89K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C41 | C40 | doub | 1.38Å | 1.38Å | Aromatic |
| C41 | C42 | sing | 1.38Å | 1.39Å | Aromatic |
| C40 | C39 | sing | 1.38Å | 1.39Å | Aromatic |
| C42 | C43 | doub | 1.38Å | 1.39Å | Aromatic |
| C39 | C38 | doub | 1.38Å | 1.39Å | Aromatic |
| C43 | C38 | sing | 1.38Å | 1.38Å | Aromatic |
| C38 | C37 | sing | 1.51Å | 1.53Å | |
| C28 | C29 | sing | 1.53Å | 1.47Å | |
| C28 | C27 | sing | 1.53Å | 1.45Å | |
| C29 | N30 | sing | 1.46Å | 1.52Å | |
| C37 | N36 | sing | 1.46Å | 1.45Å | |
| N36 | C35 | sing | 1.35Å | 1.46Å | |
| N30 | C31 | sing | 1.33Å | 1.53Å | |
| C27 | C26 | sing | 1.53Å | 1.44Å | |
| O44 | C35 | doub | 1.21Å | 1.18Å | |
| C35 | C33 | sing | 1.51Å | 1.54Å | |
| C31 | C26 | sing | 1.50Å | 1.59Å | |
| C31 | O32 | doub | 1.21Å | 1.18Å | |
| C26 | C25 | sing | 1.53Å | 1.61Å | |
| C25 | C24 | sing | 1.53Å | 1.53Å | |
| C33 | C24 | sing | 1.53Å | 1.53Å | |
| C33 | O34 | sing | 1.43Å | 1.40Å | |
| C24 | N23 | sing | 1.46Å | 1.47Å | |
| N23 | C2 | sing | 1.35Å | 1.46Å | |
| O1 | C2 | doub | 1.21Å | 1.18Å | |
| C2 | C3 | sing | 1.51Å | 1.54Å | |
| O22 | C12 | doub | 1.22Å | 1.19Å | |
| C14 | C15 | sing | 1.46Å | 1.45Å | Aromatic |
| C14 | C13 | doub | 1.36Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.47Å | 1.52Å | |
| C12 | N11 | sing | 1.35Å | 1.45Å | |
| C16 | C15 | doub | 1.40Å | 1.41Å | Aromatic |
| C16 | C17 | sing | 1.37Å | 1.40Å | Aromatic |
| C15 | C20 | sing | 1.41Å | 1.37Å | Aromatic |
| C13 | O21 | sing | 1.35Å | 1.32Å | Aromatic |
| C3 | N11 | sing | 1.46Å | 1.44Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| O21 | C20 | sing | 1.35Å | 1.36Å | Aromatic |
| C20 | C19 | doub | 1.39Å | 1.42Å | Aromatic |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | C10 | sing | 1.53Å | 1.53Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| C3 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| N11 | H15 | sing | 0.97Å | 1.00Å | |
| C14 | H16 | sing | 1.08Å | 1.08Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| C17 | H18 | sing | 1.08Å | 1.08Å | |
| C18 | H19 | sing | 1.08Å | 1.08Å | |
| C19 | H20 | sing | 1.08Å | 1.08Å | |
| N23 | H21 | sing | 0.97Å | 1.00Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H30 | sing | 1.09Å | 1.10Å | |
| C29 | H31 | sing | 1.09Å | 1.10Å | |
| N30 | H32 | sing | 0.97Å | 1.00Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| O34 | H34 | sing | 0.97Å | 0.95Å | |
| N36 | H35 | sing | 0.97Å | 1.00Å | |
| C37 | H36 | sing | 1.09Å | 1.10Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C39 | H38 | sing | 1.08Å | 1.08Å | |
| C40 | H39 | sing | 1.08Å | 1.08Å | |
| C41 | H40 | sing | 1.08Å | 1.08Å | |
| C42 | H41 | sing | 1.08Å | 1.08Å | |
| C43 | H42 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C40 | C41 | C42 | 120.0° | 120.0° |
| C41 | C40 | C39 | 119.9° | 120.0° |
| C41 | C40 | H39 | 120.1° | 120.0° |
| C40 | C41 | H40 | 120.0° | 120.0° |
