I57
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O8 | C8 | sing | 1.43Å | 1.38Å | |
| C9 | O9 | sing | 1.43Å | 1.37Å | |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| O1A | C1 | doub | 1.22Å | 1.19Å | |
| C7 | C6 | sing | 1.53Å | 1.51Å | |
| C7 | O7 | sing | 1.43Å | 1.39Å | |
| C1 | O1B | sing | 1.35Å | 1.19Å | |
| C1 | C2 | sing | 1.47Å | 1.46Å | |
| O6 | C6 | sing | 1.43Å | 1.39Å | |
| O6 | C2 | sing | 1.35Å | 1.43Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | doub | 1.33Å | 1.35Å | |
| C3 | C4 | sing | 1.50Å | 1.52Å | |
| C5 | N5 | sing | 1.46Å | 1.43Å | |
| C5 | C4 | sing | 1.53Å | 1.51Å | |
| N5 | C10 | sing | 1.35Å | 1.23Å | |
| C4 | N4 | sing | 1.46Å | 1.49Å | |
| C54 | C11 | sing | 1.53Å | 1.49Å | |
| C10 | C11 | sing | 1.51Å | 1.48Å | |
| C10 | O10 | doub | 1.21Å | 1.19Å | |
| C11 | C53 | sing | 1.53Å | 1.51Å | |
| N4 | N41 | sing | 1.29Å | 1.35Å | Aromatic |
| N4 | C41 | sing | 1.35Å | 1.30Å | Aromatic |
| N41 | N42 | doub | 1.29Å | 1.35Å | Aromatic |
| C41 | C42 | doub | 1.36Å | 1.38Å | Aromatic |
| N42 | C42 | sing | 1.34Å | 1.32Å | Aromatic |
| C42 | C43 | sing | 1.48Å | 1.38Å | |
| C43 | C48 | doub | 1.39Å | 1.36Å | Aromatic |
| C43 | C44 | sing | 1.39Å | 1.39Å | Aromatic |
| C48 | C47 | sing | 1.38Å | 1.38Å | Aromatic |
| C44 | C45 | doub | 1.38Å | 1.38Å | Aromatic |
| C47 | C46 | doub | 1.38Å | 1.38Å | Aromatic |
| C45 | C46 | sing | 1.38Å | 1.40Å | Aromatic |
| O1B | HOB1 | sing | 0.97Å | 0.95Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| N5 | HN5 | sing | 0.97Å | 1.00Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| O8 | HO8 | sing | 0.97Å | 0.95Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| O9 | HO9 | sing | 0.97Å | 0.95Å | |
| C41 | H14 | sing | 1.08Å | 1.08Å | |
| C44 | H15 | sing | 1.08Å | 1.08Å | |
| C45 | H16 | sing | 1.08Å | 1.08Å | |
| C46 | H17 | sing | 1.08Å | 1.08Å | |
| C47 | H18 | sing | 1.08Å | 1.08Å | |
| C48 | H19 | sing | 1.08Å | 1.08Å | |
| C54 | H20 | sing | 1.09Å | 1.10Å | |
| C54 | H21 | sing | 1.09Å | 1.10Å | |
| C54 | H22 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C53 | H24 | sing | 1.09Å | 1.10Å | |
| C53 | H25 | sing | 1.09Å | 1.10Å | |
| C53 | H26 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O8 | C8 | C9 | 114.1° | 109.5° |
| O8 | C8 | C7 | 104.0° | 109.5° |
| O8 | C8 | H8 | 110.3° | 109.5° |
| C8 | O8 | HO8 | 109.5° | 114.0° |
| O9 | C9 | C8 | 113.5° | 109.4° |
