A1H72
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | C25 | sing | 1.53Å | 1.52Å | |
| C26 | C25 | sing | 1.53Å | 1.52Å | |
| C25 | O3 | sing | 1.43Å | 1.44Å | |
| C25 | C24 | sing | 1.53Å | 1.54Å | |
| C24 | C23 | sing | 1.53Å | 1.54Å | |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| C22 | C20 | sing | 1.53Å | 1.54Å | |
| C18 | C13 | sing | 1.53Å | 1.54Å | |
| C19 | C10 | doub | 1.33Å | 1.32Å | |
| C11 | C12 | sing | 1.54Å | 1.53Å | |
| C11 | C9 | sing | 1.53Å | 1.54Å | |
| C12 | C13 | sing | 1.51Å | 1.54Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C20 | C17 | sing | 1.53Å | 1.55Å | |
| C10 | C5 | sing | 1.48Å | 1.48Å | |
| C10 | C1 | sing | 1.52Å | 1.51Å | |
| C4 | C5 | sing | 1.52Å | 1.51Å | |
| C4 | O4 | sing | 1.43Å | 1.42Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.54Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| O1 | C1 | sing | 1.43Å | 1.42Å | |
| C13 | C17 | sing | 1.52Å | 1.54Å | |
| C13 | C14 | sing | 1.56Å | 1.55Å | |
| C5 | C28 | doub | 1.35Å | 1.34Å | |
| C3 | O2 | sing | 1.43Å | 1.43Å | |
| C17 | C16 | sing | 1.56Å | 1.54Å | |
| C28 | C7 | sing | 1.47Å | 1.43Å | |
| C9 | C6 | sing | 1.52Å | 1.50Å | |
| C7 | C6 | doub | 1.33Å | 1.34Å | |
| C6 | C14 | sing | 1.50Å | 1.51Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C16 | C15 | sing | 1.55Å | 1.56Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C19 | H192 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H213 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C7 | H71 | sing | 1.08Å | 1.08Å | |
| C28 | H61 | sing | 1.08Å | 1.08Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H263 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C27 | H273 | sing | 1.09Å | 1.10Å | |
| O4 | H39 | sing | 0.97Å | 0.95Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C27 | C25 | C26 | 110.7° | 109.5° |
| C27 | C25 | O3 | 107.9° | 109.4° |
| C27 | C25 | C24 | 111.8° | 109.5° |
| C25 | C27 | H271 | 109.5° | 109.5° |
| C25 | C27 | H272 | 109.4° | 109.4° |
| C25 | C27 | H273 | 109.5° | 109.5° |
| C26 | C25 | O3 | 106.6° | 109.5° |
| C26 | C25 | C24 | 111.5° | 109.5° |
| C25 | C26 | H261 | 109.5° | 109.5° |
| C25 | C26 | H262 | 109.5° | 109.5° |
| C25 | C26 | H263 | 109.5° | 109.5° |
| O3 | C25 | C24 | 108.2° | 109.4° |
| C25 | O3 | HO3 | 109.5° | 114.0° |
| C25 | C24 | C23 | 115.7° | 109.5° |
| C25 | C24 | H241 | 107.9° | 109.5° |
| C25 | C24 | H242 | 107.9° | 109.4° |
| C24 | C23 | C22 | 114.3° | 109.5° |
| C24 | C23 | H231 | 108.2° | 109.4° |
| C24 | C23 | H232 | 108.3° | 109.5° |
| C23 | C24 | H241 | 107.9° | 109.5° |
| C23 | C24 | H242 | 107.9° | 109.5° |
| C23 | C22 | C20 | 113.6° | 109.5° |
| C22 | C23 | H231 | 108.3° | 109.5° |
