DS2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.39Å | 1.37Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.41Å | Aromatic |
| C1 | O62 | sing | 1.36Å | 1.39Å | |
| O1 | C64 | sing | 1.34Å | 1.50Å | |
| C2 | C3 | sing | 1.38Å | 1.42Å | Aromatic |
| C2 | C34 | sing | 1.51Å | 1.52Å | |
| O2 | C64 | doub | 1.21Å | 1.42Å | |
| C3 | C4 | doub | 1.38Å | 1.44Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.43Å | Aromatic |
| C4 | C10 | sing | 1.51Å | 1.55Å | |
| C5 | C6 | doub | 1.38Å | 1.41Å | Aromatic |
| C10 | C11 | sing | 1.51Å | 1.55Å | |
| C10 | C12 | sing | 1.53Å | 1.56Å | |
| C10 | C13 | sing | 1.53Å | 1.59Å | |
| C11 | C26 | doub | 1.38Å | 1.42Å | Aromatic |
| C11 | C30 | sing | 1.38Å | 1.42Å | Aromatic |
| C12 | C20 | sing | 1.53Å | 1.54Å | |
| C13 | C14 | sing | 1.53Å | 1.55Å | |
| C26 | C27 | sing | 1.38Å | 1.41Å | Aromatic |
| C27 | C28 | doub | 1.39Å | 1.41Å | Aromatic |
| C27 | C38 | sing | 1.51Å | 1.56Å | |
| C28 | C29 | sing | 1.39Å | 1.42Å | Aromatic |
| C28 | O42 | sing | 1.36Å | 1.38Å | |
| C29 | C30 | doub | 1.38Å | 1.40Å | Aromatic |
| O42 | C43 | sing | 1.43Å | 1.43Å | |
| C43 | C44 | sing | 1.53Å | 1.51Å | |
| C44 | O47 | sing | 1.43Å | 1.33Å | |
| C44 | C48 | sing | 1.53Å | 1.58Å | |
| C48 | C50 | sing | 1.53Å | 1.53Å | |
| C48 | C54 | sing | 1.53Å | 1.55Å | |
| C48 | C58 | sing | 1.53Å | 1.54Å | |
| O62 | C63 | sing | 1.43Å | 1.43Å | |
| C63 | C64 | sing | 1.51Å | 1.57Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| 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 | |
| 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 | |
| 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 | |
| O47 | HO47 | sing | 0.97Å | 0.95Å | |
| C50 | H50 | sing | 1.09Å | 1.10Å | |
| C50 | H50A | sing | 1.09Å | 1.10Å | |
| C50 | H50B | sing | 1.09Å | 1.10Å | |
| C54 | H54 | sing | 1.09Å | 1.10Å | |
| C54 | H54A | sing | 1.09Å | 1.10Å | |
| C54 | H54B | sing | 1.09Å | 1.10Å | |
| C58 | H58 | sing | 1.09Å | 1.10Å | |
| C58 | H58A | sing | 1.09Å | 1.10Å | |
| C58 | H58B | sing | 1.09Å | 1.10Å | |
| C63 | H63 | sing | 1.09Å | 1.10Å | |
| C63 | H63A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 120.5° | 119.8° |
| C2 | C1 | O62 | 128.3° | 120.1° |
| C1 | C2 | C3 | 118.2° | 120.0° |
| C1 | C2 | C34 | 118.4° | 120.0° |
| C6 | C1 | O62 | 111.2° | 120.1° |
| C1 | C6 | C5 | 121.8° | 120.0° |
| C1 | C6 | H6 | 119.1° | 120.0° |
| C1 | O62 | C63 | 131.8° | 117.0° |
| O1 | C64 | O2 | 117.5° | 120.0° |
