VDZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | sing | 1.43Å | 1.45Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C1 | C2 | sing | 1.51Å | 1.47Å | |
| C1 | C10 | sing | 1.53Å | 1.56Å | |
| C1 | H1 | sing | 1.09Å | 1.12Å | |
| C2 | C28 | doub | 1.31Å | 1.32Å | |
| C2 | C3 | sing | 1.51Å | 1.51Å | |
| C28 | H281 | sing | 1.08Å | 1.10Å | |
| C28 | H282 | sing | 1.08Å | 1.10Å | |
| C3 | O2 | sing | 1.43Å | 1.50Å | |
| C3 | C4 | sing | 1.53Å | 1.50Å | |
| C3 | H3 | sing | 1.09Å | 1.11Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C4 | C5 | sing | 1.51Å | 1.49Å | |
| C4 | H41 | sing | 1.09Å | 1.11Å | |
| C4 | H42 | sing | 1.09Å | 1.11Å | |
| C10 | C5 | sing | 1.51Å | 1.55Å | |
| C10 | H101 | sing | 1.09Å | 1.12Å | |
| C10 | H102 | sing | 1.09Å | 1.11Å | |
| C5 | C6 | doub | 1.33Å | 1.41Å | |
| C6 | C7 | sing | 1.47Å | 1.49Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C7 | C8 | doub | 1.33Å | 1.32Å | |
| C7 | H7 | sing | 1.08Å | 1.10Å | |
| C8 | C9 | sing | 1.52Å | 1.50Å | |
| C8 | C14 | sing | 1.50Å | 1.51Å | |
| C9 | C11 | sing | 1.53Å | 1.55Å | |
| C9 | H91 | sing | 1.09Å | 1.12Å | |
| C9 | H92 | sing | 1.09Å | 1.12Å | |
| C11 | C12 | sing | 1.54Å | 1.55Å | |
| C11 | H111 | sing | 1.09Å | 1.11Å | |
| C11 | H112 | sing | 1.09Å | 1.11Å | |
| C14 | C13 | sing | 1.56Å | 1.60Å | |
| C14 | C15 | sing | 1.53Å | 1.51Å | |
| C14 | H14 | sing | 1.09Å | 1.11Å | |
| C13 | C12 | sing | 1.51Å | 1.54Å | |
| C13 | C18 | sing | 1.53Å | 1.62Å | |
| C13 | C17 | sing | 1.52Å | 1.53Å | |
| C12 | H121 | sing | 1.09Å | 1.11Å | |
| C12 | H122 | sing | 1.09Å | 1.11Å | |
| C18 | H181 | sing | 1.09Å | 1.11Å | |
| C18 | H182 | sing | 1.09Å | 1.11Å | |
| C18 | H183 | sing | 1.09Å | 1.12Å | |
| C15 | C16 | sing | 1.55Å | 1.56Å | |
| C15 | H151 | sing | 1.09Å | 1.12Å | |
| C15 | H152 | sing | 1.09Å | 1.12Å | |
| C16 | C17 | sing | 1.55Å | 1.57Å | |
| C16 | H161 | sing | 1.09Å | 1.12Å | |
| C16 | H162 | sing | 1.09Å | 1.11Å | |
| C17 | C20 | sing | 1.53Å | 1.52Å | |
| C17 | H17 | sing | 1.09Å | 1.11Å | |
| C20 | C21 | sing | 1.53Å | 1.55Å | |
| C20 | C22 | sing | 1.53Å | 1.55Å | |
| C20 | H20 | sing | 1.09Å | 1.12Å | |
| C21 | H211 | sing | 1.09Å | 1.11Å | |
| C21 | H212 | sing | 1.09Å | 1.12Å | |
| C21 | H213 | sing | 1.09Å | 1.11Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C22 | H221 | sing | 1.09Å | 1.11Å | |
| C22 | H222 | sing | 1.09Å | 1.11Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C23 | H231 | sing | 1.09Å | 1.12Å | |
| C23 | H232 | sing | 1.09Å | 1.11Å | |
| C24 | C25 | sing | 1.53Å | 1.56Å | |
| C24 | H241 | sing | 1.09Å | 1.11Å | |
| C24 | H242 | sing | 1.09Å | 1.11Å | |
| C25 | C26 | sing | 1.53Å | 1.50Å | |
| C25 | C27 | sing | 1.53Å | 1.56Å | |
| C25 | O3 | sing | 1.43Å | 1.40Å | |
| C26 | H261 | sing | 1.09Å | 1.11Å | |
