073
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O71 | C65 | doub | 1.21Å | 1.22Å | |
| C65 | O66 | sing | 1.35Å | 1.45Å | |
| C65 | C58 | sing | 1.48Å | 1.52Å | |
| O66 | C67 | sing | 1.45Å | 1.44Å | |
| C67 | H671 | sing | 1.09Å | 1.12Å | |
| C67 | H672 | sing | 1.09Å | 1.12Å | |
| C67 | H673 | sing | 1.09Å | 1.12Å | |
| C58 | C57 | doub | 1.40Å | 1.40Å | Aromatic |
| C58 | C59 | sing | 1.40Å | 1.39Å | Aromatic |
| C57 | C56 | sing | 1.38Å | 1.39Å | Aromatic |
| C57 | H57 | sing | 1.08Å | 1.10Å | |
| C56 | C55 | doub | 1.38Å | 1.40Å | Aromatic |
| C56 | H56 | sing | 1.08Å | 1.10Å | |
| C59 | C60 | doub | 1.38Å | 1.40Å | Aromatic |
| C59 | H59 | sing | 1.08Å | 1.10Å | |
| C60 | C55 | sing | 1.38Å | 1.40Å | Aromatic |
| C60 | H60 | sing | 1.08Å | 1.10Å | |
| C55 | C11 | sing | 1.51Å | 1.51Å | |
| C11 | N12 | sing | 1.46Å | 1.51Å | |
| C11 | C13 | sing | 1.53Å | 1.55Å | |
| C11 | C37 | sing | 1.53Å | 1.54Å | |
| N12 | N23 | sing | 1.40Å | 1.39Å | Aromatic |
| N12 | C19 | sing | 1.37Å | 1.35Å | Aromatic |
| N23 | N22 | doub | 1.29Å | 1.39Å | Aromatic |
| N22 | C18 | sing | 1.35Å | 1.36Å | Aromatic |
| C18 | C17 | sing | 1.40Å | 1.39Å | Aromatic |
| C18 | C19 | doub | 1.41Å | 1.40Å | Aromatic |
| C17 | C16 | doub | 1.36Å | 1.40Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.10Å | |
| C19 | C20 | sing | 1.39Å | 1.41Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.10Å | |
| C21 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.10Å | |
| C16 | H16 | sing | 1.08Å | 1.10Å | |
| C13 | C2 | sing | 1.51Å | 1.52Å | |
| C13 | H131 | sing | 1.09Å | 1.12Å | |
| C13 | H132 | sing | 1.09Å | 1.11Å | |
| C2 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.41Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C4 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C5 | C28 | sing | 1.51Å | 1.50Å | |
| C5 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C28 | F30 | sing | 1.40Å | 1.33Å | |
| C28 | P31 | sing | 1.82Å | 1.86Å | |
| C28 | F29 | sing | 1.40Å | 1.33Å | |
| P31 | O34 | sing | 1.61Å | 1.50Å | |
| P31 | O33 | doub | 1.48Å | 1.50Å | |
| P31 | O32 | sing | 1.61Å | 1.51Å | |
| O34 | H34 | sing | 0.97Å | 0.95Å | |
| O32 | H32 | sing | 0.97Å | 0.95Å | |
| C6 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C1 | H1 | sing | 1.08Å | 1.10Å | |
| C37 | C38 | sing | 1.51Å | 1.53Å | |
| C37 | H371 | sing | 1.09Å | 1.11Å | |
| C37 | H372 | sing | 1.09Å | 1.12Å | |
| C38 | C41 | doub | 1.33Å | 1.34Å | |
| C38 | H38 | sing | 1.08Å | 1.10Å | |
| C41 | C43 | sing | 1.48Å | 1.49Å | |
