DS6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.39Å | 1.44Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C1 | O62 | sing | 1.36Å | 1.38Å | |
| O1 | C64 | sing | 1.43Å | 1.43Å | |
| C2 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| O2 | C16 | doub | 1.21Å | 1.25Å | |
| C3 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.44Å | Aromatic |
| C4 | C10 | sing | 1.51Å | 1.55Å | |
| C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C34 | sing | 1.51Å | 1.43Å | |
| C7 | C28 | sing | 1.51Å | 1.48Å | |
| C7 | C43 | sing | 1.53Å | 1.53Å | |
| C8 | C48 | sing | 1.53Å | 1.53Å | |
| C9 | C27 | sing | 1.51Å | 1.53Å | |
| C10 | C11 | sing | 1.51Å | 1.56Å | |
| C10 | C12 | sing | 1.53Å | 1.55Å | |
| C10 | C13 | sing | 1.53Å | 1.57Å | |
| C11 | C26 | doub | 1.38Å | 1.42Å | Aromatic |
| C11 | C30 | sing | 1.38Å | 1.44Å | Aromatic |
| C12 | C20 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C15 | C48 | sing | 1.53Å | 1.55Å | |
| C16 | C17 | sing | 1.51Å | 1.52Å | |
| C16 | O71 | sing | 1.34Å | 1.26Å | |
| C17 | C67 | sing | 1.53Å | 1.51Å | |
| C18 | C48 | sing | 1.53Å | 1.52Å | |
| C26 | C27 | sing | 1.38Å | 1.41Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.44Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.40Å | Aromatic |
| C29 | C30 | doub | 1.38Å | 1.38Å | Aromatic |
| C43 | C44 | sing | 1.53Å | 1.56Å | |
| C44 | O47 | sing | 1.43Å | 1.42Å | |
| C44 | C48 | sing | 1.53Å | 1.56Å | |
| O62 | C63 | sing | 1.43Å | 1.44Å | |
| C63 | C64 | sing | 1.53Å | 1.55Å | |
| C64 | C67 | sing | 1.53Å | 1.56Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C8 | H8B | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C9 | H9B | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C14 | H14B | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C15 | H15B | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C18 | H18B | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C20 | H20B | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H34A | sing | 1.09Å | 1.10Å | |
| C34 | H34B | 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 | |
| O47 | HO47 | sing | 0.97Å | 0.95Å | |
| C63 | H63 | sing | 1.09Å | 1.10Å | |
| C63 | H63A | sing | 1.09Å | 1.10Å | |
| C64 | H64 | sing | 1.09Å | 1.10Å | |
| C67 | H67 | sing | 1.09Å | 1.10Å | |
| C67 | H67A | sing | 1.09Å | 1.10Å | |
| O71 | HO71 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 121.0° | 119.9° |
| C2 | C1 | O62 | 128.6° | 120.1° |
| C1 | C2 | C3 | 121.1° | 119.9° |
| C1 | C2 | H2 | 119.4° | 120.1° |
| C6 | C1 | O62 | 110.4° | 120.0° |
| C1 | C6 | C5 | 116.5° | 119.9° |