| C41 | C42 | C43 | 120.2° | 120.0° |
| C42 | C41 | H40 | 120.0° | 120.0° |
| C41 | C42 | H41 | 119.9° | 120.0° |
| C40 | C39 | C38 | 120.0° | 120.0° |
| C40 | C39 | H38 | 120.0° | 120.0° |
| C39 | C40 | H39 | 120.0° | 120.0° |
| C42 | C43 | C38 | 119.7° | 120.0° |
| C43 | C42 | H41 | 119.9° | 120.0° |
| C42 | C43 | H42 | 120.1° | 120.0° |
| C39 | C38 | C43 | 120.1° | 120.0° |
| C39 | C38 | C37 | 119.4° | 120.0° |
| C38 | C39 | H38 | 120.0° | 120.0° |
| C43 | C38 | C37 | 120.4° | 120.0° |
| C38 | C43 | H42 | 120.1° | 120.0° |
| C38 | C37 | N36 | 101.4° | 109.4° |
| C38 | C37 | H36 | 111.5° | 109.5° |
| C38 | C37 | H37 | 111.5° | 109.5° |
| C29 | C28 | C27 | 111.1° | 108.6° |
| C28 | C29 | N30 | 111.1° | 110.5° |
| C29 | C28 | H28 | 109.1° | 109.6° |
| C29 | C28 | H29 | 109.1° | 109.6° |
| C28 | C29 | H30 | 109.1° | 109.3° |
| C28 | C29 | H31 | 109.1° | 109.3° |
| C28 | C27 | C26 | 114.9° | 108.4° |
| C28 | C27 | H26 | 108.1° | 109.7° |
| C28 | C27 | H27 | 108.1° | 109.7° |
| C27 | C28 | H28 | 109.1° | 109.6° |
| C27 | C28 | H29 | 109.0° | 109.6° |
| C29 | N30 | C31 | 115.0° | 124.1° |
| N30 | C29 | H30 | 109.1° | 109.3° |
| N30 | C29 | H31 | 109.1° | 109.3° |
| C29 | N30 | H32 | 122.5° | 118.0° |
| C37 | N36 | C35 | 126.7° | 120.0° |
| C37 | N36 | H35 | 116.7° | 120.0° |
| N36 | C37 | H36 | 111.4° | 109.5° |
| N36 | C37 | H37 | 111.4° | 109.4° |
| N36 | C35 | O44 | 115.9° | 120.0° |
| N36 | C35 | C33 | 127.1° | 120.1° |
| C35 | N36 | H35 | 116.6° | 119.9° |
| N30 | C31 | C26 | 118.1° | 123.6° |
| N30 | C31 | O32 | 120.7° | 118.3° |
| C31 | N30 | H32 | 122.5° | 117.9° |
| C27 | C26 | C31 | 116.2° | 109.8° |
| C27 | C26 | C25 | 108.7° | 109.4° |
| C27 | C26 | H25 | 110.0° | 109.4° |
| C26 | C27 | H26 | 108.1° | 109.6° |
| C26 | C27 | H27 | 108.1° | 109.6° |
| O44 | C35 | C33 | 117.0° | 120.0° |
| C35 | C33 | C24 | 111.4° | 109.5° |
| C35 | C33 | O34 | 113.5° | 109.5° |
| C35 | C33 | H33 | 105.8° | 109.4° |
| C26 | C31 | O32 | 121.2° | 118.2° |
| C31 | C26 | C25 | 106.0° | 109.4° |
| C31 | C26 | H25 | 108.0° | 109.4° |
| C26 | C25 | C24 | 115.6° | 109.5° |
| C26 | C25 | H23 | 107.9° | 109.5° |
| C26 | C25 | H24 | 107.9° | 109.4° |
| C25 | C26 | H25 | 107.8° | 109.4° |
| C25 | C24 | C33 | 110.6° | 109.5° |
| C25 | C24 | N23 | 110.1° | 109.5° |
| C25 | C24 | H22 | 108.7° | 109.5° |
| C24 | C25 | H23 | 107.9° | 109.5° |
| C24 | C25 | H24 | 107.9° | 109.5° |
| C24 | C33 | O34 | 112.0° | 109.5° |
| C33 | C24 | N23 | 109.3° | 109.4° |
| C33 | C24 | H22 | 108.7° | 109.5° |
| C24 | C33 | H33 | 105.9° | 109.5° |
| O34 | C33 | H33 | 107.5° | 109.4° |
| C33 | O34 | H34 | 109.5° | 114.0° |
| C24 | N23 | C2 | 119.7° | 120.0° |
| C24 | N23 | H21 | 120.1° | 120.0° |
| N23 | C24 | H22 | 109.4° | 109.4° |
| N23 | C2 | O1 | 119.5° | 120.0° |
| N23 | C2 | C3 | 121.8° | 120.0° |
| C2 | N23 | H21 | 120.2° | 120.0° |
| O1 | C2 | C3 | 118.7° | 120.0° |
| C2 | C3 | N11 | 105.7° | 109.5° |