| C22 | C23 | H232 | 108.2° | 109.5° |
| C23 | C22 | H221 | 108.4° | 109.5° |
| C23 | C22 | H222 | 108.4° | 109.5° |
| C22 | C20 | C21 | 110.2° | 109.5° |
| C22 | C20 | C17 | 114.6° | 109.4° |
| C22 | C20 | H201 | 106.2° | 109.5° |
| C20 | C22 | H221 | 108.4° | 109.5° |
| C20 | C22 | H222 | 108.4° | 109.5° |
| C18 | C13 | C12 | 110.5° | 109.3° |
| C18 | C13 | C17 | 113.2° | 109.3° |
| C18 | C13 | C14 | 109.1° | 108.4° |
| C13 | C18 | H181 | 109.5° | 109.5° |
| C13 | C18 | H182 | 109.4° | 109.5° |
| C13 | C18 | H183 | 109.5° | 109.5° |
| C19 | C10 | C5 | 124.7° | 121.6° |
| C19 | C10 | C1 | 121.6° | 121.6° |
| C10 | C19 | H191 | 120.0° | 120.1° |
| C10 | C19 | H192 | 120.0° | 120.0° |
| C12 | C11 | C9 | 111.7° | 111.7° |
| C11 | C12 | C13 | 112.8° | 108.1° |
| C12 | C11 | H111 | 108.9° | 109.0° |
| C12 | C11 | H112 | 108.9° | 109.0° |
| C11 | C12 | H121 | 108.6° | 109.8° |
| C11 | C12 | H122 | 108.6° | 109.8° |
| C11 | C9 | C6 | 110.7° | 110.7° |
| C11 | C9 | H91 | 109.1° | 109.2° |
| C11 | C9 | H92 | 109.1° | 109.2° |
| C9 | C11 | H111 | 108.9° | 109.2° |
| C9 | C11 | H112 | 108.9° | 108.8° |
| C12 | C13 | C17 | 117.4° | 118.4° |
| C12 | C13 | C14 | 106.6° | 107.8° |
| C13 | C12 | H121 | 108.6° | 109.4° |
| C13 | C12 | H122 | 108.6° | 109.8° |
| C21 | C20 | C17 | 112.5° | 109.5° |
| C20 | C21 | H211 | 109.5° | 109.4° |
| C20 | C21 | H212 | 109.5° | 109.5° |
| C20 | C21 | H213 | 109.5° | 109.5° |
| C21 | C20 | H201 | 106.4° | 109.5° |
| C20 | C17 | C13 | 120.7° | 110.0° |
| C20 | C17 | C16 | 113.8° | 110.3° |
| C20 | C17 | H171 | 105.7° | 110.3° |
| C17 | C20 | H201 | 106.2° | 109.5° |
| C5 | C10 | C1 | 113.6° | 116.8° |
| C10 | C5 | C4 | 113.8° | 116.8° |
| C10 | C5 | C28 | 123.9° | 121.6° |
| C10 | C1 | C2 | 110.9° | 108.3° |
| C10 | C1 | O1 | 111.1° | 109.7° |
| C10 | C1 | H11 | 108.2° | 109.7° |
| C5 | C4 | O4 | 110.0° | 109.8° |
| C5 | C4 | C3 | 113.5° | 108.3° |
| C4 | C5 | C28 | 121.9° | 121.6° |
| C5 | C4 | H41 | 106.9° | 109.7° |
| O4 | C4 | C3 | 111.2° | 109.6° |
| O4 | C4 | H41 | 108.1° | 109.7° |
| C4 | O4 | H39 | 109.5° | 114.0° |
| C4 | C3 | C2 | 110.1° | 109.8° |
| C4 | C3 | O2 | 109.7° | 109.4° |
| C3 | C4 | H41 | 106.8° | 109.7° |
| C4 | C3 | H31 | 108.6° | 109.4° |
| C1 | C2 | C3 | 109.4° | 109.9° |
| C2 | C1 | O1 | 109.4° | 109.6° |
| C1 | C2 | H21 | 109.5° | 109.4° |
| C1 | C2 | H22 | 109.5° | 109.4° |
| C2 | C1 | H11 | 107.9° | 109.8° |
| C2 | C3 | O2 | 109.7° | 109.4° |
| C2 | C3 | H31 | 108.7° | 109.4° |
| C3 | C2 | H21 | 109.5° | 109.6° |
| C3 | C2 | H22 | 109.5° | 109.2° |
| O1 | C1 | H11 | 109.3° | 109.7° |
| C1 | O1 | HO1 | 109.5° | 114.0° |
| C17 | C13 | C14 | 99.0° | 103.3° |