| C1 | C6 | C34 | 126.2° | 120.1° |
| C1 | O62 | C63 | 118.8° | 117.0° |
| O1 | C64 | C63 | 114.4° | 109.5° |
| O1 | C64 | C67 | 114.5° | 109.4° |
| C64 | O1 | HO1 | 109.5° | 114.0° |
| O1 | C64 | H64 | 100.8° | 109.5° |
| C2 | C3 | C4 | 119.7° | 120.1° |
| C3 | C2 | H2 | 119.5° | 120.0° |
| C2 | C3 | H3 | 120.2° | 120.0° |
| O2 | C16 | C17 | 115.8° | 120.0° |
| O2 | C16 | O71 | 124.8° | 120.0° |
| C3 | C4 | C5 | 117.7° | 120.1° |
| C3 | C4 | C10 | 120.5° | 120.0° |
| C4 | C3 | H3 | 120.2° | 119.9° |
| C5 | C4 | C10 | 121.7° | 120.0° |
| C4 | C5 | C6 | 124.0° | 120.1° |
| C4 | C5 | H5 | 118.0° | 120.0° |
| C4 | C10 | C11 | 116.5° | 109.5° |
| C4 | C10 | C12 | 114.2° | 109.5° |
| C4 | C10 | C13 | 102.3° | 109.5° |
| C5 | C6 | C34 | 117.3° | 120.0° |
| C6 | C5 | H5 | 118.0° | 119.9° |
| C6 | C34 | H34 | 109.5° | 109.5° |
| C6 | C34 | H34A | 109.5° | 109.5° |
| C6 | C34 | H34B | 109.5° | 109.5° |
| C28 | C7 | C43 | 109.1° | 109.4° |
| C7 | C28 | C27 | 122.6° | 120.0° |
| C7 | C28 | C29 | 117.2° | 120.0° |
| C28 | C7 | H7 | 109.6° | 109.4° |
| C28 | C7 | H7A | 109.6° | 109.5° |
| C7 | C43 | C44 | 111.5° | 109.5° |
| C43 | C7 | H7 | 109.6° | 109.5° |
| C43 | C7 | H7A | 109.6° | 109.5° |
| C7 | C43 | H43 | 108.8° | 109.5° |
| C7 | C43 | H43A | 108.8° | 109.5° |
| C8 | C48 | C15 | 111.9° | 109.5° |
| C8 | C48 | C18 | 105.4° | 109.4° |
| C8 | C48 | C44 | 111.9° | 109.5° |
| C48 | C8 | H8 | 109.5° | 109.4° |
| C48 | C8 | H8A | 109.4° | 109.4° |
| C48 | C8 | H8B | 109.5° | 109.5° |
| C9 | C27 | C26 | 117.2° | 120.0° |
| C9 | C27 | C28 | 124.3° | 120.0° |
| C27 | C9 | H9 | 109.5° | 109.5° |
| C27 | C9 | H9A | 109.4° | 109.5° |
| C27 | C9 | H9B | 109.5° | 109.5° |
| C11 | C10 | C12 | 101.7° | 109.5° |
| C11 | C10 | C13 | 114.8° | 109.5° |
| C10 | C11 | C26 | 121.3° | 120.0° |
| C10 | C11 | C30 | 121.4° | 120.0° |
| C12 | C10 | C13 | 107.6° | 109.5° |
| C10 | C12 | C20 | 119.5° | 109.5° |
| C10 | C12 | H12 | 106.2° | 109.5° |
| C10 | C12 | H12A | 106.3° | 109.5° |
| C10 | C13 | C14 | 118.2° | 109.5° |
| C10 | C13 | H13 | 106.6° | 109.5° |
| C10 | C13 | H13A | 106.6° | 109.5° |
| C26 | C11 | C30 | 117.2° | 119.9° |
| C11 | C26 | C27 | 121.8° | 120.0° |
| C11 | C26 | H26 | 119.1° | 120.0° |
| C11 | C30 | C29 | 121.9° | 120.0° |
| C11 | C30 | H30 | 119.1° | 120.0° |
| C20 | C12 | H12 | 106.2° | 109.5° |
| C20 | C12 | H12A | 106.2° | 109.5° |
| C12 | C20 | H20 | 109.5° | 109.5° |
| C12 | C20 | H20A | 109.5° | 109.5° |
| C12 | C20 | H20B | 109.5° | 109.5° |
| C14 | C13 | H13 | 106.6° | 109.5° |
| C14 | C13 | H13A | 106.7° | 109.5° |
| C13 | C14 | H14 | 109.5° | 109.5° |