| C2 | C3 | C4 | 110.9° | 109.5° |
| C2 | C3 | H1 | 109.7° | 109.5° |
| O22 | C12 | C13 | 120.0° | 120.0° |
| O22 | C12 | N11 | 120.9° | 120.0° |
| C15 | C14 | C13 | 107.4° | 106.1° |
| C14 | C15 | C16 | 135.7° | 134.2° |
| C14 | C15 | C20 | 104.4° | 105.7° |
| C15 | C14 | H16 | 126.3° | 127.0° |
| C14 | C13 | C12 | 126.8° | 125.1° |
| C14 | C13 | O21 | 108.0° | 109.8° |
| C13 | C14 | H16 | 126.3° | 126.9° |
| C13 | C12 | N11 | 119.2° | 120.0° |
| C12 | C13 | O21 | 125.2° | 125.1° |
| C12 | N11 | C3 | 120.1° | 120.0° |
| C12 | N11 | H15 | 119.9° | 120.0° |
| C15 | C16 | C17 | 120.0° | 119.7° |
| C16 | C15 | C20 | 119.9° | 120.1° |
| C15 | C16 | H17 | 120.0° | 120.1° |
| C16 | C17 | C18 | 120.1° | 120.4° |
| C17 | C16 | H17 | 120.0° | 120.1° |
| C16 | C17 | H18 | 120.0° | 119.8° |
| C15 | C20 | O21 | 109.9° | 107.6° |
| C15 | C20 | C19 | 120.1° | 119.2° |
| C13 | O21 | C20 | 110.3° | 110.8° |
| N11 | C3 | C4 | 109.6° | 109.5° |
| N11 | C3 | H1 | 111.1° | 109.5° |
| C3 | N11 | H15 | 120.0° | 120.0° |
| C3 | C4 | C5 | 117.8° | 109.5° |
| C4 | C3 | H1 | 109.8° | 109.4° |
| C3 | C4 | H2 | 107.3° | 109.4° |
| C3 | C4 | H3 | 107.4° | 109.5° |
| C17 | C18 | C19 | 120.0° | 120.7° |
| C18 | C17 | H18 | 120.0° | 119.7° |
| C17 | C18 | H19 | 120.0° | 119.6° |
| O21 | C20 | C19 | 130.0° | 133.2° |
| C20 | C19 | C18 | 119.9° | 119.8° |
| C20 | C19 | H20 | 120.1° | 120.1° |
| C4 | C5 | C6 | 112.6° | 109.5° |
| C4 | C5 | C10 | 109.1° | 109.4° |
| C5 | C4 | H2 | 107.4° | 109.5° |
| C5 | C4 | H3 | 107.4° | 109.5° |
| C4 | C5 | H4 | 107.3° | 109.5° |
| C19 | C18 | H19 | 120.0° | 119.6° |
| C18 | C19 | H20 | 120.0° | 120.1° |
| C6 | C5 | C10 | 112.8° | 109.5° |
| C5 | C6 | C7 | 114.7° | 109.5° |
| C6 | C5 | H4 | 107.4° | 109.5° |
| C5 | C6 | H5 | 108.2° | 109.4° |
| C5 | C6 | H6 | 108.2° | 109.5° |
| C5 | C10 | C9 | 115.3° | 109.4° |
| C10 | C5 | H4 | 107.4° | 109.5° |
| C5 | C10 | H13 | 108.0° | 109.5° |
| C5 | C10 | H14 | 108.0° | 109.5° |
| C6 | C7 | C8 | 115.1° | 109.5° |
| C7 | C6 | H5 | 108.1° | 109.5° |
| C7 | C6 | H6 | 108.1° | 109.5° |
| C6 | C7 | H7 | 108.0° | 109.5° |
| C6 | C7 | H8 | 108.1° | 109.5° |
| C10 | C9 | C8 | 114.7° | 109.5° |
| C10 | C9 | H11 | 108.1° | 109.5° |
| C10 | C9 | H12 | 108.1° | 109.5° |
| C9 | C10 | H13 | 108.0° | 109.5° |
| C9 | C10 | H14 | 108.0° | 109.5° |
| C7 | C8 | C9 | 114.2° | 109.5° |
| C8 | C7 | H7 | 108.1° | 109.5° |
| C8 | C7 | H8 | 108.0° | 109.5° |
| C7 | C8 | H9 | 108.3° | 109.5° |
| C7 | C8 | H10 | 108.3° | 109.5° |
| C9 | C8 | H9 | 108.3° | 109.5° |
| C9 | C8 | H10 | 108.3° | 109.5° |
| C8 | C9 | H11 | 108.1° | 109.5° |
| C8 | C9 | H12 | 108.2° | 109.5° |
| H2 | C4 | H3 | 109.5° | 109.4° |
| H5 | C6 | H6 | 109.4° | 109.5° |
| H7 | C7 | H8 | 109.5° | 109.5° |
| H9 | C8 | H10 | 109.5° | 109.4° |
| H11 | C9 | H12 | 109.5° | 109.4° |
| H13 | C10 | H14 | 109.5° | 109.5° |
| H23 | C25 | H24 | 109.4° | 109.5° |
