OYR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C41 | C42 | doub | 1.38Å | 1.39Å | Aromatic |
| C41 | C40 | sing | 1.38Å | 1.39Å | Aromatic |
| O03 | C02 | doub | 1.21Å | 1.26Å | |
| C42 | C37 | sing | 1.39Å | 1.39Å | Aromatic |
| O49 | C48 | doub | 1.21Å | 1.26Å | |
| C40 | C39 | doub | 1.38Å | 1.39Å | Aromatic |
| C02 | C04 | sing | 1.48Å | 1.53Å | |
| C02 | O01 | sing | 1.35Å | 1.25Å | |
| C43 | C44 | doub | 1.34Å | 1.39Å | Aromatic |
| C43 | C36 | sing | 1.42Å | 1.40Å | Aromatic |
| C48 | C47 | sing | 1.48Å | 1.53Å | |
| C48 | O50 | sing | 1.35Å | 1.25Å | |
| C37 | C36 | sing | 1.48Å | 1.39Å | |
| C37 | C38 | doub | 1.39Å | 1.39Å | Aromatic |
| C04 | C47 | doub | 1.41Å | 1.39Å | Aromatic |
| C04 | C05 | sing | 1.39Å | 1.39Å | Aromatic |
| C44 | N45 | sing | 1.37Å | 1.35Å | Aromatic |
| C47 | C46 | sing | 1.39Å | 1.38Å | Aromatic |
| C05 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
| C39 | C38 | sing | 1.38Å | 1.39Å | Aromatic |
| C36 | C35 | doub | 1.38Å | 1.39Å | Aromatic |
| C46 | C07 | doub | 1.39Å | 1.38Å | Aromatic |
| C06 | C07 | sing | 1.39Å | 1.38Å | Aromatic |
| C07 | N08 | sing | 1.39Å | 1.45Å | |
| N45 | C09 | sing | 1.37Å | 1.35Å | Aromatic |
| N45 | C34 | sing | 1.38Å | 1.31Å | Aromatic |
| N08 | C09 | sing | 1.39Å | 1.45Å | |
| C35 | C34 | sing | 1.41Å | 1.41Å | Aromatic |
| C09 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C34 | N33 | doub | 1.32Å | 1.35Å | Aromatic |
| C10 | N33 | sing | 1.34Å | 1.33Å | Aromatic |
| C10 | C11 | sing | 1.48Å | 1.41Å | |
| C12 | C11 | doub | 1.40Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C32 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C32 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C31 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.51Å | 1.54Å | |
| C18 | O17 | sing | 1.43Å | 1.40Å | |
| C18 | C19 | sing | 1.51Å | 1.53Å | |
| O17 | C16 | sing | 1.43Å | 1.40Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C19 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.48Å | 1.39Å | |
| C24 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | N28 | sing | 1.33Å | 1.32Å | Aromatic |
| C25 | C26 | doub | 1.39Å | 1.39Å | Aromatic |
| N28 | C27 | doub | 1.32Å | 1.32Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.08Å | 1.08Å | |
| C21 | H5 | sing | 1.08Å | 1.08Å | |
| C24 | H6 | sing | 1.08Å | 1.08Å | |
| C26 | H7 | sing | 1.08Å | 1.08Å | |
| C05 | H8 | sing | 1.08Å | 1.08Å | |
