B37
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N5 | C4 | doub | 1.34Å | 1.40Å | Aromatic |
| C4 | C3 | sing | 1.42Å | 1.49Å | Aromatic |
| C4 | C12 | sing | 1.41Å | 1.42Å | Aromatic |
| C16 | C6 | sing | 1.51Å | 1.50Å | |
| C6 | C1 | doub | 1.39Å | 1.43Å | Aromatic |
| C6 | N5 | sing | 1.31Å | 1.38Å | Aromatic |
| C9 | C10 | doub | 1.36Å | 1.46Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.45Å | Aromatic |
| C10 | C20 | sing | 1.51Å | 1.52Å | |
| C20 | C21 | sing | 1.53Å | 1.57Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C21 | C28 | sing | 1.53Å | 1.58Å | |
| C21 | C24 | sing | 1.53Å | 1.55Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | C25 | sing | 1.53Å | 1.55Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C28 | C27 | sing | 1.53Å | 1.54Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C1 | C2 | sing | 1.37Å | 1.44Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | C3 | doub | 1.41Å | 1.43Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | C9 | sing | 1.40Å | 1.45Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | C11 | doub | 1.36Å | 1.42Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C16 | H16B | sing | 1.09Å | 1.10Å | |
| C25 | N26 | sing | 1.47Å | 1.53Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C27 | N26 | sing | 1.47Å | 1.50Å | |
| N26 | C38 | sing | 1.35Å | 1.45Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C38 | C39 | sing | 1.48Å | 1.54Å | |
| C38 | O65 | doub | 1.21Å | 1.22Å | |
| C39 | C40 | doub | 1.42Å | 1.50Å | Aromatic |
| C39 | C44 | sing | 1.39Å | 1.44Å | Aromatic |
| C46 | C40 | sing | 1.40Å | 1.46Å | Aromatic |
| C40 | C41 | sing | 1.42Å | 1.49Å | Aromatic |
| C41 | C49 | sing | 1.41Å | 1.44Å | Aromatic |
| C41 | N42 | doub | 1.33Å | 1.40Å | Aromatic |
| C43 | N42 | sing | 1.32Å | 1.42Å | Aromatic |
| C44 | C43 | doub | 1.40Å | 1.42Å | Aromatic |
| C43 | C54 | sing | 1.48Å | 1.51Å | Aromatic |
| C44 | H44 | sing | 1.08Å | 1.08Å | |
| C46 | C47 | doub | 1.36Å | 1.44Å | Aromatic |
| C46 | H46 | sing | 1.08Å | 1.08Å | |
| C47 | C48 | sing | 1.39Å | 1.44Å | Aromatic |
| C47 | H47 | sing | 1.08Å | 1.08Å | |
| C48 | C49 | doub | 1.36Å | 1.43Å | Aromatic |
| C48 | H48 | sing | 1.08Å | 1.08Å | |
| C49 | H49 | sing | 1.08Å | 1.08Å | |
| C55 | C54 | doub | 1.39Å | 1.43Å | Aromatic |
| C54 | C59 | sing | 1.39Å | 1.45Å | Aromatic |
| C55 | C56 | sing | 1.38Å | 1.44Å | Aromatic |
| C55 | H55 | sing | 1.08Å | 1.08Å | |
| C56 | C57 | doub | 1.38Å | 1.44Å | Aromatic |