| C26 | H262 | sing | 1.09Å | 1.11Å | |
| C26 | H263 | sing | 1.09Å | 1.12Å | |
| C27 | H271 | sing | 1.09Å | 1.11Å | |
| C27 | H272 | sing | 1.09Å | 1.12Å | |
| C27 | H273 | sing | 1.09Å | 1.12Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O1 | HO1 | 117.5° | 113.9° |
| O1 | C1 | C2 | 117.5° | 109.6° |
| O1 | C1 | C10 | 110.4° | 109.6° |
| O1 | C1 | H1 | 101.5° | 109.6° |
| C2 | C1 | C10 | 104.0° | 108.6° |
| C2 | C1 | H1 | 108.3° | 109.6° |
| C1 | C2 | C28 | 120.1° | 120.6° |
| C1 | C2 | C3 | 122.5° | 118.9° |
| C10 | C1 | H1 | 115.6° | 109.8° |
| C1 | C10 | C5 | 118.2° | 108.6° |
| C1 | C10 | H101 | 109.1° | 109.6° |
| C1 | C10 | H102 | 109.0° | 109.5° |
| C28 | C2 | C3 | 117.3° | 120.6° |
| C2 | C28 | H281 | 117.3° | 120.0° |
| C2 | C28 | H282 | 120.0° | 120.0° |
| C2 | C3 | O2 | 98.0° | 109.6° |
| C2 | C3 | C4 | 115.9° | 108.6° |
| C2 | C3 | H3 | 111.7° | 109.6° |
| H281 | C28 | H282 | 122.6° | 120.0° |
| O2 | C3 | C4 | 105.3° | 109.7° |
| O2 | C3 | H3 | 121.3° | 109.6° |
| C3 | O2 | HO2 | 98.0° | 114.0° |
| C4 | C3 | H3 | 105.1° | 109.7° |
| C3 | C4 | C5 | 113.9° | 108.6° |
| C3 | C4 | H41 | 110.6° | 109.6° |
| C3 | C4 | H42 | 110.6° | 109.6° |
| C5 | C4 | H41 | 110.6° | 109.6° |
| C5 | C4 | H42 | 110.6° | 109.6° |
| C4 | C5 | C10 | 117.7° | 118.9° |
| C4 | C5 | C6 | 113.1° | 120.6° |
| H41 | C4 | H42 | 99.7° | 109.7° |
| C5 | C10 | H101 | 109.1° | 109.7° |
| C5 | C10 | H102 | 109.1° | 109.6° |
| C10 | C5 | C6 | 129.2° | 120.6° |
| H101 | C10 | H102 | 101.0° | 109.7° |
| C5 | C6 | C7 | 122.6° | 120.0° |
| C5 | C6 | H6 | 115.7° | 120.0° |
| C7 | C6 | H6 | 121.6° | 120.0° |
| C6 | C7 | C8 | 124.3° | 120.0° |
| C6 | C7 | H7 | 124.7° | 120.0° |
| C8 | C7 | H7 | 111.0° | 120.0° |
| C7 | C8 | C9 | 122.1° | 122.4° |
| C7 | C8 | C14 | 117.6° | 122.4° |
| C9 | C8 | C14 | 120.1° | 115.2° |
| C8 | C9 | C11 | 107.2° | 110.7° |
| C8 | C9 | H91 | 113.0° | 109.3° |
| C8 | C9 | H92 | 113.0° | 109.2° |
| C8 | C14 | C13 | 106.0° | 105.5° |
| C8 | C14 | C15 | 126.1° | 116.7° |
| C8 | C14 | H14 | 99.8° | 110.7° |
| C11 | C9 | H91 | 113.1° | 109.3° |
| C11 | C9 | H92 | 113.1° | 109.2° |
| C9 | C11 | C12 | 116.4° | 111.7° |
| C9 | C11 | H111 | 109.7° | 109.0° |
| C9 | C11 | H112 | 109.7° | 109.0° |
| H91 | C9 | H92 | 97.4° | 109.2° |
| C12 | C11 | H111 | 109.7° | 109.0° |
| C12 | C11 | H112 | 109.7° | 109.1° |
| C11 | C12 | C13 | 111.8° | 107.3° |
| C11 | C12 | H121 | 111.4° | 109.8° |
| C11 | C12 | H122 | 111.3° | 109.8° |
| H111 | C11 | H112 | 100.5° | 109.0° |
| C13 | C14 | C15 | 108.9° | 101.2° |
| C13 | C14 | H14 | 120.5° | 110.9° |
| C14 | C13 | C12 | 114.3° | 107.6° |
| C14 | C13 | C18 | 107.6° | 109.2° |
| C14 | C13 | C17 | 98.7° | 103.2° |
| C15 | C14 | H14 | 96.3° | 111.2° |
| C14 | C15 | C16 | 102.8° | 102.8° |
| C14 | C15 | H151 | 114.8° | 110.7° |