| C13 | C17 | C16 | 103.9° | 104.6° |
| C13 | C17 | H171 | 105.8° | 111.1° |
| C13 | C14 | C6 | 112.0° | 106.0° |
| C13 | C14 | C15 | 103.9° | 101.3° |
| C13 | C14 | H141 | 105.9° | 110.9° |
| C5 | C28 | C7 | 126.5° | 120.0° |
| C5 | C28 | H61 | 116.7° | 120.0° |
| O2 | C3 | H31 | 109.9° | 109.4° |
| C3 | O2 | HO2 | 109.5° | 114.0° |
| C17 | C16 | C15 | 105.0° | 106.4° |
| C16 | C17 | H171 | 105.8° | 110.3° |
| C17 | C16 | H161 | 110.6° | 110.1° |
| C17 | C16 | H162 | 110.6° | 110.1° |
| C28 | C7 | C6 | 126.2° | 120.0° |
| C28 | C7 | H71 | 116.9° | 120.0° |
| C7 | C28 | H61 | 116.8° | 119.9° |
| C9 | C6 | C7 | 125.6° | 122.4° |
| C9 | C6 | C14 | 110.5° | 115.2° |
| C6 | C9 | H91 | 109.2° | 109.2° |
| C6 | C9 | H92 | 109.2° | 109.3° |
| C7 | C6 | C14 | 123.6° | 122.4° |
| C6 | C7 | H71 | 116.9° | 120.0° |
| C6 | C14 | C15 | 121.6° | 116.7° |
| C6 | C14 | H141 | 106.3° | 110.7° |
| C14 | C15 | C16 | 104.8° | 102.7° |
| C15 | C14 | H141 | 106.0° | 110.8° |
| C14 | C15 | H151 | 110.6° | 110.7° |
| C14 | C15 | H152 | 110.6° | 110.7° |
| C15 | C16 | H161 | 110.6° | 110.1° |
| C15 | C16 | H162 | 110.6° | 110.0° |
| C16 | C15 | H151 | 110.6° | 110.8° |
| C16 | C15 | H152 | 110.6° | 110.8° |
| H91 | C9 | H92 | 109.5° | 109.2° |
| H111 | C11 | H112 | 109.5° | 109.0° |
| H121 | C12 | H122 | 109.5° | 109.9° |
| H181 | C18 | H182 | 109.5° | 109.5° |
| H181 | C18 | H183 | 109.4° | 109.4° |
| H182 | C18 | H183 | 109.5° | 109.4° |
| H191 | C19 | H192 | 120.0° | 119.9° |
| H211 | C21 | H212 | 109.5° | 109.4° |
| H211 | C21 | H213 | 109.4° | 109.5° |
| H212 | C21 | H213 | 109.5° | 109.5° |
| H231 | C23 | H232 | 109.4° | 109.5° |
| H21 | C2 | H22 | 109.5° | 109.4° |
| H161 | C16 | H162 | 109.5° | 110.1° |
| H221 | C22 | H222 | 109.5° | 109.4° |
| H241 | C24 | H242 | 109.4° | 109.4° |
| H261 | C26 | H262 | 109.5° | 109.5° |
| H261 | C26 | H263 | 109.5° | 109.5° |
| H262 | C26 | H263 | 109.5° | 109.5° |
| H151 | C15 | H152 | 109.5° | 110.8° |
| H271 | C27 | H272 | 109.5° | 109.5° |
| H271 | C27 | H273 | 109.4° | 109.5° |
| H272 | C27 | H273 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C27 | C25 | C26 | O3 | 117.0° | 120.0° |
| C27 | C25 | C26 | C24 | 125.1° | 120.1° |
| C27 | C25 | O3 | C24 | 121.1° | 120.0° |
| C27 | C25 | C24 | C23 | 172.2° | 55.0° |
| C27 | C25 | C24 | H241 | 51.2° | 175.0° |
| C27 | C25 | C24 | H242 | 66.9° | 65.1° |
| C27 | C25 | C26 | H261 | 180.0° | 179.9° |
| C27 | C25 | C26 | H262 | 60.0° | 60.1° |
| C27 | C25 | C26 | H263 | 60.0° | 60.0° |
| C25 | C27 | H271 | H272 | 120.0° | 120.0° |
| C25 | C27 | H271 | H273 | 120.0° | 120.0° |
| C25 | C27 | H272 | H273 | 120.0° | 119.9° |
| C27 | C25 | O3 | HO3 | 180.0° | 60.0° |
