.0° |
| C28 | N27 | C26 | C42 | 2.8° | 0.2° |
| C28 | N27 | C26 | C06 | 178.4° | 180.0° |
| N27 | C28 | C29 | H26 | 64.1° | 60.0° |
| N27 | C28 | C29 | H27 | 54.8° | 60.0° |
| N27 | C28 | C41 | H42 | 60.8° | 59.9° |
| N27 | C28 | C41 | H43 | 58.7° | 60.0° |
| C22 | C21 | N10 | O25 | 179.1° | 179.8° |
| C22 | C21 | N10 | C11 | 179.8° | 177.5° |
| C21 | C22 | H8 | H9 | 119.1° | 119.8° |
| C21 | C22 | C23 | H24 | 175.6° | 70.8° |
| C21 | C22 | C23 | H25 | 55.7° | 168.6° |
| C21 | N10 | C11 | C20 | 66.1° | 112.8° |
| N10 | C21 | C22 | H8 | 90.8° | 138.0° |
| N10 | C21 | C22 | H9 | 149.8° | 102.2° |
| C21 | N10 | C09 | H17 | 125.2° | 101.2° |
| C11 | N10 | C21 | O25 | 0.7° | 2.3° |
| N10 | C11 | C20 | C19 | 179.8° | 180.0° |
| N10 | C11 | C20 | H7 | 0.2° | 0.0° |
| C11 | N10 | C09 | H17 | 54.6° | 78.8° |
| N10 | C11 | C12 | H18 | 0.3° | 0.1° |
| O25 | C21 | C22 | H8 | 90.1° | 42.3° |
| O25 | C21 | C22 | H9 | 29.3° | 77.5° |
| C11 | C20 | C19 | C18 | 0.8° | 0.0° |
| C11 | C20 | C19 | H7 | 180.0° | 180.0° |
| C20 | C11 | C12 | H18 | 179.3° | 179.9° |
| C11 | C20 | C19 | H23 | 179.2° | 180.0° |
| C08 | N27 | C26 | C42 | 179.8° | 179.9° |
| C08 | N27 | C26 | C06 | 1.5° | 0.3° |
| N27 | C08 | N07 | C06 | 0.6° | 0.2° |
| C08 | N27 | C28 | H12 | 172.3° | 0.0° |
| N27 | C08 | C09 | H17 | 21.4° | 14.2° |
| C26 | N27 | C08 | N07 | 1.3° | 0.4° |
| N27 | C26 | C42 | C06 | 178.6° | 179.7° |
| N27 | C26 | C06 | N07 | 1.1° | 0.2° |
| N27 | C26 | C42 | C43 | 179.0° | 179.7° |
| N27 | C26 | C06 | C05 | 178.4° | 179.8° |
| C26 | N27 | C28 | H12 | 3.3° | 179.6° |
| N27 | C26 | C42 | H44 | 1.0° | 0.3° |
| C08 | N07 | C06 | C26 | 0.3° | 0.0° |
| C08 | N07 | C06 | C05 | 179.2° | 179.9° |
| N07 | C08 | C09 | H17 | 160.2° | 165.5° |
| C18 | C19 | C20 | H23 | 180.0° | 180.0° |
| C18 | C19 | C20 | H7 | 179.2° | 180.0° |
| C20 | C19 | C18 | H22 | 179.9° | 180.0° |
| C42 | C26 | C06 | N07 | 179.9° | 180.0° |
| C26 | C42 | C43 | H44 | 180.0° | 180.0° |
| C42 | C26 | C06 | C05 | 0.4° | 0.1° |
| C26 | C42 | C43 | C04 | 1.1° | 0.0° |
| C26 | C42 | C43 | H45 | 178.9° | 180.0° |
| C26 | C06 | N07 | C05 | 179.5° | 179.9° |
| C06 | C26 | C42 | C43 | 0.4° | 0.0° |
| C26 | C06 | C05 | C04 | 0.5° | 0.1° |
| C26 | C06 | C05 | H16 | 179.5° | 180.0° |
| C06 | C26 | C42 | H44 | 179.6° | 179.9° |
| N07 | C06 | C05 | C04 | 179.9° | 180.0° |
| N07 | C06 | C05 | H16 | 0.1° | 0.1° |
| C42 | C43 | C04 | H45 | 180.0° | 180.0° |
| C42 | C43 | C04 | C05 | 1.0° | 0.1° |
| C42 | C43 | C04 | C03 | 178.7° | 180.0° |
| C06 | C05 | C04 | C43 | 0.1° | 0.1° |
| C06 | C05 | C04 | H16 | 180.0° | 179.9° |
| C06 | C05 | C04 | C03 | 177.9° | 180.0° |
| C43 | C04 | C05 | C03 | 177.7° | 179.9° |
| C43 | C04 | C03 | C02 | 124.1° | 65.0° |
| C43 | C04 | C03 | C44 | 54.7° | 114.9° |
| C43 | C04 | C05 | H16 | 179.8° | 180.0° |
| C04 | C43 | C42 | H44 | 178.9° | 179.9° |
| C05 | C04 | C03 | C02 | 53.7° | 115.1° |
| C05 | C04 | C03 | C44 | 127.5° | 65.0° |
| C05 | C04 | C43 | H45 | 179.0° | 180.0° |
| C04 | C03 | C02 | C44 | 179.0° | 180.0° |
| C04 | C03 | C02 | C01 | 0.6° | 0.0° |
