U4X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C59 | C58 | doub | 1.36Å | 1.41Å | Aromatic |
| C59 | C60 | sing | 1.39Å | 1.41Å | Aromatic |
| O3 | C3 | sing | 1.43Å | 1.42Å | |
| C26 | C25 | sing | 1.53Å | 1.51Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C2 | N1 | sing | 1.47Å | 1.48Å | |
| C58 | C43 | sing | 1.40Å | 1.41Å | Aromatic |
| C12 | N1 | sing | 1.47Å | 1.49Å | |
| C12 | C25 | sing | 1.53Å | 1.54Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C60 | C61 | doub | 1.37Å | 1.40Å | Aromatic |
| C28 | C27 | sing | 1.53Å | 1.50Å | |
| C28 | O29 | sing | 1.43Å | 1.45Å | |
| N1 | C6 | sing | 1.47Å | 1.47Å | |
| C30 | O29 | sing | 1.43Å | 1.43Å | |
| C30 | C42 | sing | 1.51Å | 1.52Å | |
| C43 | C42 | sing | 1.41Å | 1.52Å | Aromatic |
| C43 | C44 | doub | 1.41Å | 1.50Å | Aromatic |
| C61 | C44 | sing | 1.40Å | 1.42Å | Aromatic |
| C4 | O4 | sing | 1.43Å | 1.43Å | |
| C4 | C5 | sing | 1.53Å | 1.49Å | |
| C42 | C41 | doub | 1.35Å | 1.42Å | Aromatic |
| O7 | C7 | sing | 1.43Å | 1.42Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C6 | C7 | sing | 1.53Å | 1.50Å | |
| C44 | C45 | sing | 1.47Å | 1.52Å | Aromatic |
| C5 | O5 | sing | 1.43Å | 1.39Å | |
| C41 | C46 | sing | 1.41Å | 1.40Å | Aromatic |
| C45 | C46 | doub | 1.41Å | 1.51Å | Aromatic |
| C45 | C55 | sing | 1.40Å | 1.41Å | Aromatic |
| C46 | C52 | sing | 1.40Å | 1.38Å | Aromatic |
| C55 | C54 | doub | 1.37Å | 1.40Å | Aromatic |
| C52 | C53 | doub | 1.36Å | 1.40Å | Aromatic |
| C54 | C53 | sing | 1.39Å | 1.40Å | Aromatic |
| C3 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C26 | H4 | sing | 1.09Å | 1.10Å | |
| C26 | H5 | sing | 1.09Å | 1.10Å | |
| C27 | H6 | sing | 1.09Å | 1.10Å | |
| C27 | H7 | sing | 1.09Å | 1.10Å | |
| C28 | H8 | sing | 1.09Å | 1.10Å | |
| C28 | H9 | sing | 1.09Å | 1.10Å | |
| C30 | H11 | sing | 1.09Å | 1.10Å | |
| C30 | H12 | sing | 1.09Å | 1.10Å | |
| C25 | H13 | sing | 1.09Å | 1.10Å | |
| C25 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C4 | H17 | sing | 1.09Å | 1.10Å | |
| C5 | H18 | sing | 1.09Å | 1.10Å | |
| C6 | H19 | sing | 1.09Å | 1.10Å | |
| C7 | H20 | sing | 1.09Å | 1.10Å | |
| C7 | H21 | sing | 1.09Å | 1.10Å | |
| O3 | H22 | sing | 0.97Å | 0.95Å | |