| C26 | C25 | O3 | C24 | 120.0° | 120.0° |
| C26 | C25 | C24 | C23 | 63.4° | 175.0° |
| C26 | C25 | C24 | H241 | 175.7° | 65.0° |
| C26 | C25 | C24 | H242 | 57.6° | 55.0° |
| C25 | C26 | H261 | H262 | 120.0° | 120.0° |
| C25 | C26 | H261 | H263 | 120.0° | 120.0° |
| C25 | C26 | H262 | H263 | 120.0° | 120.0° |
| C26 | C25 | C27 | H271 | 180.0° | 60.0° |
| C26 | C25 | C27 | H272 | 60.0° | 60.1° |
| C26 | C25 | C27 | H273 | 60.0° | 180.0° |
| C26 | C25 | O3 | HO3 | 61.1° | 60.0° |
| O3 | C25 | C24 | C23 | 53.5° | 65.0° |
| O3 | C25 | C24 | H241 | 67.4° | 55.0° |
| O3 | C25 | C24 | H242 | 174.4° | 175.0° |
| O3 | C25 | C26 | H261 | 63.0° | 60.0° |
| O3 | C25 | C26 | H262 | 177.0° | 180.0° |
| O3 | C25 | C26 | H263 | 57.1° | 60.0° |
| O3 | C25 | C27 | H271 | 63.8° | 60.0° |
| O3 | C25 | C27 | H272 | 56.2° | 180.0° |
| O3 | C25 | C27 | H273 | 176.2° | 60.0° |
| C25 | C24 | C23 | H241 | 120.9° | 120.0° |
| C25 | C24 | C23 | H242 | 120.9° | 120.0° |
| C25 | C24 | C23 | C22 | 178.7° | 180.0° |
| C25 | C24 | C23 | H231 | 60.6° | 60.0° |
| C25 | C24 | C23 | H232 | 57.9° | 60.0° |
| C25 | C24 | H241 | H242 | 117.1° | 119.9° |
| C24 | C25 | C26 | H261 | 54.9° | 60.0° |
| C24 | C25 | C26 | H262 | 65.1° | 60.0° |
| C24 | C25 | C26 | H263 | 175.0° | 180.0° |
| C24 | C25 | C27 | H271 | 55.1° | 180.0° |
| C24 | C25 | C27 | H272 | 175.1° | 60.0° |
| C24 | C25 | C27 | H273 | 64.9° | 59.9° |
| C24 | C25 | O3 | HO3 | 58.9° | 180.0° |
| C24 | C23 | C22 | H231 | 120.7° | 120.0° |
| C24 | C23 | C22 | H232 | 120.7° | 120.0° |
| C24 | C23 | C22 | C20 | 167.1° | 180.0° |
| C24 | C23 | H231 | H232 | 117.8° | 120.0° |
| C24 | C23 | C22 | H221 | 72.3° | 60.0° |
| C24 | C23 | C22 | H222 | 46.5° | 60.0° |
| C23 | C24 | H241 | H242 | 117.2° | 120.0° |
| C23 | C22 | C20 | H221 | 120.6° | 120.0° |
| C23 | C22 | C20 | H222 | 120.6° | 120.0° |
| C23 | C22 | C20 | C21 | 63.2° | 65.0° |
| C23 | C22 | C20 | C17 | 168.7° | 175.0° |
| C22 | C23 | H231 | H232 | 117.8° | 120.0° |
| C23 | C22 | C20 | H201 | 51.7° | 55.0° |
| C23 | C22 | H221 | H222 | 118.1° | 120.0° |
| C22 | C23 | C24 | H241 | 57.7° | 60.0° |
| C22 | C23 | C24 | H242 | 60.4° | 60.0° |
| C22 | C20 | C21 | C17 | 129.3° | 120.0° |
| C22 | C20 | C21 | H201 | 114.8° | 120.0° |
| C22 | C20 | C17 | H201 | 116.9° | 120.0° |
| C22 | C20 | C17 | C13 | 75.9° | 176.4° |
| C22 | C20 | C17 | C16 | 48.6° | 61.5° |
| C22 | C20 | C21 | H211 | 180.0° | 60.0° |
| C22 | C20 | C21 | H212 | 60.0° | 179.9° |
| C22 | C20 | C21 | H213 | 60.0° | 60.0° |
| C20 | C22 | C23 | H231 | 46.3° | 60.0° |
| C20 | C22 | C23 | H232 | 72.2° | 60.0° |
| C22 | C20 | C17 | H171 | 164.3° | 60.7° |
| C20 | C22 | H221 | H222 | 118.1° | 120.0° |