| H26 | C27 | H27 | 109.5° | 109.7° |
| H28 | C28 | H29 | 109.5° | 109.8° |
| H30 | C29 | H31 | 109.5° | 109.1° |
| H36 | C37 | H37 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C40 | C41 | C42 | H40 | 180.0° | 180.0° |
| C41 | C40 | C39 | H39 | 180.0° | 179.9° |
| C40 | C41 | C42 | C43 | 0.0° | 0.3° |
| C41 | C40 | C39 | C38 | 1.0° | 0.0° |
| C41 | C40 | C39 | H38 | 179.0° | 180.0° |
| C40 | C41 | C42 | H41 | 179.9° | 180.0° |
| C42 | C41 | C40 | C39 | 0.1° | 0.0° |
| C41 | C42 | C43 | H41 | 180.0° | 179.7° |
| C41 | C42 | C43 | C38 | 0.9° | 0.6° |
| C42 | C41 | C40 | H39 | 179.9° | 180.0° |
| C41 | C42 | C43 | H42 | 179.1° | 180.0° |
| C40 | C39 | C38 | H38 | 180.0° | 180.0° |
| C40 | C39 | C38 | C43 | 1.8° | 0.3° |
| C40 | C39 | C38 | C37 | 178.9° | 180.0° |
| C39 | C40 | C41 | H40 | 179.9° | 179.9° |
| C42 | C43 | C38 | C39 | 1.8° | 0.6° |
| C42 | C43 | C38 | H42 | 180.0° | 179.3° |
| C42 | C43 | C38 | C37 | 178.8° | 179.7° |
| C43 | C42 | C41 | H40 | 179.9° | 179.7° |
| C39 | C38 | C43 | C37 | 177.0° | 179.7° |
| C39 | C38 | C37 | N36 | 76.5° | 90.0° |
| C39 | C38 | C37 | H36 | 42.2° | 30.0° |
| C39 | C38 | C37 | H37 | 164.8° | 150.0° |
| C38 | C39 | C40 | H39 | 179.0° | 180.0° |
| C39 | C38 | C43 | H42 | 178.2° | 180.0° |
| C43 | C38 | C37 | N36 | 100.5° | 90.3° |
| C43 | C38 | C37 | H36 | 140.8° | 149.7° |
| C43 | C38 | C37 | H37 | 18.1° | 29.6° |
| C43 | C38 | C39 | H38 | 178.2° | 179.7° |
| C38 | C43 | C42 | H41 | 179.1° | 179.7° |
| C38 | C37 | N36 | H36 | 118.7° | 120.0° |
| C38 | C37 | N36 | H37 | 118.7° | 120.0° |
| C38 | C37 | N36 | C35 | 139.3° | 180.0° |
| C38 | C37 | N36 | H35 | 40.7° | 0.0° |
| C38 | C37 | H36 | H37 | 123.8° | 120.1° |
| C37 | C38 | C39 | H38 | 1.1° | 0.0° |
| C37 | C38 | C43 | H42 | 1.2° | 0.4° |
| C29 | C28 | C27 | H28 | 120.3° | 119.7° |
| C29 | C28 | C27 | H29 | 120.2° | 119.8° |
| C28 | C29 | N30 | H30 | 120.3° | 120.4° |
| C28 | C29 | N30 | H31 | 120.2° | 120.3° |
| C28 | C29 | N30 | C31 | 33.6° | 19.2° |
| C29 | C28 | C27 | C26 | 61.4° | 67.6° |
| C29 | C28 | C27 | H26 | 59.4° | 52.1° |
| C29 | C28 | C27 | H27 | 177.8° | 172.7° |
| C29 | C28 | H28 | H29 | 119.3° | 120.4° |
| C28 | C29 | H30 | H31 | 119.3° | 119.5° |
| C28 | C29 | N30 | H32 | 146.3° | 160.9° |
| C27 | C28 | C29 | N30 | 65.6° | 50.8° |
| C28 | C27 | C26 | H26 | 120.8° | 119.8° |
| C28 | C27 | C26 | H27 | 120.8° | 119.7° |
| C28 | C27 | C26 | C31 | 24.2° | 49.0° |
| C28 | C27 | C26 | C25 | 95.1° | 169.1° |
| C28 | C27 | C26 | H25 | 147.2° | 71.1° |
| C28 | C27 | H26 | H27 | 117.5° | 120.6° |
| C27 | C28 | H28 | H29 | 119.2° | 120.5° |
| C27 | C28 | C29 | H30 | 174.2° | 69.6° |
| C27 | C28 | C29 | H31 | 54.6° | 171.1° |
| C29 | N30 | C31 | H32 | 180.0° | 179.9° |
| C29 | N30 | C31 | C26 | 0.3° | 2.4° |
| C29 | N30 | C31 | O32 | 179.9° | 177.8° |
| N30 | C29 | C28 | H28 | 174.1° | 170.5° |
| N30 | C29 | C28 | H29 | 54.6° | 69.0° |