| C41 | H41 | sing | 1.08Å | 1.10Å | |
| C43 | C49 | sing | 1.39Å | 1.41Å | Aromatic |
| C43 | C45 | doub | 1.40Å | 1.39Å | Aromatic |
| C49 | C48 | doub | 1.38Å | 1.40Å | Aromatic |
| C49 | H49 | sing | 1.08Å | 1.10Å | |
| C48 | C47 | sing | 1.38Å | 1.39Å | Aromatic |
| C48 | H48 | sing | 1.08Å | 1.10Å | |
| C47 | C46 | doub | 1.38Å | 1.40Å | Aromatic |
| C47 | H47 | sing | 1.08Å | 1.10Å | |
| C46 | C45 | sing | 1.38Å | 1.40Å | Aromatic |
| C46 | H46 | sing | 1.08Å | 1.10Å | |
| C45 | H45 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O71 | C65 | O66 | 118.1° | 120.0° |
| O71 | C65 | C58 | 121.8° | 120.0° |
| O66 | C65 | C58 | 120.1° | 120.0° |
| C65 | O66 | C67 | 121.9° | 120.0° |
| C65 | C58 | C57 | 120.8° | 120.2° |
| C65 | C58 | C59 | 119.1° | 120.1° |
| O66 | C67 | H671 | 107.8° | 109.5° |
| O66 | C67 | H672 | 122.0° | 109.5° |
| O66 | C67 | H673 | 107.8° | 109.5° |
| H671 | C67 | H672 | 107.7° | 109.5° |
| H671 | C67 | H673 | 102.1° | 109.4° |
| H672 | C67 | H673 | 107.7° | 109.4° |
| C57 | C58 | C59 | 120.1° | 119.7° |
| C58 | C57 | C56 | 119.8° | 119.8° |
| C58 | C57 | H57 | 120.4° | 120.1° |
| C58 | C59 | C60 | 120.3° | 119.8° |
| C58 | C59 | H59 | 119.7° | 120.1° |
| C56 | C57 | H57 | 119.7° | 120.1° |
| C57 | C56 | C55 | 120.1° | 120.2° |
| C57 | C56 | H56 | 119.7° | 119.9° |
| C55 | C56 | H56 | 120.2° | 119.9° |
| C56 | C55 | C60 | 120.0° | 120.3° |
| C56 | C55 | C11 | 119.6° | 119.8° |
| C60 | C59 | H59 | 120.0° | 120.1° |
| C59 | C60 | C55 | 119.7° | 120.2° |
| C59 | C60 | H60 | 119.9° | 119.9° |
| C55 | C60 | H60 | 120.4° | 119.9° |
| C60 | C55 | C11 | 120.4° | 119.9° |
| C55 | C11 | N12 | 108.2° | 109.5° |
| C55 | C11 | C13 | 108.1° | 109.5° |
| C55 | C11 | C37 | 111.0° | 109.5° |
| N12 | C11 | C13 | 109.7° | 109.5° |
| N12 | C11 | C37 | 105.5° | 109.4° |
| C11 | N12 | N23 | 120.2° | 126.8° |
| C11 | N12 | C19 | 127.3° | 126.7° |
| C13 | C11 | C37 | 114.2° | 109.4° |
| C11 | C13 | C2 | 117.9° | 109.5° |
| C11 | C13 | H131 | 109.2° | 109.5° |
| C11 | C13 | H132 | 109.2° | 109.5° |
| C11 | C37 | C38 | 113.9° | 109.4° |
| C11 | C37 | H371 | 110.6° | 109.5° |
| C11 | C37 | H372 | 110.6° | 109.5° |
| N23 | N12 | C19 | 112.4° | 106.5° |
| N12 | N23 | N22 | 103.9° | 109.5° |
| N12 | C19 | C18 | 105.0° | 106.1° |
| N12 | C19 | C20 | 135.8° | 134.0° |
| N23 | N22 | C18 | 109.7° | 110.3° |
| N22 | C18 | C17 | 130.7° | 133.0° |
| N22 | C18 | C19 | 109.0° | 107.7° |
| C17 | C18 | C19 | 120.2° | 119.3° |
| C18 | C17 | C16 | 120.7° | 119.9° |
| C18 | C17 | H17 | 119.6° | 120.1° |
| C18 | C19 | C20 | 119.2° | 119.9° |