| O1 | C64 | C63 | 125.4° | 120.0° |
| C64 | O1 | HO1 | 109.5° | 117.0° |
| C3 | C2 | C34 | 123.2° | 120.0° |
| C2 | C3 | C4 | 123.7° | 120.0° |
| C2 | C3 | H3 | 118.2° | 120.0° |
| C2 | C34 | H34 | 109.5° | 109.5° |
| C2 | C34 | H34A | 109.5° | 109.5° |
| C2 | C34 | H34B | 109.5° | 109.5° |
| O2 | C64 | C63 | 117.1° | 120.0° |
| C3 | C4 | C5 | 115.9° | 120.1° |
| C3 | C4 | C10 | 119.9° | 119.9° |
| C4 | C3 | H3 | 118.2° | 120.0° |
| C5 | C4 | C10 | 124.3° | 120.0° |
| C4 | C5 | C6 | 119.9° | 120.1° |
| C4 | C5 | H5 | 120.1° | 120.0° |
| C4 | C10 | C11 | 115.8° | 109.5° |
| C4 | C10 | C12 | 115.6° | 109.5° |
| C4 | C10 | C13 | 102.1° | 109.5° |
| C6 | C5 | H5 | 120.1° | 120.0° |
| C5 | C6 | H6 | 119.1° | 120.0° |
| C11 | C10 | C12 | 100.4° | 109.5° |
| C11 | C10 | C13 | 113.3° | 109.4° |
| C10 | C11 | C26 | 120.5° | 119.9° |
| C10 | C11 | C30 | 120.6° | 120.0° |
| C12 | C10 | C13 | 110.0° | 109.5° |
| C10 | C12 | C20 | 122.5° | 109.5° |
| C10 | C12 | H12 | 105.4° | 109.4° |
| C10 | C12 | H12A | 105.3° | 109.5° |
| C10 | C13 | C14 | 118.1° | 109.5° |
| C10 | C13 | H13 | 106.7° | 109.5° |
| C10 | C13 | H13A | 106.7° | 109.5° |
| C26 | C11 | C30 | 118.6° | 120.1° |
| C11 | C26 | C27 | 123.4° | 120.0° |
| C11 | C26 | H26 | 118.3° | 120.0° |
| C11 | C30 | C29 | 119.7° | 120.1° |
| C11 | C30 | H30 | 120.2° | 120.0° |
| C20 | C12 | H12 | 105.3° | 109.4° |
| C20 | C12 | H12A | 105.3° | 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 | 106.7° | 109.5° |
| C14 | C13 | H13A | 106.7° | 109.5° |
| C13 | C14 | H14 | 109.5° | 109.5° |
| C13 | C14 | H14A | 109.4° | 109.5° |
| C13 | C14 | H14B | 109.4° | 109.5° |
| C26 | C27 | C28 | 115.5° | 120.0° |
| C26 | C27 | C38 | 122.4° | 120.0° |
| C27 | C26 | H26 | 118.3° | 120.0° |
| C28 | C27 | C38 | 122.1° | 120.0° |
| C27 | C28 | C29 | 123.2° | 119.9° |
| C27 | C28 | O42 | 114.8° | 120.1° |
| C27 | C38 | H38 | 109.5° | 109.5° |
| C27 | C38 | H38A | 109.4° | 109.4° |
| C27 | C38 | H38B | 109.4° | 109.5° |
| C29 | C28 | O42 | 122.0° | 120.0° |
| C28 | C29 | C30 | 119.4° | 119.9° |
| C28 | C29 | H29 | 120.3° | 120.0° |
| C28 | O42 | C43 | 115.4° | 117.0° |
| C30 | C29 | H29 | 120.3° | 120.0° |
| C29 | C30 | H30 | 120.1° | 119.9° |
| O42 | C43 | C44 | 109.6° | 109.4° |
| O42 | C43 | H43 | 109.4° | 109.5° |
| O42 | C43 | H43A | 109.4° | 109.5° |
| C43 | C44 | O47 | 106.3° | 109.5° |
| C43 | C44 | C48 | 110.0° | 109.4° |
| C44 | C43 | H43 | 109.5° | 109.4° |
| C44 | C43 | H43A | 109.5° | 109.4° |