| C14 | C15 | H152 | 114.8° | 110.7° |
| C12 | C13 | C18 | 105.6° | 109.4° |
| C12 | C13 | C17 | 122.3° | 118.2° |
| C13 | C12 | H121 | 111.3° | 110.1° |
| C13 | C12 | H122 | 111.3° | 109.7° |
| C18 | C13 | C17 | 107.5° | 108.8° |
| C13 | C18 | H181 | 107.6° | 109.5° |
| C13 | C18 | H182 | 112.9° | 109.5° |
| C13 | C18 | H183 | 112.9° | 109.5° |
| C13 | C17 | C16 | 107.6° | 105.1° |
| C13 | C17 | C20 | 121.2° | 110.3° |
| C13 | C17 | H17 | 102.2° | 110.3° |
| H121 | C12 | H122 | 99.0° | 110.0° |
| H181 | C18 | H182 | 113.0° | 109.5° |
| H181 | C18 | H183 | 112.9° | 109.5° |
| H182 | C18 | H183 | 97.5° | 109.4° |
| C16 | C15 | H151 | 114.7° | 110.7° |
| C16 | C15 | H152 | 114.8° | 110.8° |
| C15 | C16 | C17 | 107.1° | 106.3° |
| C15 | C16 | H161 | 113.1° | 110.1° |
| C15 | C16 | H162 | 113.1° | 110.0° |
| H151 | C15 | H152 | 95.7° | 110.8° |
| C17 | C16 | H161 | 113.1° | 110.1° |
| C17 | C16 | H162 | 113.1° | 110.1° |
| C16 | C17 | C20 | 108.6° | 110.3° |
| C16 | C17 | H17 | 116.4° | 110.3° |
| H161 | C16 | H162 | 97.3° | 110.1° |
| C20 | C17 | H17 | 101.1° | 110.4° |
| C17 | C20 | C21 | 104.4° | 109.5° |
| C17 | C20 | C22 | 116.4° | 109.5° |
| C17 | C20 | H20 | 110.2° | 109.5° |
| C21 | C20 | C22 | 114.4° | 109.5° |
| C21 | C20 | H20 | 112.3° | 109.5° |
| C20 | C21 | H211 | 104.4° | 109.5° |
| C20 | C21 | H212 | 114.1° | 109.5° |
| C20 | C21 | H213 | 114.2° | 109.5° |
| C22 | C20 | H20 | 99.3° | 109.5° |
| C20 | C22 | C23 | 111.3° | 109.4° |
| C20 | C22 | H221 | 111.5° | 109.4° |
| C20 | C22 | H222 | 111.5° | 109.5° |
| H211 | C21 | H212 | 114.1° | 109.4° |
| H211 | C21 | H213 | 114.2° | 109.5° |
| H212 | C21 | H213 | 96.3° | 109.5° |
| C23 | C22 | H221 | 111.5° | 109.5° |
| C23 | C22 | H222 | 111.5° | 109.5° |
| C22 | C23 | C24 | 115.3° | 109.5° |
| C22 | C23 | H231 | 110.1° | 109.5° |
| C22 | C23 | H232 | 110.1° | 109.5° |
| H221 | C22 | H222 | 98.9° | 109.5° |
| C24 | C23 | H231 | 110.1° | 109.5° |
| C24 | C23 | H232 | 110.1° | 109.4° |
| C23 | C24 | C25 | 113.8° | 109.5° |
| C23 | C24 | H241 | 110.6° | 109.5° |
| C23 | C24 | H242 | 110.6° | 109.4° |
| H231 | C23 | H232 | 100.2° | 109.5° |
| C25 | C24 | H241 | 110.6° | 109.5° |
| C25 | C24 | H242 | 110.6° | 109.5° |
| C24 | C25 | C26 | 105.1° | 109.5° |
| C24 | C25 | C27 | 116.4° | 109.5° |
| C24 | C25 | O3 | 108.8° | 109.5° |
| H241 | C24 | H242 | 99.7° | 109.4° |
| C26 | C25 | C27 | 113.1° | 109.5° |
| C26 | C25 | O3 | 107.6° | 109.4° |
| C25 | C26 | H261 | 105.0° | 109.5° |
| C25 | C26 | H262 | 113.9° | 109.5° |
| C25 | C26 | H263 | 113.8° | 109.5° |
| C27 | C25 | O3 | 105.6° | 109.5° |
| C25 | C27 | H271 | 116.4° | 109.5° |
| C25 | C27 | H272 | 109.7° | 109.5° |
| C25 | C27 | H273 | 109.7° | 109.5° |
| C25 | O3 | HO3 | 108.8° | 114.0° |
| H261 | C26 | H262 | 113.9° | 109.4° |