| C16 | C17 | H17 | 119.8° | 120.0° |
| C17 | C16 | C21 | 119.4° | 120.8° |
| C17 | C16 | H16 | 120.1° | 119.6° |
| C19 | C20 | C21 | 120.4° | 119.7° |
| C19 | C20 | H20 | 120.2° | 120.1° |
| C21 | C20 | H20 | 119.4° | 120.1° |
| C20 | C21 | C16 | 120.0° | 120.4° |
| C20 | C21 | H21 | 119.7° | 119.9° |
| C16 | C21 | H21 | 120.2° | 119.8° |
| C21 | C16 | H16 | 120.5° | 119.6° |
| C2 | C13 | H131 | 109.2° | 109.4° |
| C2 | C13 | H132 | 109.2° | 109.5° |
| C13 | C2 | C3 | 120.0° | 120.0° |
| C13 | C2 | C1 | 120.4° | 120.0° |
| H131 | C13 | H132 | 100.9° | 109.5° |
| C3 | C2 | C1 | 119.6° | 120.0° |
| C2 | C3 | C4 | 120.8° | 120.0° |
| C2 | C3 | H3 | 119.8° | 120.0° |
| C2 | C1 | C6 | 119.3° | 120.0° |
| C2 | C1 | H1 | 120.7° | 120.0° |
| C4 | C3 | H3 | 119.3° | 120.0° |
| C3 | C4 | C5 | 119.8° | 120.0° |
| C3 | C4 | H4 | 119.8° | 120.0° |
| C5 | C4 | H4 | 120.5° | 120.0° |
| C4 | C5 | C28 | 119.9° | 120.0° |
| C4 | C5 | C6 | 119.4° | 120.0° |
| C28 | C5 | C6 | 120.7° | 120.0° |
| C5 | C28 | F30 | 104.4° | 109.5° |
| C5 | C28 | P31 | 116.5° | 109.5° |
| C5 | C28 | F29 | 109.4° | 109.5° |
| C5 | C6 | C1 | 121.1° | 120.0° |
| C5 | C6 | H6 | 119.5° | 120.0° |
| F30 | C28 | P31 | 109.5° | 109.5° |
| F30 | C28 | F29 | 109.3° | 109.4° |
| P31 | C28 | F29 | 107.6° | 109.5° |
| C28 | P31 | O34 | 108.2° | 109.5° |
| C28 | P31 | O33 | 103.3° | 109.5° |
| C28 | P31 | O32 | 101.1° | 109.5° |
| O34 | P31 | O33 | 110.5° | 109.5° |
| O34 | P31 | O32 | 116.2° | 109.4° |
| P31 | O34 | H34 | 108.2° | 106.8° |
| O33 | P31 | O32 | 115.9° | 109.5° |
| P31 | O32 | H32 | 101.1° | 106.8° |
| C1 | C6 | H6 | 119.4° | 120.0° |
| C6 | C1 | H1 | 120.0° | 120.0° |
| C38 | C37 | H371 | 110.6° | 109.5° |
| C38 | C37 | H372 | 110.6° | 109.5° |
| C37 | C38 | C41 | 120.6° | 120.0° |
| C37 | C38 | H38 | 126.2° | 120.0° |
| H371 | C37 | H372 | 99.7° | 109.5° |
| C41 | C38 | H38 | 113.2° | 120.0° |
| C38 | C41 | C43 | 122.1° | 119.9° |
| C38 | C41 | H41 | 113.6° | 120.1° |
| C43 | C41 | H41 | 124.3° | 120.0° |
| C41 | C43 | C49 | 121.6° | 120.2° |
| C41 | C43 | C45 | 119.2° | 120.1° |
| C49 | C43 | C45 | 119.3° | 119.7° |
| C43 | C49 | C48 | 120.7° | 119.9° |
| C43 | C49 | H49 | 120.0° | 120.0° |
| C43 | C45 | C46 | 120.2° | 119.8° |
| C43 | C45 | H45 | 119.5° | 120.1° |
| C48 | C49 | H49 | 119.3° | 120.1° |
| C49 | C48 | C47 | 119.5° | 120.1° |
| C49 | C48 | H48 | 120.5° | 119.9° |
| C47 | C48 | H48 | 120.0° | 119.9° |
| C48 | C47 | C46 | 119.9° | 120.3° |
| C48 | C47 | H47 | 119.8° | 119.9° |
| C46 | C47 | H47 | 120.3° | 119.8° |