| O4 | H23 | sing | 0.97Å | 0.95Å | |
| O5 | H24 | sing | 0.97Å | 0.95Å | |
| O7 | H25 | sing | 0.97Å | 0.95Å | |
| C41 | H26 | sing | 1.08Å | 1.08Å | |
| C58 | H27 | sing | 1.08Å | 1.08Å | |
| C59 | H28 | sing | 1.08Å | 1.08Å | |
| C60 | H29 | sing | 1.08Å | 1.08Å | |
| C61 | H30 | sing | 1.08Å | 1.08Å | |
| C55 | H31 | sing | 1.08Å | 1.08Å | |
| C54 | H32 | sing | 1.08Å | 1.08Å | |
| C53 | H33 | sing | 1.08Å | 1.08Å | |
| C52 | H34 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C58 | C59 | C60 | 121.5° | 120.9° |
| C59 | C58 | C43 | 120.6° | 119.7° |
| C59 | C58 | H27 | 119.7° | 120.1° |
| C58 | C59 | H28 | 119.2° | 119.5° |
| C59 | C60 | C61 | 120.1° | 120.8° |
| C60 | C59 | H28 | 119.3° | 119.5° |
| C59 | C60 | H29 | 120.0° | 119.7° |
| O3 | C3 | C2 | 111.0° | 109.6° |
| O3 | C3 | C4 | 111.0° | 109.5° |
| O3 | C3 | H1 | 109.6° | 109.5° |
| C3 | O3 | H22 | 109.5° | 114.0° |
| C25 | C26 | C27 | 106.3° | 109.5° |
| C26 | C25 | C12 | 112.5° | 109.5° |
| C25 | C26 | H4 | 110.3° | 109.5° |
| C25 | C26 | H5 | 110.2° | 109.5° |
| C26 | C25 | H13 | 108.7° | 109.5° |
| C26 | C25 | H14 | 108.7° | 109.5° |
| C26 | C27 | C28 | 113.0° | 109.4° |
| C27 | C26 | H4 | 110.2° | 109.5° |
| C27 | C26 | H5 | 110.2° | 109.5° |
| C26 | C27 | H6 | 108.6° | 109.5° |
| C26 | C27 | H7 | 108.6° | 109.5° |
| C3 | C2 | N1 | 107.7° | 109.6° |
| C2 | C3 | C4 | 108.5° | 109.3° |
| C2 | C3 | H1 | 108.3° | 109.5° |
| C3 | C2 | H2 | 109.9° | 109.4° |
| C3 | C2 | H3 | 109.9° | 109.4° |
| C2 | N1 | C12 | 109.7° | 111.0° |
| C2 | N1 | C6 | 112.6° | 111.2° |
| N1 | C2 | H2 | 110.0° | 109.5° |
| N1 | C2 | H3 | 109.9° | 109.5° |
| C58 | C43 | C42 | 124.1° | 121.0° |
| C58 | C43 | C44 | 117.8° | 119.2° |
| C43 | C58 | H27 | 119.7° | 120.1° |
| N1 | C12 | C25 | 113.2° | 109.5° |
| C12 | N1 | C6 | 113.4° | 111.0° |
| N1 | C12 | H15 | 108.5° | 109.5° |
| N1 | C12 | H16 | 108.5° | 109.5° |
| C12 | C25 | H13 | 108.7° | 109.5° |
| C12 | C25 | H14 | 108.7° | 109.5° |
| C25 | C12 | H15 | 108.5° | 109.4° |
| C25 | C12 | H16 | 108.5° | 109.4° |
| C3 | C4 | O4 | 112.1° | 109.5° |
| C3 | C4 | C5 | 110.1° | 109.1° |
| C4 | C3 | H1 | 108.3° | 109.5° |
| C3 | C4 | H17 | 108.6° | 109.5° |