| H261 | C26 | H263 | 113.9° | 109.5° |
| H262 | C26 | H263 | 96.6° | 109.5° |
| H271 | C27 | H272 | 109.7° | 109.5° |
| H271 | C27 | H273 | 109.7° | 109.4° |
| H272 | C27 | H273 | 100.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | C10 | 122.4° | 119.7° |
| O1 | C1 | C2 | H1 | 114.2° | 120.3° |
| O1 | C1 | C10 | H1 | 114.5° | 120.4° |
| O1 | C1 | C2 | C28 | 3.9° | 115.6° |
| O1 | C1 | C2 | C3 | 172.0° | 64.5° |
| O1 | C1 | C10 | C5 | 172.4° | 70.3° |
| O1 | C1 | C10 | H101 | 47.1° | 49.5° |
| O1 | C1 | C10 | H102 | 62.3° | 170.0° |
| HO1 | O1 | C1 | C2 | 180.0° | 60.0° |
| HO1 | O1 | C1 | C10 | 60.9° | 179.1° |
| HO1 | O1 | C1 | H1 | 62.2° | 60.3° |
| C2 | C1 | C10 | H1 | 118.6° | 119.9° |
| C1 | C2 | C28 | C3 | 176.1° | 180.0° |
| C1 | C2 | C28 | H281 | 3.9° | 0.0° |
| C1 | C2 | C28 | H282 | 180.0° | 179.9° |
| C1 | C2 | C3 | O2 | 65.4° | 175.0° |
| C1 | C2 | C3 | C4 | 46.0° | 55.2° |
| C1 | C2 | C3 | H3 | 166.3° | 64.7° |
| C2 | C1 | C10 | C5 | 45.4° | 49.4° |
| C2 | C1 | C10 | H101 | 79.9° | 169.2° |
| C2 | C1 | C10 | H102 | 170.7° | 70.3° |
| C10 | C1 | C2 | C28 | 126.3° | 124.8° |
| C10 | C1 | C2 | C3 | 49.6° | 55.2° |
| C1 | C10 | C5 | C4 | 40.7° | 55.3° |
| C1 | C10 | C5 | H101 | 125.3° | 119.8° |
| C1 | C10 | C5 | H102 | 125.2° | 119.7° |
| C1 | C10 | H101 | H102 | 114.7° | 120.4° |
| C1 | C10 | C5 | C6 | 137.3° | 124.8° |
| H1 | C1 | C2 | C28 | 110.2° | 4.7° |
| H1 | C1 | C2 | C3 | 73.9° | 175.2° |
| H1 | C1 | C10 | C5 | 73.1° | 169.3° |
| H1 | C1 | C10 | H101 | 161.6° | 70.9° |
| H1 | C1 | C10 | H102 | 52.2° | 49.6° |
| C2 | C28 | H281 | H282 | 176.0° | 180.0° |
| C28 | C2 | C3 | O2 | 118.6° | 5.0° |
| C28 | C2 | C3 | C4 | 130.0° | 124.8° |
| C28 | C2 | C3 | H3 | 9.7° | 115.4° |
| C3 | C2 | C28 | H281 | 180.0° | 180.0° |
| C3 | C2 | C28 | H282 | 3.9° | 0.0° |
| C2 | C3 | O2 | C4 | 119.7° | 119.1° |
| C2 | C3 | O2 | H3 | 121.5° | 120.3° |
| C2 | C3 | C4 | H3 | 123.8° | 119.8° |
| C2 | C3 | O2 | HO2 | 180.0° | 60.0° |
| C2 | C3 | C4 | C5 | 31.3° | 49.4° |
| C2 | C3 | C4 | H41 | 156.5° | 70.3° |
| C2 | C3 | C4 | H42 | 93.9° | 169.2° |
| O2 | C3 | C4 | H3 | 129.2° | 120.5° |
| O2 | C3 | C4 | C5 | 75.8° | 169.2° |
| O2 | C3 | C4 | H41 | 49.5° | 49.4° |
| O2 | C3 | C4 | H42 | 159.0° | 71.1° |
| C4 | C3 | O2 | HO2 | 60.3° | 179.2° |
| C3 | C4 | C5 | H41 | 125.2° | 119.7° |
| C3 | C4 | C5 | H42 | 125.2° | 119.8° |
| C3 | C4 | H41 | H42 | 116.5° | 120.5° |
| C3 | C4 | C5 | C10 | 30.6° | 55.3° |
| C3 | C4 | C5 | C6 | 147.7° | 124.8° |
| H3 | C3 | O2 | HO2 | 58.5° | 60.3° |
| H3 | C3 | C4 | C5 | 155.1° | 70.4° |
| H3 | C3 | C4 | H41 | 79.7° | 169.9° |
| H3 | C3 | C4 | H42 | 29.9° | 49.4° |
| C5 | C4 | H41 | H42 | 116.5° | 120.4° |
| C4 | C5 | C10 | C6 | 178.0° | 179.9° |
| C4 | C5 | C10 | H101 | 84.6° | 175.0° |
| C4 | C5 | C10 | H102 | 165.9° | 64.4° |