| C18 | C13 | C12 | C11 | 62.5° | 50.4° |
| C18 | C13 | C12 | C17 | 131.8° | 125.9° |
| C18 | C13 | C12 | C14 | 118.4° | 117.6° |
| C18 | C13 | C17 | C20 | 59.7° | 34.2° |
| C18 | C13 | C17 | C14 | 115.4° | 115.2° |
| C18 | C13 | C17 | C16 | 69.4° | 84.3° |
| C18 | C13 | C14 | C6 | 60.3° | 52.6° |
| C18 | C13 | C14 | C15 | 72.7° | 69.7° |
| C18 | C13 | C14 | H141 | 175.8° | 172.7° |
| C18 | C13 | C12 | H121 | 177.0° | 169.9° |
| C18 | C13 | C12 | H122 | 58.0° | 69.4° |
| C13 | C18 | H181 | H182 | 120.0° | 120.1° |
| C13 | C18 | H181 | H183 | 120.0° | 120.0° |
| C13 | C18 | H182 | H183 | 120.0° | 120.0° |
| C18 | C13 | C17 | H171 | 179.4° | 156.7° |
| C19 | C10 | C5 | C1 | 176.0° | 180.0° |
| C19 | C10 | C5 | C4 | 129.0° | 136.7° |
| C19 | C10 | C1 | C2 | 122.3° | 133.5° |
| C19 | C10 | C1 | O1 | 0.4° | 106.9° |
| C19 | C10 | C5 | C28 | 44.4° | 43.1° |
| C10 | C19 | H191 | H192 | 180.0° | 180.0° |
| C19 | C10 | C1 | H11 | 119.5° | 13.7° |
| C12 | C11 | C9 | H111 | 120.3° | 120.7° |
| C12 | C11 | C9 | H112 | 120.3° | 120.4° |
| C11 | C12 | C13 | H121 | 120.5° | 119.5° |
| C11 | C12 | C13 | H122 | 120.5° | 119.8° |
| C11 | C12 | C13 | C17 | 165.7° | 176.3° |
| C11 | C12 | C13 | C14 | 55.9° | 67.2° |
| C12 | C11 | C9 | C6 | 53.4° | 48.6° |
| C12 | C11 | C9 | H91 | 173.6° | 71.8° |
| C12 | C11 | C9 | H92 | 66.8° | 168.9° |
| C12 | C11 | H111 | H112 | 119.0° | 118.9° |
| C11 | C12 | H121 | H122 | 118.5° | 120.9° |
| C9 | C11 | C12 | C13 | 54.9° | 58.8° |
| C11 | C9 | C6 | H91 | 120.2° | 120.3° |
| C11 | C9 | C6 | H92 | 120.2° | 120.3° |
| C11 | C9 | C6 | C7 | 117.8° | 129.8° |
| C11 | C9 | C6 | C14 | 56.2° | 50.2° |
| C11 | C9 | H91 | H92 | 119.4° | 119.3° |
| C9 | C11 | H111 | H112 | 119.0° | 118.8° |
| C9 | C11 | C12 | H121 | 65.5° | 60.5° |
| C9 | C11 | C12 | H122 | 175.5° | 178.6° |
| C12 | C13 | C17 | C20 | 70.9° | 91.7° |
| C12 | C13 | C17 | C14 | 114.0° | 118.9° |
| C12 | C13 | C17 | C16 | 160.0° | 149.8° |
| C12 | C13 | C14 | C6 | 59.0° | 65.6° |
| C12 | C13 | C14 | C15 | 168.0° | 172.1° |
| C12 | C13 | C14 | H141 | 56.5° | 54.5° |
| C13 | C12 | C11 | H111 | 65.4° | 179.6° |
| C13 | C12 | C11 | H112 | 175.3° | 61.5° |
| C13 | C12 | H121 | H122 | 118.5° | 120.6° |
| C12 | C13 | C18 | H181 | 180.0° | 59.3° |
| C12 | C13 | C18 | H182 | 60.0° | 179.3° |
| C12 | C13 | C18 | H183 | 60.0° | 60.7° |
| C12 | C13 | C17 | H171 | 48.8° | 30.8° |
| C21 | C20 | C17 | H201 | 116.1° | 120.0° |
| C21 | C20 | C17 | C13 | 157.1° | 63.6° |
| C21 | C20 | C17 | C16 | 78.3° | 178.5° |
| C20 | C21 | H211 | H212 | 120.0° | 120.0° |
| C20 | C21 | H211 | H213 | 120.0° | 120.0° |
| C20 | C21 | H212 | H213 | 120.0° | 120.0° |
| C21 | C20 | C17 | H171 | 37.4° | 59.3° |