| O9 | C9 | H91 | 108.4° | 109.5° |
| O9 | C9 | H92 | 108.5° | 109.5° |
| C9 | O9 | HO9 | 109.5° | 114.0° |
| C9 | C8 | C7 | 111.8° | 109.4° |
| C9 | C8 | H8 | 108.2° | 109.5° |
| C8 | C9 | H91 | 108.5° | 109.5° |
| C8 | C9 | H92 | 108.4° | 109.5° |
| C8 | C7 | C6 | 109.7° | 109.4° |
| C8 | C7 | O7 | 113.3° | 109.5° |
| C8 | C7 | H7 | 107.5° | 109.5° |
| C7 | C8 | H8 | 108.3° | 109.5° |
| O1A | C1 | O1B | 121.7° | 120.0° |
| O1A | C1 | C2 | 117.5° | 120.0° |
| C6 | C7 | O7 | 109.4° | 109.5° |
| C7 | C6 | O6 | 106.9° | 109.8° |
| C7 | C6 | C5 | 112.0° | 109.6° |
| C7 | C6 | H6 | 108.1° | 109.7° |
| C6 | C7 | H7 | 107.6° | 109.5° |
| O7 | C7 | H7 | 109.2° | 109.5° |
| C7 | O7 | HO7 | 109.5° | 114.0° |
| O1B | C1 | C2 | 120.9° | 120.0° |
| C1 | O1B | HOB1 | 109.5° | 117.0° |
| C1 | C2 | O6 | 117.5° | 118.5° |
| C1 | C2 | C3 | 122.2° | 118.5° |
| C6 | O6 | C2 | 121.5° | 117.7° |
| O6 | C6 | C5 | 112.1° | 108.5° |
| O6 | C6 | H6 | 109.7° | 109.6° |
| O6 | C2 | C3 | 120.3° | 123.0° |
| C6 | C5 | N5 | 108.2° | 109.8° |
| C6 | C5 | C4 | 109.0° | 108.2° |
| C6 | C5 | H5 | 109.5° | 109.8° |
| C5 | C6 | H6 | 107.9° | 109.7° |
| C2 | C3 | C4 | 120.3° | 122.3° |
| C2 | C3 | H3 | 119.9° | 118.9° |
| C3 | C4 | C5 | 110.5° | 109.5° |
| C3 | C4 | N4 | 111.6° | 109.5° |
| C4 | C3 | H3 | 119.9° | 118.9° |
| C3 | C4 | H4 | 105.6° | 109.5° |
| N5 | C5 | C4 | 109.5° | 109.7° |
| C5 | N5 | C10 | 121.6° | 120.0° |
| N5 | C5 | H5 | 111.0° | 109.7° |
| C5 | N5 | HN5 | 119.2° | 120.0° |
| C5 | C4 | N4 | 116.6° | 109.5° |
| C5 | C4 | H4 | 105.7° | 109.5° |
| C4 | C5 | H5 | 109.7° | 109.7° |
| N5 | C10 | C11 | 115.9° | 120.0° |
| N5 | C10 | O10 | 125.6° | 120.0° |
| C10 | N5 | HN5 | 119.2° | 120.0° |
| C4 | N4 | N41 | 114.6° | 125.8° |
| C4 | N4 | C41 | 136.0° | 125.8° |
| N4 | C4 | H4 | 105.9° | 109.5° |
| C54 | C11 | C10 | 111.6° | 109.5° |
| C54 | C11 | C53 | 110.9° | 109.4° |
| C11 | C54 | H20 | 109.5° | 109.5° |
| C11 | C54 | H21 | 109.4° | 109.4° |
| C11 | C54 | H22 | 109.5° | 109.4° |
| C54 | C11 | H111 | 108.4° | 109.5° |
| C11 | C10 | O10 | 118.5° | 120.0° |
| C10 | C11 | C53 | 109.1° | 109.5° |
| C10 | C11 | H111 | 108.5° | 109.5° |
| C53 | C11 | H111 | 108.2° | 109.5° |
| C11 | C53 | H24 | 109.5° | 109.5° |
| C11 | C53 | H25 | 109.4° | 109.4° |
| C11 | C53 | H26 | 109.4° | 109.5° |
| N41 | N4 | C41 | 109.4° | 108.5° |
| N4 | N41 | N42 | 106.0° | 110.5° |