| C4 | C5 | C6 | C7 | 178.3° | 174.9° |
| C4 | C5 | C6 | H6 | 1.7° | 5.0° |
| H41 | C4 | C5 | C10 | 155.8° | 64.4° |
| H41 | C4 | C5 | C6 | 22.5° | 115.5° |
| H42 | C4 | C5 | C10 | 94.6° | 175.1° |
| H42 | C4 | C5 | C6 | 87.0° | 5.0° |
| C5 | C10 | H101 | H102 | 114.8° | 120.5° |
| C10 | C5 | C6 | C7 | 0.2° | 5.2° |
| C10 | C5 | C6 | H6 | 179.7° | 175.0° |
| H101 | C10 | C5 | C6 | 97.4° | 5.0° |
| H102 | C10 | C5 | C6 | 12.0° | 115.6° |
| C5 | C6 | C7 | H6 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 142.9° | 174.7° |
| C5 | C6 | C7 | H7 | 37.1° | 5.3° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 4.1° | 0.0° |
| C6 | C7 | C8 | C14 | 178.7° | 179.7° |
| H6 | C6 | C7 | C8 | 37.1° | 5.2° |
| H6 | C6 | C7 | H7 | 142.9° | 174.8° |
| C7 | C8 | C9 | C14 | 174.5° | 179.8° |
| C7 | C8 | C9 | C11 | 119.0° | 129.7° |
| C7 | C8 | C9 | H91 | 115.7° | 109.9° |
| C7 | C8 | C9 | H92 | 6.2° | 9.5° |
| C7 | C8 | C14 | C13 | 118.0° | 121.9° |
| C7 | C8 | C14 | C15 | 10.8° | 10.4° |
| C7 | C8 | C14 | H14 | 116.2° | 118.1° |
| H7 | C7 | C8 | C9 | 175.9° | 180.0° |
| H7 | C7 | C8 | C14 | 1.3° | 0.2° |
| C8 | C9 | C11 | H91 | 125.2° | 120.4° |
| C8 | C9 | C11 | H92 | 125.2° | 120.3° |
| C8 | C9 | H91 | H92 | 118.9° | 119.4° |
| C8 | C9 | C11 | C12 | 47.9° | 48.7° |
| C8 | C9 | C11 | H111 | 173.1° | 169.2° |
| C8 | C9 | C11 | H112 | 77.3° | 72.0° |
| C9 | C8 | C14 | C13 | 56.8° | 57.9° |
| C9 | C8 | C14 | C15 | 174.5° | 169.4° |
| C9 | C8 | C14 | H14 | 69.1° | 62.1° |
| C14 | C8 | C9 | C11 | 55.4° | 50.0° |
| C14 | C8 | C9 | H91 | 69.8° | 70.4° |
| C14 | C8 | C9 | H92 | 179.3° | 170.3° |
| C8 | C14 | C13 | C15 | 138.3° | 122.1° |
| C8 | C14 | C13 | H14 | 112.1° | 119.9° |
| C8 | C14 | C15 | H14 | 107.1° | 128.3° |
| C8 | C14 | C13 | C12 | 50.7° | 66.7° |
| C8 | C14 | C13 | C18 | 66.3° | 52.0° |
| C8 | C14 | C13 | C17 | 177.9° | 167.6° |
| C8 | C14 | C15 | C16 | 158.7° | 156.2° |
| C8 | C14 | C15 | H151 | 33.4° | 37.9° |
| C8 | C14 | C15 | H152 | 76.0° | 85.5° |
| C11 | C9 | H91 | H92 | 119.1° | 119.4° |
| C9 | C11 | C12 | H111 | 125.3° | 120.5° |
| C9 | C11 | C12 | H112 | 125.3° | 120.6° |
| C9 | C11 | H111 | H112 | 115.5° | 118.9° |
| C9 | C11 | C12 | C13 | 48.0° | 59.4° |
| C9 | C11 | C12 | H121 | 77.3° | 60.4° |
| C9 | C11 | C12 | H122 | 173.2° | 178.6° |
| H91 | C9 | C11 | C12 | 77.3° | 71.7° |
| H91 | C9 | C11 | H111 | 47.9° | 48.8° |
| H91 | C9 | C11 | H112 | 157.4° | 167.6° |
| H92 | C9 | C11 | C12 | 173.1° | 168.9° |
| H92 | C9 | C11 | H111 | 61.6° | 70.5° |
| H92 | C9 | C11 | H112 | 47.9° | 48.3° |
| C12 | C11 | H111 | H112 | 115.5° | 118.9° |
| C11 | C12 | C13 | C14 | 48.9° | 68.4° |
| C11 | C12 | C13 | H121 | 125.3° | 119.6° |
| C11 | C12 | C13 | H122 | 125.2° | 119.3° |
| C11 | C12 | C13 | C18 | 69.1° | 50.1° |