| C06 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C25 | H15 | sing | 1.08Å | 1.08Å | |
| C27 | H16 | sing | 1.08Å | 1.08Å | |
| C29 | H17 | sing | 1.08Å | 1.08Å | |
| C30 | H18 | sing | 1.08Å | 1.08Å | |
| C31 | H19 | sing | 1.08Å | 1.08Å | |
| C32 | H20 | sing | 1.08Å | 1.08Å | |
| C35 | H21 | sing | 1.08Å | 1.08Å | |
| C38 | H22 | sing | 1.08Å | 1.08Å | |
| C39 | H23 | sing | 1.08Å | 1.08Å | |
| C40 | H24 | sing | 1.08Å | 1.08Å | |
| C41 | H25 | sing | 1.08Å | 1.08Å | |
| C42 | H26 | sing | 1.08Å | 1.08Å | |
| C43 | H27 | sing | 1.08Å | 1.08Å | |
| C44 | H28 | sing | 1.08Å | 1.08Å | |
| C46 | H29 | sing | 1.08Å | 1.08Å | |
| N08 | H30 | sing | 0.97Å | 1.00Å | |
| O01 | H31 | sing | 0.97Å | 0.95Å | |
| O50 | H32 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C42 | C41 | C40 | 120.0° | 120.1° |
| C41 | C42 | C37 | 119.8° | 119.8° |
| C42 | C41 | H25 | 120.0° | 119.9° |
| C41 | C42 | H26 | 120.1° | 120.0° |
| C41 | C40 | C39 | 120.4° | 120.3° |
| C41 | C40 | H24 | 119.8° | 119.8° |
| C40 | C41 | H25 | 120.0° | 120.0° |
| O03 | C02 | C04 | 121.0° | 120.0° |
| O03 | C02 | O01 | 119.9° | 120.0° |
| C42 | C37 | C36 | 120.4° | 120.1° |
| C42 | C37 | C38 | 120.2° | 119.8° |
| C37 | C42 | H26 | 120.1° | 120.1° |
| O49 | C48 | C47 | 118.6° | 120.0° |
| O49 | C48 | O50 | 120.0° | 120.0° |
| C40 | C39 | C38 | 119.6° | 120.1° |
| C40 | C39 | H23 | 120.2° | 119.9° |
| C39 | C40 | H24 | 119.8° | 119.9° |
| C04 | C02 | O01 | 119.1° | 120.0° |
| C02 | C04 | C47 | 121.5° | 120.1° |
| C02 | C04 | C05 | 118.7° | 120.1° |
| C02 | O01 | H31 | 109.5° | 117.0° |
| C44 | C43 | C36 | 118.9° | 120.1° |
| C43 | C44 | N45 | 120.4° | 121.0° |
| C44 | C43 | H27 | 120.5° | 120.0° |
| C43 | C44 | H28 | 119.8° | 119.5° |
| C43 | C36 | C37 | 121.5° | 120.3° |
| C43 | C36 | C35 | 118.3° | 119.5° |
| C36 | C43 | H27 | 120.6° | 119.9° |
| C47 | C48 | O50 | 121.4° | 120.0° |
| C48 | C47 | C04 | 123.7° | 120.1° |
| C48 | C47 | C46 | 116.8° | 120.2° |
| C48 | O50 | H32 | 109.5° | 117.0° |
| C36 | C37 | C38 | 119.4° | 120.1° |
| C37 | C36 | C35 | 120.2° | 120.3° |
| C37 | C38 | C39 | 120.0° | 119.8° |
| C37 | C38 | H22 | 120.0° | 120.1° |
| C47 | C04 | C05 | 119.8° | 119.8° |
| C04 | C47 | C46 | 119.5° | 119.7° |
| C04 | C05 | C06 | 120.6° | 120.1° |
| C04 | C05 | H8 | 119.7° | 120.0° |
| C44 | N45 | C09 | 129.3° | 132.1° |
| C44 | N45 | C34 | 122.7° | 120.7° |
| N45 | C44 | H28 | 119.8° | 119.5° |
| C47 | C46 | C07 | 120.5° | 119.9° |
| C47 | C46 | H29 | 119.8° | 120.0° |
| C05 | C06 | C07 | 118.9° | 120.3° |