| C43 | C44 | H44 | 110.5° | 109.5° |
| O47 | C44 | C48 | 107.5° | 109.5° |
| O47 | C44 | H44 | 112.9° | 109.5° |
| C44 | O47 | HO47 | 109.5° | 114.0° |
| C44 | C48 | C50 | 103.4° | 109.5° |
| C44 | C48 | C54 | 112.3° | 109.5° |
| C44 | C48 | C58 | 116.6° | 109.5° |
| C48 | C44 | H44 | 109.4° | 109.5° |
| C50 | C48 | C54 | 112.7° | 109.4° |
| C50 | C48 | C58 | 102.0° | 109.5° |
| C48 | C50 | H50 | 109.5° | 109.5° |
| C48 | C50 | H50A | 109.4° | 109.5° |
| C48 | C50 | H50B | 109.5° | 109.4° |
| C54 | C48 | C58 | 109.3° | 109.5° |
| C48 | C54 | H54 | 109.5° | 109.5° |
| C48 | C54 | H54A | 109.5° | 109.5° |
| C48 | C54 | H54B | 109.5° | 109.5° |
| C48 | C58 | H58 | 109.5° | 109.5° |
| C48 | C58 | H58A | 109.5° | 109.4° |
| C48 | C58 | H58B | 109.5° | 109.5° |
| O62 | C63 | C64 | 96.5° | 109.5° |
| O62 | C63 | H63 | 114.1° | 109.4° |
| O62 | C63 | H63A | 114.0° | 109.4° |
| C64 | C63 | H63 | 114.0° | 109.5° |
| C64 | C63 | H63A | 114.0° | 109.5° |
| H12 | C12 | H12A | 113.3° | 109.5° |
| H13 | C13 | H13A | 112.1° | 109.5° |
| H14 | C14 | H14A | 109.5° | 109.4° |
| H14 | C14 | H14B | 109.5° | 109.5° |
| H14A | C14 | H14B | 109.5° | 109.5° |
| H20 | C20 | H20A | 109.5° | 109.5° |
| H20 | C20 | H20B | 109.4° | 109.5° |
| H20A | C20 | H20B | 109.5° | 109.5° |
| H34 | C34 | H34A | 109.5° | 109.4° |
| H34 | C34 | H34B | 109.5° | 109.5° |
| H34A | C34 | H34B | 109.5° | 109.5° |
| H38 | C38 | H38A | 109.5° | 109.4° |
| H38 | C38 | H38B | 109.5° | 109.5° |
| H38A | C38 | H38B | 109.5° | 109.5° |
| H43 | C43 | H43A | 109.5° | 109.5° |
| H50 | C50 | H50A | 109.5° | 109.5° |
| H50 | C50 | H50B | 109.4° | 109.5° |
| H50A | C50 | H50B | 109.5° | 109.5° |
| H54 | C54 | H54A | 109.5° | 109.5° |
| H54 | C54 | H54B | 109.4° | 109.5° |
| H54A | C54 | H54B | 109.5° | 109.5° |
| H58 | C58 | H58A | 109.5° | 109.5° |
| H58 | C58 | H58B | 109.4° | 109.5° |
| H58A | C58 | H58B | 109.5° | 109.5° |
| H63 | C63 | H63A | 104.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | O62 | 179.5° | 179.7° |
| C1 | C2 | C3 | C34 | 175.2° | 180.0° |
| C1 | C2 | C3 | C4 | 4.0° | 0.1° |
| C2 | C1 | C6 | C5 | 0.3° | 0.0° |
| C2 | C1 | O62 | C63 | 169.2° | 180.0° |
| C1 | C2 | C3 | H3 | 176.1° | 179.9° |
| C2 | C1 | C6 | H6 | 179.7° | 180.0° |
| C1 | C2 | C34 | H34 | 92.2° | 90.0° |
| C1 | C2 | C34 | H34A | 147.8° | 150.0° |
| C1 | C2 | C34 | H34B | 27.8° | 30.0° |
| C6 | C1 | C2 | C3 | 1.6° | 0.0° |
| C6 | C1 | C2 | C34 | 177.0° | 180.0° |
| C1 | C6 | C5 | C4 | 0.0° | 0.1° |