| C56 | H56 | sing | 1.08Å | 1.08Å | |
| C57 | C58 | sing | 1.38Å | 1.43Å | Aromatic |
| C57 | H57 | sing | 1.08Å | 1.08Å | |
| C59 | C58 | doub | 1.38Å | 1.43Å | Aromatic |
| C58 | H58 | sing | 1.08Å | 1.08Å | |
| C59 | H59 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N5 | C4 | C3 | 118.7° | 119.8° |
| N5 | C4 | C12 | 122.7° | 121.0° |
| C4 | N5 | C6 | 122.5° | 121.3° |
| C3 | C4 | C12 | 118.6° | 119.1° |
| C4 | C3 | C2 | 118.2° | 119.0° |
| C4 | C3 | C9 | 120.4° | 119.6° |
| C4 | C12 | C11 | 120.6° | 119.7° |
| C4 | C12 | H12 | 119.7° | 120.2° |
| C16 | C6 | C1 | 121.7° | 119.1° |
| C16 | C6 | N5 | 117.5° | 119.1° |
| C6 | C16 | H16 | 109.5° | 109.5° |
| C6 | C16 | H16A | 109.5° | 109.5° |
| C6 | C16 | H16B | 109.4° | 109.5° |
| C1 | C6 | N5 | 120.8° | 121.8° |
| C6 | C1 | C2 | 119.2° | 120.0° |
| C6 | C1 | H1 | 120.4° | 120.0° |
| C9 | C10 | C11 | 118.1° | 120.9° |
| C9 | C10 | C20 | 123.6° | 119.6° |
| C10 | C9 | C3 | 119.6° | 119.6° |
| C10 | C9 | H9 | 120.2° | 120.2° |
| C11 | C10 | C20 | 118.2° | 119.6° |
| C10 | C11 | C12 | 122.6° | 121.1° |
| C10 | C11 | H11 | 118.7° | 119.5° |
| C10 | C20 | C21 | 116.9° | 109.5° |
| C10 | C20 | H20 | 107.1° | 109.5° |
| C10 | C20 | H20A | 105.4° | 109.5° |
| C21 | C20 | H20 | 107.1° | 109.4° |
| C21 | C20 | H20A | 105.4° | 109.5° |
| C20 | C21 | C28 | 114.1° | 109.5° |
| C20 | C21 | C24 | 107.9° | 109.4° |
| C20 | C21 | H21 | 107.6° | 109.4° |
| H20 | C20 | H20A | 115.4° | 109.5° |
| C28 | C21 | C24 | 110.2° | 109.6° |
| C28 | C21 | H21 | 105.2° | 109.5° |
| C21 | C28 | C27 | 109.9° | 109.3° |
| C21 | C28 | H28 | 109.3° | 109.5° |
| C21 | C28 | H28A | 109.3° | 109.5° |
| C24 | C21 | H21 | 111.8° | 109.4° |
| C21 | C24 | C25 | 113.5° | 109.3° |
| C21 | C24 | H24 | 108.1° | 109.5° |
| C21 | C24 | H24A | 107.2° | 109.5° |
| C25 | C24 | H24 | 108.1° | 109.5° |
| C25 | C24 | H24A | 107.2° | 109.5° |
| C24 | C25 | N26 | 112.9° | 108.8° |
| C24 | C25 | H25 | 108.3° | 109.6° |
| C24 | C25 | H25A | 107.6° | 109.6° |
| H24 | C24 | H24A | 112.7° | 109.6° |
| C27 | C28 | H28 | 109.3° | 109.5° |
| C27 | C28 | H28A | 109.2° | 109.5° |
| C28 | C27 | N26 | 109.2° | 108.8° |
| C28 | C27 | H27 | 109.6° | 109.6° |
| C28 | C27 | H27A | 109.6° | 109.6° |
| H28 | C28 | H28A | 109.8° | 109.5° |
| C2 | C1 | H1 | 120.4° | 120.0° |
| C1 | C2 | C3 | 120.6° | 118.1° |
| C1 | C2 | H2 | 119.7° | 121.0° |
| C3 | C2 | H2 | 119.7° | 120.9° |
| C2 | C3 | C9 | 121.4° | 121.4° |
| C3 | C9 | H9 | 120.2° | 120.2° |
| C12 | C11 | H11 | 118.7° | 119.5° |