| C60 | C61 | C44 | 120.8° | 119.7° |
| C61 | C60 | H29 | 120.0° | 119.6° |
| C60 | C61 | H30 | 119.6° | 120.1° |
| C27 | C28 | O29 | 103.9° | 109.4° |
| C28 | C27 | H6 | 108.6° | 109.5° |
| C28 | C27 | H7 | 108.6° | 109.5° |
| C27 | C28 | H8 | 110.8° | 109.5° |
| C27 | C28 | H9 | 110.8° | 109.5° |
| C28 | O29 | C30 | 112.9° | 114.0° |
| O29 | C28 | H8 | 110.8° | 109.4° |
| O29 | C28 | H9 | 110.8° | 109.5° |
| N1 | C6 | C5 | 108.1° | 109.5° |
| N1 | C6 | C7 | 110.8° | 109.5° |
| N1 | C6 | H19 | 109.2° | 109.5° |
| O29 | C30 | C42 | 107.9° | 109.4° |
| O29 | C30 | H11 | 109.9° | 109.5° |
| O29 | C30 | H12 | 109.9° | 109.5° |
| C30 | C42 | C43 | 120.0° | 119.2° |
| C30 | C42 | C41 | 117.3° | 119.3° |
| C42 | C30 | H11 | 109.9° | 109.5° |
| C42 | C30 | H12 | 109.9° | 109.5° |
| C42 | C43 | C44 | 118.2° | 119.8° |
| C43 | C42 | C41 | 122.7° | 121.5° |
| C43 | C44 | C61 | 119.3° | 119.7° |
| C43 | C44 | C45 | 117.1° | 118.7° |
| C61 | C44 | C45 | 123.6° | 121.5° |
| C44 | C61 | H30 | 119.6° | 120.2° |
| O4 | C4 | C5 | 107.3° | 109.5° |
| O4 | C4 | H17 | 109.8° | 109.6° |
| C4 | O4 | H23 | 109.5° | 113.9° |
| C4 | C5 | C6 | 109.8° | 109.3° |
| C4 | C5 | O5 | 109.5° | 109.5° |
| C5 | C4 | H17 | 108.9° | 109.6° |
| C4 | C5 | H18 | 109.0° | 109.5° |
| C42 | C41 | C46 | 120.9° | 121.5° |
| C42 | C41 | H26 | 119.5° | 119.3° |
| O7 | C7 | C6 | 113.7° | 109.5° |
| O7 | C7 | H20 | 108.4° | 109.5° |
| O7 | C7 | H21 | 108.4° | 109.5° |
| C7 | O7 | H25 | 109.5° | 114.0° |
| C5 | C6 | C7 | 111.4° | 109.5° |
| C6 | C5 | O5 | 109.5° | 109.5° |
| C6 | C5 | H18 | 108.6° | 109.6° |
| C5 | C6 | H19 | 108.4° | 109.4° |
| C7 | C6 | H19 | 108.8° | 109.4° |
| C6 | C7 | H20 | 108.4° | 109.4° |
| C6 | C7 | H21 | 108.4° | 109.5° |
| C44 | C45 | C46 | 120.4° | 118.7° |
| C44 | C45 | C55 | 121.6° | 121.5° |
| O5 | C5 | H18 | 110.5° | 109.5° |
| C5 | O5 | H24 | 109.5° | 114.0° |
| C41 | C46 | C45 | 120.7° | 119.8° |
| C41 | C46 | C52 | 120.6° | 121.0° |
| C46 | C41 | H26 | 119.5° | 119.3° |
| C46 | C45 | C55 | 118.0° | 119.7° |
| C45 | C46 | C52 | 118.8° | 119.1° |
| C45 | C55 | C54 | 120.5° | 119.7° |
| C45 | C55 | H31 | 119.8° | 120.2° |
| C46 | C52 | C53 | 120.7° | 119.8° |