| C1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C6 | C1 | O62 | C63 | 11.4° | 0.3° |
| C1 | C6 | C5 | H5 | 179.9° | 179.9° |
| O62 | C1 | C2 | C3 | 177.8° | 179.7° |
| O62 | C1 | C2 | C34 | 2.3° | 0.3° |
| O62 | C1 | C6 | C5 | 179.8° | 179.7° |
| C1 | O62 | C63 | C64 | 91.3° | 180.0° |
| O62 | C1 | C6 | H6 | 0.2° | 0.3° |
| C1 | O62 | C63 | H63 | 148.7° | 60.0° |
| C1 | O62 | C63 | H63A | 28.7° | 60.0° |
| O1 | C64 | O2 | C63 | 179.7° | 180.0° |
| O1 | C64 | C63 | O62 | 17.7° | 180.0° |
| O1 | C64 | C63 | H63 | 102.3° | 60.0° |
| O1 | C64 | C63 | H63A | 137.7° | 60.0° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 4.2° | 0.1° |
| C2 | C3 | C4 | C10 | 175.1° | 180.0° |
| C3 | C2 | C34 | H34 | 92.6° | 89.9° |
| C3 | C2 | C34 | H34A | 27.4° | 30.0° |
| C3 | C2 | C34 | H34B | 147.4° | 150.0° |
| C34 | C2 | C3 | C4 | 179.2° | 180.0° |
| C34 | C2 | C3 | H3 | 0.8° | 0.1° |
| C2 | C34 | H34 | H34A | 120.0° | 120.0° |
| C2 | C34 | H34 | H34B | 120.0° | 120.0° |
| C2 | C34 | H34A | H34B | 120.0° | 120.1° |
| O2 | C64 | C63 | O62 | 162.7° | 0.0° |
| O2 | C64 | O1 | HO1 | 0.0° | 0.0° |
| O2 | C64 | C63 | H63 | 77.3° | 120.0° |
| O2 | C64 | C63 | H63A | 42.7° | 120.0° |
| C3 | C4 | C5 | C10 | 179.3° | 180.0° |
| C3 | C4 | C5 | C6 | 2.1° | 0.0° |
| C3 | C4 | C10 | C11 | 34.1° | 7.8° |
| C3 | C4 | C10 | C12 | 151.1° | 127.8° |
| C3 | C4 | C10 | C13 | 89.5° | 112.2° |
| C3 | C4 | C5 | H5 | 177.9° | 180.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C5 | C4 | C10 | C11 | 146.7° | 172.2° |
| C5 | C4 | C10 | C12 | 29.7° | 52.1° |
| C5 | C4 | C10 | C13 | 89.7° | 67.9° |
| C5 | C4 | C3 | H3 | 175.9° | 179.9° |
| C4 | C5 | C6 | H6 | 180.0° | 180.0° |
| C10 | C4 | C5 | C6 | 177.2° | 180.0° |
| C4 | C10 | C11 | C12 | 125.2° | 120.0° |
| C4 | C10 | C11 | C13 | 117.5° | 120.0° |
| C4 | C10 | C12 | C13 | 114.9° | 120.0° |
| C4 | C10 | C11 | C26 | 149.0° | 55.4° |
| C4 | C10 | C11 | C30 | 36.8° | 124.9° |
| C4 | C10 | C12 | C20 | 50.9° | 54.5° |
| C4 | C10 | C13 | C14 | 66.7° | 53.6° |
| C10 | C4 | C3 | H3 | 4.8° | 0.1° |
| C10 | C4 | C5 | H5 | 2.8° | 0.0° |
| C4 | C10 | C12 | H12 | 170.9° | 65.5° |
| C4 | C10 | C12 | H12A | 69.1° | 174.5° |
| C4 | C10 | C13 | H13 | 53.3° | 173.6° |
| C4 | C10 | C13 | H13A | 173.3° | 66.4° |
| C11 | C10 | C12 | C13 | 119.7° | 119.9° |
| C10 | C11 | C26 | C30 | 174.4° | 179.7° |
| C11 | C10 | C12 | C20 | 74.5° | 65.6° |
| C11 | C10 | C13 | C14 | 58.5° | 66.4° |
| C10 | C11 | C26 | C27 | 177.2° | 180.0° |
