KSH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.37Å | 1.34Å | Aromatic |
| N1 | C6 | sing | 1.37Å | 1.34Å | Aromatic |
| N1 | N9 | sing | 1.40Å | 1.42Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | N42 | sing | 1.38Å | 1.41Å | |
| C3 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | N5 | doub | 1.32Å | 1.35Å | Aromatic |
| C4 | C37 | sing | 1.51Å | 1.51Å | |
| N5 | C6 | sing | 1.33Å | 1.35Å | Aromatic |
| C6 | C7 | doub | 1.41Å | 1.48Å | Aromatic |
| C7 | C8 | sing | 1.41Å | 1.48Å | Aromatic |
| C7 | C10 | sing | 1.46Å | 1.49Å | |
| C8 | N9 | doub | 1.31Å | 1.36Å | Aromatic |
| C8 | N16 | sing | 1.39Å | 1.35Å | |
| C10 | O11 | doub | 1.22Å | 1.22Å | |
| C10 | N12 | sing | 1.35Å | 1.33Å | |
| N16 | C17 | sing | 1.40Å | 1.35Å | |
| C17 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C19 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | O31 | sing | 1.36Å | 1.37Å | |
| C20 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C21 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C21 | O26 | sing | 1.36Å | 1.37Å | |
| O26 | C27 | sing | 1.43Å | 1.43Å | |
| O31 | C32 | sing | 1.43Å | 1.43Å | |
| C37 | C38 | sing | 1.53Å | 1.52Å | |
| N42 | C43 | sing | 1.47Å | 1.46Å | |
| N42 | C46 | sing | 1.47Å | 1.46Å | |
| C43 | C44 | sing | 1.55Å | 1.52Å | |
| C44 | C45 | sing | 1.55Å | 1.52Å | |
| C45 | C46 | sing | 1.54Å | 1.52Å | |
| C46 | C53 | sing | 1.53Å | 1.53Å | |
| C53 | O55 | sing | 1.43Å | 1.43Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| N12 | HN12 | sing | 0.97Å | 1.00Å | |
| N12 | HN1A | sing | 0.97Å | 1.00Å | |
| N16 | HN16 | sing | 0.97Å | 1.00Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C27 | H27B | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C32 | H32B | sing | 1.09Å | 1.10Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C37 | H37A | sing | 1.09Å | 1.10Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C38 | H38A | sing | 1.09Å | 1.10Å | |
| C38 | H38B | sing | 1.09Å | 1.10Å | |
| C43 | H43 | sing | 1.09Å | 1.10Å | |
| C43 | H43A | sing | 1.09Å | 1.10Å | |
| C44 | H44 | sing | 1.09Å | 1.10Å | |
| C44 | H44A | sing | 1.09Å | 1.10Å | |
| C45 | H45 | sing | 1.09Å | 1.10Å | |
| C45 | H45A | sing | 1.09Å | 1.10Å | |
| C46 | H46 | sing | 1.09Å | 1.10Å | |
| C53 | H53 | sing | 1.09Å | 1.10Å | |
| C53 | H53A | sing | 1.09Å | 1.10Å | |
| O55 | HO55 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C6 | 118.8° | 119.6° |
| C2 | N1 | N9 | 124.9° | 132.1° |
| N1 | C2 | C3 | 118.2° | 118.9° |
| N1 | C2 | N42 | 122.3° | 120.5° |