| N4 | C41 | C42 | 108.6° | 106.0° |
| N4 | C41 | H14 | 125.7° | 126.9° |
| N41 | N42 | C42 | 110.2° | 108.8° |
| C41 | C42 | N42 | 105.8° | 106.2° |
| C41 | C42 | C43 | 129.9° | 126.9° |
| C42 | C41 | H14 | 125.7° | 127.0° |
| N42 | C42 | C43 | 124.4° | 126.9° |
| C42 | C43 | C48 | 120.8° | 120.1° |
| C42 | C43 | C44 | 120.1° | 120.1° |
| C48 | C43 | C44 | 119.1° | 119.7° |
| C43 | C48 | C47 | 119.4° | 119.9° |
| C43 | C48 | H19 | 120.3° | 120.1° |
| C43 | C44 | C45 | 122.0° | 119.8° |
| C43 | C44 | H15 | 119.0° | 120.0° |
| C48 | C47 | C46 | 122.6° | 120.1° |
| C48 | C47 | H18 | 118.7° | 119.9° |
| C47 | C48 | H19 | 120.3° | 120.0° |
| C44 | C45 | C46 | 118.9° | 120.2° |
| C45 | C44 | H15 | 119.0° | 120.1° |
| C44 | C45 | H16 | 120.6° | 119.9° |
| C47 | C46 | C45 | 118.0° | 120.2° |
| C47 | C46 | H17 | 121.0° | 119.8° |
| C46 | C47 | H18 | 118.7° | 120.0° |
| C46 | C45 | H16 | 120.5° | 119.9° |
| C45 | C46 | H17 | 121.0° | 119.9° |
| H91 | C9 | H92 | 109.5° | 109.5° |
| H20 | C54 | H21 | 109.5° | 109.5° |
| H20 | C54 | H22 | 109.5° | 109.5° |
| H21 | C54 | H22 | 109.5° | 109.5° |
| H24 | C53 | H25 | 109.4° | 109.5° |
| H24 | C53 | H26 | 109.5° | 109.5° |
| H25 | C53 | H26 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O8 | C8 | C9 | O9 | 50.6° | 65.0° |
| O8 | C8 | C9 | C7 | 117.7° | 120.0° |
| O8 | C8 | C9 | H8 | 123.1° | 120.0° |
| O8 | C8 | C7 | H8 | 117.3° | 120.0° |
| O8 | C8 | C7 | C6 | 60.8° | 60.0° |
| O8 | C8 | C7 | O7 | 176.7° | 180.0° |
| O8 | C8 | C7 | H7 | 55.9° | 60.0° |
| O8 | C8 | C9 | H91 | 171.1° | 175.0° |
| O8 | C8 | C9 | H92 | 70.0° | 55.0° |
| O9 | C9 | C8 | H91 | 120.6° | 120.0° |
| O9 | C9 | C8 | H92 | 120.6° | 120.0° |
| O9 | C9 | C8 | C7 | 67.1° | 175.0° |
| O9 | C9 | C8 | H8 | 173.7° | 55.0° |
| O9 | C9 | H91 | H92 | 118.2° | 120.0° |
| C9 | C8 | C7 | H8 | 119.1° | 120.0° |
| C9 | C8 | C7 | C6 | 175.6° | 180.0° |
| C9 | C8 | C7 | O7 | 53.1° | 60.0° |
| C9 | C8 | C7 | H7 | 67.7° | 60.0° |
| C9 | C8 | O8 | HO8 | 180.0° | 60.0° |
| C8 | C9 | H91 | H92 | 118.2° | 120.0° |
| C8 | C9 | O9 | HO9 | 180.0° | 180.0° |
| C8 | C7 | C6 | O7 | 124.8° | 120.0° |
| C8 | C7 | C6 | H7 | 116.7° | 120.0° |
| C8 | C7 | O7 | H7 | 119.8° | 120.0° |
| C8 | C7 | C6 | O6 | 59.8° | 55.9° |
| C8 | C7 | C6 | C5 | 177.0° | 175.0° |
| C8 | C7 | C6 | H6 | 58.3° | 64.5° |
| C8 | C7 | O7 | HO7 | 180.0° | 60.0° |
| C7 | C8 | O8 | HO8 | 57.9° | 60.0° |
| C7 | C8 | C9 | H91 | 53.5° | 55.0° |