| C47 | C46 | C45 | 120.4° | 120.1° |
| C47 | C46 | H46 | 119.8° | 120.0° |
| C45 | C46 | H46 | 119.8° | 119.9° |
| C46 | C45 | H45 | 120.3° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O71 | C65 | O66 | C58 | 177.4° | 179.9° |
| O71 | C65 | O66 | C67 | 21.5° | 0.0° |
| O71 | C65 | C58 | C57 | 1.4° | 0.1° |
| O71 | C65 | C58 | C59 | 179.9° | 179.8° |
| C65 | O66 | C67 | H671 | 54.8° | 180.0° |
| C65 | O66 | C67 | H672 | 180.0° | 60.0° |
| C65 | O66 | C67 | H673 | 54.8° | 60.0° |
| O66 | C65 | C58 | C57 | 175.8° | 180.0° |
| O66 | C65 | C58 | C59 | 2.8° | 0.3° |
| C58 | C65 | O66 | C67 | 155.9° | 180.0° |
| C65 | C58 | C57 | C59 | 178.7° | 179.7° |
| C65 | C58 | C57 | C56 | 178.8° | 179.9° |
| C65 | C58 | C57 | H57 | 1.1° | 0.1° |
| C65 | C58 | C59 | C60 | 178.9° | 179.8° |
| C65 | C58 | C59 | H59 | 1.1° | 0.3° |
| O66 | C67 | H671 | H672 | 133.3° | 120.0° |
| O66 | C67 | H671 | H673 | 113.4° | 120.0° |
| O66 | C67 | H672 | H673 | 125.3° | 120.0° |
| H671 | C67 | H672 | H673 | 109.5° | 119.9° |
| C58 | C57 | C56 | H57 | 180.0° | 180.0° |
| C58 | C57 | C56 | C55 | 0.2° | 0.0° |
| C58 | C57 | C56 | H56 | 179.9° | 180.0° |
| C57 | C58 | C59 | C60 | 0.3° | 0.5° |
| C57 | C58 | C59 | H59 | 179.7° | 180.0° |
| C59 | C58 | C57 | C56 | 0.2° | 0.2° |
| C59 | C58 | C57 | H57 | 179.8° | 179.8° |
| C58 | C59 | C60 | H59 | 180.0° | 179.5° |
| C58 | C59 | C60 | C55 | 0.3° | 0.5° |
| C58 | C59 | C60 | H60 | 179.7° | 179.7° |
| C57 | C56 | C55 | H56 | 180.0° | 179.9° |
| C57 | C56 | C55 | C60 | 0.2° | 0.0° |
| C57 | C56 | C55 | C11 | 178.6° | 179.9° |
| H57 | C57 | C56 | C55 | 179.8° | 179.9° |
| H57 | C57 | C56 | H56 | 0.2° | 0.0° |
| C56 | C55 | C60 | C59 | 0.3° | 0.3° |
| C56 | C55 | C60 | C11 | 178.9° | 180.0° |
| C56 | C55 | C60 | H60 | 179.7° | 180.0° |
| C56 | C55 | C11 | N12 | 52.0° | 63.6° |
| C56 | C55 | C11 | C13 | 66.7° | 176.3° |
| C56 | C55 | C11 | C37 | 167.4° | 56.3° |
| H56 | C56 | C55 | C60 | 179.8° | 180.0° |
| H56 | C56 | C55 | C11 | 1.3° | 0.0° |
| C59 | C60 | C55 | H60 | 180.0° | 179.8° |
| C59 | C60 | C55 | C11 | 178.6° | 179.8° |
| H59 | C59 | C60 | C55 | 179.7° | 180.0° |
| H59 | C59 | C60 | H60 | 0.3° | 0.2° |
| C60 | C55 | C11 | N12 | 126.8° | 116.3° |
| C60 | C55 | C11 | C13 | 114.4° | 3.7° |
| C60 | C55 | C11 | C37 | 11.5° | 123.7° |
| H60 | C60 | C55 | C11 | 1.5° | 0.0° |
| C55 | C11 | N12 | C13 | 117.7° | 120.0° |
| C55 | C11 | N12 | C37 | 118.8° | 120.0° |
| C55 | C11 | C13 | C37 | 124.0° | 120.0° |
| C55 | C11 | N12 | N23 | 143.1° | 120.3° |
| C55 | C11 | N12 | C19 | 39.3° | 60.1° |