| C46 | C52 | H34 | 119.6° | 120.1° |
| C55 | C54 | C53 | 120.6° | 120.7° |
| C54 | C55 | H31 | 119.7° | 120.1° |
| C55 | C54 | H32 | 119.7° | 119.7° |
| C52 | C53 | C54 | 121.4° | 120.9° |
| C52 | C53 | H33 | 119.3° | 119.6° |
| C53 | C52 | H34 | 119.6° | 120.1° |
| C53 | C54 | H32 | 119.7° | 119.6° |
| C54 | C53 | H33 | 119.3° | 119.5° |
| H2 | C2 | H3 | 109.4° | 109.5° |
| H4 | C26 | H5 | 109.5° | 109.4° |
| H6 | C27 | H7 | 109.5° | 109.5° |
| H8 | C28 | H9 | 109.5° | 109.5° |
| H11 | C30 | H12 | 109.5° | 109.5° |
| H13 | C25 | H14 | 109.5° | 109.4° |
| H15 | C12 | H16 | 109.5° | 109.5° |
| H20 | C7 | H21 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C58 | C59 | C60 | H28 | 180.0° | 180.0° |
| C59 | C58 | C43 | H27 | 180.0° | 180.0° |
| C58 | C59 | C60 | C61 | 0.5° | 0.0° |
| C59 | C58 | C43 | C42 | 179.4° | 180.0° |
| C59 | C58 | C43 | C44 | 0.0° | 0.0° |
| C58 | C59 | C60 | H29 | 179.5° | 180.0° |
| C60 | C59 | C58 | C43 | 0.4° | 0.0° |
| C59 | C60 | C61 | H29 | 180.0° | 180.0° |
| C59 | C60 | C61 | C44 | 0.2° | 0.0° |
| C60 | C59 | C58 | H27 | 179.6° | 180.0° |
| C59 | C60 | C61 | H30 | 179.8° | 180.0° |
| O3 | C3 | C2 | C4 | 122.3° | 120.0° |
| O3 | C3 | C2 | H1 | 120.4° | 120.1° |
| O3 | C3 | C2 | N1 | 177.2° | 179.1° |
| O3 | C3 | C4 | H1 | 120.4° | 120.1° |
| O3 | C3 | C4 | O4 | 57.7° | 62.5° |
| O3 | C3 | C4 | C5 | 177.1° | 177.7° |
| O3 | C3 | C2 | H2 | 57.4° | 60.8° |
| O3 | C3 | C2 | H3 | 63.1° | 59.1° |
| O3 | C3 | C4 | H17 | 63.8° | 57.7° |
| C25 | C26 | C27 | H4 | 119.5° | 120.0° |
| C25 | C26 | C27 | H5 | 119.5° | 120.0° |
| C26 | C25 | C12 | N1 | 165.1° | 180.0° |
| C26 | C25 | C12 | H13 | 120.5° | 120.0° |
| C26 | C25 | C12 | H14 | 120.5° | 120.0° |
| C25 | C26 | C27 | C28 | 153.7° | 180.0° |
| C25 | C26 | H4 | H5 | 121.5° | 120.0° |
| C25 | C26 | C27 | H6 | 85.8° | 60.0° |
| C25 | C26 | C27 | H7 | 33.1° | 60.0° |
| C26 | C25 | H13 | H14 | 118.6° | 120.0° |
| C26 | C25 | C12 | H15 | 74.4° | 60.0° |
| C26 | C25 | C12 | H16 | 44.5° | 59.9° |
| C27 | C26 | C25 | C12 | 176.2° | 180.0° |
| C26 | C27 | C28 | H6 | 120.5° | 120.0° |
| C26 | C27 | C28 | H7 | 120.5° | 120.0° |
| C26 | C27 | C28 | O29 | 166.8° | 180.0° |
| C27 | C26 | H4 | H5 | 121.4° | 120.0° |