| C06 | C05 | H8 | 119.7° | 119.9° |
| C05 | C06 | H9 | 120.6° | 119.9° |
| C39 | C38 | H22 | 120.0° | 120.1° |
| C38 | C39 | H23 | 120.2° | 119.9° |
| C36 | C35 | C34 | 120.3° | 119.1° |
| C36 | C35 | H21 | 119.8° | 120.4° |
| C46 | C07 | C06 | 120.7° | 120.2° |
| C46 | C07 | N08 | 117.8° | 119.9° |
| C07 | C46 | H29 | 119.8° | 120.0° |
| C06 | C07 | N08 | 121.4° | 119.9° |
| C07 | C06 | H9 | 120.6° | 119.8° |
| C07 | N08 | C09 | 123.7° | 120.0° |
| C07 | N08 | H30 | 118.2° | 120.0° |
| C09 | N45 | C34 | 107.9° | 107.3° |
| N45 | C09 | N08 | 125.2° | 126.6° |
| N45 | C09 | C10 | 107.4° | 106.8° |
| N45 | C34 | C35 | 119.2° | 119.7° |
| N45 | C34 | N33 | 109.9° | 108.6° |
| N08 | C09 | C10 | 127.3° | 126.6° |
| C09 | N08 | H30 | 118.2° | 120.0° |
| C35 | C34 | N33 | 130.9° | 131.7° |
| C34 | C35 | H21 | 119.8° | 120.4° |
| C09 | C10 | N33 | 106.4° | 108.1° |
| C09 | C10 | C11 | 128.4° | 125.9° |
| C34 | N33 | C10 | 108.4° | 109.3° |
| N33 | C10 | C11 | 125.2° | 126.0° |
| C10 | C11 | C12 | 121.6° | 120.1° |
| C10 | C11 | C32 | 119.2° | 120.2° |
| C11 | C12 | C13 | 120.4° | 119.8° |
| C12 | C11 | C32 | 119.2° | 119.7° |
| C11 | C12 | H10 | 119.8° | 120.1° |
| C12 | C13 | C14 | 119.9° | 120.2° |
| C12 | C13 | H1 | 120.1° | 119.9° |
| C13 | C12 | H10 | 119.8° | 120.1° |
| C11 | C32 | C31 | 120.4° | 119.9° |
| C11 | C32 | H20 | 119.8° | 120.1° |
| C13 | C14 | C31 | 119.8° | 120.2° |
| C13 | C14 | C15 | 121.2° | 119.9° |
| C14 | C13 | H1 | 120.1° | 119.9° |
| C32 | C31 | C14 | 120.4° | 120.1° |
| C32 | C31 | H19 | 119.8° | 119.9° |
| C31 | C32 | H20 | 119.8° | 120.1° |
| C31 | C14 | C15 | 119.0° | 119.8° |
| C14 | C31 | H19 | 119.8° | 119.9° |
| C14 | C15 | C16 | 109.9° | 109.5° |
| C14 | C15 | H2 | 109.3° | 109.5° |
| C14 | C15 | H3 | 109.4° | 109.5° |
| O17 | C18 | C19 | 108.8° | 109.5° |
| C18 | O17 | C16 | 112.0° | 114.0° |
| O17 | C18 | H13 | 109.7° | 109.5° |
| O17 | C18 | H14 | 109.6° | 109.5° |
| C18 | C19 | C30 | 120.3° | 119.9° |
| C18 | C19 | C20 | 119.5° | 119.9° |
| C19 | C18 | H13 | 109.6° | 109.4° |
| C19 | C18 | H14 | 109.7° | 109.5° |
| O17 | C16 | C15 | 107.2° | 109.5° |
| O17 | C16 | H11 | 110.0° | 109.5° |
| O17 | C16 | H12 | 110.0° | 109.5° |
| C16 | C15 | H2 | 109.4° | 109.4° |
| C16 | C15 | H3 | 109.3° | 109.4° |
| C15 | C16 | H11 | 110.0° | 109.4° |
| C15 | C16 | H12 | 110.0° | 109.5° |
| C30 | C19 | C20 | 120.3° | 120.2° |
| C19 | C30 | C29 | 119.7° | 120.1° |
| C19 | C30 | H18 | 120.2° | 119.9° |