| C13 | C14 | H14A | 109.5° | 109.5° |
| C13 | C14 | H14B | 109.4° | 109.5° |
| C15 | C48 | C18 | 106.0° | 109.4° |
| C15 | C48 | C44 | 112.4° | 109.5° |
| C48 | C15 | H15 | 109.5° | 109.5° |
| C48 | C15 | H15A | 109.5° | 109.5° |
| C48 | C15 | H15B | 109.5° | 109.4° |
| C17 | C16 | O71 | 119.4° | 120.0° |
| C16 | C17 | C67 | 115.5° | 109.4° |
| C16 | C17 | H17 | 107.5° | 109.4° |
| C16 | C17 | H17A | 107.5° | 109.5° |
| C16 | O71 | HO71 | 109.5° | 117.0° |
| C17 | C67 | C64 | 114.4° | 109.4° |
| C67 | C17 | H17 | 107.5° | 109.5° |
| C67 | C17 | H17A | 107.5° | 109.5° |
| C17 | C67 | H67 | 107.8° | 109.4° |
| C17 | C67 | H67A | 107.8° | 109.5° |
| C18 | C48 | C44 | 108.9° | 109.5° |
| C48 | C18 | H18 | 109.5° | 109.5° |
| C48 | C18 | H18A | 109.5° | 109.5° |
| C48 | C18 | H18B | 109.5° | 109.4° |
| C26 | C27 | C28 | 118.4° | 120.0° |
| C27 | C26 | H26 | 119.1° | 120.0° |
| C27 | C28 | C29 | 120.1° | 120.0° |
| C28 | C29 | C30 | 120.5° | 120.0° |
| C28 | C29 | H29 | 119.7° | 120.0° |
| C30 | C29 | H29 | 119.7° | 120.0° |
| C29 | C30 | H30 | 119.1° | 120.0° |
| C43 | C44 | O47 | 109.9° | 109.5° |
| C43 | C44 | C48 | 119.2° | 109.5° |
| C44 | C43 | H43 | 108.8° | 109.5° |
| C44 | C43 | H43A | 108.8° | 109.5° |
| C43 | C44 | H44 | 101.5° | 109.5° |
| O47 | C44 | C48 | 107.6° | 109.5° |
| O47 | C44 | H44 | 114.5° | 109.4° |
| C44 | O47 | HO47 | 109.5° | 114.0° |
| C48 | C44 | H44 | 104.1° | 109.5° |
| O62 | C63 | C64 | 109.0° | 109.4° |
| O62 | C63 | H63 | 109.7° | 109.4° |
| O62 | C63 | H63A | 109.6° | 109.5° |
| C63 | C64 | C67 | 104.6° | 109.5° |
| C64 | C63 | H63 | 109.6° | 109.5° |
| C64 | C63 | H63A | 109.7° | 109.5° |
| C63 | C64 | H64 | 111.4° | 109.5° |
| C67 | C64 | H64 | 111.3° | 109.5° |
| C64 | C67 | H67 | 107.9° | 109.5° |
| C64 | C67 | H67A | 107.9° | 109.5° |
| H7 | C7 | H7A | 109.3° | 109.5° |
| H8 | C8 | H8A | 109.5° | 109.5° |
| H8 | C8 | H8B | 109.4° | 109.5° |
| H8A | C8 | H8B | 109.5° | 109.5° |
| H9 | C9 | H9A | 109.5° | 109.5° |
| H9 | C9 | H9B | 109.5° | 109.4° |
| H9A | C9 | H9B | 109.5° | 109.5° |
| H12 | C12 | H12A | 112.5° | 109.5° |
| H13 | C13 | H13A | 112.2° | 109.4° |
| H14 | C14 | H14A | 109.4° | 109.5° |
| H14 | C14 | H14B | 109.5° | 109.4° |
| H14A | C14 | H14B | 109.5° | 109.5° |
| H15 | C15 | H15A | 109.5° | 109.5° |
| H15 | C15 | H15B | 109.4° | 109.4° |
| H15A | C15 | H15B | 109.5° | 109.5° |
| H17 | C17 | H17A | 111.4° | 109.5° |
| H18 | C18 | H18A | 109.5° | 109.5° |
| H18 | C18 | H18B | 109.4° | 109.5° |
| H18A | C18 | H18B | 109.5° | 109.5° |
| H20 | C20 | H20A | 109.4° | 109.5° |
| H20 | C20 | H20B | 109.5° | 109.4° |