| C21 | C20 | C22 | H221 | 57.4° | 55.0° |
| C21 | C20 | C22 | H222 | 176.2° | 175.0° |
| C20 | C17 | C13 | C16 | 129.1° | 118.5° |
| C20 | C17 | C13 | H171 | 119.7° | 122.4° |
| C20 | C17 | C13 | C14 | 175.1° | 149.4° |
| C20 | C17 | C16 | H171 | 115.7° | 122.2° |
| C20 | C17 | C16 | C15 | 162.4° | 122.9° |
| C17 | C20 | C21 | H211 | 50.7° | 60.0° |
| C17 | C20 | C21 | H212 | 170.8° | 60.0° |
| C17 | C20 | C21 | H213 | 69.3° | 180.0° |
| C20 | C17 | C16 | H161 | 78.3° | 117.8° |
| C20 | C17 | C16 | H162 | 43.1° | 3.7° |
| C17 | C20 | C22 | H221 | 70.7° | 65.0° |
| C17 | C20 | C22 | H222 | 48.1° | 55.0° |
| C10 | C5 | C4 | C28 | 173.5° | 179.7° |
| C10 | C5 | C4 | O4 | 172.0° | 72.8° |
| C10 | C5 | C4 | C3 | 46.6° | 46.9° |
| C5 | C10 | C1 | C2 | 53.9° | 46.5° |
| C5 | C10 | C1 | O1 | 175.7° | 73.1° |
| C10 | C5 | C28 | C7 | 6.7° | 0.0° |
| C5 | C10 | C19 | H191 | 175.7° | 0.0° |
| C5 | C10 | C19 | H192 | 4.3° | 180.0° |
| C10 | C5 | C28 | H61 | 173.3° | 180.0° |
| C10 | C5 | C4 | H41 | 70.9° | 166.6° |
| C5 | C10 | C1 | H11 | 64.3° | 166.3° |
| C1 | C10 | C5 | C4 | 47.0° | 43.4° |
| C10 | C1 | C2 | O1 | 122.8° | 119.7° |
| C10 | C1 | C2 | H11 | 118.3° | 119.7° |
| C10 | C1 | C2 | C3 | 59.5° | 57.4° |
| C10 | C1 | O1 | H11 | 119.3° | 120.6° |
| C1 | C10 | C5 | C28 | 139.6° | 136.9° |
| C1 | C10 | C19 | H191 | 0.0° | 180.0° |
| C1 | C10 | C19 | H192 | 180.0° | 0.0° |
| C10 | C1 | C2 | H21 | 179.5° | 177.8° |
| C10 | C1 | C2 | H22 | 60.4° | 62.4° |
| C10 | C1 | O1 | HO1 | 180.0° | 60.0° |
| C5 | C4 | O4 | C3 | 126.7° | 118.9° |
| C5 | C4 | O4 | H41 | 116.4° | 120.6° |
| C5 | C4 | C3 | H41 | 117.6° | 119.7° |
| C5 | C4 | C3 | C2 | 52.5° | 57.7° |
| C5 | C4 | C3 | O2 | 68.3° | 177.8° |
| C4 | C5 | C28 | C7 | 179.6° | 179.7° |
| C4 | C5 | C28 | H61 | 0.5° | 0.3° |
| C5 | C4 | C3 | H31 | 171.5° | 62.3° |
| C5 | C4 | O4 | H39 | 180.0° | 60.0° |
| O4 | C4 | C3 | H41 | 117.7° | 120.5° |
| O4 | C4 | C3 | C2 | 177.2° | 62.0° |
| O4 | C4 | C5 | C28 | 14.5° | 106.9° |
| O4 | C4 | C3 | O2 | 56.4° | 58.1° |
| O4 | C4 | C3 | H31 | 63.8° | 177.9° |
| C4 | C3 | C2 | C1 | 58.6° | 66.0° |
| C4 | C3 | C2 | O2 | 120.9° | 120.1° |
| C4 | C3 | C2 | H31 | 118.9° | 120.1° |
| C3 | C4 | C5 | C28 | 139.8° | 133.4° |
| C4 | C3 | O2 | H31 | 119.4° | 119.9° |
| C4 | C3 | C2 | H21 | 178.6° | 173.8° |
| C4 | C3 | C2 | H22 | 61.3° | 54.0° |
| C3 | C4 | O4 | H39 | 53.3° | 178.9° |
| C4 | C3 | O2 | HO2 | 180.0° | 180.0° |
| C1 | C2 | C3 | H21 | 120.0° | 120.2° |
| C1 | C2 | C3 | H22 | 120.0° | 120.0° |
| C2 | C1 | O1 | H11 | 118.0° | 120.6° |
| C1 | C2 | C3 | O2 | 62.2° | 173.9° |
| C1 | C2 | C3 | H31 | 177.5° | 54.1° |
| C1 | C2 | H21 | H22 | 120.1° | 119.8° |