| C19 | C20 | C21 | 119.9° | 120.2° |
| C19 | C20 | H4 | 120.0° | 119.9° |
| C30 | C29 | C22 | 120.1° | 119.9° |
| C30 | C29 | H17 | 120.0° | 120.1° |
| C29 | C30 | H18 | 120.2° | 119.9° |
| C20 | C21 | C22 | 120.0° | 119.9° |
| C21 | C20 | H4 | 120.0° | 119.9° |
| C20 | C21 | H5 | 120.0° | 120.1° |
| C29 | C22 | C21 | 120.1° | 119.7° |
| C29 | C22 | C23 | 120.1° | 120.2° |
| C22 | C29 | H17 | 119.9° | 120.0° |
| C21 | C22 | C23 | 119.8° | 120.1° |
| C22 | C21 | H5 | 120.0° | 120.0° |
| C22 | C23 | C24 | 119.8° | 119.7° |
| C22 | C23 | N28 | 119.5° | 119.7° |
| C23 | C24 | C25 | 120.2° | 119.0° |
| C24 | C23 | N28 | 120.8° | 120.5° |
| C23 | C24 | H6 | 119.9° | 120.5° |
| C24 | C25 | C26 | 117.2° | 118.5° |
| C25 | C24 | H6 | 119.9° | 120.5° |
| C24 | C25 | H15 | 121.4° | 120.7° |
| C23 | N28 | C27 | 120.8° | 121.6° |
| C25 | C26 | C27 | 119.8° | 119.4° |
| C25 | C26 | H7 | 120.1° | 120.3° |
| C26 | C25 | H15 | 121.4° | 120.7° |
| N28 | C27 | C26 | 121.2° | 120.9° |
| N28 | C27 | H16 | 119.4° | 119.6° |
| C27 | C26 | H7 | 120.1° | 120.3° |
| C26 | C27 | H16 | 119.4° | 119.6° |
| H2 | C15 | H3 | 109.5° | 109.5° |
| H11 | C16 | H12 | 109.5° | 109.5° |
| H13 | C18 | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C42 | C41 | C40 | H25 | 180.0° | 179.5° |
| C41 | C42 | C37 | H26 | 180.0° | 179.5° |
| C42 | C41 | C40 | C39 | 0.1° | 0.2° |
| C41 | C42 | C37 | C36 | 180.0° | 179.7° |
| C41 | C42 | C37 | C38 | 0.6° | 0.5° |
| C42 | C41 | C40 | H24 | 179.9° | 179.7° |
| C40 | C41 | C42 | C37 | 0.4° | 0.5° |
| C41 | C40 | C39 | H24 | 180.0° | 179.9° |
| C41 | C40 | C39 | C38 | 0.1° | 0.1° |
| C41 | C40 | C39 | H23 | 179.9° | 180.0° |
| C40 | C41 | C42 | H26 | 179.6° | 180.0° |
| O03 | C02 | C04 | O01 | 179.7° | 179.9° |
| O03 | C02 | C04 | C47 | 40.2° | 57.4° |
| O03 | C02 | C04 | C05 | 138.4° | 122.2° |
| O03 | C02 | O01 | H31 | 0.0° | 0.0° |
| C42 | C37 | C36 | C43 | 24.6° | 114.8° |
| C42 | C37 | C36 | C38 | 179.4° | 179.8° |
| C42 | C37 | C38 | C39 | 0.6° | 0.2° |
| C42 | C37 | C36 | C35 | 154.3° | 65.2° |
| C42 | C37 | C38 | H22 | 179.4° | 179.8° |
| C37 | C42 | C41 | H25 | 179.6° | 180.0° |
| O49 | C48 | C47 | O50 | 179.0° | 180.0° |
| O49 | C48 | C47 | C04 | 118.1° | 5.8° |
| O49 | C48 | C47 | C46 | 61.6° | 173.9° |
| O49 | C48 | O50 | H32 | 0.0° | 0.0° |
| C40 | C39 | C38 | C37 | 0.3° | 0.1° |
| C40 | C39 | C38 | H23 | 180.0° | 179.9° |
| C40 | C39 | C38 | H22 | 179.7° | 179.9° |
| C39 | C40 | C41 | H25 | 179.9° | 179.7° |