| C55 | C11 | C13 | C2 | 68.2° | 176.7° |
| C55 | C11 | C13 | H131 | 166.5° | 63.3° |
| C55 | C11 | C13 | H132 | 57.1° | 56.8° |
| C55 | C11 | C37 | C38 | 173.8° | 53.8° |
| C55 | C11 | C37 | H371 | 60.9° | 173.8° |
| C55 | C11 | C37 | H372 | 48.6° | 66.2° |
| N12 | C11 | C13 | C37 | 118.2° | 120.0° |
| C11 | N12 | N23 | C19 | 178.0° | 179.7° |
| C11 | N12 | N23 | N22 | 179.2° | 180.0° |
| C11 | N12 | C19 | C18 | 178.5° | 179.9° |
| C11 | N12 | C19 | C20 | 1.9° | 0.8° |
| N12 | C11 | C13 | C2 | 174.0° | 56.7° |
| N12 | C11 | C13 | H131 | 48.8° | 176.6° |
| N12 | C11 | C13 | H132 | 60.7° | 63.3° |
| N12 | C11 | C37 | C38 | 56.9° | 173.8° |
| N12 | C11 | C37 | H371 | 177.9° | 66.2° |
| N12 | C11 | C37 | H372 | 68.4° | 53.8° |
| C13 | C11 | N12 | N23 | 25.4° | 119.7° |
| C13 | C11 | N12 | C19 | 157.0° | 59.9° |
| C11 | C13 | C2 | H131 | 125.3° | 120.0° |
| C11 | C13 | C2 | H132 | 125.3° | 120.0° |
| C11 | C13 | H131 | H132 | 114.9° | 120.0° |
| C11 | C13 | C2 | C3 | 88.0° | 95.0° |
| C11 | C13 | C2 | C1 | 94.5° | 85.3° |
| C13 | C11 | C37 | C38 | 63.7° | 66.2° |
| C13 | C11 | C37 | H371 | 61.6° | 53.8° |
| C13 | C11 | C37 | H372 | 171.0° | 173.8° |
| C37 | C11 | N12 | N23 | 98.1° | 0.3° |
| C37 | C11 | N12 | C19 | 79.6° | 179.9° |
| C37 | C11 | C13 | C2 | 55.8° | 63.3° |
| C37 | C11 | C13 | H131 | 69.4° | 56.7° |
| C37 | C11 | C13 | H132 | 178.9° | 176.7° |
| C11 | C37 | C38 | H371 | 125.2° | 120.0° |
| C11 | C37 | C38 | H372 | 125.3° | 120.0° |
| C11 | C37 | H371 | H372 | 116.4° | 120.0° |
| C11 | C37 | C38 | C41 | 133.9° | 121.7° |
| C11 | C37 | C38 | H38 | 46.1° | 58.3° |
| N12 | N23 | N22 | C18 | 1.2° | 0.1° |
| N23 | N12 | C19 | C18 | 0.7° | 0.4° |
| N23 | N12 | C19 | C20 | 179.7° | 179.6° |
| C19 | N12 | N23 | N22 | 1.2° | 0.3° |
| N12 | C19 | C18 | N22 | 0.1° | 0.4° |
| N12 | C19 | C18 | C17 | 179.5° | 179.8° |
| N12 | C19 | C18 | C20 | 179.7° | 179.3° |
| N12 | C19 | C20 | C21 | 179.1° | 179.6° |
| N12 | C19 | C20 | H20 | 0.9° | 0.7° |
| N23 | N22 | C18 | C17 | 179.8° | 180.0° |
| N23 | N22 | C18 | C19 | 0.9° | 0.2° |
| N22 | C18 | C17 | C19 | 179.3° | 179.8° |
| N22 | C18 | C17 | C16 | 179.0° | 180.0° |
| N22 | C18 | C17 | H17 | 1.0° | 0.1° |
| N22 | C18 | C19 | C20 | 179.5° | 179.7° |
| C18 | C17 | C16 | H17 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 0.1° | 0.5° |
| C18 | C17 | C16 | C21 | 0.4° | 0.1° |
| C18 | C17 | C16 | H16 | 179.6° | 180.0° |
| C19 | C18 | C17 | C16 | 0.3° | 0.2° |
| C19 | C18 | C17 | H17 | 179.8° | 179.7° |
| C18 | C19 | C20 | C21 | 0.4° | 0.5° |