| C10 | C11 | C30 | C29 | 174.3° | 179.7° |
| C11 | C10 | C12 | H12 | 45.5° | 174.5° |
| C11 | C10 | C12 | H12A | 165.6° | 54.5° |
| C11 | C10 | C13 | H13 | 178.5° | 53.6° |
| C11 | C10 | C13 | H13A | 61.5° | 173.6° |
| C10 | C11 | C26 | H26 | 2.8° | 0.1° |
| C10 | C11 | C30 | H30 | 5.7° | 0.0° |
| C12 | C10 | C11 | C26 | 85.8° | 64.6° |
| C12 | C10 | C11 | C30 | 88.5° | 115.1° |
| C10 | C12 | C20 | H12 | 120.0° | 120.0° |
| C10 | C12 | C20 | H12A | 120.0° | 120.1° |
| C12 | C10 | C13 | C14 | 170.0° | 173.7° |
| C10 | C12 | H12 | H12A | 114.6° | 120.0° |
| C12 | C10 | C13 | H13 | 70.0° | 66.4° |
| C12 | C10 | C13 | H13A | 50.0° | 53.7° |
| C10 | C12 | C20 | H20 | 180.0° | 174.0° |
| C10 | C12 | C20 | H20A | 60.0° | 65.9° |
| C10 | C12 | C20 | H20B | 60.0° | 54.0° |
| C13 | C10 | C11 | C26 | 31.5° | 175.4° |
| C13 | C10 | C11 | C30 | 154.2° | 4.9° |
| C13 | C10 | C12 | C20 | 165.8° | 174.5° |
| C10 | C13 | C14 | H13 | 120.0° | 120.0° |
| C10 | C13 | C14 | H13A | 120.0° | 120.0° |
| C13 | C10 | C12 | H12 | 74.2° | 54.5° |
| C13 | C10 | C12 | H12A | 45.8° | 65.5° |
| C10 | C13 | H13 | H13A | 116.4° | 120.0° |
| C10 | C13 | C14 | H14 | 180.0° | 175.4° |
| C10 | C13 | C14 | H14A | 60.0° | 55.5° |
| C10 | C13 | C14 | H14B | 60.0° | 64.6° |
| C11 | C26 | C27 | H26 | 180.0° | 179.9° |
| C11 | C26 | C27 | C28 | 3.8° | 0.1° |
| C11 | C26 | C27 | C38 | 178.8° | 180.0° |
| C26 | C11 | C30 | C29 | 0.0° | 0.6° |
| C26 | C11 | C30 | H30 | 179.9° | 179.7° |
| C30 | C11 | C26 | C27 | 2.8° | 0.3° |
| C11 | C30 | C29 | C28 | 1.6° | 0.6° |
| C11 | C30 | C29 | H30 | 180.0° | 179.7° |
| C30 | C11 | C26 | H26 | 177.2° | 179.8° |
| C11 | C30 | C29 | H29 | 178.4° | 179.7° |
| C20 | C12 | H12 | H12A | 114.6° | 120.0° |
| C12 | C20 | H20 | H20A | 120.0° | 120.0° |
| C12 | C20 | H20 | H20B | 120.0° | 120.0° |
| C12 | C20 | H20A | H20B | 120.0° | 120.0° |
| C14 | C13 | H13 | H13A | 116.5° | 120.0° |
| C13 | C14 | H14 | H14A | 120.0° | 120.0° |
| C13 | C14 | H14 | H14B | 120.0° | 120.0° |
| C13 | C14 | H14A | H14B | 120.0° | 120.1° |
| C26 | C27 | C28 | C38 | 177.4° | 180.0° |
| C26 | C27 | C28 | C29 | 2.1° | 0.0° |
| C26 | C27 | C28 | O42 | 178.0° | 180.0° |
| C26 | C27 | C38 | H38 | 88.6° | 90.0° |
| C26 | C27 | C38 | H38A | 151.4° | 150.1° |
| C26 | C27 | C38 | H38B | 31.4° | 30.1° |
| C27 | C28 | C29 | O42 | 179.9° | 180.0° |
| C27 | C28 | C29 | C30 | 0.5° | 0.3° |
| C27 | C28 | O42 | C43 | 138.2° | 180.0° |
| C28 | C27 | C26 | H26 | 176.2° | 179.9° |