| C26 | C27 | H6 | H7 | 118.4° | 120.0° |
| C26 | C27 | C28 | H8 | 74.1° | 60.0° |
| C26 | C27 | C28 | H9 | 47.7° | 60.0° |
| C27 | C26 | C25 | H13 | 55.7° | 60.0° |
| C27 | C26 | C25 | H14 | 63.4° | 60.0° |
| C3 | C2 | N1 | H2 | 119.7° | 120.0° |
| C3 | C2 | N1 | H3 | 119.7° | 120.0° |
| C3 | C2 | N1 | C12 | 170.0° | 174.1° |
| C2 | C3 | C4 | H1 | 117.4° | 119.9° |
| C3 | C2 | N1 | C6 | 62.7° | 61.7° |
| C2 | C3 | C4 | O4 | 179.9° | 177.5° |
| C2 | C3 | C4 | C5 | 60.6° | 57.6° |
| C3 | C2 | H2 | H3 | 120.8° | 119.9° |
| C2 | C3 | C4 | H17 | 58.5° | 62.3° |
| C2 | C3 | O3 | H22 | 180.0° | 60.2° |
| C2 | N1 | C12 | C6 | 126.9° | 124.3° |
| C2 | N1 | C12 | C25 | 68.7° | 64.8° |
| N1 | C2 | C3 | C4 | 60.6° | 59.2° |
| C2 | N1 | C6 | C5 | 60.3° | 61.7° |
| C2 | N1 | C6 | C7 | 177.4° | 178.3° |
| N1 | C2 | C3 | H1 | 56.8° | 60.7° |
| N1 | C2 | H2 | H3 | 120.9° | 120.0° |
| C2 | N1 | C12 | H15 | 170.8° | 55.2° |
| C2 | N1 | C12 | H16 | 51.9° | 175.2° |
| C2 | N1 | C6 | H19 | 57.5° | 58.3° |
| C58 | C43 | C42 | C30 | 1.7° | 0.0° |
| C58 | C43 | C42 | C44 | 179.4° | 180.0° |
| C58 | C43 | C44 | C61 | 0.3° | 0.1° |
| C58 | C43 | C42 | C41 | 179.2° | 179.8° |
| C58 | C43 | C44 | C45 | 178.7° | 180.0° |
| C43 | C58 | C59 | H28 | 179.6° | 180.0° |
| N1 | C12 | C25 | H15 | 120.5° | 120.0° |
| N1 | C12 | C25 | H16 | 120.5° | 120.1° |
| C12 | N1 | C6 | C5 | 174.4° | 174.1° |
| C12 | N1 | C6 | C7 | 52.1° | 54.1° |
| C12 | N1 | C2 | H2 | 50.2° | 54.1° |
| C12 | N1 | C2 | H3 | 70.3° | 65.9° |
| N1 | C12 | C25 | H13 | 74.4° | 59.9° |
| N1 | C12 | C25 | H14 | 44.6° | 60.0° |
| N1 | C12 | H15 | H16 | 118.3° | 120.1° |
| C12 | N1 | C6 | H19 | 67.8° | 65.9° |
| C25 | C12 | N1 | C6 | 58.2° | 170.9° |
| C12 | C25 | C26 | H4 | 56.7° | 60.0° |
| C12 | C25 | C26 | H5 | 64.3° | 60.0° |
| C12 | C25 | H13 | H14 | 118.6° | 120.0° |
| C25 | C12 | H15 | H16 | 118.3° | 119.9° |
| C3 | C4 | O4 | C5 | 121.0° | 119.6° |
| C3 | C4 | O4 | H17 | 120.8° | 120.2° |
| C3 | C4 | C5 | H17 | 118.9° | 119.9° |
| C3 | C4 | C5 | C6 | 58.7° | 57.7° |
| C3 | C4 | C5 | O5 | 179.0° | 177.6° |
| C4 | C3 | C2 | H2 | 179.7° | 179.2° |
| C4 | C3 | C2 | H3 | 59.2° | 60.9° |
| C3 | C4 | C5 | H18 | 60.1° | 62.4° |