| H20A | C20 | H20B | 109.5° | 109.4° |
| H34 | C34 | H34A | 109.4° | 109.5° |
| H34 | C34 | H34B | 109.4° | 109.4° |
| H34A | C34 | H34B | 109.5° | 109.5° |
| H43 | C43 | H43A | 110.2° | 109.4° |
| H63 | C63 | H63A | 109.3° | 109.5° |
| H67 | C67 | H67A | 111.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | O62 | 178.3° | 179.7° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.3° | 0.0° |
| C2 | C1 | C6 | C5 | 0.9° | 0.0° |
| C2 | C1 | C6 | C34 | 178.7° | 179.9° |
| C2 | C1 | O62 | C63 | 8.2° | 0.1° |
| C1 | C2 | C3 | H3 | 179.7° | 179.9° |
| C6 | C1 | C2 | C3 | 1.0° | 0.0° |
| C1 | C6 | C5 | C4 | 0.4° | 0.0° |
| C1 | C6 | C5 | C34 | 179.7° | 179.9° |
| C6 | C1 | O62 | C63 | 173.7° | 179.7° |
| C6 | C1 | C2 | H2 | 179.0° | 180.0° |
| C1 | C6 | C5 | H5 | 179.6° | 179.9° |
| C1 | C6 | C34 | H34 | 90.2° | 90.0° |
| C1 | C6 | C34 | H34A | 149.8° | 150.0° |
| C1 | C6 | C34 | H34B | 29.7° | 29.9° |
| O62 | C1 | C2 | C3 | 179.0° | 179.7° |
| O62 | C1 | C6 | C5 | 179.2° | 179.7° |
| O62 | C1 | C6 | C34 | 0.4° | 0.2° |
| C1 | O62 | C63 | C64 | 150.0° | 180.0° |
| O62 | C1 | C2 | H2 | 1.1° | 0.3° |
| C1 | O62 | C63 | H63 | 90.0° | 60.0° |
| C1 | O62 | C63 | H63A | 30.0° | 60.0° |
| O1 | C64 | C67 | C17 | 60.0° | 65.0° |
| O1 | C64 | C63 | O62 | 63.1° | 65.0° |
| O1 | C64 | C63 | C67 | 126.2° | 119.9° |
| O1 | C64 | C63 | H64 | 113.5° | 120.0° |
| O1 | C64 | C67 | H64 | 113.5° | 120.0° |
| O1 | C64 | C63 | H63 | 176.8° | 54.9° |
| O1 | C64 | C63 | H63A | 56.9° | 174.9° |
| O1 | C64 | C67 | H67 | 180.0° | 175.0° |
| O1 | C64 | C67 | H67A | 60.0° | 55.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 1.5° | 0.0° |
| C2 | C3 | C4 | C10 | 174.4° | 180.0° |
| O2 | C16 | C17 | O71 | 179.1° | 180.0° |
| O2 | C16 | C17 | C67 | 174.4° | 0.0° |
| O2 | C16 | C17 | H17 | 65.6° | 120.0° |
| O2 | C16 | C17 | H17A | 54.4° | 120.0° |
| O2 | C16 | O71 | HO71 | 0.0° | 0.0° |
| C3 | C4 | C5 | C10 | 175.9° | 179.9° |
| C3 | C4 | C5 | C6 | 1.6° | 0.0° |
| C3 | C4 | C10 | C11 | 149.0° | 7.9° |
| C3 | C4 | C10 | C12 | 30.9° | 127.9° |
| C3 | C4 | C10 | C13 | 85.1° | 112.1° |
| C4 | C3 | C2 | H2 | 179.7° | 180.0° |
| C3 | C4 | C5 | H5 | 178.4° | 179.9° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | C34 | 180.0° | 179.9° |
| C5 | C4 | C10 | C11 | 35.2° | 172.2° |
| C5 | C4 | C10 | C12 | 153.3° | 52.2° |
| C5 | C4 | C10 | C13 | 90.7° | 67.8° |
| C5 | C4 | C3 | H3 | 178.5° | 179.9° |
| C10 | C4 | C5 | C6 | 174.3° | 180.0° |
| C4 | C10 | C11 | C12 | 124.8° | 120.0° |
| C4 | C10 | C11 | C13 | 119.4° | 120.0° |
| C4 | C10 | C12 | C13 | 112.8° | 120.0° |