| C27 | C28 | C29 | H29 | 179.5° | 180.0° |
| C28 | C27 | C38 | H38 | 88.6° | 90.0° |
| C28 | C27 | C38 | H38A | 31.4° | 30.0° |
| C28 | C27 | C38 | H38B | 151.4° | 150.0° |
| C38 | C27 | C28 | C29 | 179.5° | 180.0° |
| C38 | C27 | C28 | O42 | 0.6° | 0.0° |
| C38 | C27 | C26 | H26 | 1.2° | 0.1° |
| C27 | C38 | H38 | H38A | 120.0° | 119.9° |
| C27 | C38 | H38 | H38B | 120.0° | 120.0° |
| C27 | C38 | H38A | H38B | 120.0° | 120.0° |
| C28 | C29 | C30 | H29 | 180.0° | 179.7° |
| C29 | C28 | O42 | C43 | 41.7° | 0.0° |
| C28 | C29 | C30 | H30 | 178.4° | 179.8° |
| O42 | C28 | C29 | C30 | 179.4° | 179.7° |
| C28 | O42 | C43 | C44 | 176.0° | 180.0° |
| O42 | C28 | C29 | H29 | 0.6° | 0.0° |
| C28 | O42 | C43 | H43 | 64.0° | 60.1° |
| C28 | O42 | C43 | H43A | 56.0° | 60.0° |
| O42 | C43 | C44 | H43 | 120.0° | 120.0° |
| O42 | C43 | C44 | H43A | 120.0° | 120.0° |
| O42 | C43 | C44 | O47 | 58.2° | 65.0° |
| O42 | C43 | C44 | C48 | 174.4° | 175.0° |
| O42 | C43 | H43 | H43A | 119.9° | 120.1° |
| O42 | C43 | C44 | H44 | 64.7° | 55.0° |
| C43 | C44 | O47 | C48 | 117.8° | 120.0° |
| C43 | C44 | O47 | H44 | 121.4° | 120.0° |
| C43 | C44 | C48 | H44 | 121.6° | 120.0° |
| C43 | C44 | C48 | C50 | 165.2° | 60.0° |
| C43 | C44 | C48 | C54 | 73.0° | 180.0° |
| C43 | C44 | C48 | C58 | 54.2° | 60.0° |
| C44 | C43 | H43 | H43A | 120.0° | 120.0° |
| C43 | C44 | O47 | HO47 | 180.0° | 60.0° |
| O47 | C44 | C48 | H44 | 123.0° | 120.0° |
| O47 | C44 | C48 | C50 | 79.4° | 60.0° |
| O47 | C44 | C48 | C54 | 42.4° | 60.0° |
| O47 | C44 | C48 | C58 | 169.6° | 180.0° |
| O47 | C44 | C43 | H43 | 178.2° | 175.0° |
| O47 | C44 | C43 | H43A | 61.7° | 55.0° |
| C44 | C48 | C50 | C54 | 121.5° | 120.0° |
| C44 | C48 | C50 | C58 | 121.4° | 120.0° |
| C44 | C48 | C54 | C58 | 131.0° | 120.0° |
| C48 | C44 | C43 | H43 | 65.6° | 55.0° |
| C48 | C44 | C43 | H43A | 54.4° | 65.0° |
| C48 | C44 | O47 | HO47 | 62.2° | 60.0° |
| C44 | C48 | C50 | H50 | 180.0° | 60.0° |
| C44 | C48 | C50 | H50A | 60.0° | 180.0° |
| C44 | C48 | C50 | H50B | 60.0° | 60.0° |
| C44 | C48 | C54 | H54 | 180.0° | 60.0° |
| C44 | C48 | C54 | H54A | 60.0° | 180.0° |
| C44 | C48 | C54 | H54B | 60.0° | 60.0° |
| C44 | C48 | C58 | H58 | 180.0° | 60.0° |
| C44 | C48 | C58 | H58A | 60.0° | 180.0° |
| C44 | C48 | C58 | H58B | 60.0° | 60.0° |
| C50 | C48 | C54 | C58 | 112.7° | 120.0° |
| C50 | C48 | C44 | H44 | 43.6° | 180.0° |
| C48 | C50 | H50 | H50A | 120.0° | 120.0° |
| C48 | C50 | H50 | H50B | 120.0° | 119.9° |