| C4 | C3 | O3 | H22 | 59.2° | 180.0° |
| C3 | C4 | O4 | H23 | 180.0° | 60.0° |
| C60 | C61 | C44 | C43 | 0.2° | 0.1° |
| C60 | C61 | C44 | H30 | 180.0° | 180.0° |
| C60 | C61 | C44 | C45 | 178.7° | 180.0° |
| C61 | C60 | C59 | H28 | 179.5° | 180.0° |
| C27 | C28 | O29 | H8 | 119.1° | 119.9° |
| C27 | C28 | O29 | H9 | 119.1° | 120.0° |
| C27 | C28 | O29 | C30 | 177.6° | 180.0° |
| C28 | C27 | C26 | H4 | 34.1° | 60.0° |
| C28 | C27 | C26 | H5 | 86.8° | 60.0° |
| C28 | C27 | H6 | H7 | 118.4° | 120.0° |
| C27 | C28 | H8 | H9 | 122.6° | 120.0° |
| C28 | O29 | C30 | C42 | 62.7° | 180.0° |
| O29 | C28 | C27 | H6 | 46.3° | 60.1° |
| O29 | C28 | C27 | H7 | 72.6° | 60.0° |
| O29 | C28 | H8 | H9 | 122.6° | 120.1° |
| C28 | O29 | C30 | H11 | 57.0° | 60.1° |
| C28 | O29 | C30 | H12 | 177.5° | 60.0° |
| N1 | C6 | C5 | C4 | 57.1° | 59.2° |
| N1 | C6 | C7 | O7 | 56.8° | 63.3° |
| N1 | C6 | C5 | C7 | 121.9° | 120.0° |
| N1 | C6 | C5 | H19 | 118.3° | 120.0° |
| N1 | C6 | C7 | H19 | 120.1° | 120.0° |
| N1 | C6 | C5 | O5 | 177.3° | 179.1° |
| C6 | N1 | C2 | H2 | 177.6° | 178.3° |
| C6 | N1 | C2 | H3 | 57.0° | 58.3° |
| C6 | N1 | C12 | H15 | 62.3° | 69.1° |
| C6 | N1 | C12 | H16 | 178.7° | 50.9° |
| N1 | C6 | C5 | H18 | 62.0° | 60.8° |
| N1 | C6 | C7 | H20 | 177.4° | 56.7° |
| N1 | C6 | C7 | H21 | 63.8° | 176.7° |
| O29 | C30 | C42 | H11 | 119.7° | 120.0° |
| O29 | C30 | C42 | H12 | 119.8° | 120.0° |
| O29 | C30 | C42 | C43 | 128.5° | 179.8° |
| O29 | C30 | C42 | C41 | 50.7° | 0.1° |
| C30 | O29 | C28 | H8 | 58.5° | 60.1° |
| C30 | O29 | C28 | H9 | 63.3° | 60.0° |
| O29 | C30 | H11 | H12 | 120.8° | 120.0° |
| C30 | C42 | C43 | C41 | 179.1° | 179.8° |
| C30 | C42 | C43 | C44 | 178.9° | 180.0° |
| C30 | C42 | C41 | C46 | 179.3° | 180.0° |
| C42 | C30 | H11 | H12 | 120.7° | 120.0° |
| C30 | C42 | C41 | H26 | 0.8° | 0.1° |
| C42 | C43 | C44 | C61 | 179.7° | 179.9° |
| C42 | C43 | C44 | C45 | 0.7° | 0.0° |
| C43 | C42 | C41 | C46 | 0.1° | 0.2° |
| C43 | C42 | C30 | H11 | 8.7° | 59.8° |
| C43 | C42 | C30 | H12 | 111.8° | 60.3° |
| C43 | C42 | C41 | H26 | 179.9° | 179.7° |
| C42 | C43 | C58 | H27 | 0.7° | 0.0° |
| C43 | C44 | C61 | C45 | 178.9° | 179.9° |
| C44 | C43 | C42 | C41 | 0.2° | 0.2° |