| C02 | C04 | C47 | C48 | 0.2° | 0.1° |
| C02 | C04 | C47 | C05 | 178.6° | 179.6° |
| C02 | C04 | C47 | C46 | 179.5° | 179.7° |
| C02 | C04 | C05 | C06 | 179.7° | 180.0° |
| C02 | C04 | C05 | H8 | 0.3° | 0.1° |
| C04 | C02 | O01 | H31 | 179.7° | 180.0° |
| O01 | C02 | C04 | C47 | 140.1° | 122.5° |
| O01 | C02 | C04 | C05 | 41.3° | 57.9° |
| C44 | C43 | C36 | H27 | 180.0° | 178.8° |
| C44 | C43 | C36 | C37 | 179.8° | 179.2° |
| C43 | C44 | N45 | H28 | 180.0° | 178.8° |
| C44 | C43 | C36 | C35 | 0.8° | 0.9° |
| C43 | C44 | N45 | C09 | 179.8° | 179.0° |
| C43 | C44 | N45 | C34 | 0.0° | 0.7° |
| C43 | C36 | C37 | C35 | 179.0° | 180.0° |
| C43 | C36 | C37 | C38 | 154.8° | 65.0° |
| C36 | C43 | C44 | N45 | 0.3° | 1.2° |
| C43 | C36 | C35 | C34 | 1.1° | 0.0° |
| C43 | C36 | C35 | H21 | 179.0° | 179.9° |
| C36 | C43 | C44 | H28 | 179.7° | 180.0° |
| C48 | C47 | C04 | C46 | 179.7° | 179.7° |
| C48 | C47 | C04 | C05 | 178.8° | 179.7° |
| C48 | C47 | C46 | C07 | 179.1° | 179.7° |
| C48 | C47 | C46 | H29 | 0.9° | 0.0° |
| C47 | C48 | O50 | H32 | 179.0° | 180.0° |
| O50 | C48 | C47 | C04 | 62.9° | 174.2° |
| O50 | C48 | C47 | C46 | 117.4° | 6.1° |
| C36 | C37 | C38 | C39 | 180.0° | 180.0° |
| C37 | C36 | C35 | C34 | 179.9° | 180.0° |
| C37 | C36 | C35 | H21 | 0.0° | 0.0° |
| C36 | C37 | C38 | H22 | 0.0° | 0.0° |
| C36 | C37 | C42 | H26 | 0.0° | 0.2° |
| C37 | C36 | C43 | H27 | 0.2° | 0.3° |
| C37 | C38 | C39 | H22 | 180.0° | 180.0° |
| C38 | C37 | C36 | C35 | 26.3° | 115.0° |
| C37 | C38 | C39 | H23 | 179.7° | 180.0° |
| C38 | C37 | C42 | H26 | 179.4° | 180.0° |
| C47 | C04 | C05 | C06 | 1.0° | 0.3° |
| C04 | C47 | C46 | C07 | 0.6° | 0.6° |
| C47 | C04 | C05 | H8 | 179.0° | 179.7° |
| C04 | C47 | C46 | H29 | 179.4° | 179.7° |
| C05 | C04 | C47 | C46 | 0.9° | 0.6° |
| C04 | C05 | C06 | H8 | 180.0° | 179.9° |
| C04 | C05 | C06 | C07 | 0.9° | 0.0° |
| C04 | C05 | C06 | H9 | 179.1° | 179.9° |
| C44 | N45 | C09 | C34 | 179.8° | 179.8° |
| C44 | N45 | C09 | N08 | 1.6° | 0.1° |
| C44 | N45 | C34 | C35 | 0.3° | 0.1° |
| C44 | N45 | C09 | C10 | 179.8° | 180.0° |
| C44 | N45 | C34 | N33 | 179.9° | 179.8° |
| N45 | C44 | C43 | H27 | 179.7° | 180.0° |
| C47 | C46 | C07 | H29 | 180.0° | 179.8° |
| C47 | C46 | C07 | C06 | 0.6° | 0.3° |
| C47 | C46 | C07 | N08 | 179.4° | 179.7° |
| C05 | C06 | C07 | C46 | 0.7° | 0.0° |
| C05 | C06 | C07 | H9 | 180.0° | 179.9° |
| C05 | C06 | C07 | N08 | 179.5° | 180.0° |
| C38 | C39 | C40 | H24 | 179.9° | 180.0° |
| C36 | C35 | C34 | N45 | 0.8° | 0.4° |