| C11 | C12 | H12 | 119.7° | 120.1° |
| H16 | C16 | H16A | 109.5° | 109.5° |
| H16 | C16 | H16B | 109.4° | 109.5° |
| H16A | C16 | H16B | 109.5° | 109.4° |
| N26 | C25 | H25 | 108.4° | 109.6° |
| N26 | C25 | H25A | 107.6° | 109.6° |
| C25 | N26 | C27 | 115.8° | 118.8° |
| C25 | N26 | C38 | 120.7° | 120.6° |
| H25 | C25 | H25A | 112.1° | 109.7° |
| C27 | N26 | C38 | 123.5° | 120.6° |
| N26 | C27 | H27 | 109.6° | 109.6° |
| N26 | C27 | H27A | 109.6° | 109.6° |
| N26 | C38 | C39 | 118.0° | 119.9° |
| N26 | C38 | O65 | 119.0° | 120.0° |
| H27 | C27 | H27A | 109.2° | 109.7° |
| C39 | C38 | O65 | 120.0° | 120.0° |
| C38 | C39 | C40 | 124.4° | 121.0° |
| C38 | C39 | C44 | 117.2° | 121.1° |
| C40 | C39 | C44 | 118.4° | 117.9° |
| C39 | C40 | C46 | 124.2° | 121.3° |
| C39 | C40 | C41 | 118.4° | 119.1° |
| C39 | C44 | C43 | 122.2° | 119.5° |
| C39 | C44 | H44 | 118.9° | 120.3° |
| C46 | C40 | C41 | 117.4° | 119.6° |
| C40 | C46 | C47 | 121.4° | 119.7° |
| C40 | C46 | H46 | 119.3° | 120.1° |
| C40 | C41 | C49 | 120.0° | 119.1° |
| C40 | C41 | N42 | 117.9° | 120.1° |
| C49 | C41 | N42 | 122.1° | 120.9° |
| C41 | C49 | C48 | 120.7° | 119.8° |
| C41 | C49 | H49 | 119.7° | 120.1° |
| C41 | N42 | C43 | 125.1° | 121.8° |
| N42 | C43 | C44 | 118.0° | 121.6° |
| N42 | C43 | C54 | 117.7° | 119.2° |
| C44 | C43 | C54 | 124.3° | 119.2° |
| C43 | C44 | H44 | 118.9° | 120.2° |
| C43 | C54 | C55 | 124.3° | 120.1° |
| C43 | C54 | C59 | 119.0° | 120.1° |
| C47 | C46 | H46 | 119.3° | 120.1° |
| C46 | C47 | C48 | 120.3° | 120.8° |
| C46 | C47 | H47 | 119.8° | 119.6° |
| C48 | C47 | H47 | 119.8° | 119.6° |
| C47 | C48 | C49 | 120.2° | 121.0° |
| C47 | C48 | H48 | 119.9° | 119.5° |
| C49 | C48 | H48 | 119.9° | 119.5° |
| C48 | C49 | H49 | 119.7° | 120.1° |
| C55 | C54 | C59 | 116.8° | 119.8° |
| C54 | C55 | C56 | 121.8° | 119.8° |
| C54 | C55 | H55 | 119.1° | 120.1° |
| C54 | C59 | C58 | 122.2° | 119.8° |
| C54 | C59 | H59 | 118.9° | 120.1° |
| C56 | C55 | H55 | 119.1° | 120.1° |
| C55 | C56 | C57 | 120.4° | 120.1° |
| C55 | C56 | H56 | 119.8° | 120.0° |
| C57 | C56 | H56 | 119.8° | 119.9° |
| C56 | C57 | C58 | 118.9° | 120.3° |
| C56 | C57 | H57 | 120.6° | 119.9° |
| C58 | C57 | H57 | 120.6° | 119.9° |
| C57 | C58 | C59 | 120.0° | 120.1° |
| C57 | C58 | H58 | 120.0° | 119.9° |
| C59 | C58 | H58 | 120.0° | 119.9° |
| C58 | C59 | H59 | 118.9° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N5 | C4 | C3 | C12 | 179.7° | 179.8° |
| C4 | N5 | C6 | C16 | 179.6° | 179.7° |
| C4 | N5 | C6 | C1 | 0.1° | 0.0° |