| N30 | C29 | H30 | H31 | 119.3° | 119.5° |
| C37 | N36 | C35 | H35 | 180.0° | 180.0° |
| C37 | N36 | C35 | O44 | 178.8° | 0.0° |
| C37 | N36 | C35 | C33 | 2.3° | 180.0° |
| N36 | C37 | H36 | H37 | 123.7° | 119.9° |
| N36 | C35 | O44 | C33 | 179.0° | 180.0° |
| N36 | C35 | C33 | C24 | 104.7° | 60.6° |
| N36 | C35 | C33 | O34 | 23.0° | 179.4° |
| N36 | C35 | C33 | H33 | 140.6° | 59.5° |
| C35 | N36 | C37 | H36 | 102.0° | 60.0° |
| C35 | N36 | C37 | H37 | 20.6° | 60.0° |
| N30 | C31 | C26 | C27 | 5.7° | 17.7° |
| N30 | C31 | C26 | O32 | 179.7° | 179.8° |
| N30 | C31 | C26 | C25 | 126.4° | 137.8° |
| N30 | C31 | C26 | H25 | 118.3° | 102.3° |
| C31 | N30 | C29 | H30 | 153.9° | 101.1° |
| C31 | N30 | C29 | H31 | 86.6° | 139.5° |
| C27 | C26 | C31 | C25 | 120.7° | 120.1° |
| C27 | C26 | C31 | H25 | 124.0° | 120.1° |
| C27 | C26 | C31 | O32 | 174.6° | 162.5° |
| C27 | C26 | C25 | H25 | 119.1° | 119.9° |
| C27 | C26 | C25 | C24 | 82.6° | 172.2° |
| C27 | C26 | C25 | H23 | 38.3° | 67.8° |
| C27 | C26 | C25 | H24 | 156.5° | 52.2° |
| C26 | C27 | H26 | H27 | 117.5° | 120.4° |
| C26 | C27 | C28 | H28 | 178.4° | 172.7° |
| C26 | C27 | C28 | H29 | 58.9° | 52.2° |
| O44 | C35 | C33 | C24 | 76.5° | 119.4° |
| O44 | C35 | C33 | O34 | 155.9° | 0.6° |
| O44 | C35 | C33 | H33 | 38.2° | 120.6° |
| O44 | C35 | N36 | H35 | 1.2° | 180.0° |
| C35 | C33 | C24 | C25 | 73.3° | 69.8° |
| C35 | C33 | C24 | O34 | 128.4° | 120.0° |
| C35 | C33 | C24 | H33 | 114.6° | 120.0° |
| C35 | C33 | O34 | H33 | 116.7° | 120.0° |
| C35 | C33 | C24 | N23 | 165.3° | 170.2° |
| C35 | C33 | C24 | H22 | 46.0° | 50.2° |
| C35 | C33 | O34 | H34 | 180.0° | 60.0° |
| C33 | C35 | N36 | H35 | 177.7° | 0.0° |
| C31 | C26 | C25 | H25 | 115.4° | 119.8° |
| C31 | C26 | C25 | C24 | 151.9° | 67.5° |
| C31 | C26 | C25 | H23 | 87.2° | 52.5° |
| C31 | C26 | C25 | H24 | 31.0° | 172.5° |
| C31 | C26 | C27 | H26 | 96.6° | 70.8° |
| C31 | C26 | C27 | H27 | 145.0° | 168.7° |
| C26 | C31 | N30 | H32 | 179.7° | 177.7° |
| O32 | C31 | C26 | C25 | 53.8° | 42.4° |
| O32 | C31 | C26 | H25 | 61.4° | 77.4° |
| O32 | C31 | N30 | H32 | 0.0° | 2.1° |
| C26 | C25 | C24 | H23 | 120.9° | 120.0° |
| C26 | C25 | C24 | H24 | 120.9° | 120.0° |
| C26 | C25 | C24 | C33 | 166.1° | 70.2° |
| C26 | C25 | C24 | N23 | 73.0° | 169.8° |
| C26 | C25 | C24 | H22 | 46.9° | 49.8° |
| C26 | C25 | H23 | H24 | 117.2° | 120.0° |
| C25 | C26 | C27 | H26 | 144.1° | 49.3° |
| C25 | C26 | C27 | H27 | 25.7° | 71.2° |
| C25 | C24 | C33 | N23 | 121.4° | 120.0° |
| C25 | C24 | C33 | H22 | 119.3° | 120.0° |
| C25 | C24 | C33 | O34 | 55.1° | 50.2° |
| C25 | C24 | N23 | H22 | 119.4° | 120.0° |
| C25 | C24 | N23 | C2 | 110.2° | 89.5° |
| C25 | C24 | N23 | H21 | 69.7° | 90.5° |
| C24 | C25 | H23 | H24 | 117.2° | 120.0° |
| C24 | C25 | C26 | H25 | 36.5° | 52.3° |
| C25 | C24 | C33 | H33 | 172.1° | 170.2° |
| C24 | C33 | O34 | H33 | 116.0° | 120.0° |
| C33 | C24 | N23 | H22 | 118.9° | 120.0° |