| C11 | C12 | C13 | C17 | 167.7° | 175.3° |
| C11 | C12 | H121 | H122 | 117.3° | 121.0° |
| H111 | C11 | C12 | C13 | 173.2° | 179.9° |
| H111 | C11 | C12 | H121 | 48.0° | 60.1° |
| H111 | C11 | C12 | H122 | 61.6° | 60.9° |
| H112 | C11 | C12 | C13 | 77.3° | 61.3° |
| H112 | C11 | C12 | H121 | 157.5° | 179.0° |
| H112 | C11 | C12 | H122 | 47.9° | 58.0° |
| C13 | C14 | C15 | H14 | 125.3° | 117.8° |
| C14 | C13 | C12 | C18 | 118.1° | 118.5° |
| C14 | C13 | C12 | C17 | 118.8° | 116.3° |
| C14 | C13 | C18 | C17 | 105.4° | 111.9° |
| C14 | C13 | C12 | H121 | 76.3° | 51.2° |
| C14 | C13 | C12 | H122 | 174.2° | 172.3° |
| C14 | C13 | C18 | H181 | 179.9° | 58.5° |
| C14 | C13 | C18 | H182 | 54.7° | 178.5° |
| C14 | C13 | C18 | H183 | 54.7° | 61.5° |
| C13 | C14 | C15 | C16 | 31.0° | 42.3° |
| C13 | C14 | C15 | H151 | 94.2° | 76.0° |
| C13 | C14 | C15 | H152 | 156.3° | 160.6° |
| C14 | C13 | C17 | C16 | 31.5° | 30.2° |
| C14 | C13 | C17 | C20 | 157.2° | 149.1° |
| C14 | C13 | C17 | H17 | 91.6° | 88.7° |
| C15 | C14 | C13 | C12 | 171.0° | 171.3° |
| C15 | C14 | C13 | C18 | 72.0° | 70.0° |
| C15 | C14 | C13 | C17 | 39.6° | 45.5° |
| C14 | C15 | C16 | H151 | 125.3° | 118.3° |
| C14 | C15 | C16 | H152 | 125.3° | 118.3° |
| C14 | C15 | H151 | H152 | 120.7° | 123.3° |
| C14 | C15 | C16 | C17 | 9.9° | 24.1° |
| C14 | C15 | C16 | H161 | 135.2° | 143.4° |
| C14 | C15 | C16 | H162 | 115.4° | 95.0° |
| H14 | C14 | C13 | C12 | 61.4° | 53.2° |
| H14 | C14 | C13 | C18 | 178.3° | 171.9° |
| H14 | C14 | C13 | C17 | 70.1° | 72.5° |
| H14 | C14 | C15 | C16 | 94.3° | 75.6° |
| H14 | C14 | C15 | H151 | 140.5° | 166.1° |
| H14 | C14 | C15 | H152 | 31.0° | 42.8° |
| C12 | C13 | C18 | C17 | 132.0° | 130.5° |
| C13 | C12 | H121 | H122 | 117.2° | 121.0° |
| C12 | C13 | C18 | H181 | 57.5° | 176.1° |
| C12 | C13 | C18 | H182 | 67.8° | 63.9° |
| C12 | C13 | C18 | H183 | 177.2° | 56.1° |
| C12 | C13 | C17 | C16 | 157.6° | 148.9° |
| C12 | C13 | C17 | C20 | 76.7° | 92.3° |
| C12 | C13 | C17 | H17 | 34.5° | 30.0° |
| C18 | C13 | C12 | H121 | 165.6° | 169.7° |
| C18 | C13 | C12 | H122 | 56.1° | 69.2° |
| C13 | C18 | H181 | H182 | 125.3° | 120.0° |
| C13 | C18 | H181 | H183 | 125.2° | 120.0° |
| C13 | C18 | H182 | H183 | 118.8° | 120.0° |
| C18 | C13 | C17 | C16 | 80.1° | 85.6° |
| C18 | C13 | C17 | C20 | 45.6° | 33.3° |
| C18 | C13 | C17 | H17 | 156.8° | 155.5° |
| C17 | C13 | C12 | H121 | 42.5° | 65.1° |
| C17 | C13 | C12 | H122 | 67.0° | 56.1° |
| C17 | C13 | C18 | H181 | 74.5° | 53.4° |
| C17 | C13 | C18 | H182 | 160.1° | 66.6° |
| C17 | C13 | C18 | H183 | 50.7° | 173.4° |
| C13 | C17 | C16 | C15 | 15.0° | 4.0° |
| C13 | C17 | C16 | C20 | 132.8° | 118.9° |
| C13 | C17 | C16 | H17 | 114.0° | 118.9° |
| C13 | C17 | C16 | H161 | 110.3° | 115.3° |
| C13 | C17 | C16 | H162 | 140.3° | 123.2° |