| C4 | C10 | C11 | C26 | 144.1° | 55.3° |
| C4 | C10 | C11 | C30 | 38.8° | 124.9° |
| C4 | C10 | C12 | C20 | 54.4° | 54.4° |
| C4 | C10 | C13 | C14 | 70.8° | 53.6° |
| C10 | C4 | C3 | H3 | 5.6° | 0.0° |
| C10 | C4 | C5 | H5 | 5.7° | 0.0° |
| C4 | C10 | C12 | H12 | 174.4° | 65.6° |
| C4 | C10 | C12 | H12A | 65.6° | 174.5° |
| C4 | C10 | C13 | H13 | 49.2° | 173.6° |
| C4 | C10 | C13 | H13A | 169.2° | 66.4° |
| C5 | C6 | C34 | H34 | 90.1° | 90.1° |
| C5 | C6 | C34 | H34A | 29.8° | 29.9° |
| C5 | C6 | C34 | H34B | 149.9° | 150.0° |
| C34 | C6 | C5 | H5 | 0.0° | 0.2° |
| C6 | C34 | H34 | H34A | 120.0° | 120.0° |
| C6 | C34 | H34 | H34B | 120.0° | 120.0° |
| C6 | C34 | H34A | H34B | 120.0° | 120.0° |
| C28 | C7 | C43 | H7 | 120.0° | 120.0° |
| C28 | C7 | C43 | H7A | 120.0° | 120.0° |
| C7 | C28 | C27 | C9 | 4.9° | 0.0° |
| C7 | C28 | C27 | C26 | 177.4° | 180.0° |
| C7 | C28 | C27 | C29 | 176.5° | 179.9° |
| C7 | C28 | C29 | C30 | 178.3° | 179.8° |
| C28 | C7 | C43 | C44 | 176.9° | 180.0° |
| C28 | C7 | H7 | H7A | 120.2° | 120.0° |
| C7 | C28 | C29 | H29 | 1.7° | 0.0° |
| C28 | C7 | C43 | H43 | 63.1° | 60.0° |
| C28 | C7 | C43 | H43A | 56.9° | 60.0° |
| C43 | C7 | C28 | C27 | 111.4° | 85.0° |
| C43 | C7 | C28 | C29 | 72.1° | 95.0° |
| C7 | C43 | C44 | H43 | 120.0° | 120.0° |
| C7 | C43 | C44 | H43A | 120.0° | 120.0° |
| C7 | C43 | C44 | O47 | 70.7° | 65.0° |
| C7 | C43 | C44 | C48 | 164.4° | 175.0° |
| C43 | C7 | H7 | H7A | 120.2° | 120.0° |
| C7 | C43 | H43 | H43A | 119.1° | 120.0° |
| C7 | C43 | C44 | H44 | 50.9° | 55.0° |
| C8 | C48 | C15 | C18 | 114.4° | 120.0° |
| C8 | C48 | C15 | C44 | 126.8° | 120.0° |
| C8 | C48 | C18 | C44 | 120.2° | 120.0° |
| C8 | C48 | C44 | C43 | 169.2° | 60.0° |
| C8 | C48 | C44 | O47 | 64.8° | 60.0° |
| C48 | C8 | H8 | H8A | 120.0° | 119.9° |
| C48 | C8 | H8 | H8B | 120.0° | 120.0° |
| C48 | C8 | H8A | H8B | 120.0° | 120.0° |
| C8 | C48 | C15 | H15 | 180.0° | 59.9° |
| C8 | C48 | C15 | H15A | 60.0° | 180.0° |
| C8 | C48 | C15 | H15B | 60.0° | 60.0° |
| C8 | C48 | C18 | H18 | 180.0° | 60.0° |
| C8 | C48 | C18 | H18A | 60.0° | 180.0° |
| C8 | C48 | C18 | H18B | 60.0° | 60.0° |
| C8 | C48 | C44 | H44 | 57.1° | 180.0° |
| C9 | C27 | C26 | C11 | 179.2° | 180.0° |
| C9 | C27 | C26 | C28 | 177.8° | 180.0° |
| C9 | C27 | C28 | C29 | 178.6° | 180.0° |
| C27 | C9 | H9 | H9A | 120.0° | 120.1° |
| C27 | C9 | H9 | H9B | 120.0° | 120.0° |
| C27 | C9 | H9A | H9B | 120.0° | 120.1° |
| C9 | C27 | C26 | H26 | 0.8° | 0.0° |
| C11 | C10 | C12 | C13 | 120.9° | 120.0° |
| C10 | C11 | C26 | C30 | 177.3° | 179.7° |
| C11 | C10 | C12 | C20 | 71.9° | 65.6° |