| C7 | C8 | C9 | H92 | 172.3° | 65.0° |
| O1A | C1 | O1B | C2 | 179.7° | 179.9° |
| O1A | C1 | C2 | O6 | 7.6° | 179.7° |
| O1A | C1 | C2 | C3 | 171.1° | 0.0° |
| O1A | C1 | O1B | HOB1 | 0.0° | 0.1° |
| C6 | C7 | O7 | H7 | 117.5° | 120.0° |
| C7 | C6 | O6 | C5 | 123.1° | 119.8° |
| C7 | C6 | O6 | H6 | 117.0° | 120.5° |
| C7 | C6 | O6 | C2 | 157.1° | 167.3° |
| C7 | C6 | C5 | H6 | 118.9° | 120.5° |
| C7 | C6 | C5 | N5 | 65.7° | 57.6° |
| C7 | C6 | C5 | C4 | 175.3° | 177.3° |
| C7 | C6 | C5 | H5 | 55.4° | 63.0° |
| C6 | C7 | O7 | HO7 | 57.3° | 60.0° |
| C6 | C7 | C8 | H8 | 56.4° | 60.0° |
| O7 | C7 | C6 | O6 | 65.0° | 64.1° |
| O7 | C7 | C6 | C5 | 58.2° | 55.0° |
| O7 | C7 | C6 | H6 | 176.9° | 175.5° |
| O7 | C7 | C8 | H8 | 66.1° | 60.0° |
| O1B | C1 | C2 | O6 | 172.1° | 0.3° |
| O1B | C1 | C2 | C3 | 9.2° | 180.0° |
| C1 | C2 | O6 | C6 | 168.7° | 163.5° |
| C1 | C2 | O6 | C3 | 178.7° | 179.7° |
| C1 | C2 | C3 | C4 | 170.3° | 179.6° |
| C2 | C1 | O1B | HOB1 | 179.7° | 180.0° |
| C1 | C2 | C3 | H3 | 9.6° | 0.4° |
| O6 | C6 | C5 | H6 | 120.9° | 119.6° |
| C6 | O6 | C2 | C3 | 10.0° | 16.2° |
| O6 | C6 | C5 | N5 | 174.1° | 177.5° |
| O6 | C6 | C5 | C4 | 55.1° | 62.8° |
| O6 | C6 | C5 | H5 | 64.8° | 56.8° |
| O6 | C6 | C7 | H7 | 176.5° | 175.9° |
| C2 | O6 | C6 | C5 | 34.0° | 47.5° |
| O6 | C2 | C3 | C4 | 8.3° | 0.1° |
| O6 | C2 | C3 | H3 | 171.7° | 179.9° |
| C2 | O6 | C6 | H6 | 85.8° | 72.2° |
| C6 | C5 | C4 | C3 | 52.5° | 47.2° |
| C6 | C5 | N5 | C4 | 118.7° | 118.8° |
| C6 | C5 | N5 | H5 | 120.1° | 120.7° |
| C6 | C5 | C4 | H5 | 119.8° | 119.7° |
| C6 | C5 | N5 | C10 | 142.6° | 156.2° |
| C6 | C5 | C4 | N4 | 178.6° | 167.2° |
| C6 | C5 | C4 | H4 | 61.2° | 72.8° |
| C6 | C5 | N5 | HN5 | 37.4° | 23.8° |
| C5 | C6 | C7 | H7 | 60.3° | 65.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 31.1° | 17.5° |
| C2 | C3 | C4 | N4 | 162.6° | 137.5° |
| C2 | C3 | C4 | H4 | 82.7° | 102.5° |
| C3 | C4 | C5 | N5 | 170.8° | 166.9° |
| C3 | C4 | C5 | N4 | 128.9° | 120.0° |
| C3 | C4 | C5 | H4 | 113.8° | 120.0° |
| C3 | C4 | N4 | H4 | 114.5° | 120.0° |
| C3 | C4 | N4 | N41 | 132.7° | 145.0° |
| C3 | C4 | N4 | C41 | 45.2° | 34.7° |
| C3 | C4 | C5 | H5 | 67.3° | 72.5° |
| N5 | C5 | C4 | H5 | 122.0° | 120.6° |
| C5 | N5 | C10 | HN5 | 180.0° | 180.0° |
| N5 | C5 | C4 | N4 | 60.4° | 73.1° |
| C5 | N5 | C10 | C11 | 179.0° | 180.0° |
| C5 | N5 | C10 | O10 | 1.9° | 0.1° |
