DIW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C30 | C | doub | 1.38Å | 1.39Å | Aromatic |
| C | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C | H | sing | 1.08Å | 1.08Å | |
| C3 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C32 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C9 | sing | 1.51Å | 1.49Å | |
| C3 | N7 | sing | 1.39Å | 1.35Å | |
| C29 | N7 | sing | 1.47Å | 1.48Å | |
| N7 | C8 | sing | 1.37Å | 1.35Å | |
| C8 | C9 | sing | 1.51Å | 1.51Å | |
| C8 | C10 | doub | 1.35Å | 1.52Å | |
| C9 | C28 | sing | 1.53Å | 1.52Å | |
| C9 | C27 | sing | 1.53Å | 1.52Å | |
| C10 | C11 | sing | 1.41Å | 1.51Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | C12 | doub | 1.36Å | 1.34Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | C13 | sing | 1.46Å | 1.48Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | C14 | doub | 1.47Å | 1.40Å | Aromatic |
| C13 | C18 | sing | 1.40Å | 1.39Å | Aromatic |
| C22 | C14 | sing | 1.40Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.42Å | 1.39Å | Aromatic |
| C15 | C19 | sing | 1.41Å | 1.39Å | Aromatic |
| C15 | N16 | doub | 1.34Å | 1.34Å | Aromatic |
| C17 | N16 | sing | 1.31Å | 1.34Å | Aromatic |
| N16 | C23 | sing | 1.46Å | 1.47Å | |
| C18 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C20 | C19 | doub | 1.36Å | 1.39Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C21 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C22 | C21 | doub | 1.36Å | 1.39Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C25 | S26 | sing | 1.81Å | 1.66Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| O31 | S26 | doub | 1.42Å | 1.48Å | |
| S26 | O32 | doub | 1.42Å | 1.48Å | |
| S26 | O30 | sing | 1.52Å | 1.48Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C27 | H27B | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C28 | H28B | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C29 | H29B | sing | 1.09Å | 1.10Å | |
| C30 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| O30 | HO30 | sing | 0.97Å | 0.95Å | |
| C31 | C32 | doub | 1.38Å | 1.40Å | Aromatic |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C30 | C | C3 | 120.0° | 120.2° |
| C30 | C | H | 120.0° | 119.9° |
| C | C30 | C31 | 119.7° | 120.3° |
| C | C30 | H30 | 120.2° | 119.8° |
| C3 | C | H | 120.0° | 120.0° |
| C | C3 | C2 | 120.5° | 119.0° |
| C | C3 | N7 | 132.0° | 130.5° |
| C3 | C2 | C32 | 119.7° | 120.7° |
| C3 | C2 | C9 | 111.9° | 106.8° |
| C2 | C3 | N7 | 107.5° | 110.5° |
| C32 | C2 | C9 | 128.4° | 132.5° |
| C2 | C32 | C31 | 119.9° | 120.0° |
| C2 | C32 | H32 | 120.1° | 120.0° |