| C11 | C10 | C13 | C14 | 56.2° | 66.4° |
| C10 | C11 | C26 | C27 | 174.8° | 180.0° |
| C10 | C11 | C30 | C29 | 174.1° | 179.7° |
| C11 | C10 | C12 | H12 | 48.1° | 174.4° |
| C11 | C10 | C12 | H12A | 168.1° | 54.5° |
| C11 | C10 | C13 | H13 | 176.2° | 53.6° |
| C11 | C10 | C13 | H13A | 63.8° | 173.6° |
| C10 | C11 | C26 | H26 | 5.2° | 0.0° |
| C10 | C11 | C30 | H30 | 5.9° | 0.0° |
| C12 | C10 | C11 | C26 | 91.1° | 64.6° |
| C12 | C10 | C11 | C30 | 86.0° | 115.1° |
| C10 | C12 | C20 | H12 | 120.0° | 120.0° |
| C10 | C12 | C20 | H12A | 120.0° | 120.0° |
| C12 | C10 | C13 | C14 | 168.5° | 173.6° |
| C10 | C12 | H12 | H12A | 115.9° | 120.0° |
| C12 | C10 | C13 | H13 | 71.5° | 66.4° |
| C12 | C10 | C13 | H13A | 48.6° | 53.6° |
| C10 | C12 | C20 | H20 | 180.0° | 65.9° |
| C10 | C12 | C20 | H20A | 60.0° | 54.1° |
| C10 | C12 | C20 | H20B | 60.0° | 174.1° |
| C13 | C10 | C11 | C26 | 24.7° | 175.4° |
| C13 | C10 | C11 | C30 | 158.1° | 4.9° |
| C13 | C10 | C12 | C20 | 167.2° | 174.5° |
| C10 | C13 | C14 | H13 | 120.0° | 120.0° |
| C10 | C13 | C14 | H13A | 120.0° | 120.0° |
| C13 | C10 | C12 | H12 | 72.8° | 54.5° |
| C13 | C10 | C12 | H12A | 47.2° | 65.5° |
| C10 | C13 | H13 | H13A | 116.4° | 120.0° |
| C10 | C13 | C14 | H14 | 180.0° | 64.5° |
| C10 | C13 | C14 | H14A | 60.0° | 175.5° |
| C10 | C13 | C14 | H14B | 60.0° | 55.5° |
| C11 | C26 | C27 | H26 | 180.0° | 180.0° |
| C11 | C26 | C27 | C28 | 1.4° | 0.0° |
| C26 | C11 | C30 | C29 | 3.2° | 0.5° |
| C26 | C11 | C30 | H30 | 176.8° | 179.7° |
| C30 | C11 | C26 | C27 | 2.4° | 0.3° |
| C11 | C30 | C29 | C28 | 2.8° | 0.5° |
| C11 | C30 | C29 | H30 | 180.0° | 179.8° |
| C30 | C11 | C26 | H26 | 177.6° | 179.7° |
| C11 | C30 | C29 | H29 | 177.2° | 179.7° |
| C20 | C12 | H12 | H12A | 115.8° | 120.0° |
| C12 | C20 | H20 | H20A | 120.0° | 120.1° |
| C12 | C20 | H20 | H20B | 120.0° | 120.0° |
| C12 | C20 | H20A | H20B | 120.0° | 120.0° |
| C14 | C13 | H13 | H13A | 116.4° | 120.0° |
| C13 | C14 | H14 | H14A | 120.0° | 120.0° |
| C13 | C14 | H14 | H14B | 120.0° | 120.0° |
| C13 | C14 | H14A | H14B | 120.0° | 120.0° |
| C15 | C48 | C18 | C44 | 121.1° | 120.0° |
| C15 | C48 | C44 | C43 | 64.0° | 60.0° |
| C15 | C48 | C44 | O47 | 62.0° | 180.0° |
| C15 | C48 | C8 | H8 | 180.0° | 60.0° |
| C15 | C48 | C8 | H8A | 60.0° | 180.0° |
| C15 | C48 | C8 | H8B | 60.0° | 60.0° |
| C48 | C15 | H15 | H15A | 120.0° | 120.0° |
| C48 | C15 | H15 | H15B | 120.0° | 120.0° |
| C48 | C15 | H15A | H15B | 120.0° | 120.0° |
| C15 | C48 | C18 | H18 | 61.3° | 180.0° |
| C15 | C48 | C18 | H18A | 58.8° | 60.0° |
| C15 | C48 | C18 | H18B | 178.8° | 60.0° |