| C2 | C1 | O1 | HO1 | 57.3° | 178.8° |
| C3 | C2 | C1 | O1 | 177.6° | 62.2° |
| C2 | C3 | O2 | H31 | 119.5° | 119.8° |
| C2 | C3 | C4 | H41 | 65.1° | 177.5° |
| C3 | C2 | H21 | H22 | 120.0° | 119.6° |
| C3 | C2 | C1 | H11 | 58.8° | 177.2° |
| C2 | C3 | O2 | HO2 | 58.9° | 59.7° |
| O1 | C1 | C2 | H21 | 57.6° | 58.1° |
| O1 | C1 | C2 | H22 | 62.4° | 177.9° |
| C13 | C17 | C16 | H171 | 111.2° | 119.6° |
| C17 | C13 | C14 | C6 | 178.7° | 168.4° |
| C17 | C13 | C14 | C15 | 45.7° | 46.1° |
| C13 | C17 | C16 | C15 | 29.2° | 4.7° |
| C17 | C13 | C14 | H141 | 65.7° | 71.5° |
| C17 | C13 | C12 | H121 | 45.2° | 64.2° |
| C17 | C13 | C12 | H122 | 73.8° | 56.5° |
| C17 | C13 | C18 | H181 | 46.1° | 169.7° |
| C17 | C13 | C18 | H182 | 74.0° | 49.7° |
| C17 | C13 | C18 | H183 | 166.0° | 70.3° |
| C13 | C17 | C16 | H161 | 148.5° | 123.9° |
| C13 | C17 | C16 | H162 | 90.0° | 114.5° |
| C13 | C17 | C20 | H201 | 41.0° | 56.4° |
| C14 | C13 | C17 | C16 | 46.0° | 30.9° |
| C13 | C14 | C6 | C9 | 60.9° | 57.8° |
| C13 | C14 | C6 | C7 | 113.2° | 122.2° |
| C13 | C14 | C6 | C15 | 123.6° | 111.8° |
| C13 | C14 | C6 | H141 | 115.3° | 120.3° |
| C13 | C14 | C15 | H141 | 111.4° | 117.7° |
| C13 | C14 | C15 | C16 | 28.4° | 42.3° |
| C14 | C13 | C12 | H121 | 64.5° | 52.3° |
| C14 | C13 | C12 | H122 | 176.4° | 173.0° |
| C14 | C13 | C18 | H181 | 63.1° | 57.9° |
| C14 | C13 | C18 | H182 | 176.9° | 62.1° |
| C14 | C13 | C18 | H183 | 56.9° | 177.9° |
| C14 | C13 | C17 | H171 | 65.2° | 88.1° |
| C13 | C14 | C15 | H151 | 90.8° | 76.0° |
| C13 | C14 | C15 | H152 | 147.7° | 160.6° |
| C5 | C28 | C7 | H61 | 180.0° | 180.0° |
| C5 | C28 | C7 | C6 | 162.6° | 180.0° |
| C5 | C28 | C7 | H71 | 17.5° | 0.0° |
| C28 | C5 | C4 | H41 | 102.6° | 13.6° |
| O2 | C3 | C4 | H41 | 174.1° | 62.4° |
| O2 | C3 | C2 | H21 | 57.7° | 53.7° |
| O2 | C3 | C2 | H22 | 177.8° | 66.1° |
| C17 | C16 | C15 | C14 | 0.4° | 23.7° |
| C17 | C16 | C15 | H161 | 119.3° | 119.2° |
| C17 | C16 | C15 | H162 | 119.3° | 119.2° |
| C17 | C16 | H161 | H162 | 122.1° | 121.5° |
| C16 | C17 | C20 | H201 | 165.6° | 58.5° |
| C17 | C16 | C15 | H151 | 119.7° | 94.6° |
| C17 | C16 | C15 | H152 | 118.8° | 142.0° |
| C28 | C7 | C6 | C9 | 5.8° | 0.0° |
| C28 | C7 | C6 | H71 | 180.0° | 180.0° |
| C28 | C7 | C6 | C14 | 179.1° | 180.0° |
| C9 | C6 | C7 | C14 | 173.3° | 180.0° |
| C9 | C6 | C14 | C15 | 175.5° | 169.6° |
| C9 | C6 | C14 | H141 | 54.3° | 62.5° |
| C6 | C9 | H91 | H92 | 119.5° | 119.5° |
| C6 | C9 | C11 | H111 | 66.9° | 169.3° |
| C6 | C9 | C11 | H112 | 173.7° | 71.8° |
| C9 | C6 | C7 | H71 | 174.2° | 180.0° |
| C7 | C6 | C14 | C15 | 10.4° | 10.4° |
| C7 | C6 | C14 | H141 | 131.5° | 117.5° |
| C7 | C6 | C9 | H91 | 2.3° | 109.9° |