| C13 | C17 | C20 | H17 | 111.8° | 122.2° |
| C13 | C17 | C20 | C21 | 172.0° | 180.0° |
| C13 | C17 | C20 | C22 | 44.8° | 60.0° |
| C13 | C17 | C20 | H20 | 67.2° | 60.0° |
| H181 | C18 | H182 | H183 | 118.8° | 120.0° |
| C16 | C15 | H151 | H152 | 120.6° | 123.4° |
| C15 | C16 | C17 | H161 | 125.3° | 119.3° |
| C15 | C16 | C17 | H162 | 125.3° | 119.2° |
| C15 | C16 | H161 | H162 | 119.0° | 121.5° |
| C15 | C16 | C17 | C20 | 147.8° | 122.9° |
| C15 | C16 | C17 | H17 | 99.0° | 114.9° |
| H151 | C15 | C16 | C17 | 115.4° | 94.1° |
| H151 | C15 | C16 | H161 | 9.9° | 25.1° |
| H151 | C15 | C16 | H162 | 119.3° | 146.7° |
| H152 | C15 | C16 | C17 | 135.2° | 142.5° |
| H152 | C15 | C16 | H161 | 99.5° | 98.3° |
| H152 | C15 | C16 | H162 | 9.9° | 23.3° |
| C17 | C16 | H161 | H162 | 119.0° | 121.6° |
| C16 | C17 | C20 | H17 | 122.9° | 122.2° |
| C16 | C17 | C20 | C21 | 62.8° | 64.4° |
| C16 | C17 | C20 | C22 | 170.1° | 175.6° |
| C16 | C17 | C20 | H20 | 58.1° | 55.6° |
| H161 | C16 | C17 | C20 | 22.5° | 3.6° |
| H161 | C16 | C17 | H17 | 135.7° | 125.9° |
| H162 | C16 | C17 | C20 | 86.9° | 117.9° |
| H162 | C16 | C17 | H17 | 26.3° | 4.3° |
| C17 | C20 | C21 | C22 | 128.4° | 120.0° |
| C17 | C20 | C21 | H20 | 119.4° | 120.0° |
| C17 | C20 | C22 | H20 | 118.2° | 120.0° |
| C17 | C20 | C21 | H211 | 180.0° | 60.0° |
| C17 | C20 | C21 | H212 | 54.7° | 60.0° |
| C17 | C20 | C21 | H213 | 54.7° | 180.0° |
| C17 | C20 | C22 | C23 | 179.3° | 175.0° |
| C17 | C20 | C22 | H221 | 55.4° | 65.0° |
| C17 | C20 | C22 | H222 | 54.1° | 55.0° |
| H17 | C17 | C20 | C21 | 60.2° | 57.8° |
| H17 | C17 | C20 | C22 | 67.0° | 62.2° |
| H17 | C17 | C20 | H20 | 179.0° | 177.8° |
| C21 | C20 | C22 | H20 | 119.8° | 120.0° |
| C20 | C21 | H211 | H212 | 125.3° | 120.0° |
| C20 | C21 | H211 | H213 | 125.3° | 120.0° |
| C20 | C21 | H212 | H213 | 120.0° | 120.0° |
| C21 | C20 | C22 | C23 | 58.6° | 65.0° |
| C21 | C20 | C22 | H221 | 66.6° | 55.0° |
| C21 | C20 | C22 | H222 | 176.1° | 175.0° |
| C22 | C20 | C21 | H211 | 51.7° | 180.0° |
| C22 | C20 | C21 | H212 | 176.9° | 60.0° |
| C22 | C20 | C21 | H213 | 73.7° | 60.0° |
| C20 | C22 | C23 | H221 | 125.2° | 119.9° |
| C20 | C22 | C23 | H222 | 125.2° | 120.0° |
| C20 | C22 | H221 | H222 | 117.4° | 120.0° |
| C20 | C22 | C23 | C24 | 166.4° | 180.0° |
| C20 | C22 | C23 | H231 | 41.1° | 60.1° |
| C20 | C22 | C23 | H232 | 68.3° | 60.0° |
| H20 | C20 | C21 | H211 | 60.5° | 60.0° |
| H20 | C20 | C21 | H212 | 64.7° | 180.0° |
| H20 | C20 | C21 | H213 | 174.1° | 60.0° |
| H20 | C20 | C22 | C23 | 61.2° | 55.0° |
| H20 | C20 | C22 | H221 | 173.6° | 175.0° |
| H20 | C20 | C22 | H222 | 64.1° | 65.0° |
| H211 | C21 | H212 | H213 | 120.0° | 120.0° |
| C23 | C22 | H221 | H222 | 117.5° | 120.1° |
| C22 | C23 | C24 | H231 | 125.2° | 120.0° |
| C22 | C23 | C24 | H232 | 125.2° | 120.0° |