| C2 | C9 | C8 | 98.0° | 104.2° |
| C2 | C9 | C28 | 110.1° | 110.5° |
| C2 | C9 | C27 | 109.7° | 110.5° |
| C3 | N7 | C29 | 125.2° | 124.1° |
| C3 | N7 | C8 | 111.7° | 111.7° |
| C29 | N7 | C8 | 123.0° | 124.1° |
| N7 | C29 | H29 | 109.5° | 109.5° |
| N7 | C29 | H29A | 109.5° | 109.4° |
| N7 | C29 | H29B | 109.5° | 109.4° |
| N7 | C8 | C9 | 110.9° | 106.7° |
| N7 | C8 | C10 | 124.7° | 126.6° |
| C9 | C8 | C10 | 124.4° | 126.6° |
| C8 | C9 | C28 | 111.9° | 110.5° |
| C8 | C9 | C27 | 114.6° | 110.5° |
| C8 | C10 | C11 | 121.8° | 120.0° |
| C8 | C10 | H10 | 119.1° | 120.0° |
| C28 | C9 | C27 | 111.7° | 110.5° |
| C9 | C28 | H28 | 109.5° | 109.4° |
| C9 | C28 | H28A | 109.5° | 109.5° |
| C9 | C28 | H28B | 109.4° | 109.5° |
| C9 | C27 | H27 | 109.5° | 109.5° |
| C9 | C27 | H27A | 109.4° | 109.5° |
| C9 | C27 | H27B | 109.5° | 109.5° |
| C11 | C10 | H10 | 119.1° | 120.0° |
| C10 | C11 | C12 | 115.3° | 120.0° |
| C10 | C11 | H11 | 122.4° | 120.0° |
| C12 | C11 | H11 | 122.3° | 120.0° |
| C11 | C12 | C13 | 122.1° | 120.0° |
| C11 | C12 | H12 | 118.9° | 120.0° |
| C13 | C12 | H12 | 119.0° | 120.0° |
| C12 | C13 | C14 | 122.3° | 121.4° |
| C12 | C13 | C18 | 118.9° | 121.4° |
| C14 | C13 | C18 | 118.8° | 117.2° |
| C13 | C14 | C22 | 121.3° | 121.7° |
| C13 | C14 | C15 | 119.1° | 118.4° |
| C13 | C18 | C17 | 119.3° | 119.4° |
| C13 | C18 | H18 | 120.3° | 120.3° |
| C22 | C14 | C15 | 119.5° | 119.9° |
| C14 | C22 | C21 | 120.6° | 119.6° |
| C14 | C22 | H22 | 119.7° | 120.2° |
| C14 | C15 | C19 | 120.0° | 119.0° |
| C14 | C15 | N16 | 120.7° | 119.9° |
| C19 | C15 | N16 | 119.3° | 121.1° |
| C15 | C19 | C20 | 120.3° | 119.7° |
| C15 | C19 | H19 | 119.9° | 120.1° |
| C15 | N16 | C17 | 121.0° | 122.5° |
| C15 | N16 | C23 | 119.8° | 118.8° |
| C17 | N16 | C23 | 119.2° | 118.7° |
| N16 | C17 | C18 | 121.0° | 122.6° |
| N16 | C17 | H17 | 119.5° | 118.7° |
| N16 | C23 | C24 | 110.1° | 109.5° |
| N16 | C23 | H23 | 109.3° | 109.5° |
| N16 | C23 | H23A | 109.3° | 109.5° |
| C18 | C17 | H17 | 119.5° | 118.7° |
| C17 | C18 | H18 | 120.3° | 120.3° |
| C20 | C19 | H19 | 119.8° | 120.2° |
| C19 | C20 | C21 | 120.0° | 121.1° |
| C19 | C20 | H20 | 120.0° | 119.4° |
| C21 | C20 | H20 | 120.0° | 119.4° |
| C20 | C21 | C22 | 119.6° | 120.8° |
| C20 | C21 | H21 | 120.2° | 119.7° |
| C22 | C21 | H21 | 120.2° | 119.6° |
| C21 | C22 | H22 | 119.7° | 120.3° |
| C24 | C23 | H23 | 109.3° | 109.5° |
| C24 | C23 | H23A | 109.3° | 109.5° |
| C23 | C24 | C25 | 112.2° | 109.4° |
| C23 | C24 | H24 | 108.8° | 109.5° |
| C23 | C24 | H24A | 108.8° | 109.5° |