| C7 | C6 | C9 | H92 | 122.0° | 9.5° |
| C6 | C7 | C28 | H61 | 17.4° | 0.0° |
| C6 | C14 | C15 | H141 | 121.3° | 127.8° |
| C6 | C14 | C15 | C16 | 155.7° | 156.8° |
| C14 | C6 | C9 | H91 | 176.3° | 70.1° |
| C14 | C6 | C9 | H92 | 64.0° | 170.5° |
| C14 | C6 | C7 | H71 | 0.9° | 0.0° |
| C6 | C14 | C15 | H151 | 36.5° | 38.4° |
| C6 | C14 | C15 | H152 | 85.0° | 84.9° |
| C14 | C15 | C16 | H151 | 119.2° | 118.3° |
| C14 | C15 | C16 | H152 | 119.2° | 118.3° |
| C14 | C15 | C16 | H161 | 119.7° | 95.5° |
| C14 | C15 | C16 | H162 | 118.9° | 142.9° |
| C14 | C15 | H151 | H152 | 122.1° | 123.3° |
| C16 | C15 | C14 | H141 | 83.0° | 75.4° |
| C15 | C16 | C17 | H171 | 81.9° | 114.9° |
| C15 | C16 | H161 | H162 | 122.1° | 121.5° |
| C16 | C15 | H151 | H152 | 122.2° | 123.4° |
| H141 | C14 | C15 | H151 | 157.8° | 166.3° |
| H141 | C14 | C15 | H152 | 36.3° | 42.9° |
| H91 | C9 | C11 | H111 | 53.2° | 48.9° |
| H91 | C9 | C11 | H112 | 66.1° | 167.8° |
| H92 | C9 | C11 | H111 | 172.9° | 70.4° |
| H92 | C9 | C11 | H112 | 53.5° | 48.5° |
| H111 | C11 | C12 | H121 | 174.1° | 60.3° |
| H111 | C11 | C12 | H122 | 55.1° | 60.6° |
| H112 | C11 | C12 | H121 | 54.8° | 179.2° |
| H112 | C11 | C12 | H122 | 64.2° | 58.3° |
| H181 | C18 | H182 | H183 | 120.0° | 119.9° |
| H211 | C21 | H212 | H213 | 120.0° | 120.0° |
| H211 | C21 | C20 | H201 | 65.2° | 180.0° |
| H212 | C21 | C20 | H201 | 54.8° | 60.1° |
| H213 | C21 | C20 | H201 | 174.8° | 60.0° |
| H231 | C23 | C22 | H221 | 166.9° | 60.0° |
| H231 | C23 | C22 | H222 | 74.3° | 180.0° |
| H231 | C23 | C24 | H241 | 178.5° | 180.0° |
| H231 | C23 | C24 | H242 | 60.3° | 60.0° |
| H232 | C23 | C22 | H221 | 48.4° | 180.0° |
| H232 | C23 | C22 | H222 | 167.2° | 60.0° |
| H232 | C23 | C24 | H241 | 63.0° | 60.0° |
| H232 | C23 | C24 | H242 | 178.8° | 180.0° |
| H171 | C17 | C16 | H161 | 37.3° | 4.3° |
| H171 | C17 | C16 | H162 | 158.8° | 125.9° |
| H171 | C17 | C20 | H201 | 78.7° | 179.3° |
| H71 | C7 | C28 | H61 | 162.5° | 180.0° |
| H41 | C4 | C3 | H31 | 53.9° | 57.4° |
| H41 | C4 | O4 | H39 | 63.6° | 60.6° |
| H31 | C3 | C2 | H21 | 62.5° | 66.1° |
| H31 | C3 | C2 | H22 | 57.5° | 174.1° |
| H31 | C3 | O2 | HO2 | 60.6° | 60.1° |
| H21 | C2 | C1 | H11 | 61.2° | 62.5° |
| H22 | C2 | C1 | H11 | 178.7° | 57.3° |
| H11 | C1 | O1 | HO1 | 60.7° | 60.5° |
| H161 | C16 | C15 | H151 | 121.1° | 146.2° |
| H161 | C16 | C15 | H152 | 0.4° | 22.8° |
| H162 | C16 | C15 | H151 | 0.4° | 24.7° |
| H162 | C16 | C15 | H152 | 121.9° | 98.8° |
| H201 | C20 | C22 | H221 | 172.3° | 175.0° |
| H201 | C20 | C22 | H222 | 68.9° | 65.0° |
| H261 | C26 | H262 | H263 | 120.0° | 120.0° |
| H271 | C27 | H272 | H273 | 119.9° | 120.0° |