| C6 | N1 | N9 | 116.3° | 108.3° |
| N1 | C6 | N5 | 125.8° | 121.0° |
| N1 | C6 | C7 | 104.5° | 106.8° |
| N1 | N9 | C8 | 103.6° | 109.5° |
| C3 | C2 | N42 | 119.6° | 120.6° |
| C2 | C3 | C4 | 120.8° | 119.1° |
| C2 | C3 | H3 | 119.6° | 120.4° |
| C2 | N42 | C43 | 121.9° | 125.6° |
| C2 | N42 | C46 | 123.9° | 125.6° |
| C3 | C4 | N5 | 119.5° | 120.2° |
| C3 | C4 | C37 | 120.4° | 119.9° |
| C4 | C3 | H3 | 119.6° | 120.4° |
| N5 | C4 | C37 | 120.1° | 119.9° |
| C4 | N5 | C6 | 116.9° | 121.2° |
| C4 | C37 | C38 | 110.5° | 109.5° |
| C4 | C37 | H37 | 109.2° | 109.5° |
| C4 | C37 | H37A | 109.1° | 109.4° |
| N5 | C6 | C7 | 129.7° | 132.2° |
| C6 | C7 | C8 | 104.6° | 106.8° |
| C6 | C7 | C10 | 122.3° | 126.6° |
| C8 | C7 | C10 | 133.1° | 126.6° |
| C7 | C8 | N9 | 111.0° | 108.5° |
| C7 | C8 | N16 | 124.0° | 125.7° |
| C7 | C10 | O11 | 119.5° | 120.0° |
| C7 | C10 | N12 | 118.8° | 120.0° |
| N9 | C8 | N16 | 125.0° | 125.7° |
| C8 | N16 | C17 | 121.9° | 120.0° |
| C8 | N16 | HN16 | 119.0° | 120.0° |
| O11 | C10 | N12 | 121.7° | 120.0° |
| C10 | N12 | HN12 | 120.0° | 120.0° |
| C10 | N12 | HN1A | 120.0° | 120.0° |
| N16 | C17 | C18 | 120.6° | 120.0° |
| N16 | C17 | C22 | 119.8° | 120.0° |
| C17 | N16 | HN16 | 119.1° | 120.0° |
| C18 | C17 | C22 | 119.5° | 120.0° |
| C17 | C18 | C19 | 120.3° | 119.9° |
| C17 | C18 | H18 | 119.8° | 120.0° |
| C17 | C22 | C21 | 120.2° | 119.9° |
| C17 | C22 | H22 | 119.9° | 120.1° |
| C18 | C19 | C20 | 119.9° | 120.0° |
| C18 | C19 | O31 | 120.2° | 120.0° |
| C19 | C18 | H18 | 119.8° | 120.0° |
| C20 | C19 | O31 | 119.9° | 120.0° |
| C19 | C20 | C21 | 120.1° | 120.1° |
| C19 | C20 | H20 | 120.0° | 120.0° |
| C19 | O31 | C32 | 120.5° | 117.0° |
| C20 | C21 | C22 | 119.9° | 120.0° |
| C20 | C21 | O26 | 119.7° | 120.0° |
| C21 | C20 | H20 | 119.9° | 120.0° |
| C22 | C21 | O26 | 120.4° | 120.0° |
| C21 | C22 | H22 | 119.9° | 120.0° |
| C21 | O26 | C27 | 120.3° | 117.0° |
| O26 | C27 | H27 | 109.5° | 109.4° |
| O26 | C27 | H27A | 109.5° | 109.5° |
| O26 | C27 | H27B | 109.4° | 109.4° |
| O31 | C32 | H32 | 109.5° | 109.5° |
| O31 | C32 | H32A | 109.5° | 109.5° |
| O31 | C32 | H32B | 109.4° | 109.4° |
| C38 | C37 | H37 | 109.1° | 109.5° |
| C38 | C37 | H37A | 109.1° | 109.4° |
| C37 | C38 | H38 | 109.5° | 109.5° |
| C37 | C38 | H38A | 109.5° | 109.4° |
| C37 | C38 | H38B | 109.5° | 109.5° |
| C43 | N42 | C46 | 114.1° | 108.7° |
| N42 | C43 | C44 | 104.3° | 104.8° |
| N42 | C43 | H43 | 111.2° | 110.4° |
| N42 | C43 | H43A | 111.2° | 110.4° |
| N42 | C46 | C45 | 103.9° | 107.3° |