| H23 | C23 | H23A | 109.5° | 109.4° |
| C25 | C24 | H24 | 108.8° | 109.5° |
| C25 | C24 | H24A | 108.8° | 109.5° |
| C24 | C25 | S26 | 110.8° | 109.4° |
| C24 | C25 | H25 | 109.2° | 109.5° |
| C24 | C25 | H25A | 109.1° | 109.5° |
| H24 | C24 | H24A | 109.5° | 109.5° |
| S26 | C25 | H25 | 109.1° | 109.4° |
| S26 | C25 | H25A | 109.1° | 109.4° |
| C25 | S26 | O31 | 110.0° | 110.5° |
| C25 | S26 | O32 | 108.8° | 110.6° |
| C25 | S26 | O30 | 109.2° | 104.4° |
| H25 | C25 | H25A | 109.4° | 109.5° |
| O31 | S26 | O32 | 109.3° | 121.0° |
| O31 | S26 | O30 | 109.2° | 104.3° |
| O32 | S26 | O30 | 110.3° | 104.2° |
| S26 | O30 | HO30 | 109.5° | 113.9° |
| H27 | C27 | H27A | 109.5° | 109.4° |
| H27 | C27 | H27B | 109.4° | 109.5° |
| H27A | C27 | H27B | 109.5° | 109.5° |
| H28 | C28 | H28A | 109.5° | 109.5° |
| H28 | C28 | H28B | 109.5° | 109.5° |
| H28A | C28 | H28B | 109.5° | 109.5° |
| H29 | C29 | H29A | 109.4° | 109.5° |
| H29 | C29 | H29B | 109.5° | 109.5° |
| H29A | C29 | H29B | 109.5° | 109.5° |
| C31 | C30 | H30 | 120.1° | 119.9° |
| C30 | C31 | C32 | 120.2° | 119.9° |
| C30 | C31 | H31 | 119.9° | 120.1° |
| C32 | C31 | H31 | 119.9° | 120.0° |
| C31 | C32 | H32 | 120.0° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C30 | C | C3 | H | 180.0° | 179.7° |
| C30 | C | C3 | C2 | 0.0° | 0.3° |
| C30 | C | C3 | N7 | 179.8° | 179.7° |
| C | C30 | C31 | H30 | 180.0° | 180.0° |
| C | C30 | C31 | C32 | 0.7° | 0.0° |
| C | C30 | C31 | H31 | 179.4° | 180.0° |
| C | C3 | C2 | N7 | 179.8° | 180.0° |
| C | C3 | C2 | C32 | 0.3° | 0.6° |
| C | C3 | C2 | C9 | 179.5° | 180.0° |
| C | C3 | N7 | C29 | 0.3° | 0.0° |
| C | C3 | N7 | C8 | 179.4° | 180.0° |
| C3 | C | C30 | C31 | 0.4° | 0.0° |
| C3 | C | C30 | H30 | 179.5° | 180.0° |
| H | C | C3 | C2 | 180.0° | 180.0° |
| H | C | C3 | N7 | 0.2° | 0.0° |
| H | C | C30 | C31 | 179.6° | 179.7° |
| H | C | C30 | H30 | 0.4° | 0.3° |
| C3 | C2 | C32 | C9 | 179.1° | 179.2° |
| C2 | C3 | N7 | C29 | 179.5° | 180.0° |
| C2 | C3 | N7 | C8 | 0.4° | 0.0° |
| C3 | C2 | C9 | C8 | 1.3° | 0.0° |
| C3 | C2 | C9 | C28 | 115.6° | 118.7° |
| C3 | C2 | C9 | C27 | 121.1° | 118.7° |
| C3 | C2 | C32 | C31 | 0.0° | 0.6° |
| C3 | C2 | C32 | H32 | 180.0° | 179.7° |
| C32 | C2 | C3 | N7 | 179.9° | 179.4° |
| C32 | C2 | C9 | C8 | 179.6° | 179.3° |
| C32 | C2 | C9 | C28 | 63.5° | 62.0° |
| C32 | C2 | C9 | C27 | 59.8° | 60.6° |
| C2 | C32 | C31 | C30 | 0.4° | 0.3° |
| C2 | C32 | C31 | H32 | 180.0° | 179.8° |
| C2 | C32 | C31 | H31 | 179.6° | 179.7° |
| C9 | C2 | C3 | N7 | 0.7° | 0.0° |
| C2 | C9 | C8 | N7 | 1.5° | 0.0° |
| C2 | C9 | C8 | C28 | 115.5° | 118.7° |