| N5 | C5 | C4 | H4 | 57.0° | 46.9° |
| N5 | C5 | C6 | H6 | 53.2° | 62.9° |
| C4 | C5 | N5 | C10 | 98.7° | 85.0° |
| C5 | C4 | N4 | H4 | 117.2° | 120.0° |
| C5 | C4 | N4 | N41 | 99.0° | 95.1° |
| C5 | C4 | N4 | C41 | 83.2° | 85.3° |
| C5 | C4 | C3 | H3 | 148.9° | 162.5° |
| C4 | C5 | N5 | HN5 | 81.3° | 95.0° |
| C4 | C5 | C6 | H6 | 65.8° | 56.8° |
| N5 | C10 | C11 | C54 | 106.6° | 60.1° |
| N5 | C10 | C11 | O10 | 177.4° | 179.9° |
| N5 | C10 | C11 | C53 | 130.5° | 180.0° |
| C10 | N5 | C5 | H5 | 22.5° | 35.5° |
| N5 | C10 | C11 | H111 | 12.7° | 60.0° |
| C4 | N4 | N41 | C41 | 178.4° | 179.7° |
| C4 | N4 | N41 | N42 | 177.6° | 179.9° |
| C4 | N4 | C41 | C42 | 176.9° | 180.0° |
| N4 | C4 | C3 | H3 | 17.4° | 42.5° |
| N4 | C4 | C5 | H5 | 61.6° | 47.5° |
| C4 | N4 | C41 | H14 | 3.1° | 0.1° |
| C54 | C11 | C10 | C53 | 122.9° | 120.0° |
| C54 | C11 | C10 | H111 | 119.4° | 120.1° |
| C54 | C11 | C10 | O10 | 76.0° | 120.0° |
| C54 | C11 | C53 | H111 | 118.8° | 120.0° |
| C11 | C54 | H20 | H21 | 120.0° | 119.9° |
| C11 | C54 | H20 | H22 | 120.0° | 120.0° |
| C11 | C54 | H21 | H22 | 120.0° | 120.0° |
| C54 | C11 | C53 | H24 | 180.0° | 60.0° |
| C54 | C11 | C53 | H25 | 60.0° | 180.0° |
| C54 | C11 | C53 | H26 | 60.0° | 60.0° |
| C10 | C11 | C53 | H111 | 117.9° | 120.0° |
| C11 | C10 | N5 | HN5 | 1.0° | 0.0° |
| C10 | C11 | C54 | H20 | 180.0° | 180.0° |
| C10 | C11 | C54 | H21 | 60.0° | 60.1° |
| C10 | C11 | C54 | H22 | 60.0° | 59.9° |
| C10 | C11 | C53 | H24 | 56.7° | 59.9° |
| C10 | C11 | C53 | H25 | 176.7° | 60.0° |
| C10 | C11 | C53 | H26 | 63.3° | 180.0° |
| O10 | C10 | C11 | C53 | 46.9° | 0.1° |
| O10 | C10 | N5 | HN5 | 178.2° | 179.9° |
| O10 | C10 | C11 | H111 | 164.7° | 119.9° |
| C53 | C11 | C54 | H20 | 58.1° | 60.0° |
| C53 | C11 | C54 | H21 | 178.1° | 180.0° |
| C53 | C11 | C54 | H22 | 61.9° | 60.0° |
| C11 | C53 | H24 | H25 | 120.0° | 120.0° |
| C11 | C53 | H24 | H26 | 120.0° | 120.1° |
| C11 | C53 | H25 | H26 | 120.0° | 120.0° |
| N41 | N4 | C41 | C42 | 1.0° | 0.3° |
| N4 | N41 | N42 | C42 | 0.3° | 0.4° |
| N41 | N4 | C4 | H4 | 18.2° | 25.0° |
| N41 | N4 | C41 | H14 | 179.0° | 179.8° |
| C41 | N4 | N41 | N42 | 0.8° | 0.4° |
| N4 | C41 | C42 | H14 | 180.0° | 179.9° |
| N4 | C41 | C42 | N42 | 0.8° | 0.0° |
| N4 | C41 | C42 | C43 | 179.8° | 179.9° |
| C41 | N4 | C4 | H4 | 159.6° | 154.7° |
| N41 | N42 | C42 | C41 | 0.3° | 0.2° |
| N41 | N42 | C42 | C43 | 179.4° | 179.8° |