| N5 | C4 | C3 | C2 | 0.5° | 0.2° |
| N5 | C4 | C3 | C9 | 179.7° | 179.7° |
| N5 | C4 | C12 | C11 | 179.2° | 179.7° |
| N5 | C4 | C12 | H12 | 0.8° | 0.2° |
| C3 | C4 | N5 | C6 | 0.5° | 0.0° |
| C4 | C3 | C9 | C10 | 0.3° | 0.0° |
| C4 | C3 | C2 | C1 | 0.1° | 0.5° |
| C4 | C3 | C2 | C9 | 179.2° | 179.9° |
| C4 | C3 | C2 | H2 | 179.9° | 180.0° |
| C4 | C3 | C9 | H9 | 179.7° | 179.9° |
| C3 | C4 | C12 | C11 | 0.5° | 0.1° |
| C3 | C4 | C12 | H12 | 179.5° | 180.0° |
| C12 | C4 | N5 | C6 | 179.2° | 179.8° |
| C4 | C12 | C11 | C10 | 0.6° | 0.0° |
| C12 | C4 | C3 | C2 | 179.2° | 180.0° |
| C12 | C4 | C3 | C9 | 0.0° | 0.1° |
| C4 | C12 | C11 | H12 | 180.0° | 179.9° |
| C4 | C12 | C11 | H11 | 179.4° | 180.0° |
| C16 | C6 | C1 | N5 | 179.7° | 179.7° |
| C16 | C6 | C1 | C2 | 179.9° | 180.0° |
| C16 | C6 | C1 | H1 | 0.1° | 0.3° |
| C6 | C16 | H16 | H16A | 120.0° | 120.0° |
| C6 | C16 | H16 | H16B | 120.0° | 120.0° |
| C6 | C16 | H16A | H16B | 120.0° | 120.0° |
| C6 | C1 | C2 | H1 | 180.0° | 179.7° |
| C6 | C1 | C2 | C3 | 0.2° | 0.5° |
| C6 | C1 | C2 | H2 | 179.8° | 179.9° |
| C1 | C6 | C16 | H16 | 100.6° | 90.0° |
| C1 | C6 | C16 | H16A | 139.4° | 150.0° |
| C1 | C6 | C16 | H16B | 19.4° | 30.0° |
| N5 | C6 | C1 | C2 | 0.2° | 0.3° |
| N5 | C6 | C1 | H1 | 179.8° | 180.0° |
| N5 | C6 | C16 | H16 | 79.1° | 90.3° |
| N5 | C6 | C16 | H16A | 40.9° | 29.7° |
| N5 | C6 | C16 | H16B | 160.9° | 149.7° |
| C9 | C10 | C11 | C20 | 178.0° | 179.9° |
| C9 | C10 | C20 | C21 | 46.6° | 90.0° |
| C9 | C10 | C20 | H20 | 73.4° | 150.0° |
| C9 | C10 | C20 | H20A | 163.2° | 30.0° |
| C10 | C9 | C3 | C2 | 178.8° | 179.9° |
| C10 | C9 | C3 | H9 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 0.2° | 0.1° |
| C9 | C10 | C11 | H11 | 179.8° | 179.9° |
| C11 | C10 | C20 | C21 | 131.3° | 90.1° |
| C11 | C10 | C20 | H20 | 108.7° | 29.9° |
| C11 | C10 | C20 | H20A | 14.7° | 149.9° |
| C11 | C10 | C9 | C3 | 0.3° | 0.1° |
| C11 | C10 | C9 | H9 | 179.7° | 180.0° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | H12 | 179.4° | 179.9° |
| C10 | C20 | C21 | H20 | 120.0° | 120.0° |
| C10 | C20 | C21 | H20A | 116.6° | 120.0° |
| C10 | C20 | H20 | H20A | 117.0° | 120.0° |
| C10 | C20 | C21 | C28 | 52.6° | 175.0° |
| C10 | C20 | C21 | C24 | 175.4° | 64.9° |
| C10 | C20 | C21 | H21 | 63.8° | 55.0° |
| C20 | C10 | C9 | C3 | 177.6° | 180.0° |
| C20 | C10 | C9 | H9 | 2.4° | 0.1° |
| C20 | C10 | C11 | C12 | 178.1° | 180.0° |
| C20 | C10 | C11 | H11 | 1.8° | 0.0° |
| C21 | C20 | H20 | H20A | 117.0° | 120.0° |