| N42 | C46 | C53 | 105.7° | 109.9° |
| N42 | C46 | H46 | 115.3° | 109.9° |
| C43 | C44 | C45 | 107.8° | 101.6° |
| C44 | C43 | H43 | 111.2° | 110.4° |
| C44 | C43 | H43A | 111.2° | 110.4° |
| C43 | C44 | H44 | 110.1° | 111.0° |
| C43 | C44 | H44A | 110.0° | 111.1° |
| C44 | C45 | C46 | 107.7° | 102.8° |
| C45 | C44 | H44 | 110.0° | 111.0° |
| C45 | C44 | H44A | 110.1° | 110.9° |
| C44 | C45 | H45 | 110.1° | 110.7° |
| C44 | C45 | H45A | 110.1° | 110.7° |
| C45 | C46 | C53 | 109.5° | 109.8° |
| C46 | C45 | H45 | 110.1° | 110.9° |
| C46 | C45 | H45A | 110.0° | 110.6° |
| C45 | C46 | H46 | 111.8° | 110.0° |
| C46 | C53 | O55 | 110.2° | 109.5° |
| C53 | C46 | H46 | 110.2° | 110.0° |
| C46 | C53 | H53 | 109.2° | 109.4° |
| C46 | C53 | H53A | 109.2° | 109.5° |
| O55 | C53 | H53 | 109.2° | 109.5° |
| O55 | C53 | H53A | 109.3° | 109.5° |
| C53 | O55 | HO55 | 109.5° | 114.0° |
| HN12 | N12 | HN1A | 120.0° | 120.0° |
| H27 | C27 | H27A | 109.4° | 109.5° |
| H27 | C27 | H27B | 109.4° | 109.5° |
| H27A | C27 | H27B | 109.5° | 109.5° |
| H32 | C32 | H32A | 109.4° | 109.5° |
| H32 | C32 | H32B | 109.5° | 109.5° |
| H32A | C32 | H32B | 109.5° | 109.5° |
| H37 | C37 | H37A | 109.8° | 109.5° |
| H38 | C38 | H38A | 109.5° | 109.5° |
| H38 | C38 | H38B | 109.5° | 109.5° |
| H38A | C38 | H38B | 109.4° | 109.5° |
| H43 | C43 | H43A | 107.7° | 110.5° |
| H44 | C44 | H44A | 108.9° | 110.9° |
| H45 | C45 | H45A | 108.9° | 110.8° |
| H53 | C53 | H53A | 109.7° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C6 | N9 | 179.8° | 179.8° |
| N1 | C2 | C3 | N42 | 179.5° | 180.0° |
| N1 | C2 | C3 | C4 | 0.1° | 0.0° |
| C2 | N1 | C6 | N5 | 0.1° | 0.0° |
| C2 | N1 | C6 | C7 | 179.9° | 180.0° |
| C2 | N1 | N9 | C8 | 179.8° | 179.8° |
| N1 | C2 | N42 | C43 | 143.2° | 0.0° |
| N1 | C2 | N42 | C46 | 36.6° | 179.7° |
| N1 | C2 | C3 | H3 | 179.9° | 180.0° |
| C6 | N1 | C2 | C3 | 0.2° | 0.0° |
| C6 | N1 | C2 | N42 | 179.6° | 180.0° |
| N1 | C6 | N5 | C4 | 0.0° | 0.1° |
| N1 | C6 | N5 | C7 | 179.9° | 179.9° |
| N1 | C6 | C7 | C8 | 0.2° | 0.0° |
| N1 | C6 | C7 | C10 | 179.9° | 180.0° |
| C6 | N1 | N9 | C8 | 0.0° | 0.4° |
| N9 | N1 | C2 | C3 | 180.0° | 179.7° |
| N9 | N1 | C2 | N42 | 0.6° | 0.3° |
| N9 | N1 | C6 | N5 | 180.0° | 179.8° |
| N9 | N1 | C6 | C7 | 0.1° | 0.3° |
| N1 | N9 | C8 | C7 | 0.1° | 0.4° |
| N1 | N9 | C8 | N16 | 179.8° | 179.9° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | N5 | 0.1° | 0.1° |
| C2 | C3 | C4 | C37 | 179.8° | 179.9° |
| C3 | C2 | N42 | C43 | 36.2° | 180.0° |
| C3 | C2 | N42 | C46 | 144.0° | 0.3° |