| C04 | C03 | C44 | C45 | 1.0° | 0.1° |
| C04 | C03 | C02 | O47 | 178.4° | 179.8° |
| C04 | C03 | C44 | N46 | 179.2° | 180.0° |
| C03 | C04 | C05 | H16 | 2.1° | 0.1° |
| C03 | C04 | C43 | H45 | 1.3° | 0.1° |
| C03 | C02 | C01 | O47 | 178.8° | 179.7° |
| C02 | C03 | C44 | C45 | 179.9° | 179.9° |
| C02 | C03 | C44 | N46 | 0.3° | 0.1° |
| C03 | C02 | O47 | N46 | 1.2° | 0.4° |
| C03 | C02 | C01 | H13 | 178.9° | 179.7° |
| C03 | C02 | C01 | H14 | 58.8° | 59.7° |
| C03 | C02 | C01 | H15 | 61.2° | 60.3° |
| C44 | C03 | C02 | C01 | 179.6° | 180.0° |
| C03 | C44 | C45 | N46 | 179.8° | 179.8° |
| C44 | C03 | C02 | O47 | 0.6° | 0.3° |
| C03 | C44 | N46 | O47 | 1.0° | 0.2° |
| C03 | C44 | C45 | H46 | 179.8° | 89.9° |
| C03 | C44 | C45 | H47 | 59.8° | 150.1° |
| C03 | C44 | C45 | H48 | 60.2° | 30.1° |
| C01 | C02 | O47 | N46 | 179.7° | 179.9° |
| C02 | C01 | H13 | H14 | 120.0° | 120.0° |
| C02 | C01 | H13 | H15 | 120.0° | 120.0° |
| C02 | C01 | H14 | H15 | 120.0° | 120.1° |
| C45 | C44 | N46 | O47 | 179.2° | 179.7° |
| C44 | C45 | H46 | H47 | 120.0° | 120.0° |
| C44 | C45 | H46 | H48 | 120.0° | 120.0° |
| C44 | C45 | H47 | H48 | 120.0° | 120.0° |
| C02 | O47 | N46 | C44 | 1.4° | 0.4° |
| O47 | C02 | C01 | H13 | 0.0° | 0.0° |
| O47 | C02 | C01 | H14 | 120.0° | 120.0° |
| O47 | C02 | C01 | H15 | 120.0° | 119.9° |
| N46 | C44 | C45 | H46 | 0.0° | 89.9° |
| N46 | C44 | C45 | H47 | 120.0° | 30.1° |
| N46 | C44 | C45 | H48 | 120.0° | 150.1° |
| H1 | C15 | H2 | H3 | 120.0° | 120.0° |
| H4 | C17 | H5 | H6 | 120.0° | 119.9° |
| H7 | C20 | C19 | H23 | 0.8° | 0.0° |
| H8 | C22 | C23 | H24 | 64.1° | 49.3° |
| H8 | C22 | C23 | H25 | 176.0° | 71.3° |
| H9 | C22 | C23 | H24 | 55.3° | 169.1° |
| H9 | C22 | C23 | H25 | 64.6° | 48.5° |
| H10 | C24 | C09 | H17 | 28.9° | 170.7° |
| H10 | C24 | C23 | H24 | 50.8° | 172.1° |
| H10 | C24 | C23 | H25 | 69.1° | 67.3° |
| H11 | C24 | C09 | H17 | 148.1° | 50.4° |
| H11 | C24 | C23 | H24 | 68.4° | 67.6° |
| H11 | C24 | C23 | H25 | 171.7° | 53.0° |
| H12 | C28 | C29 | H26 | 46.3° | 180.0° |
| H12 | C28 | C29 | H27 | 165.2° | 60.0° |
| H12 | C28 | C41 | H42 | 173.6° | 60.1° |
| H12 | C28 | C41 | H43 | 54.1° | 180.0° |
| H13 | C01 | H14 | H15 | 120.0° | 119.9° |
| H19 | C16 | H20 | H21 | 120.0° | 120.1° |
| H22 | C18 | C19 | H23 | 0.1° | 0.0° |
| H26 | C29 | C30 | H28 | 10.7° | 60.0° |
| H26 | C29 | C30 | H29 | 129.8° | 180.0° |
| H27 | C29 | C30 | H28 | 108.3° | 60.1° |
| H27 | C29 | C30 | H29 | 10.8° | 60.0° |
| H28 | C30 | C31 | H30 | 48.8° | 60.0° |
| H29 | C30 | C31 | H30 | 167.9° | 60.0° |
| H30 | C31 | C40 | H40 | 159.3° | 60.0° |
| H30 | C31 | C40 | H41 | 40.7° | 60.0° |
| H30 | C31 | N32 | H49 | 151.9° | 145.0° |
| H31 | C36 | H32 | H33 | 120.0° | 120.0° |
| H34 | C37 | H35 | H36 | 120.0° | 120.0° |
| H37 | C38 | H38 | H39 | 120.0° | 120.1° |
| H40 | C40 | C41 | H42 | 5.5° | 60.0° |
| H40 | C40 | C41 | H43 | 114.0° | 60.0° |
| H41 | C40 | C41 | H42 | 124.0° | 60.1° |
| H41 | C40 | C41 | H43 | 4.5° | 179.9° |
| H44 | C42 | C43 | H45 | 1.1° | 0.0° |
| H46 | C45 | H47 | H48 | 120.0° | 120.0° |