| C20 | C21 | C28 | C24 | 121.5° | 120.0° |
| C20 | C21 | C28 | H21 | 117.8° | 120.0° |
| C20 | C21 | C24 | H21 | 118.2° | 119.9° |
| C20 | C21 | C24 | C25 | 175.6° | 178.6° |
| C20 | C21 | C24 | H24 | 64.4° | 58.7° |
| C20 | C21 | C24 | H24A | 57.4° | 61.5° |
| C20 | C21 | C28 | C27 | 179.7° | 178.6° |
| C20 | C21 | C28 | H28 | 60.3° | 61.5° |
| C20 | C21 | C28 | H28A | 59.9° | 58.6° |
| H20 | C20 | C21 | C28 | 172.6° | 65.0° |
| H20 | C20 | C21 | C24 | 64.6° | 55.1° |
| H20 | C20 | C21 | H21 | 56.2° | 175.0° |
| H20A | C20 | C21 | C28 | 64.0° | 55.0° |
| H20A | C20 | C21 | C24 | 58.8° | 175.1° |
| H20A | C20 | C21 | H21 | 179.6° | 65.0° |
| C28 | C21 | C24 | H21 | 116.7° | 120.1° |
| C28 | C21 | C24 | C25 | 50.4° | 61.4° |
| C28 | C21 | C24 | H24 | 170.4° | 178.7° |
| C28 | C21 | C24 | H24A | 67.8° | 58.5° |
| C21 | C28 | C27 | H28 | 120.0° | 119.9° |
| C21 | C28 | C27 | H28A | 119.9° | 120.0° |
| C21 | C28 | H28 | H28A | 119.9° | 120.1° |
| C21 | C28 | C27 | N26 | 60.5° | 54.6° |
| C21 | C28 | C27 | H27 | 179.5° | 174.4° |
| C21 | C28 | C27 | H27A | 59.6° | 65.2° |
| C21 | C24 | C25 | H24 | 120.0° | 119.9° |
| C21 | C24 | C25 | H24A | 118.2° | 119.9° |
| C21 | C24 | H24 | H24A | 118.3° | 120.1° |
| C24 | C21 | C28 | C27 | 58.8° | 61.4° |
| C24 | C21 | C28 | H28 | 61.2° | 58.6° |
| C24 | C21 | C28 | H28A | 178.6° | 178.6° |
| C21 | C24 | C25 | N26 | 44.1° | 54.6° |
| C21 | C24 | C25 | H25 | 75.9° | 65.2° |
| C21 | C24 | C25 | H25A | 162.7° | 174.4° |
| H21 | C21 | C24 | C25 | 66.2° | 58.7° |
| H21 | C21 | C24 | H24 | 53.8° | 61.3° |
| H21 | C21 | C24 | H24A | 175.6° | 178.6° |
| H21 | C21 | C28 | C27 | 61.9° | 58.7° |
| H21 | C21 | C28 | H28 | 178.1° | 178.6° |
| H21 | C21 | C28 | H28A | 57.9° | 61.3° |
| C25 | C24 | H24 | H24A | 118.4° | 120.1° |
| C24 | C25 | N26 | H25 | 120.0° | 119.8° |
| C24 | C25 | N26 | H25A | 118.6° | 119.8° |
| C24 | C25 | H25 | H25A | 118.6° | 120.4° |
| C24 | C25 | N26 | C27 | 47.5° | 53.6° |
| C24 | C25 | N26 | C38 | 133.2° | 126.4° |
| H24 | C24 | C25 | N26 | 164.1° | 174.6° |
| H24 | C24 | C25 | H25 | 44.1° | 54.8° |
| H24 | C24 | C25 | H25A | 77.3° | 65.7° |
| H24A | C24 | C25 | N26 | 74.1° | 65.3° |
| H24A | C24 | C25 | H25 | 165.9° | 175.0° |
| H24A | C24 | C25 | H25A | 44.5° | 54.5° |
| C27 | C28 | H28 | H28A | 119.8° | 120.1° |
| C28 | C27 | N26 | C25 | 55.7° | 53.6° |
| C28 | C27 | N26 | H27 | 120.0° | 119.8° |
| C28 | C27 | N26 | H27A | 120.1° | 119.8° |
| C28 | C27 | N26 | C38 | 124.9° | 126.4° |