| C15 | C48 | C44 | H44 | 176.1° | 60.0° |
| C16 | C17 | C67 | H17 | 120.0° | 119.9° |
| C16 | C17 | C67 | H17A | 120.0° | 120.0° |
| C16 | C17 | C67 | C64 | 77.1° | 180.0° |
| C16 | C17 | H17 | H17A | 117.6° | 120.0° |
| C16 | C17 | C67 | H67 | 162.9° | 60.0° |
| C16 | C17 | C67 | H67A | 42.9° | 60.0° |
| C17 | C16 | O71 | HO71 | 179.0° | 180.0° |
| O71 | C16 | C17 | C67 | 6.5° | 180.0° |
| O71 | C16 | C17 | H17 | 113.5° | 60.0° |
| O71 | C16 | C17 | H17A | 126.5° | 60.0° |
| C17 | C67 | C64 | C63 | 173.9° | 175.0° |
| C17 | C67 | C64 | H67 | 120.0° | 119.9° |
| C17 | C67 | C64 | H67A | 120.0° | 120.0° |
| C67 | C17 | H17 | H17A | 117.5° | 120.1° |
| C17 | C67 | C64 | H64 | 53.5° | 55.0° |
| C17 | C67 | H67 | H67A | 117.9° | 120.0° |
| C18 | C48 | C44 | C43 | 53.1° | 180.0° |
| C18 | C48 | C44 | O47 | 179.1° | 60.0° |
| C18 | C48 | C8 | H8 | 65.3° | 180.0° |
| C18 | C48 | C8 | H8A | 54.7° | 60.0° |
| C18 | C48 | C8 | H8B | 174.7° | 60.0° |
| C18 | C48 | C15 | H15 | 65.6° | 60.0° |
| C18 | C48 | C15 | H15A | 174.4° | 60.0° |
| C18 | C48 | C15 | H15B | 54.4° | 180.0° |
| C48 | C18 | H18 | H18A | 120.0° | 120.0° |
| C48 | C18 | H18 | H18B | 120.0° | 120.0° |
| C48 | C18 | H18A | H18B | 120.0° | 120.0° |
| C18 | C48 | C44 | H44 | 59.0° | 60.0° |
| C26 | C27 | C28 | C29 | 0.9° | 0.0° |
| C26 | C27 | C9 | H9 | 91.0° | 89.9° |
| C26 | C27 | C9 | H9A | 149.0° | 150.0° |
| C26 | C27 | C9 | H9B | 29.0° | 30.0° |
| C27 | C28 | C29 | C30 | 1.7° | 0.3° |
| C27 | C28 | C7 | H7 | 8.6° | 155.0° |
| C27 | C28 | C7 | H7A | 128.6° | 35.0° |
| C28 | C27 | C9 | H9 | 91.3° | 90.1° |
| C28 | C27 | C9 | H9A | 28.7° | 30.0° |
| C28 | C27 | C9 | H9B | 148.7° | 150.0° |
| C28 | C27 | C26 | H26 | 178.6° | 180.0° |
| C27 | C28 | C29 | H29 | 178.3° | 180.0° |
| C28 | C29 | C30 | H29 | 180.0° | 179.8° |
| C29 | C28 | C7 | H7 | 167.9° | 24.9° |
| C29 | C28 | C7 | H7A | 47.9° | 145.0° |
| C28 | C29 | C30 | H30 | 177.2° | 179.7° |
| C43 | C44 | O47 | C48 | 131.3° | 120.0° |
| C43 | C44 | O47 | H44 | 113.5° | 120.0° |
| C43 | C44 | C48 | H44 | 112.1° | 120.0° |
| C44 | C43 | C7 | H7 | 57.0° | 60.0° |
| C44 | C43 | C7 | H7A | 63.0° | 60.0° |
| C44 | C43 | H43 | H43A | 119.2° | 120.0° |
| C43 | C44 | O47 | HO47 | 180.0° | 60.0° |
| O47 | C44 | C48 | H44 | 121.9° | 119.9° |
| O47 | C44 | C43 | H43 | 169.3° | 175.0° |
| O47 | C44 | C43 | H43A | 49.3° | 55.0° |
| C44 | C48 | C8 | H8 | 52.9° | 60.0° |
| C44 | C48 | C8 | H8A | 172.9° | 60.0° |
| C44 | C48 | C8 | H8B | 67.1° | 180.0° |
| C44 | C48 | C15 | H15 | 53.2° | 180.0° |
| C44 | C48 | C15 | H15A | 66.8° | 60.0° |