| C33 | C24 | N23 | C2 | 128.1° | 150.5° |
| C33 | C24 | N23 | H21 | 51.9° | 29.5° |
| C33 | C24 | C25 | H23 | 45.2° | 169.8° |
| C33 | C24 | C25 | H24 | 73.0° | 49.8° |
| C24 | C33 | O34 | H34 | 52.7° | 60.0° |
| O34 | C33 | C24 | N23 | 66.2° | 69.8° |
| O34 | C33 | C24 | H22 | 174.4° | 170.3° |
| C24 | N23 | C2 | H21 | 180.0° | 180.0° |
| C24 | N23 | C2 | O1 | 0.7° | 5.0° |
| C24 | N23 | C2 | C3 | 180.0° | 174.7° |
| N23 | C24 | C25 | H23 | 166.1° | 49.8° |
| N23 | C24 | C25 | H24 | 47.9° | 70.2° |
| N23 | C24 | C33 | H33 | 50.7° | 50.2° |
| N23 | C2 | O1 | C3 | 179.3° | 179.7° |
| N23 | C2 | C3 | N11 | 158.7° | 179.7° |
| N23 | C2 | C3 | C4 | 82.5° | 59.7° |
| N23 | C2 | C3 | H1 | 38.9° | 60.3° |
| C2 | N23 | C24 | H22 | 9.2° | 30.5° |
| O1 | C2 | C3 | N11 | 20.6° | 0.0° |
| O1 | C2 | C3 | C4 | 98.2° | 120.1° |
| O1 | C2 | C3 | H1 | 140.4° | 120.0° |
| O1 | C2 | N23 | H21 | 179.3° | 175.0° |
| C2 | C3 | N11 | C12 | 60.5° | 155.0° |
| C2 | C3 | N11 | C4 | 119.6° | 120.1° |
| C2 | C3 | N11 | H1 | 118.9° | 120.0° |
| C2 | C3 | C4 | H1 | 121.4° | 120.0° |
| C2 | C3 | C4 | C5 | 162.1° | 175.0° |
| C2 | C3 | C4 | H2 | 76.7° | 65.0° |
| C2 | C3 | C4 | H3 | 40.9° | 54.9° |
| C2 | C3 | N11 | H15 | 119.5° | 25.0° |
| C3 | C2 | N23 | H21 | 0.0° | 5.3° |
| O22 | C12 | C13 | C14 | 10.6° | 0.3° |
| O22 | C12 | C13 | N11 | 179.4° | 180.0° |
| O22 | C12 | C13 | O21 | 168.5° | 180.0° |
| O22 | C12 | N11 | C3 | 0.4° | 0.0° |
| O22 | C12 | N11 | H15 | 179.6° | 180.0° |
| C15 | C14 | C13 | H16 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 179.5° | 180.0° |
| C14 | C15 | C16 | C20 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 180.0° | 180.0° |
| C15 | C14 | C13 | O21 | 0.3° | 0.2° |
| C14 | C15 | C20 | O21 | 0.0° | 0.2° |
| C14 | C15 | C20 | C19 | 180.0° | 180.0° |
| C14 | C15 | C16 | H17 | 0.0° | 0.0° |
| C14 | C13 | C12 | O21 | 179.1° | 179.7° |
| C14 | C13 | C12 | N11 | 170.0° | 179.7° |
| C13 | C14 | C15 | C16 | 179.8° | 180.0° |
| C13 | C14 | C15 | C20 | 0.2° | 0.0° |
| C14 | C13 | O21 | C20 | 0.3° | 0.3° |
| C13 | C12 | N11 | C3 | 179.1° | 180.0° |
| C12 | C13 | O21 | C20 | 179.6° | 179.9° |
| C13 | C12 | N11 | H15 | 0.9° | 0.0° |
| C12 | C13 | C14 | H16 | 0.5° | 0.1° |
| N11 | C12 | C13 | O21 | 10.9° | 0.0° |
| C12 | N11 | C3 | H15 | 180.0° | 180.0° |
| C12 | N11 | C3 | C4 | 179.9° | 85.0° |
| C12 | N11 | C3 | H1 | 58.3° | 35.0° |
| C15 | C16 | C17 | H17 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.0° | 0.0° |
| C16 | C15 | C20 | O21 | 180.0° | 179.8° |
| C16 | C15 | C20 | C19 | 0.0° | 0.0° |
| C16 | C15 | C14 | H16 | 0.2° | 0.0° |
| C15 | C16 | C17 | H18 | 180.0° | 180.0° |
| C17 | C16 | C15 | C20 | 0.0° | 0.0° |
| C16 | C17 | C18 | H18 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.0° | 0.0° |
| C16 | C17 | C18 | H19 | 180.0° | 180.0° |
| C15 | C20 | O21 | C13 | 0.2° | 0.4° |
| C15 | C20 | O21 | C19 | 180.0° | 179.8° |