| C28 | C27 | H27 | H27A | 120.1° | 120.3° |
| H28 | C28 | C27 | N26 | 59.5° | 65.3° |
| H28 | C28 | C27 | H27 | 60.5° | 54.5° |
| H28 | C28 | C27 | H27A | 179.6° | 174.9° |
| H28A | C28 | C27 | N26 | 179.6° | 174.6° |
| H28A | C28 | C27 | H27 | 59.6° | 65.6° |
| H28A | C28 | C27 | H27A | 60.2° | 54.8° |
| C1 | C2 | C3 | H2 | 180.0° | 179.5° |
| C1 | C2 | C3 | C9 | 179.3° | 179.5° |
| H1 | C1 | C2 | C3 | 179.8° | 179.8° |
| H1 | C1 | C2 | H2 | 0.2° | 0.2° |
| C2 | C3 | C9 | H9 | 1.2° | 0.0° |
| H2 | C2 | C3 | C9 | 0.7° | 0.1° |
| H11 | C11 | C12 | H12 | 0.6° | 0.0° |
| H16 | C16 | H16A | H16B | 120.0° | 120.0° |
| N26 | C25 | H25 | H25A | 118.6° | 120.3° |
| C25 | N26 | C27 | C38 | 179.3° | 180.0° |
| C25 | N26 | C27 | H27 | 175.8° | 173.4° |
| C25 | N26 | C27 | H27A | 64.4° | 66.2° |
| C25 | N26 | C38 | C39 | 177.3° | 176.0° |
| C25 | N26 | C38 | O65 | 22.3° | 3.9° |
| H25 | C25 | N26 | C27 | 72.5° | 66.2° |
| H25 | C25 | N26 | C38 | 106.8° | 113.8° |
| H25A | C25 | N26 | C27 | 166.0° | 173.4° |
| H25A | C25 | N26 | C38 | 14.6° | 6.6° |
| N26 | C27 | H27 | H27A | 120.1° | 120.4° |
| C27 | N26 | C38 | C39 | 3.4° | 4.0° |
| C27 | N26 | C38 | O65 | 157.0° | 176.0° |
| C38 | N26 | C27 | H27 | 4.9° | 6.6° |
| C38 | N26 | C27 | H27A | 115.0° | 113.8° |
| N26 | C38 | C39 | O65 | 160.2° | 180.0° |
| N26 | C38 | C39 | C40 | 94.0° | 126.1° |
| N26 | C38 | C39 | C44 | 86.4° | 53.6° |
| C38 | C39 | C40 | C44 | 179.7° | 179.8° |
| C38 | C39 | C40 | C46 | 0.3° | 0.0° |
| C38 | C39 | C40 | C41 | 179.6° | 180.0° |
| C38 | C39 | C44 | C43 | 179.4° | 179.6° |
| C38 | C39 | C44 | H44 | 0.7° | 0.0° |
| O65 | C38 | C39 | C40 | 105.8° | 53.8° |
| O65 | C38 | C39 | C44 | 73.9° | 126.4° |
| C39 | C40 | C46 | C41 | 179.9° | 180.0° |
| C39 | C40 | C41 | C49 | 179.8° | 180.0° |
| C39 | C40 | C41 | N42 | 0.2° | 0.1° |
| C40 | C39 | C44 | C43 | 0.3° | 0.6° |
| C40 | C39 | C44 | H44 | 179.6° | 179.7° |
| C39 | C40 | C46 | C47 | 179.8° | 180.0° |
| C39 | C40 | C46 | H46 | 0.1° | 0.1° |
| C44 | C39 | C40 | C46 | 180.0° | 179.7° |
| C44 | C39 | C40 | C41 | 0.1° | 0.3° |
| C39 | C44 | C43 | N42 | 0.3° | 0.7° |
| C39 | C44 | C43 | H44 | 180.0° | 179.6° |
| C39 | C44 | C43 | C54 | 179.9° | 179.7° |
| C46 | C40 | C41 | C49 | 0.4° | 0.0° |
| C46 | C40 | C41 | N42 | 179.7° | 179.9° |
| C40 | C46 | C47 | H46 | 180.0° | 179.9° |
| C40 | C46 | C47 | C48 | 0.0° | 0.0° |
| C40 | C46 | C47 | H47 | 180.0° | 180.0° |
| C40 | C41 | C49 | N42 | 180.0° | 179.9° |
| C40 | C41 | N42 | C43 | 0.3° | 0.1° |