| C36 | C35 | C34 | H21 | 180.0° | 180.0° |
| C36 | C35 | C34 | N33 | 179.6° | 180.0° |
| C35 | C36 | C43 | H27 | 179.2° | 179.7° |
| C46 | C07 | C06 | N08 | 178.8° | 180.0° |
| C46 | C07 | N08 | C09 | 170.0° | 174.8° |
| C46 | C07 | C06 | H9 | 179.3° | 179.9° |
| C46 | C07 | N08 | H30 | 10.0° | 5.2° |
| C06 | C07 | N08 | C09 | 8.9° | 5.3° |
| C07 | C06 | C05 | H8 | 179.1° | 180.0° |
| C06 | C07 | C46 | H29 | 179.4° | 180.0° |
| C06 | C07 | N08 | H30 | 171.1° | 174.7° |
| C07 | N08 | C09 | N45 | 86.8° | 72.7° |
| C07 | N08 | C09 | H30 | 180.0° | 180.0° |
| C07 | N08 | C09 | C10 | 95.3° | 107.3° |
| N08 | C07 | C06 | H9 | 0.5° | 0.1° |
| N08 | C07 | C46 | H29 | 0.6° | 0.1° |
| N45 | C09 | N08 | C10 | 177.9° | 180.0° |
| C09 | N45 | C34 | C35 | 179.6° | 179.9° |
| C09 | N45 | C34 | N33 | 0.1° | 0.4° |
| N45 | C09 | C10 | N33 | 0.5° | 0.0° |
| N45 | C09 | C10 | C11 | 179.5° | 179.7° |
| C09 | N45 | C44 | H28 | 0.3° | 0.2° |
| N45 | C09 | N08 | H30 | 93.2° | 107.3° |
| C34 | N45 | C09 | N08 | 178.6° | 179.7° |
| N45 | C34 | C35 | N33 | 179.6° | 179.6° |
| C34 | N45 | C09 | C10 | 0.4° | 0.3° |
| N45 | C34 | N33 | C10 | 0.3° | 0.4° |
| N45 | C34 | C35 | H21 | 179.2° | 179.6° |
| C34 | N45 | C44 | H28 | 180.0° | 179.6° |
| N08 | C09 | C10 | N33 | 178.7° | 179.9° |
| N08 | C09 | C10 | C11 | 2.3° | 0.3° |
| C35 | C34 | N33 | C10 | 179.9° | 180.0° |
| C09 | C10 | N33 | C34 | 0.5° | 0.2° |
| C09 | C10 | N33 | C11 | 179.0° | 179.7° |
| C09 | C10 | C11 | C12 | 31.7° | 34.6° |
| C09 | C10 | C11 | C32 | 150.1° | 144.8° |
| C10 | C09 | N08 | H30 | 84.7° | 72.7° |
| C34 | N33 | C10 | C11 | 179.5° | 180.0° |
| N33 | C34 | C35 | H21 | 0.3° | 0.0° |
| N33 | C10 | C11 | C12 | 147.1° | 145.7° |
| N33 | C10 | C11 | C32 | 31.1° | 34.9° |
| C10 | C11 | C12 | C32 | 178.3° | 179.3° |
| C10 | C11 | C12 | C13 | 179.3° | 179.8° |
| C10 | C11 | C32 | C31 | 179.1° | 180.0° |
| C10 | C11 | C12 | H10 | 0.7° | 0.2° |
| C10 | C11 | C32 | H20 | 0.9° | 0.7° |
| C11 | C12 | C13 | H10 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.9° | 0.1° |
| C12 | C11 | C32 | C31 | 0.8° | 0.7° |
| C11 | C12 | C13 | H1 | 179.1° | 179.8° |
| C12 | C11 | C32 | H20 | 179.2° | 180.0° |
| C13 | C12 | C11 | C32 | 1.1° | 0.4° |
| C12 | C13 | C14 | H1 | 180.0° | 179.7° |
| C12 | C13 | C14 | C31 | 0.5° | 0.3° |
| C12 | C13 | C14 | C15 | 179.5° | 179.8° |
| C11 | C32 | C31 | H20 | 180.0° | 179.3° |
| C11 | C32 | C31 | C14 | 0.4° | 0.4° |
| C32 | C11 | C12 | H10 | 178.9° | 179.5° |