| C18 | C19 | C20 | H20 | 179.6° | 179.7° |
| C17 | C16 | C21 | C20 | 0.1° | 0.0° |
| C17 | C16 | C21 | H16 | 180.0° | 179.9° |
| C17 | C16 | C21 | H21 | 179.9° | 179.9° |
| H17 | C17 | C16 | C21 | 179.7° | 180.0° |
| H17 | C17 | C16 | H16 | 0.4° | 0.1° |
| C19 | C20 | C21 | H20 | 180.0° | 179.7° |
| C19 | C20 | C21 | C16 | 0.3° | 0.3° |
| C19 | C20 | C21 | H21 | 179.7° | 179.8° |
| C20 | C21 | C16 | H21 | 180.0° | 180.0° |
| C20 | C21 | C16 | H16 | 179.9° | 179.9° |
| H20 | C20 | C21 | C16 | 179.7° | 180.0° |
| H20 | C20 | C21 | H21 | 0.3° | 0.0° |
| H21 | C21 | C16 | H16 | 0.1° | 0.0° |
| C2 | C13 | H131 | H132 | 114.9° | 120.0° |
| C13 | C2 | C3 | C1 | 177.5° | 179.7° |
| C13 | C2 | C3 | C4 | 178.7° | 180.0° |
| C13 | C2 | C3 | H3 | 1.3° | 0.1° |
| C13 | C2 | C1 | C6 | 178.9° | 179.8° |
| C13 | C2 | C1 | H1 | 1.1° | 0.2° |
| H131 | C13 | C2 | C3 | 37.2° | 25.0° |
| H131 | C13 | C2 | C1 | 140.3° | 154.7° |
| H132 | C13 | C2 | C3 | 146.7° | 145.0° |
| H132 | C13 | C2 | C1 | 30.8° | 34.7° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 1.5° | 0.1° |
| C2 | C3 | C4 | H4 | 178.5° | 179.9° |
| C3 | C2 | C1 | C6 | 1.4° | 0.5° |
| C3 | C2 | C1 | H1 | 178.6° | 179.9° |
| C1 | C2 | C3 | C4 | 1.2° | 0.3° |
| C1 | C2 | C3 | H3 | 178.8° | 179.8° |
| C2 | C1 | C6 | C5 | 1.9° | 0.4° |
| C2 | C1 | C6 | H1 | 180.0° | 179.6° |
| C2 | C1 | C6 | H6 | 178.1° | 179.7° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C28 | 179.0° | 180.0° |
| C3 | C4 | C5 | C6 | 2.0° | 0.0° |
| H3 | C3 | C4 | C5 | 178.5° | 180.0° |
| H3 | C3 | C4 | H4 | 1.5° | 0.1° |
| C4 | C5 | C28 | C6 | 177.0° | 180.0° |
| C4 | C5 | C28 | F30 | 35.5° | 145.0° |
| C4 | C5 | C28 | P31 | 85.3° | 95.0° |
| C4 | C5 | C28 | F29 | 152.3° | 25.1° |
| C4 | C5 | C6 | C1 | 2.2° | 0.2° |
| C4 | C5 | C6 | H6 | 177.8° | 179.9° |
| H4 | C4 | C5 | C28 | 0.9° | 0.0° |
| H4 | C4 | C5 | C6 | 178.0° | 180.0° |
| C5 | C28 | F30 | P31 | 125.4° | 120.0° |
| C5 | C28 | F30 | F29 | 116.9° | 120.0° |
| C5 | C28 | P31 | F29 | 123.2° | 120.0° |
| C5 | C28 | P31 | O34 | 67.1° | 55.2° |
| C5 | C28 | P31 | O33 | 50.1° | 175.2° |
| C5 | C28 | P31 | O32 | 170.4° | 64.8° |
| C28 | C5 | C6 | C1 | 179.2° | 179.8° |
| C28 | C5 | C6 | H6 | 0.8° | 0.1° |
| C6 | C5 | C28 | F30 | 141.5° | 35.0° |
| C6 | C5 | C28 | P31 | 97.6° | 85.0° |
| C6 | C5 | C28 | F29 | 24.7° | 154.9° |
| C5 | C6 | C1 | H6 | 180.0° | 179.9° |
| C5 | C6 | C1 | H1 | 178.1° | 180.0° |
| F30 | C28 | P31 | F29 | 118.7° | 120.0° |
| F30 | C28 | P31 | O34 | 174.8° | 175.2° |
| F30 | C28 | P31 | O33 | 68.0° | 64.8° |