| C41 | C42 | N42 | C43 | 179.1° | 180.0° |
| C41 | C42 | C43 | C48 | 0.9° | 180.0° |
| C41 | C42 | C43 | C44 | 180.0° | 0.3° |
| N42 | C42 | C43 | C48 | 179.8° | 0.0° |
| N42 | C42 | C43 | C44 | 1.2° | 179.7° |
| N42 | C42 | C41 | H14 | 179.2° | 180.0° |
| C42 | C43 | C48 | C44 | 179.0° | 179.7° |
| C42 | C43 | C48 | C47 | 179.7° | 179.7° |
| C42 | C43 | C44 | C45 | 179.7° | 180.0° |
| C43 | C42 | C41 | H14 | 0.2° | 0.0° |
| C42 | C43 | C44 | H15 | 0.3° | 0.1° |
| C42 | C43 | C48 | H19 | 0.3° | 0.0° |
| C43 | C48 | C47 | H19 | 180.0° | 179.8° |
| C48 | C43 | C44 | C45 | 0.6° | 0.2° |
| C43 | C48 | C47 | C46 | 0.1° | 0.6° |
| C48 | C43 | C44 | H15 | 179.4° | 179.8° |
| C43 | C48 | C47 | H18 | 179.9° | 179.7° |
| C44 | C43 | C48 | C47 | 0.7° | 0.6° |
| C43 | C44 | C45 | H15 | 180.0° | 180.0° |
| C43 | C44 | C45 | C46 | 0.0° | 0.0° |
| C43 | C44 | C45 | H16 | 180.0° | 180.0° |
| C44 | C43 | C48 | H19 | 179.3° | 179.7° |
| C48 | C47 | C46 | H18 | 180.0° | 179.7° |
| C48 | C47 | C46 | C45 | 0.5° | 0.3° |
| C48 | C47 | C46 | H17 | 179.6° | 179.8° |
| C44 | C45 | C46 | C47 | 0.5° | 0.0° |
| C44 | C45 | C46 | H16 | 180.0° | 180.0° |
| C44 | C45 | C46 | H17 | 179.5° | 179.9° |
| C47 | C46 | C45 | H17 | 180.0° | 180.0° |
| C47 | C46 | C45 | H16 | 179.5° | 180.0° |
| C46 | C47 | C48 | H19 | 179.9° | 179.7° |
| C46 | C45 | C44 | H15 | 180.0° | 179.9° |
| C45 | C46 | C47 | H18 | 179.5° | 180.0° |
| H3 | C3 | C4 | H4 | 97.3° | 77.5° |
| H4 | C4 | C5 | H5 | 178.9° | 167.5° |
| H5 | C5 | N5 | HN5 | 157.5° | 144.4° |
| H5 | C5 | C6 | H6 | 174.2° | 176.5° |
| H6 | C6 | C7 | H7 | 58.4° | 55.5° |
| H7 | C7 | O7 | HO7 | 60.2° | 180.0° |
| H7 | C7 | C8 | H8 | 173.1° | NaN° |
| H8 | C8 | O8 | HO8 | 57.9° | 180.0° |
| H8 | C8 | C9 | H91 | 65.7° | 65.0° |
| H8 | C8 | C9 | H92 | 53.1° | 175.0° |
| H91 | C9 | O9 | HO9 | 59.4° | 60.0° |
| H92 | C9 | O9 | HO9 | 59.4° | 60.0° |
| H15 | C44 | C45 | H16 | 0.1° | 0.1° |
| H16 | C45 | C46 | H17 | 0.5° | 0.0° |
| H17 | C46 | C47 | H18 | 0.4° | 0.0° |
| H18 | C47 | C48 | H19 | 0.2° | 0.1° |
| H20 | C54 | H21 | H22 | 120.0° | 120.1° |
| H20 | C54 | C11 | H111 | 60.5° | 60.0° |
| H21 | C54 | C11 | H111 | 59.4° | 60.0° |
| H22 | C54 | C11 | H111 | 179.4° | 180.0° |
| H111 | C11 | C53 | H24 | 61.2° | 179.9° |
| H111 | C11 | C53 | H25 | 58.7° | 59.9° |
| H111 | C11 | C53 | H26 | 178.8° | 60.0° |
| H24 | C53 | H25 | H26 | 120.0° | 120.0° |