| C11 | C32 | C31 | H19 | 179.6° | 179.5° |
| C13 | C14 | C31 | C32 | 0.2° | 0.1° |
| C13 | C14 | C31 | C15 | 179.9° | 179.9° |
| C13 | C14 | C15 | C16 | 119.6° | 90.0° |
| C13 | C14 | C15 | H2 | 120.3° | 150.0° |
| C13 | C14 | C15 | H3 | 0.4° | 30.0° |
| C14 | C13 | C12 | H10 | 179.1° | 180.0° |
| C13 | C14 | C31 | H19 | 179.8° | 180.0° |
| C32 | C31 | C14 | H19 | 180.0° | 179.9° |
| C32 | C31 | C14 | C15 | 179.7° | 180.0° |
| C31 | C14 | C15 | C16 | 60.4° | 89.9° |
| C31 | C14 | C13 | H1 | 179.6° | 180.0° |
| C31 | C14 | C15 | H2 | 59.6° | 30.0° |
| C31 | C14 | C15 | H3 | 179.5° | 150.1° |
| C14 | C31 | C32 | H20 | 179.6° | 179.7° |
| C14 | C15 | C16 | O17 | 69.2° | 179.9° |
| C14 | C15 | C16 | H2 | 120.1° | 120.0° |
| C14 | C15 | C16 | H3 | 120.0° | 120.0° |
| C15 | C14 | C13 | H1 | 0.5° | 0.1° |
| C14 | C15 | H2 | H3 | 119.8° | 120.0° |
| C14 | C15 | C16 | H11 | 171.1° | 60.0° |
| C14 | C15 | C16 | H12 | 50.4° | 60.0° |
| C15 | C14 | C31 | H19 | 0.3° | 0.1° |
| O17 | C18 | C19 | H13 | 119.9° | 120.0° |
| O17 | C18 | C19 | H14 | 119.9° | 120.0° |
| C18 | O17 | C16 | C15 | 66.2° | 180.0° |
| O17 | C18 | C19 | C30 | 21.0° | 90.0° |
| O17 | C18 | C19 | C20 | 158.9° | 90.0° |
| C18 | O17 | C16 | H11 | 53.4° | 60.1° |
| C18 | O17 | C16 | H12 | 174.1° | 60.0° |
| O17 | C18 | H13 | H14 | 120.3° | 120.0° |
| C19 | C18 | O17 | C16 | 103.5° | 180.0° |
| C18 | C19 | C30 | C20 | 180.0° | 180.0° |
| C18 | C19 | C30 | C29 | 179.4° | 179.4° |
| C18 | C19 | C20 | C21 | 179.7° | 180.0° |
| C18 | C19 | C20 | H4 | 0.4° | 0.2° |
| C19 | C18 | H13 | H14 | 120.3° | 120.0° |
| C18 | C19 | C30 | H18 | 0.6° | 0.1° |
| O17 | C16 | C15 | H11 | 119.6° | 120.0° |
| O17 | C16 | C15 | H12 | 119.6° | 120.1° |
| O17 | C16 | C15 | H2 | 170.7° | 60.0° |
| O17 | C16 | C15 | H3 | 50.8° | 60.0° |
| O17 | C16 | H11 | H12 | 121.0° | 120.1° |
| C16 | O17 | C18 | H13 | 16.4° | 60.0° |
| C16 | O17 | C18 | H14 | 136.6° | 60.1° |
| C16 | C15 | H2 | H3 | 119.8° | 120.0° |
| C15 | C16 | H11 | H12 | 121.1° | 120.0° |
| C19 | C30 | C29 | H18 | 180.0° | 179.5° |
| C30 | C19 | C20 | C21 | 0.4° | 0.0° |
| C19 | C30 | C29 | C22 | 0.4° | 0.8° |
| C30 | C19 | C20 | H4 | 179.6° | 179.7° |
| C30 | C19 | C18 | H13 | 141.0° | 150.0° |
| C30 | C19 | C18 | H14 | 98.9° | 30.0° |
| C19 | C30 | C29 | H17 | 179.6° | 179.7° |
| C20 | C19 | C30 | C29 | 0.6° | 0.6° |
| C19 | C20 | C21 | H4 | 180.0° | 179.8° |
| C19 | C20 | C21 | C22 | 0.1° | 0.3° |
| C19 | C20 | C21 | H5 | 179.9° | 179.8° |