| N42 | C2 | C3 | C4 | 179.6° | 180.0° |
| C2 | N42 | C43 | C46 | 179.8° | 179.7° |
| C2 | N42 | C43 | C44 | 167.1° | 155.8° |
| C2 | N42 | C46 | C45 | 164.3° | 179.0° |
| C2 | N42 | C46 | C53 | 80.5° | 61.7° |
| N42 | C2 | C3 | H3 | 0.4° | 0.0° |
| C2 | N42 | C43 | H43 | 72.9° | 85.4° |
| C2 | N42 | C43 | H43A | 47.1° | 37.0° |
| C2 | N42 | C46 | H46 | 41.5° | 59.5° |
| C3 | C4 | N5 | C37 | 179.8° | 179.9° |
| C3 | C4 | N5 | C6 | 0.1° | 0.1° |
| C3 | C4 | C37 | C38 | 147.0° | 180.0° |
| C3 | C4 | C37 | H37 | 27.0° | 60.0° |
| C3 | C4 | C37 | H37A | 93.0° | 60.1° |
| C4 | N5 | C6 | C7 | 179.9° | 180.0° |
| N5 | C4 | C37 | C38 | 33.2° | 0.1° |
| N5 | C4 | C3 | H3 | 179.9° | 179.9° |
| N5 | C4 | C37 | H37 | 153.2° | 119.9° |
| N5 | C4 | C37 | H37A | 86.8° | 120.0° |
| C37 | C4 | N5 | C6 | 179.9° | 180.0° |
| C4 | C37 | C38 | H37 | 120.0° | 120.0° |
| C4 | C37 | C38 | H37A | 120.0° | 119.9° |
| C37 | C4 | C3 | H3 | 0.2° | 0.1° |
| C4 | C37 | H37 | H37A | 119.6° | 120.0° |
| C4 | C37 | C38 | H38 | 180.0° | 60.0° |
| C4 | C37 | C38 | H38A | 60.0° | 60.1° |
| C4 | C37 | C38 | H38B | 60.0° | 180.0° |
| N5 | C6 | C7 | C8 | 179.9° | 180.0° |
| N5 | C6 | C7 | C10 | 0.2° | 0.1° |
| C6 | C7 | C8 | C10 | 179.7° | 179.9° |
| C6 | C7 | C8 | N9 | 0.2° | 0.2° |
| C6 | C7 | C8 | N16 | 179.8° | 180.0° |
| C6 | C7 | C10 | O11 | 175.1° | 89.9° |
| C6 | C7 | C10 | N12 | 5.0° | 90.0° |
| C7 | C8 | N9 | N16 | 179.7° | 179.7° |
| C8 | C7 | C10 | O11 | 5.3° | 90.0° |
| C8 | C7 | C10 | N12 | 174.7° | 90.1° |
| C7 | C8 | N16 | C17 | 177.5° | 174.5° |
| C7 | C8 | N16 | HN16 | 2.6° | 5.4° |
| C10 | C7 | C8 | N9 | 179.9° | 179.7° |
| C10 | C7 | C8 | N16 | 0.5° | 0.0° |
| C7 | C10 | O11 | N12 | 179.9° | 179.9° |
| C7 | C10 | N12 | HN12 | 179.9° | 0.1° |
| C7 | C10 | N12 | HN1A | 0.1° | 180.0° |
| N9 | C8 | N16 | C17 | 2.2° | 5.8° |
| N9 | C8 | N16 | HN16 | 177.8° | 174.3° |
| C8 | N16 | C17 | HN16 | 180.0° | 179.9° |
| C8 | N16 | C17 | C18 | 14.4° | 29.4° |
| C8 | N16 | C17 | C22 | 165.7° | 150.9° |
| O11 | C10 | N12 | HN12 | 0.0° | 180.0° |
| O11 | C10 | N12 | HN1A | 180.0° | 0.1° |
| C10 | N12 | HN12 | HN1A | 180.0° | 179.9° |
| N16 | C17 | C18 | C22 | 179.9° | 179.7° |
| N16 | C17 | C18 | C19 | 180.0° | 180.0° |
| N16 | C17 | C22 | C21 | 180.0° | 179.7° |
| N16 | C17 | C18 | H18 | 0.0° | 0.0° |
| N16 | C17 | C22 | H22 | 0.0° | 0.0° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.1° | 0.0° |
| C17 | C18 | C19 | O31 | 179.9° | 180.0° |
| C18 | C17 | C22 | C21 | 0.1° | 0.6° |
| C18 | C17 | N16 | HN16 | 165.6° | 150.6° |