| C15 | C20 | C19 | C18 | 0.0° | 0.0° |
| C20 | C15 | C14 | H16 | 179.8° | 179.9° |
| C20 | C15 | C16 | H17 | 180.0° | 180.0° |
| C15 | C20 | C19 | H20 | 180.0° | 179.9° |
| C13 | O21 | C20 | C19 | 179.8° | 179.9° |
| O21 | C13 | C14 | H16 | 179.7° | 179.8° |
| N11 | C3 | C4 | H1 | 122.3° | 120.0° |
| N11 | C3 | C4 | C5 | 81.6° | 65.0° |
| N11 | C3 | C4 | H2 | 39.6° | 55.1° |
| N11 | C3 | C4 | H3 | 157.2° | 175.0° |
| C3 | C4 | C5 | H2 | 121.2° | 120.0° |
| C3 | C4 | C5 | H3 | 121.2° | 120.1° |
| C3 | C4 | C5 | C6 | 17.1° | 175.0° |
| C3 | C4 | C5 | C10 | 109.0° | 65.0° |
| C3 | C4 | H2 | H3 | 116.2° | 120.0° |
| C3 | C4 | C5 | H4 | 135.1° | 55.0° |
| C4 | C3 | N11 | H15 | 0.1° | 95.0° |
| C17 | C18 | C19 | C20 | 0.0° | 0.0° |
| C17 | C18 | C19 | H19 | 180.0° | 180.0° |
| C18 | C17 | C16 | H17 | 180.0° | 180.0° |
| C17 | C18 | C19 | H20 | 180.0° | 179.9° |
| O21 | C20 | C19 | C18 | 180.0° | 179.7° |
| O21 | C20 | C19 | H20 | 0.0° | 0.2° |
| C20 | C19 | C18 | H20 | 180.0° | 179.9° |
| C20 | C19 | C18 | H19 | 180.0° | 180.0° |
| C4 | C5 | C6 | C10 | 124.0° | 120.0° |
| C4 | C5 | C6 | H4 | 117.9° | 120.0° |
| C4 | C5 | C10 | H4 | 115.9° | 120.0° |
| C4 | C5 | C6 | C7 | 176.3° | 180.0° |
| C4 | C5 | C10 | C9 | 160.6° | 180.0° |
| C5 | C4 | C3 | H1 | 40.7° | 55.0° |
| C5 | C4 | H2 | H3 | 116.2° | 120.0° |
| C4 | C5 | C6 | H5 | 62.9° | 60.0° |
| C4 | C5 | C6 | H6 | 55.5° | 60.0° |
| C4 | C5 | C10 | H13 | 39.7° | 60.0° |
| C4 | C5 | C10 | H14 | 78.5° | 60.0° |
| C19 | C18 | C17 | H18 | 180.0° | 180.0° |
| C6 | C5 | C10 | H4 | 118.1° | 120.0° |
| C5 | C6 | C7 | H5 | 120.8° | 120.0° |
| C5 | C6 | C7 | H6 | 120.8° | 120.0° |
| C6 | C5 | C10 | C9 | 34.6° | 60.0° |
| C5 | C6 | C7 | C8 | 18.0° | 60.0° |
| C6 | C5 | C4 | H2 | 138.3° | 55.0° |
| C6 | C5 | C4 | H3 | 104.1° | 65.0° |
| C5 | C6 | H5 | H6 | 117.6° | 120.0° |
| C5 | C6 | C7 | H7 | 102.8° | 60.0° |
| C5 | C6 | C7 | H8 | 138.8° | 180.0° |
| C6 | C5 | C10 | H13 | 86.2° | 60.0° |
| C6 | C5 | C10 | H14 | 155.5° | 180.0° |
| C10 | C5 | C6 | C7 | 52.3° | 60.0° |
| C5 | C10 | C9 | H13 | 120.9° | 120.0° |
| C5 | C10 | C9 | H14 | 120.8° | 120.0° |
| C5 | C10 | C9 | C8 | 15.1° | 60.0° |
| C10 | C5 | C4 | H2 | 12.2° | 175.0° |
| C10 | C5 | C4 | H3 | 129.8° | 55.1° |
| C10 | C5 | C6 | H5 | 173.1° | 179.9° |
| C10 | C5 | C6 | H6 | 68.5° | 60.0° |
| C5 | C10 | C9 | H11 | 105.6° | 60.1° |
| C5 | C10 | C9 | H12 | 135.9° | 180.0° |
| C5 | C10 | H13 | H14 | 117.3° | 120.0° |
| C6 | C7 | C8 | H7 | 120.8° | 120.0° |
| C6 | C7 | C8 | H8 | 120.8° | 120.0° |
| C6 | C7 | C8 | C9 | 32.4° | 60.0° |
| C7 | C6 | C5 | H4 | 65.8° | 60.0° |
| C7 | C6 | H5 | H6 | 117.6° | 120.0° |
| C6 | C7 | H7 | H8 | 117.5° | 120.0° |
| C6 | C7 | C8 | H9 | 88.3° | 180.0° |
| C6 | C7 | C8 | H10 | 153.0° | 60.0° |
| C10 | C9 | C8 | C7 | 49.9° | 60.0° |
| C10 | C9 | C8 | H11 | 120.7° | 120.1° |
| C10 | C9 | C8 | H12 | 120.8° | 120.0° |
| C9 | C10 | C5 | H4 | 83.5° | 60.0° |