| C43 | C44 | C45 | C46 | 0.9° | 0.2° |
| C43 | C44 | C45 | C55 | 179.5° | 180.0° |
| C44 | C43 | C58 | H27 | 180.0° | 180.0° |
| C43 | C44 | C61 | H30 | 179.8° | 180.0° |
| C61 | C44 | C45 | C46 | 179.9° | 179.7° |
| C61 | C44 | C45 | C55 | 0.6° | 0.1° |
| C44 | C61 | C60 | H29 | 179.8° | 180.0° |
| O4 | C4 | C5 | H17 | 118.8° | 120.2° |
| O4 | C4 | C5 | C6 | 179.0° | 177.6° |
| O4 | C4 | C5 | O5 | 58.7° | 62.5° |
| O4 | C4 | C3 | H1 | 62.7° | 57.6° |
| O4 | C4 | C5 | H18 | 62.2° | 57.5° |
| C4 | C5 | C6 | O5 | 120.2° | 119.9° |
| C4 | C5 | C6 | H18 | 119.1° | 120.0° |
| C4 | C5 | C6 | C7 | 179.0° | 179.2° |
| C4 | C5 | O5 | H18 | 120.0° | 120.1° |
| C5 | C4 | C3 | H1 | 56.7° | 62.3° |
| C4 | C5 | C6 | H19 | 61.3° | 60.8° |
| C5 | C4 | O4 | H23 | 59.0° | 179.7° |
| C4 | C5 | O5 | H24 | 180.0° | 60.1° |
| C42 | C41 | C46 | H26 | 180.0° | 179.9° |
| C42 | C41 | C46 | C45 | 0.1° | 0.0° |
| C42 | C41 | C46 | C52 | 179.2° | 180.0° |
| C41 | C42 | C30 | H11 | 170.5° | 120.0° |
| C41 | C42 | C30 | H12 | 69.0° | 119.9° |
| O7 | C7 | C6 | C5 | 63.6° | 56.8° |
| O7 | C7 | C6 | H20 | 120.6° | 120.0° |
| O7 | C7 | C6 | H21 | 120.6° | 120.0° |
| O7 | C7 | C6 | H19 | 176.9° | 176.7° |
| O7 | C7 | H20 | H21 | 118.1° | 120.0° |
| C5 | C6 | C7 | H19 | 119.5° | 119.9° |
| C6 | C5 | O5 | H18 | 119.5° | 120.2° |
| C6 | C5 | C4 | H17 | 60.2° | 62.3° |
| C5 | C6 | C7 | H20 | 57.0° | 176.7° |
| C5 | C6 | C7 | H21 | 175.8° | 63.3° |
| C6 | C5 | O5 | H24 | 59.5° | 179.8° |
| C7 | C6 | C5 | O5 | 60.8° | 60.9° |
| C7 | C6 | C5 | H18 | 59.9° | 59.2° |
| C6 | C7 | H20 | H21 | 118.1° | 120.0° |
| C6 | C7 | O7 | H25 | 180.0° | 180.0° |
| C44 | C45 | C46 | C41 | 0.7° | 0.2° |
| C44 | C45 | C46 | C55 | 179.5° | 179.8° |
| C44 | C45 | C46 | C52 | 179.7° | 179.8° |
| C44 | C45 | C55 | C54 | 179.1° | 180.0° |
| C45 | C44 | C61 | H30 | 1.3° | 0.0° |
| C44 | C45 | C55 | H31 | 0.8° | 0.0° |
| O5 | C5 | C4 | H17 | 60.1° | 57.6° |
| O5 | C5 | C6 | H19 | 59.0° | 59.0° |
| C41 | C46 | C45 | C52 | 179.0° | 180.0° |
| C41 | C46 | C45 | C55 | 179.8° | 180.0° |
| C41 | C46 | C52 | C53 | 179.5° | 179.6° |
| C41 | C46 | C52 | H34 | 0.5° | 0.0° |
| C46 | C45 | C55 | C54 | 0.4° | 0.2° |