| C18 | C17 | C22 | H22 | 179.8° | 179.7° |
| C22 | C17 | C18 | C19 | 0.1° | 0.3° |
| C17 | C22 | C21 | C20 | 0.1° | 0.6° |
| C17 | C22 | C21 | H22 | 180.0° | 179.7° |
| C17 | C22 | C21 | O26 | 179.9° | 179.6° |
| C22 | C17 | N16 | HN16 | 14.3° | 29.2° |
| C22 | C17 | C18 | H18 | 179.9° | 179.7° |
| C18 | C19 | C20 | O31 | 180.0° | 179.9° |
| C18 | C19 | C20 | C21 | 0.2° | 0.1° |
| C18 | C19 | O31 | C32 | 123.7° | 180.0° |
| C18 | C19 | C20 | H20 | 179.9° | 180.0° |
| C19 | C20 | C21 | H20 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 0.1° | 0.3° |
| C19 | C20 | C21 | O26 | 180.0° | 180.0° |
| C20 | C19 | O31 | C32 | 56.3° | 0.0° |
| C20 | C19 | C18 | H18 | 179.9° | 179.9° |
| O31 | C19 | C20 | C21 | 179.9° | 180.0° |
| O31 | C19 | C18 | H18 | 0.0° | 0.0° |
| O31 | C19 | C20 | H20 | 0.1° | 0.1° |
| C19 | O31 | C32 | H32 | 180.0° | 60.0° |
| C19 | O31 | C32 | H32A | 60.0° | 60.0° |
| C19 | O31 | C32 | H32B | 60.0° | 180.0° |
| C20 | C21 | C22 | O26 | 179.9° | 179.8° |
| C20 | C21 | O26 | C27 | 57.8° | 0.1° |
| C20 | C21 | C22 | H22 | 179.9° | 179.7° |
| C22 | C21 | O26 | C27 | 122.3° | 179.7° |
| C22 | C21 | C20 | H20 | 179.9° | 179.7° |
| O26 | C21 | C20 | H20 | 0.0° | 0.1° |
| O26 | C21 | C22 | H22 | 0.2° | 0.1° |
| C21 | O26 | C27 | H27 | 180.0° | 59.9° |
| C21 | O26 | C27 | H27A | 60.0° | 180.0° |
| C21 | O26 | C27 | H27B | 60.0° | 60.0° |
| O26 | C27 | H27 | H27A | 120.0° | 120.0° |
| O26 | C27 | H27 | H27B | 120.0° | 119.9° |
| O26 | C27 | H27A | H27B | 120.0° | 120.0° |
| O31 | C32 | H32 | H32A | 120.0° | 120.0° |
| O31 | C32 | H32 | H32B | 120.0° | 120.0° |
| O31 | C32 | H32A | H32B | 120.0° | 120.0° |
| C38 | C37 | H37 | H37A | 119.6° | 120.0° |
| C37 | C38 | H38 | H38A | 120.0° | 120.0° |
| C37 | C38 | H38 | H38B | 120.0° | 120.0° |
| C37 | C38 | H38A | H38B | 120.0° | 120.0° |
| N42 | C43 | C44 | H43 | 120.0° | 118.8° |
| N42 | C43 | C44 | H43A | 120.0° | 118.8° |
| N42 | C43 | C44 | C45 | 4.3° | 37.0° |
| C43 | N42 | C46 | C45 | 15.5° | 0.7° |
| C43 | N42 | C46 | C53 | 99.8° | 118.6° |
| N42 | C43 | H43 | H43A | 122.1° | 122.3° |
| N42 | C43 | C44 | H44 | 124.3° | 155.1° |
| N42 | C43 | C44 | H44A | 115.7° | 81.0° |
| C43 | N42 | C46 | H46 | 138.2° | 120.2° |
| C46 | N42 | C43 | C44 | 12.7° | 23.9° |
| N42 | C46 | C45 | C44 | 11.6° | 22.5° |
| N42 | C46 | C45 | C53 | 112.5° | 119.3° |
| N42 | C46 | C45 | H46 | 125.0° | 119.5° |
| N42 | C46 | C53 | H46 | 125.2° | 121.1° |
| N42 | C46 | C53 | O55 | 126.3° | 65.0° |
| C46 | N42 | C43 | H43 | 107.3° | 94.9° |