| C20 | C19 | C18 | H13 | 39.0° | 30.0° |
| C20 | C19 | C18 | H14 | 81.2° | 150.0° |
| C20 | C19 | C30 | H18 | 179.4° | 179.9° |
| C30 | C29 | C22 | H17 | 180.0° | 179.4° |
| C30 | C29 | C22 | C21 | 0.0° | 0.5° |
| C30 | C29 | C22 | C23 | 179.5° | 179.4° |
| C20 | C21 | C22 | C29 | 0.3° | 0.0° |
| C20 | C21 | C22 | H5 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 179.8° | 180.0° |
| C29 | C22 | C21 | C23 | 179.5° | 179.9° |
| C29 | C22 | C23 | C24 | 21.7° | 0.1° |
| C29 | C22 | C23 | N28 | 158.4° | 180.0° |
| C29 | C22 | C21 | H5 | 179.7° | 180.0° |
| C22 | C29 | C30 | H18 | 179.6° | 179.7° |
| C21 | C22 | C23 | C24 | 158.8° | 180.0° |
| C21 | C22 | C23 | N28 | 21.1° | 0.1° |
| C22 | C21 | C20 | H4 | 179.9° | 180.0° |
| C21 | C22 | C29 | H17 | 180.0° | 180.0° |
| C22 | C23 | C24 | N28 | 179.9° | 179.9° |
| C22 | C23 | C24 | C25 | 179.8° | 180.0° |
| C22 | C23 | N28 | C27 | 179.7° | 180.0° |
| C23 | C22 | C21 | H5 | 0.2° | 0.1° |
| C22 | C23 | C24 | H6 | 0.2° | 0.3° |
| C23 | C22 | C29 | H17 | 0.5° | 0.0° |
| C23 | C24 | C25 | H6 | 180.0° | 179.7° |
| C23 | C24 | C25 | C26 | 0.1° | 0.1° |
| C24 | C23 | N28 | C27 | 0.4° | 0.1° |
| C23 | C24 | C25 | H15 | 179.8° | 179.9° |
| C25 | C24 | C23 | N28 | 0.3° | 0.1° |
| C24 | C25 | C26 | H15 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.0° | 0.0° |
| C24 | C25 | C26 | H7 | 180.0° | 180.0° |
| C23 | N28 | C27 | C26 | 0.2° | 0.0° |
| N28 | C23 | C24 | H6 | 179.7° | 179.8° |
| C23 | N28 | C27 | H16 | 179.8° | 179.9° |
| C25 | C26 | C27 | N28 | 0.0° | 0.0° |
| C25 | C26 | C27 | H7 | 180.0° | 180.0° |
| C26 | C25 | C24 | H6 | 179.9° | 179.7° |
| C25 | C26 | C27 | H16 | 180.0° | 180.0° |
| N28 | C27 | C26 | H16 | 180.0° | 179.9° |
| N28 | C27 | C26 | H7 | 180.0° | 180.0° |
| C27 | C26 | C25 | H15 | 180.0° | 180.0° |
| H1 | C13 | C12 | H10 | 0.9° | 0.3° |
| H2 | C15 | C16 | H11 | 51.1° | NaN° |
| H2 | C15 | C16 | H12 | 69.7° | 60.0° |
| H3 | C15 | C16 | H11 | 68.8° | 60.0° |
| H3 | C15 | C16 | H12 | 170.4° | 180.0° |
| H4 | C20 | C21 | H5 | 0.1° | 0.0° |
| H6 | C24 | C25 | H15 | 0.2° | 0.3° |
| H7 | C26 | C25 | H15 | 0.0° | 0.0° |
| H7 | C26 | C27 | H16 | 0.0° | 0.0° |
| H8 | C05 | C06 | H9 | 0.9° | 0.0° |
| H17 | C29 | C30 | H18 | 0.4° | 0.2° |
| H19 | C31 | C32 | H20 | 0.3° | 0.2° |
| H22 | C38 | C39 | H23 | 0.3° | 0.0° |
| H23 | C39 | C40 | H24 | 0.1° | 0.1° |
| H24 | C40 | C41 | H25 | 0.1° | 0.2° |
| H25 | C41 | C42 | H26 | 0.4° | 0.5° |
| H27 | C43 | C44 | H28 | 0.3° | 1.2° |