| C2 | C9 | C8 | C27 | 116.0° | 118.7° |
| C2 | C9 | C8 | C10 | 179.9° | 180.0° |
| C2 | C9 | C28 | C27 | 122.2° | 122.6° |
| C2 | C9 | C27 | H27 | 180.0° | 61.5° |
| C2 | C9 | C27 | H27A | 60.0° | 178.6° |
| C2 | C9 | C27 | H27B | 60.0° | 58.5° |
| C2 | C9 | C28 | H28 | 180.0° | 58.5° |
| C2 | C9 | C28 | H28A | 60.0° | 178.5° |
| C2 | C9 | C28 | H28B | 60.0° | 61.4° |
| C9 | C2 | C32 | C31 | 179.1° | 179.8° |
| C9 | C2 | C32 | H32 | 0.9° | 0.4° |
| C3 | N7 | C29 | C8 | 179.0° | 180.0° |
| C3 | N7 | C8 | C9 | 1.3° | 0.0° |
| C3 | N7 | C8 | C10 | 179.9° | 180.0° |
| C3 | N7 | C29 | H29 | 180.0° | 0.0° |
| C3 | N7 | C29 | H29A | 60.0° | 120.0° |
| C3 | N7 | C29 | H29B | 60.0° | 120.0° |
| C29 | N7 | C8 | C9 | 179.6° | 180.0° |
| C29 | N7 | C8 | C10 | 1.0° | 0.0° |
| N7 | C29 | H29 | H29A | 120.0° | 120.0° |
| N7 | C29 | H29 | H29B | 120.0° | 120.0° |
| N7 | C29 | H29A | H29B | 120.0° | 119.9° |
| N7 | C8 | C9 | C10 | 178.6° | 179.9° |
| N7 | C8 | C9 | C28 | 114.0° | 118.7° |
| N7 | C8 | C9 | C27 | 117.5° | 118.7° |
| N7 | C8 | C10 | C11 | 178.5° | 179.9° |
| N7 | C8 | C10 | H10 | 1.5° | 0.1° |
| C8 | N7 | C29 | H29 | 1.0° | 180.0° |
| C8 | N7 | C29 | H29A | 121.0° | 60.0° |
| C8 | N7 | C29 | H29B | 119.0° | 60.0° |
| C8 | C9 | C28 | C27 | 130.0° | 122.6° |
| C9 | C8 | C10 | C11 | 0.1° | 0.0° |
| C9 | C8 | C10 | H10 | 179.9° | 180.0° |
| C8 | C9 | C27 | H27 | 71.0° | 176.3° |
| C8 | C9 | C27 | H27A | 49.0° | 63.7° |
| C8 | C9 | C27 | H27B | 169.0° | 56.3° |
| C8 | C9 | C28 | H28 | 72.2° | 56.3° |
| C8 | C9 | C28 | H28A | 167.8° | 63.7° |
| C8 | C9 | C28 | H28B | 47.9° | 176.3° |
| C10 | C8 | C9 | C28 | 64.5° | 61.3° |
| C10 | C8 | C9 | C27 | 63.9° | 61.3° |
| C8 | C10 | C11 | H10 | 180.0° | 180.0° |
| C8 | C10 | C11 | C12 | 176.7° | 180.0° |
| C8 | C10 | C11 | H11 | 3.3° | 0.0° |
| C28 | C9 | C27 | H27 | 57.6° | 61.1° |
| C28 | C9 | C27 | H27A | 177.6° | 58.8° |
| C28 | C9 | C27 | H27B | 62.4° | 178.9° |
| C9 | C28 | H28 | H28A | 120.0° | 120.0° |
| C9 | C28 | H28 | H28B | 120.0° | 120.0° |
| C9 | C28 | H28A | H28B | 120.0° | 120.0° |
| C9 | C27 | H27 | H27A | 120.0° | 120.0° |
| C9 | C27 | H27 | H27B | 120.0° | 120.0° |
| C9 | C27 | H27A | H27B | 120.0° | 120.1° |
| C27 | C9 | C28 | H28 | 57.8° | 178.8° |
| C27 | C9 | C28 | H28A | 62.2° | 58.8° |
| C27 | C9 | C28 | H28B | 177.8° | 61.2° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 179.4° | 180.0° |
| C10 | C11 | C12 | H12 | 0.6° | 0.0° |
| H10 | C10 | C11 | C12 | 3.2° | 0.0° |
| H10 | C10 | C11 | H11 | 176.7° | 180.0° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 176.3° | 180.0° |