| C10 | C9 | C8 | H9 | 70.8° | 180.0° |
| C10 | C9 | C8 | H10 | 170.5° | 60.0° |
| C10 | C9 | H11 | H12 | 117.6° | 120.0° |
| C9 | C10 | H13 | H14 | 117.4° | 120.0° |
| C7 | C8 | C9 | H9 | 120.7° | 120.0° |
| C7 | C8 | C9 | H10 | 120.7° | 120.0° |
| C8 | C7 | C6 | H5 | 138.8° | 180.0° |
| C8 | C7 | C6 | H6 | 102.8° | 60.0° |
| C8 | C7 | H7 | H8 | 117.4° | 120.0° |
| C7 | C8 | H9 | H10 | 117.9° | 120.0° |
| C7 | C8 | C9 | H11 | 70.9° | 60.0° |
| C7 | C8 | C9 | H12 | 170.6° | 180.0° |
| C9 | C8 | C7 | H7 | 153.2° | 60.0° |
| C9 | C8 | C7 | H8 | 88.5° | 180.0° |
| C9 | C8 | H9 | H10 | 117.8° | 120.0° |
| C8 | C9 | H11 | H12 | 117.7° | 120.0° |
| C8 | C9 | C10 | H13 | 136.0° | 60.0° |
| C8 | C9 | C10 | H14 | 105.7° | 180.0° |
| H1 | C3 | C4 | H2 | 161.9° | 175.1° |
| H1 | C3 | C4 | H3 | 80.5° | 65.0° |
| H1 | C3 | N11 | H15 | 121.7° | 145.0° |
| H2 | C4 | C5 | H4 | 103.8° | 65.0° |
| H3 | C4 | C5 | H4 | 13.9° | 175.0° |
| H4 | C5 | C6 | H5 | 55.0° | 60.0° |
| H4 | C5 | C6 | H6 | 173.4° | 180.0° |
| H4 | C5 | C10 | H13 | 155.7° | 180.0° |
| H4 | C5 | C10 | H14 | 37.4° | 60.0° |
| H5 | C6 | C7 | H7 | 18.0° | 60.0° |
| H5 | C6 | C7 | H8 | 100.4° | 60.0° |
| H6 | C6 | C7 | H7 | 136.4° | 180.0° |
| H6 | C6 | C7 | H8 | 18.0° | 60.0° |
| H7 | C7 | C8 | H9 | 32.5° | 60.0° |
| H7 | C7 | C8 | H10 | 86.2° | 180.0° |
| H8 | C7 | C8 | H9 | 150.8° | 60.0° |
| H8 | C7 | C8 | H10 | 32.2° | 60.0° |
| H9 | C8 | C9 | H11 | 168.4° | 60.0° |
| H9 | C8 | C9 | H12 | 49.9° | 59.9° |
| H10 | C8 | C9 | H11 | 49.8° | 179.9° |
| H10 | C8 | C9 | H12 | 68.7° | 60.0° |
| H11 | C9 | C10 | H13 | 15.2° | 179.9° |
| H11 | C9 | C10 | H14 | 133.5° | 59.9° |
| H12 | C9 | C10 | H13 | 103.2° | 60.0° |
| H12 | C9 | C10 | H14 | 15.1° | 60.0° |
| H17 | C16 | C17 | H18 | 0.1° | 0.0° |
| H18 | C17 | C18 | H19 | 0.0° | 0.0° |
| H19 | C18 | C19 | H20 | 0.0° | 0.1° |
| H21 | N23 | C24 | H22 | 170.8° | 149.5° |
| H22 | C24 | C25 | H23 | 74.0° | 70.2° |
| H22 | C24 | C25 | H24 | 167.8° | 169.8° |
| H22 | C24 | C33 | H33 | 68.7° | 69.8° |
| H23 | C25 | C26 | H25 | 157.4° | 172.3° |
| H24 | C25 | C26 | H25 | 84.4° | 67.7° |
| H25 | C26 | C27 | H26 | 26.4° | 169.1° |
| H25 | C26 | C27 | H27 | 92.0° | 48.7° |
| H26 | C27 | C28 | H28 | 60.9° | 67.5° |
| H26 | C27 | C28 | H29 | 179.7° | 171.9° |
| H27 | C27 | C28 | H28 | 57.6° | 53.1° |
| H27 | C27 | C28 | H29 | 61.9° | 67.5° |
| H28 | C28 | C29 | H30 | 53.9° | 50.1° |
| H28 | C28 | C29 | H31 | 65.7° | 69.2° |
| H29 | C28 | C29 | H30 | 65.6° | 170.7° |
| H29 | C28 | C29 | H31 | 174.9° | 51.3° |
| H30 | C29 | N30 | H32 | 26.1° | 78.8° |
| H31 | C29 | N30 | H32 | 93.4° | 40.6° |
| H33 | C33 | O34 | H34 | 63.3° | 179.9° |
| H35 | N36 | C37 | H36 | 78.0° | 120.0° |
| H35 | N36 | C37 | H37 | 159.4° | 120.0° |
| H38 | C39 | C40 | H39 | 1.0° | 0.1° |
| H39 | C40 | C41 | H40 | 0.1° | 0.0° |
| H40 | C41 | C42 | H41 | 0.1° | 0.0° |
| H41 | C42 | C43 | H42 | 0.9° | 0.3° |