| C46 | N42 | C43 | H43A | 132.7° | 142.7° |
| N42 | C46 | C45 | H45 | 131.7° | 95.8° |
| N42 | C46 | C45 | H45A | 108.3° | 140.8° |
| N42 | C46 | C53 | H53 | 113.7° | 175.0° |
| N42 | C46 | C53 | H53A | 6.3° | 55.0° |
| C43 | C44 | C45 | H44 | 120.0° | 118.1° |
| C43 | C44 | C45 | H44A | 120.0° | 118.1° |
| C43 | C44 | C45 | C46 | 4.6° | 35.7° |
| C44 | C43 | H43 | H43A | 122.1° | 122.3° |
| C43 | C44 | H44 | H44A | 120.7° | 123.9° |
| C43 | C44 | C45 | H45 | 124.7° | 82.8° |
| C43 | C44 | C45 | H45A | 115.3° | 153.9° |
| C44 | C45 | C46 | H45 | 120.0° | 118.3° |
| C44 | C45 | C46 | H45A | 120.0° | 118.3° |
| C44 | C45 | C46 | C53 | 100.9° | 141.8° |
| C45 | C44 | C43 | H43 | 115.6° | 81.8° |
| C45 | C44 | C43 | H43A | 124.3° | 155.8° |
| C45 | C44 | H44 | H44A | 120.7° | 123.8° |
| C44 | C45 | H45 | H45A | 120.7° | 123.2° |
| C44 | C45 | C46 | H46 | 136.7° | 96.9° |
| C45 | C46 | C53 | H46 | 123.4° | 121.2° |
| C45 | C46 | C53 | O55 | 14.9° | 52.7° |
| C46 | C45 | C44 | H44 | 115.4° | 153.8° |
| C46 | C45 | C44 | H44A | 124.6° | 82.4° |
| C46 | C45 | H45 | H45A | 120.7° | 123.3° |
| C45 | C46 | C53 | H53 | 134.9° | 67.2° |
| C45 | C46 | C53 | H53A | 105.1° | 172.8° |
| C46 | C53 | O55 | H53 | 120.0° | 120.0° |
| C46 | C53 | O55 | H53A | 120.0° | 120.1° |
| C53 | C46 | C45 | H45 | 19.2° | 23.5° |
| C53 | C46 | C45 | H45A | 139.2° | 99.9° |
| C46 | C53 | H53 | H53A | 119.7° | 120.0° |
| C46 | C53 | O55 | HO55 | 180.0° | 180.0° |
| O55 | C53 | C46 | H46 | 108.5° | 173.9° |
| O55 | C53 | H53 | H53A | 119.8° | 120.0° |
| H27 | C27 | H27A | H27B | 120.0° | 120.1° |
| H32 | C32 | H32A | H32B | 120.0° | 120.0° |
| H37 | C37 | C38 | H38 | 60.0° | 180.0° |
| H37 | C37 | C38 | H38A | 180.0° | 60.0° |
| H37 | C37 | C38 | H38B | 60.0° | 60.0° |
| H37A | C37 | C38 | H38 | 60.0° | 60.0° |
| H37A | C37 | C38 | H38A | 60.0° | 180.0° |
| H37A | C37 | C38 | H38B | 180.0° | 60.0° |
| H38 | C38 | H38A | H38B | 120.0° | 120.0° |
| H43 | C43 | C44 | H44 | 4.3° | 36.3° |
| H43 | C43 | C44 | H44A | 124.3° | 160.1° |
| H43A | C43 | C44 | H44 | 115.7° | 86.1° |
| H43A | C43 | C44 | H44A | 4.3° | 37.8° |
| H44 | C44 | C45 | H45 | 4.6° | 35.3° |
| H44 | C44 | C45 | H45A | 124.7° | 88.0° |
| H44A | C44 | C45 | H45 | 115.3° | 159.0° |
| H44A | C44 | C45 | H45A | 4.7° | 35.8° |
| H45 | C45 | C46 | H46 | 103.3° | 144.7° |
| H45A | C45 | C46 | H46 | 16.7° | 21.3° |
| H46 | C46 | C53 | H53 | 11.5° | 53.9° |
| H46 | C46 | C53 | H53A | 131.5° | 66.0° |
| H53 | C53 | O55 | HO55 | 60.0° | 60.0° |
| H53A | C53 | O55 | HO55 | 60.0° | 59.9° |