| C44 | C48 | C15 | H15B | 173.2° | 60.0° |
| C44 | C48 | C18 | H18 | 59.8° | 60.0° |
| C44 | C48 | C18 | H18A | 179.8° | 60.0° |
| C44 | C48 | C18 | H18B | 60.2° | 180.0° |
| C48 | C44 | C43 | H43 | 44.4° | 55.0° |
| C48 | C44 | C43 | H43A | 75.6° | 65.0° |
| C48 | C44 | O47 | HO47 | 48.7° | 60.0° |
| O62 | C63 | C64 | H63 | 120.0° | 120.0° |
| O62 | C63 | C64 | H63A | 120.0° | 120.0° |
| O62 | C63 | C64 | C67 | 63.0° | 175.0° |
| O62 | C63 | H63 | H63A | 120.2° | 120.0° |
| O62 | C63 | C64 | H64 | 176.6° | 55.0° |
| C63 | C64 | C67 | H64 | 120.4° | 120.0° |
| C63 | C64 | O1 | HO1 | 180.0° | 59.9° |
| C64 | C63 | H63 | H63A | 120.2° | 120.0° |
| C63 | C64 | C67 | H67 | 53.9° | 55.1° |
| C63 | C64 | C67 | H67A | 66.1° | 65.0° |
| C67 | C64 | O1 | HO1 | 59.2° | 60.0° |
| C64 | C67 | C17 | H17 | 42.9° | 60.1° |
| C64 | C67 | C17 | H17A | 162.9° | 60.0° |
| C67 | C64 | C63 | H63 | 57.0° | 65.0° |
| C67 | C64 | C63 | H63A | 177.0° | 55.0° |
| C64 | C67 | H67 | H67A | 118.0° | 120.0° |
| HO1 | O1 | C64 | H64 | 60.3° | 180.0° |
| H2 | C2 | C3 | H3 | 0.3° | 0.0° |
| H7 | C7 | C43 | H43 | 177.0° | 179.9° |
| H7 | C7 | C43 | H43A | 63.0° | 60.0° |
| H7A | C7 | C43 | H43 | 57.0° | 60.0° |
| H7A | C7 | C43 | H43A | 177.0° | 180.0° |
| H8 | C8 | H8A | H8B | 120.0° | 120.1° |
| H9 | C9 | H9A | H9B | 120.0° | 119.9° |
| H12 | C12 | C20 | H20 | 60.0° | 174.0° |
| H12 | C12 | C20 | H20A | 180.0° | 65.9° |
| H12 | C12 | C20 | H20B | 60.0° | 54.1° |
| H12A | C12 | C20 | H20 | 60.0° | 54.1° |
| H12A | C12 | C20 | H20A | 60.0° | 174.1° |
| H12A | C12 | C20 | H20B | 180.0° | 65.9° |
| H13 | C13 | C14 | H14 | 60.0° | 55.5° |
| H13 | C13 | C14 | H14A | 180.0° | 64.5° |
| H13 | C13 | C14 | H14B | 60.0° | 175.5° |
| H13A | C13 | C14 | H14 | 60.0° | 175.5° |
| H13A | C13 | C14 | H14A | 60.0° | 55.5° |
| H13A | C13 | C14 | H14B | 180.0° | 64.5° |
| H14 | C14 | H14A | H14B | 120.0° | 120.0° |
| H15 | C15 | H15A | H15B | 120.0° | 120.0° |
| H17 | C17 | C67 | H67 | 77.1° | 180.0° |
| H17 | C17 | C67 | H67A | 162.9° | 59.9° |
| H17A | C17 | C67 | H67 | 42.9° | 60.0° |
| H17A | C17 | C67 | H67A | 77.1° | NaN° |
| H18 | C18 | H18A | H18B | 119.9° | 120.0° |
| H20 | C20 | H20A | H20B | 120.0° | 119.9° |
| H29 | C29 | C30 | H30 | 2.8° | 0.1° |
| H34 | C34 | H34A | H34B | 120.0° | 120.0° |
| H43 | C43 | C44 | H44 | 69.1° | 65.0° |
| H43A | C43 | C44 | H44 | 170.9° | 175.0° |
| H44 | C44 | O47 | HO47 | 66.5° | 180.0° |
| H63 | C63 | C64 | H64 | 63.3° | 175.0° |
| H63A | C63 | C64 | H64 | 56.6° | 65.0° |
| H64 | C64 | C67 | H67 | 66.5° | 65.0° |
| H64 | C64 | C67 | H67A | 173.5° | 175.0° |