| F30 | C28 | P31 | O32 | 52.3° | 55.2° |
| C28 | P31 | O34 | O33 | 112.4° | 120.0° |
| C28 | P31 | O34 | O32 | 112.8° | 120.0° |
| C28 | P31 | O33 | O32 | 109.5° | 120.0° |
| C28 | P31 | O34 | H34 | 180.0° | 59.9° |
| C28 | P31 | O32 | H32 | 180.0° | 180.0° |
| F29 | C28 | P31 | O34 | 56.1° | 64.8° |
| F29 | C28 | P31 | O33 | 173.4° | 55.2° |
| F29 | C28 | P31 | O32 | 66.4° | 175.2° |
| O34 | P31 | O33 | O32 | 134.9° | 120.0° |
| O34 | P31 | O32 | H32 | 63.1° | 60.0° |
| O33 | P31 | O34 | H34 | 67.6° | 180.0° |
| O33 | P31 | O32 | H32 | 69.2° | 60.0° |
| O32 | P31 | O34 | H34 | 67.2° | 60.0° |
| H6 | C6 | C1 | H1 | 1.9° | 0.1° |
| C38 | C37 | H371 | H372 | 116.4° | 120.0° |
| C37 | C38 | C41 | H38 | 180.0° | 180.0° |
| C37 | C38 | C41 | C43 | 179.0° | 174.3° |
| C37 | C38 | C41 | H41 | 1.0° | 5.7° |
| H371 | C37 | C38 | C41 | 8.7° | 1.8° |
| H371 | C37 | C38 | H38 | 171.3° | 178.3° |
| H372 | C37 | C38 | C41 | 100.8° | 118.3° |
| H372 | C37 | C38 | H38 | 79.2° | 61.7° |
| C38 | C41 | C43 | H41 | 180.0° | 180.0° |
| C38 | C41 | C43 | C49 | 17.8° | 0.3° |
| C38 | C41 | C43 | C45 | 161.6° | 180.0° |
| H38 | C38 | C41 | C43 | 1.0° | 5.7° |
| H38 | C38 | C41 | H41 | 179.0° | 174.3° |
| C41 | C43 | C49 | C45 | 179.4° | 179.7° |
| C41 | C43 | C49 | C48 | 179.7° | 179.7° |
| C41 | C43 | C49 | H49 | 0.3° | 0.3° |
| C41 | C43 | C45 | C46 | 179.5° | 180.0° |
| C41 | C43 | C45 | H45 | 0.5° | 0.0° |
| H41 | C41 | C43 | C49 | 162.2° | 179.7° |
| H41 | C41 | C43 | C45 | 18.4° | 0.0° |
| C43 | C49 | C48 | H49 | 180.0° | 179.4° |
| C43 | C49 | C48 | C47 | 0.0° | 0.6° |
| C43 | C49 | C48 | H48 | 180.0° | 179.7° |
| C49 | C43 | C45 | C46 | 1.1° | 0.3° |
| C49 | C43 | C45 | H45 | 178.9° | 179.7° |
| C45 | C43 | C49 | C48 | 0.3° | 0.6° |
| C45 | C43 | C49 | H49 | 179.7° | 180.0° |
| C43 | C45 | C46 | C47 | 1.5° | 0.0° |
| C43 | C45 | C46 | H45 | 180.0° | 180.0° |
| C43 | C45 | C46 | H46 | 178.5° | 180.0° |
| C49 | C48 | C47 | H48 | 180.0° | 179.8° |
| C49 | C48 | C47 | C46 | 0.4° | 0.3° |
| C49 | C48 | C47 | H47 | 179.6° | 179.7° |
| H49 | C49 | C48 | C47 | 180.0° | 180.0° |
| H49 | C49 | C48 | H48 | 0.0° | 0.3° |
| C48 | C47 | C46 | H47 | 180.0° | 180.0° |
| C48 | C47 | C46 | C45 | 1.1° | 0.0° |
| C48 | C47 | C46 | H46 | 178.8° | 180.0° |
| H48 | C48 | C47 | C46 | 179.6° | 180.0° |
| H48 | C48 | C47 | H47 | 0.4° | 0.0° |
| C47 | C46 | C45 | H46 | 180.0° | 179.9° |
| C47 | C46 | C45 | H45 | 178.5° | 179.9° |
| H47 | C47 | C46 | C45 | 178.8° | 180.0° |
| H47 | C47 | C46 | H46 | 1.2° | 0.0° |
| H46 | C46 | C45 | H45 | 1.5° | 0.0° |