| C45 | C46 | C52 | C53 | 1.5° | 0.4° |
| C45 | C46 | C41 | H26 | 179.9° | 179.9° |
| C46 | C45 | C55 | H31 | 179.6° | 179.7° |
| C45 | C46 | C52 | H34 | 178.5° | 180.0° |
| C55 | C45 | C46 | C52 | 0.7° | 0.0° |
| C45 | C55 | C54 | H31 | 180.0° | 179.9° |
| C45 | C55 | C54 | C53 | 0.8° | 0.0° |
| C45 | C55 | C54 | H32 | 179.1° | 180.0° |
| C46 | C52 | C53 | H34 | 180.0° | 179.5° |
| C46 | C52 | C53 | C54 | 1.1° | 0.6° |
| C52 | C46 | C41 | H26 | 0.8° | 0.1° |
| C46 | C52 | C53 | H33 | 178.9° | 179.8° |
| C55 | C54 | C53 | C52 | 0.1° | 0.4° |
| C55 | C54 | C53 | H32 | 180.0° | 180.0° |
| C55 | C54 | C53 | H33 | 179.9° | 180.0° |
| C52 | C53 | C54 | H33 | 180.0° | 179.6° |
| C52 | C53 | C54 | H32 | 179.9° | 179.5° |
| C53 | C54 | C55 | H31 | 179.2° | 179.9° |
| C54 | C53 | C52 | H34 | 178.9° | 179.8° |
| H1 | C3 | C2 | H2 | 63.0° | 59.3° |
| H1 | C3 | C2 | H3 | 176.5° | 179.2° |
| H1 | C3 | C4 | H17 | 175.8° | 177.8° |
| H1 | C3 | O3 | H22 | 60.4° | 59.9° |
| H4 | C26 | C27 | H6 | 154.6° | 60.0° |
| H4 | C26 | C27 | H7 | 86.4° | 180.0° |
| H4 | C26 | C25 | H13 | 63.8° | 180.0° |
| H4 | C26 | C25 | H14 | 177.1° | 60.0° |
| H5 | C26 | C27 | H6 | 33.7° | 180.0° |
| H5 | C26 | C27 | H7 | 152.6° | 60.0° |
| H5 | C26 | C25 | H13 | 175.2° | 60.0° |
| H5 | C26 | C25 | H14 | 56.1° | 180.0° |
| H6 | C27 | C28 | H8 | 165.4° | 180.0° |
| H6 | C27 | C28 | H9 | 72.8° | 60.0° |
| H7 | C27 | C28 | H8 | 46.5° | 60.0° |
| H7 | C27 | C28 | H9 | 168.2° | 180.0° |
| H13 | C25 | C12 | H15 | 46.1° | 60.1° |
| H13 | C25 | C12 | H16 | 165.0° | 180.0° |
| H14 | C25 | C12 | H15 | 165.2° | 180.0° |
| H14 | C25 | C12 | H16 | 75.9° | 60.1° |
| H17 | C4 | C5 | H18 | 179.0° | 177.7° |
| H17 | C4 | O4 | H23 | 59.2° | 60.1° |
| H18 | C5 | C6 | H19 | 179.7° | 179.2° |
| H18 | C5 | O5 | H24 | 60.0° | 60.0° |
| H19 | C6 | C7 | H20 | 62.5° | 63.3° |
| H19 | C6 | C7 | H21 | 56.3° | 56.7° |
| H20 | C7 | O7 | H25 | 59.4° | 60.1° |
| H21 | C7 | O7 | H25 | 59.4° | 60.0° |
| H27 | C58 | C59 | H28 | 0.4° | 0.1° |
| H28 | C59 | C60 | H29 | 0.5° | 0.1° |
| H29 | C60 | C61 | H30 | 0.2° | 0.0° |
| H31 | C55 | C54 | H32 | 0.8° | 0.0° |
| H32 | C54 | C53 | H33 | 0.1° | 0.0° |
| H33 | C53 | C52 | H34 | 1.1° | 0.3° |