| C48 | C50 | H50A | H50B | 120.0° | 120.0° |
| C50 | C48 | C54 | H54 | 63.7° | 180.0° |
| C50 | C48 | C54 | H54A | 176.3° | 60.0° |
| C50 | C48 | C54 | H54B | 56.3° | 60.0° |
| C50 | C48 | C58 | H58 | 68.2° | 60.0° |
| C50 | C48 | C58 | H58A | 51.8° | 60.0° |
| C50 | C48 | C58 | H58B | 171.8° | 180.0° |
| C54 | C48 | C44 | H44 | 165.4° | 60.0° |
| C54 | C48 | C50 | H50 | 58.5° | 60.0° |
| C54 | C48 | C50 | H50A | 61.5° | 60.0° |
| C54 | C48 | C50 | H50B | 178.4° | 180.0° |
| C48 | C54 | H54 | H54A | 120.0° | 120.0° |
| C48 | C54 | H54 | H54B | 120.0° | 120.0° |
| C48 | C54 | H54A | H54B | 120.0° | 120.0° |
| C54 | C48 | C58 | H58 | 51.3° | 180.0° |
| C54 | C48 | C58 | H58A | 171.3° | 59.9° |
| C54 | C48 | C58 | H58B | 68.7° | 60.0° |
| C58 | C48 | C44 | H44 | 67.4° | 60.0° |
| C58 | C48 | C50 | H50 | 58.6° | 180.0° |
| C58 | C48 | C50 | H50A | 178.6° | 60.0° |
| C58 | C48 | C50 | H50B | 61.4° | 60.0° |
| C58 | C48 | C54 | H54 | 49.0° | 60.0° |
| C58 | C48 | C54 | H54A | 71.0° | 60.0° |
| C58 | C48 | C54 | H54B | 169.0° | 180.0° |
| C48 | C58 | H58 | H58A | 120.0° | 120.0° |
| C48 | C58 | H58 | H58B | 120.0° | 120.0° |
| C48 | C58 | H58A | H58B | 120.0° | 120.0° |
| O62 | C63 | C64 | H63 | 120.0° | 120.0° |
| O62 | C63 | C64 | H63A | 120.0° | 120.0° |
| O62 | C63 | H63 | H63A | 125.2° | 119.9° |
| C63 | C64 | O1 | HO1 | 179.6° | 180.0° |
| C64 | C63 | H63 | H63A | 125.2° | 120.0° |
| H5 | C5 | C6 | H6 | 0.0° | 0.0° |
| H12 | C12 | C20 | H20 | 60.0° | 54.1° |
| H12 | C12 | C20 | H20A | 180.0° | 174.1° |
| H12 | C12 | C20 | H20B | 60.0° | 65.9° |
| H12A | C12 | C20 | H20 | 60.0° | 65.9° |
| H12A | C12 | C20 | H20A | 60.0° | 54.1° |
| H12A | C12 | C20 | H20B | 180.0° | 174.1° |
| H13 | C13 | C14 | H14 | 60.0° | 64.6° |
| H13 | C13 | C14 | H14A | 180.0° | 175.5° |
| H13 | C13 | C14 | H14B | 60.0° | 55.4° |
| H13A | C13 | C14 | H14 | 60.0° | 55.5° |
| H13A | C13 | C14 | H14A | 60.0° | 64.5° |
| H13A | C13 | C14 | H14B | 180.0° | 175.5° |
| H14 | C14 | H14A | H14B | 120.0° | 120.0° |
| H20 | C20 | H20A | H20B | 120.0° | 120.0° |
| H29 | C29 | C30 | H30 | 1.6° | 0.0° |
| H34 | C34 | H34A | H34B | 120.0° | 120.0° |
| H38 | C38 | H38A | H38B | 120.0° | 120.0° |
| H43 | C43 | C44 | H44 | 55.3° | 65.0° |
| H43A | C43 | C44 | H44 | 175.4° | 175.0° |
| H44 | C44 | O47 | HO47 | 58.6° | 180.0° |
| H50 | C50 | H50A | H50B | 120.0° | 120.0° |
| H54 | C54 | H54A | H54B | 120.0° | 120.0° |
| H58 | C58 | H58A | H58B | 120.0° | 120.0° |