| C22 | C23 | H231 | H232 | 115.9° | 120.0° |
| C22 | C23 | C24 | C25 | 173.4° | 180.0° |
| C22 | C23 | C24 | H241 | 61.3° | 60.0° |
| C22 | C23 | C24 | H242 | 48.2° | 60.0° |
| H221 | C22 | C23 | C24 | 68.4° | 60.0° |
| H221 | C22 | C23 | H231 | 166.4° | 180.0° |
| H221 | C22 | C23 | H232 | 56.9° | 59.9° |
| H222 | C22 | C23 | C24 | 41.2° | 60.0° |
| H222 | C22 | C23 | H231 | 84.1° | 60.0° |
| H222 | C22 | C23 | H232 | 166.5° | 180.0° |
| C24 | C23 | H231 | H232 | 116.0° | 120.0° |
| C23 | C24 | C25 | H241 | 125.2° | 120.0° |
| C23 | C24 | C25 | H242 | 125.2° | 120.0° |
| C23 | C24 | H241 | H242 | 116.5° | 119.9° |
| C23 | C24 | C25 | C26 | 161.6° | 60.0° |
| C23 | C24 | C25 | C27 | 72.5° | 180.0° |
| C23 | C24 | C25 | O3 | 46.6° | 60.0° |
| H231 | C23 | C24 | C25 | 48.2° | 60.0° |
| H231 | C23 | C24 | H241 | 173.4° | 180.0° |
| H231 | C23 | C24 | H242 | 77.1° | 60.0° |
| H232 | C23 | C24 | C25 | 61.3° | 60.0° |
| H232 | C23 | C24 | H241 | 63.9° | 60.0° |
| H232 | C23 | C24 | H242 | 173.4° | 180.0° |
| C25 | C24 | H241 | H242 | 116.5° | 120.0° |
| C24 | C25 | C26 | C27 | 127.9° | 120.0° |
| C24 | C25 | C26 | O3 | 115.8° | 119.9° |
| C24 | C25 | C27 | O3 | 120.8° | 120.0° |
| C24 | C25 | C26 | H261 | 180.0° | 60.1° |
| C24 | C25 | C26 | H262 | 54.7° | 180.0° |
| C24 | C25 | C26 | H263 | 54.7° | 60.0° |
| C24 | C25 | C27 | H271 | 180.0° | 59.9° |
| C24 | C25 | C27 | H272 | 54.7° | 180.0° |
| C24 | C25 | C27 | H273 | 54.7° | 60.0° |
| C24 | C25 | O3 | HO3 | 180.0° | 60.1° |
| H241 | C24 | C25 | C26 | 36.3° | 60.1° |
| H241 | C24 | C25 | C27 | 162.3° | 60.0° |
| H241 | C24 | C25 | O3 | 78.7° | 180.0° |
| H242 | C24 | C25 | C26 | 73.2° | 179.9° |
| H242 | C24 | C25 | C27 | 52.7° | 60.0° |
| H242 | C24 | C25 | O3 | 171.8° | 60.0° |
| C26 | C25 | C27 | O3 | 117.4° | 120.0° |
| C25 | C26 | H261 | H262 | 125.3° | 120.0° |
| C25 | C26 | H261 | H263 | 125.2° | 120.1° |
| C25 | C26 | H262 | H263 | 119.8° | 120.0° |
| C26 | C25 | C27 | H271 | 58.2° | 179.9° |
| C26 | C25 | C27 | H272 | 67.1° | 60.0° |
| C26 | C25 | C27 | H273 | 176.5° | 60.0° |
| C26 | C25 | O3 | HO3 | 66.7° | 180.0° |
| C27 | C25 | C26 | H261 | 52.0° | 60.0° |
| C27 | C25 | C26 | H262 | 177.3° | 60.0° |
| C27 | C25 | C26 | H263 | 73.2° | 180.0° |
| C25 | C27 | H271 | H272 | 125.3° | 120.1° |
| C25 | C27 | H271 | H273 | 125.3° | 120.0° |
| C25 | C27 | H272 | H273 | 115.5° | 120.0° |
| C27 | C25 | O3 | HO3 | 54.3° | 60.0° |
| O3 | C25 | C26 | H261 | 64.2° | 180.0° |
| O3 | C25 | C26 | H262 | 61.1° | 60.0° |
| O3 | C25 | C26 | H263 | 170.5° | 60.0° |
| O3 | C25 | C27 | H271 | 59.2° | 60.1° |
| O3 | C25 | C27 | H272 | 175.5° | 60.0° |
| O3 | C25 | C27 | H273 | 66.1° | 180.0° |
| H261 | C26 | H262 | H263 | 119.8° | 120.0° |
| H271 | C27 | H272 | H273 | 115.5° | 119.9° |