| C11 | C12 | C13 | C18 | 4.6° | 0.2° |
| H11 | C11 | C12 | C13 | 0.6° | 0.0° |
| H11 | C11 | C12 | H12 | 179.4° | 180.0° |
| C12 | C13 | C14 | C18 | 179.1° | 179.7° |
| C12 | C13 | C14 | C22 | 1.1° | 0.1° |
| C12 | C13 | C14 | C15 | 179.8° | 180.0° |
| C12 | C13 | C18 | C17 | 179.3° | 179.7° |
| C12 | C13 | C18 | H18 | 0.7° | 0.0° |
| H12 | C12 | C13 | C14 | 3.7° | 0.0° |
| H12 | C12 | C13 | C18 | 175.4° | 179.7° |
| C13 | C14 | C22 | C15 | 179.1° | 179.9° |
| C13 | C14 | C15 | C19 | 179.6° | 180.0° |
| C13 | C14 | C15 | N16 | 0.8° | 0.0° |
| C14 | C13 | C18 | C17 | 0.2° | 0.5° |
| C14 | C13 | C18 | H18 | 179.8° | 179.7° |
| C13 | C14 | C22 | C21 | 179.6° | 180.0° |
| C13 | C14 | C22 | H22 | 0.5° | 0.0° |
| C18 | C13 | C14 | C22 | 179.7° | 179.8° |
| C18 | C13 | C14 | C15 | 0.7° | 0.3° |
| C13 | C18 | C17 | N16 | 0.2° | 0.5° |
| C13 | C18 | C17 | H18 | 180.0° | 179.8° |
| C13 | C18 | C17 | H17 | 179.8° | 179.7° |
| C22 | C14 | C15 | C19 | 0.5° | 0.0° |
| C22 | C14 | C15 | N16 | 179.9° | 179.9° |
| C14 | C22 | C21 | C20 | 0.1° | 0.1° |
| C14 | C22 | C21 | H22 | 180.0° | 179.9° |
| C14 | C22 | C21 | H21 | 179.8° | 179.9° |
| C14 | C15 | C19 | N16 | 179.6° | 180.0° |
| C14 | C15 | N16 | C17 | 0.4° | 0.0° |
| C14 | C15 | N16 | C23 | 179.8° | 180.0° |
| C14 | C15 | C19 | C20 | 0.1° | 0.0° |
| C14 | C15 | C19 | H19 | 179.9° | 180.0° |
| C15 | C14 | C22 | C21 | 0.5° | 0.1° |
| C15 | C14 | C22 | H22 | 179.5° | 180.0° |
| C19 | C15 | N16 | C17 | 179.9° | 179.9° |
| C19 | C15 | N16 | C23 | 0.2° | 0.0° |
| C15 | C19 | C20 | H19 | 180.0° | 179.9° |
| C15 | C19 | C20 | C21 | 0.2° | 0.0° |
| C15 | C19 | C20 | H20 | 179.7° | 180.0° |
| C15 | N16 | C17 | C23 | 179.7° | 180.0° |
| C15 | N16 | C17 | C18 | 0.1° | 0.3° |
| C15 | N16 | C17 | H17 | 179.9° | 180.0° |
| N16 | C15 | C19 | C20 | 179.7° | 180.0° |
| N16 | C15 | C19 | H19 | 0.2° | 0.1° |
| C15 | N16 | C23 | C24 | 82.2° | 85.0° |
| C15 | N16 | C23 | H23 | 157.7° | 155.0° |
| C15 | N16 | C23 | H23A | 37.9° | 35.0° |
| N16 | C17 | C18 | H17 | 180.0° | 179.7° |
| N16 | C17 | C18 | H18 | 179.8° | 179.7° |
| C17 | N16 | C23 | C24 | 97.5° | 95.0° |
| C17 | N16 | C23 | H23 | 22.6° | 25.0° |
| C17 | N16 | C23 | H23A | 142.4° | 145.0° |
| C23 | N16 | C17 | C18 | 179.7° | 179.7° |
| C23 | N16 | C17 | H17 | 0.3° | 0.0° |
| N16 | C23 | C24 | H23 | 120.1° | 120.1° |
| N16 | C23 | C24 | H23A | 120.1° | 120.0° |
| N16 | C23 | H23 | H23A | 119.7° | 120.0° |
| N16 | C23 | C24 | C25 | 170.2° | 180.0° |
| N16 | C23 | C24 | H24 | 69.4° | 60.0° |
| N16 | C23 | C24 | H24A | 49.8° | 60.1° |