| C41 | C40 | C46 | C47 | 0.3° | 0.0° |
| C41 | C40 | C46 | H46 | 179.7° | 179.9° |
| C40 | C41 | C49 | C48 | 0.1° | 0.0° |
| C40 | C41 | C49 | H49 | 179.9° | 180.0° |
| C49 | C41 | N42 | C43 | 179.7° | 180.0° |
| C41 | C49 | C48 | C47 | 0.2° | 0.1° |
| C41 | C49 | C48 | H49 | 180.0° | 180.0° |
| C41 | C49 | C48 | H48 | 179.8° | 180.0° |
| C41 | N42 | C43 | C44 | 0.1° | 0.3° |
| C41 | N42 | C43 | C54 | 179.8° | 180.0° |
| N42 | C41 | C49 | C48 | 179.9° | 179.9° |
| N42 | C41 | C49 | H49 | 0.0° | 0.1° |
| N42 | C43 | C44 | C54 | 179.9° | 179.7° |
| N42 | C43 | C44 | H44 | 179.7° | 179.7° |
| N42 | C43 | C54 | C55 | 29.1° | 179.7° |
| N42 | C43 | C54 | C59 | 151.0° | 0.0° |
| C44 | C43 | C54 | C55 | 150.7° | 0.6° |
| C44 | C43 | C54 | C59 | 29.1° | 179.6° |
| C54 | C43 | C44 | H44 | 0.1° | 0.0° |
| C43 | C54 | C55 | C59 | 179.8° | 179.7° |
| C43 | C54 | C55 | C56 | 179.8° | 180.0° |
| C43 | C54 | C55 | H55 | 0.2° | 0.1° |
| C43 | C54 | C59 | C58 | 179.5° | 179.8° |
| C43 | C54 | C59 | H59 | 0.4° | 0.0° |
| C46 | C47 | C48 | H47 | 180.0° | 180.0° |
| C46 | C47 | C48 | C49 | 0.3° | 0.1° |
| C46 | C47 | C48 | H48 | 179.7° | 180.0° |
| H46 | C46 | C47 | C48 | 180.0° | 179.9° |
| H46 | C46 | C47 | H47 | 0.1° | 0.1° |
| C47 | C48 | C49 | H48 | 180.0° | 179.9° |
| C47 | C48 | C49 | H49 | 179.7° | 179.9° |
| H47 | C47 | C48 | C49 | 179.7° | 179.9° |
| H47 | C47 | C48 | H48 | 0.3° | 0.0° |
| H48 | C48 | C49 | H49 | 0.2° | 0.0° |
| C54 | C55 | C56 | H55 | 180.0° | 179.9° |
| C54 | C55 | C56 | C57 | 0.2° | 0.0° |
| C54 | C55 | C56 | H56 | 179.8° | 180.0° |
| C55 | C54 | C59 | C58 | 0.3° | 0.5° |
| C55 | C54 | C59 | H59 | 179.7° | 179.7° |
| C59 | C54 | C55 | C56 | 0.1° | 0.2° |
| C59 | C54 | C55 | H55 | 179.9° | 179.8° |
| C54 | C59 | C58 | C57 | 0.3° | 0.4° |
| C54 | C59 | C58 | H59 | 180.0° | 179.8° |
| C54 | C59 | C58 | H58 | 179.7° | 179.7° |
| C55 | C56 | C57 | H56 | 180.0° | 180.0° |
| C55 | C56 | C57 | C58 | 0.2° | 0.0° |
| C55 | C56 | C57 | H57 | 179.8° | 180.0° |
| H55 | C55 | C56 | C57 | 179.8° | 179.9° |
| H55 | C55 | C56 | H56 | 0.2° | 0.1° |
| C56 | C57 | C58 | H57 | 180.0° | 180.0° |
| C56 | C57 | C58 | C59 | 0.0° | 0.2° |
| C56 | C57 | C58 | H58 | 180.0° | 180.0° |
| H56 | C56 | C57 | C58 | 179.8° | 180.0° |
| H56 | C56 | C57 | H57 | 0.2° | 0.0° |
| C57 | C58 | C59 | H58 | 180.0° | 179.8° |
| C57 | C58 | C59 | H59 | 179.7° | 179.8° |
| H57 | C57 | C58 | C59 | 180.0° | 179.8° |
| H57 | C57 | C58 | H58 | 0.0° | 0.1° |
| H58 | C58 | C59 | H59 | 0.3° | 0.1° |