| H17 | C17 | C18 | H18 | 0.2° | 0.1° |
| C19 | C20 | C21 | H20 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 0.2° | 0.1° |
| C19 | C20 | C21 | H21 | 179.8° | 179.9° |
| H19 | C19 | C20 | C21 | 179.8° | 179.9° |
| H19 | C19 | C20 | H20 | 0.3° | 0.0° |
| C20 | C21 | C22 | H21 | 180.0° | 180.0° |
| C20 | C21 | C22 | H22 | 179.9° | 180.0° |
| H20 | C20 | C21 | C22 | 179.7° | 179.9° |
| H20 | C20 | C21 | H21 | 0.2° | 0.0° |
| H21 | C21 | C22 | H22 | 0.2° | 0.0° |
| C24 | C23 | H23 | H23A | 119.7° | 120.0° |
| C23 | C24 | C25 | H24 | 120.4° | 120.0° |
| C23 | C24 | C25 | H24A | 120.4° | 120.0° |
| C23 | C24 | H24 | H24A | 118.8° | 120.0° |
| C23 | C24 | C25 | S26 | 68.2° | 180.0° |
| C23 | C24 | C25 | H25 | 171.6° | 60.0° |
| C23 | C24 | C25 | H25A | 52.0° | 60.1° |
| H23 | C23 | C24 | C25 | 50.1° | 60.0° |
| H23 | C23 | C24 | H24 | 170.5° | 179.9° |
| H23 | C23 | C24 | H24A | 70.3° | 60.0° |
| H23A | C23 | C24 | C25 | 69.7° | 60.0° |
| H23A | C23 | C24 | H24 | 50.7° | 60.0° |
| H23A | C23 | C24 | H24A | 169.9° | 179.9° |
| C25 | C24 | H24 | H24A | 118.7° | 120.0° |
| C24 | C25 | S26 | H25 | 120.2° | 120.0° |
| C24 | C25 | S26 | H25A | 120.2° | 120.0° |
| C24 | C25 | H25 | H25A | 119.4° | 120.1° |
| C24 | C25 | S26 | O31 | 33.1° | 68.4° |
| C24 | C25 | S26 | O32 | 86.7° | 68.4° |
| C24 | C25 | S26 | O30 | 152.9° | 180.0° |
| H24 | C24 | C25 | S26 | 52.2° | 60.0° |
| H24 | C24 | C25 | H25 | 68.0° | 180.0° |
| H24 | C24 | C25 | H25A | 172.4° | 59.9° |
| H24A | C24 | C25 | S26 | 171.4° | 60.0° |
| H24A | C24 | C25 | H25 | 51.2° | 59.9° |
| H24A | C24 | C25 | H25A | 68.4° | 180.0° |
| S26 | C25 | H25 | H25A | 119.4° | 119.9° |
| C25 | S26 | O31 | O32 | 119.4° | 131.6° |
| C25 | S26 | O31 | O30 | 119.8° | 111.7° |
| C25 | S26 | O32 | O30 | 119.8° | 111.7° |
| C25 | S26 | O30 | HO30 | 120.3° | 180.0° |
| H25 | C25 | S26 | O31 | 87.2° | 171.6° |
| H25 | C25 | S26 | O32 | 153.1° | 51.6° |
| H25 | C25 | S26 | O30 | 32.6° | 60.0° |
| H25A | C25 | S26 | O31 | 153.3° | 51.6° |
| H25A | C25 | S26 | O32 | 33.5° | 171.6° |
| H25A | C25 | S26 | O30 | 86.9° | 60.0° |
| O31 | S26 | O32 | O30 | 120.1° | 116.7° |
| O31 | S26 | O30 | HO30 | 0.0° | 63.9° |
| O32 | S26 | O30 | HO30 | 120.2° | 63.9° |
| H27 | C27 | H27A | H27B | 120.0° | 120.0° |
| H28 | C28 | H28A | H28B | 120.0° | 120.1° |
| H29 | C29 | H29A | H29B | 120.0° | 120.1° |
| C30 | C31 | C32 | H31 | 180.0° | 180.0° |
| C30 | C31 | C32 | H32 | 179.6° | 180.0° |
| H30 | C30 | C31 | C32 | 179.3° | 180.0° |
| H30 | C30 | C31 | H31 | 0.7° | 0.0° |
| H31 | C31 | C32 | H32 | 0.4° | 0.0° |
