KH1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C3 | sing | 1.43Å | 1.47Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C1 | C2 | sing | 1.53Å | 1.58Å | |
| C1 | C10 | sing | 1.52Å | 1.49Å | |
| C1 | O1 | sing | 1.43Å | 1.43Å | |
| C1 | HC1 | sing | 1.09Å | 1.11Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C2 | HC21 | sing | 1.09Å | 1.11Å | |
| C2 | HC22 | sing | 1.09Å | 1.12Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | HC3 | sing | 1.09Å | 1.12Å | |
| C4 | C5 | sing | 1.52Å | 1.51Å | |
| C4 | HC41 | sing | 1.09Å | 1.11Å | |
| C4 | HC42 | sing | 1.09Å | 1.12Å | |
| C5 | C6 | doub | 1.35Å | 1.36Å | |
| C5 | C10 | sing | 1.48Å | 1.48Å | |
| C6 | C7 | sing | 1.46Å | 1.46Å | |
| C6 | HC6 | sing | 1.08Å | 1.10Å | |
| C7 | C8 | doub | 1.33Å | 1.34Å | |
| C7 | HC7 | sing | 1.08Å | 1.10Å | |
| C8 | C9 | sing | 1.52Å | 1.50Å | |
| C8 | C14 | sing | 1.50Å | 1.48Å | |
| C9 | C11 | sing | 1.53Å | 1.58Å | |
| C9 | HC91 | sing | 1.09Å | 1.11Å | |
| C9 | HC92 | sing | 1.09Å | 1.11Å | |
| C10 | C19 | doub | 1.33Å | 1.36Å | |
| C11 | C12 | sing | 1.54Å | 1.51Å | |
| C11 | H111 | sing | 1.09Å | 1.12Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| C12 | C13 | sing | 1.51Å | 1.54Å | |
| C12 | H121 | sing | 1.09Å | 1.11Å | |
| C12 | H122 | sing | 1.09Å | 1.12Å | |
| C13 | C14 | sing | 1.56Å | 1.59Å | |
| C13 | C17 | sing | 1.52Å | 1.52Å | |
| C13 | C18 | sing | 1.53Å | 1.57Å | |
| C14 | C15 | sing | 1.53Å | 1.55Å | |
| C14 | H14 | sing | 1.09Å | 1.11Å | |
| C15 | C16 | sing | 1.55Å | 1.57Å | |
| C15 | H151 | sing | 1.09Å | 1.12Å | |
| C15 | H152 | sing | 1.09Å | 1.11Å | |
| C16 | C17 | sing | 1.55Å | 1.58Å | |
| C16 | H161 | sing | 1.09Å | 1.12Å | |
| C16 | H162 | sing | 1.09Å | 1.11Å | |
| C17 | C20 | sing | 1.53Å | 1.54Å | |
| C17 | H17 | sing | 1.09Å | 1.11Å | |
| C18 | H181 | sing | 1.09Å | 1.11Å | |
| C18 | H182 | sing | 1.09Å | 1.12Å | |
| C18 | H183 | sing | 1.09Å | 1.12Å | |
| C19 | H191 | sing | 1.08Å | 1.10Å | |
| C19 | H192 | sing | 1.08Å | 1.10Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C20 | O4 | sing | 1.43Å | 1.41Å | |
| C20 | C21 | sing | 1.53Å | 1.56Å | |
| C20 | H20 | sing | 1.09Å | 1.12Å | |
| O4 | C22 | sing | 1.43Å | 1.45Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C22 | H221 | sing | 1.09Å | 1.12Å | |
| C22 | H222 | sing | 1.09Å | 1.12Å | |
| C23 | C24 | sing | 1.53Å | 1.51Å | |
| C23 | H231 | sing | 1.09Å | 1.11Å | |
| C23 | H232 | sing | 1.09Å | 1.11Å | |
| C25 | O3 | sing | 1.43Å | 1.41Å | |
| C25 | C26 | sing | 1.53Å | 1.51Å | |
| C25 | C27 | sing | 1.53Å | 1.51Å | |
| C25 | C24 | sing | 1.53Å | 1.52Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C26 | C29 | sing | 1.53Å | 1.54Å | |
| C26 | H261 | sing | 1.09Å | 1.12Å | |
| C26 | H262 | sing | 1.09Å | 1.12Å | |
| C27 | C28 | sing | 1.53Å | 1.56Å | |
| C27 | H271 | sing | 1.09Å | 1.11Å | |
| C27 | H272 | sing | 1.09Å | 1.12Å | |
| C21 | H211 | sing | 1.09Å | 1.12Å | |
| C21 | H212 | sing | 1.09Å | 1.11Å | |
| C21 | H213 | sing | 1.09Å | 1.11Å | |
| C24 | H241 | sing | 1.09Å | 1.12Å | |
| C24 | H242 | sing | 1.09Å | 1.12Å | |
| C28 | H281 | sing | 1.09Å | 1.11Å | |
| C28 | H282 | sing | 1.09Å | 1.12Å | |
| C28 | H283 | sing | 1.09Å | 1.11Å | |
| C29 | H291 | sing | 1.09Å | 1.12Å | |
| C29 | H292 | sing | 1.09Å | 1.11Å | |
| C29 | H293 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | O2 | HO2 | 109.6° | 106.8° |
| O2 | C3 | C2 | 109.6° | 109.3° |
| O2 | C3 | C4 | 110.2° | 109.5° |
| O2 | C3 | HC3 | 108.9° | 109.4° |
| C2 | C1 | C10 | 113.1° | 108.3° |
| C2 | C1 | O1 | 109.1° | 109.7° |
| C2 | C1 | HC1 | 108.1° | 109.7° |
| C1 | C2 | C3 | 110.4° | 109.8° |
| C1 | C2 | HC21 | 111.9° | 109.4° |
| C1 | C2 | HC22 | 111.9° | 109.4° |
| C10 | C1 | O1 | 111.9° | 109.9° |
| C10 | C1 | HC1 | 105.1° | 109.6° |
| C1 | C10 | C5 | 114.8° | 116.5° |
| C1 | C10 | C19 | 124.1° | 121.6° |
| O1 | C1 | HC1 | 109.3° | 109.6° |
| C1 | O1 | HO1 | 109.1° | 106.8° |
| C3 | C2 | HC21 | 111.9° | 109.4° |
| C3 | C2 | HC22 | 111.8° | 109.4° |
| C2 | C3 | C4 | 109.2° | 109.8° |
| C2 | C3 | HC3 | 109.8° | 109.4° |
| HC21 | C2 | HC22 | 98.5° | 109.4° |
| C4 | C3 | HC3 | 109.2° | 109.4° |
| C3 | C4 | C5 | 114.6° | 108.4° |
| C3 | C4 | HC41 | 110.4° | 109.7° |
| C3 | C4 | HC42 | 110.3° | 109.7° |
| C5 | C4 | HC41 | 110.3° | 109.7° |
| C5 | C4 | HC42 | 110.3° | 109.7° |
| C4 | C5 | C6 | 120.4° | 121.6° |
| C4 | C5 | C10 | 114.3° | 116.8° |
| HC41 | C4 | HC42 | 99.9° | 109.7° |
| C6 | C5 | C10 | 125.3° | 121.6° |
| C5 | C6 | C7 | 127.3° | 120.0° |
| C5 | C6 | HC6 | 112.1° | 120.0° |
| C5 | C10 | C19 | 121.0° | 121.9° |
| C7 | C6 | HC6 | 120.6° | 120.0° |
| C6 | C7 | C8 | 125.8° | 120.0° |
| C6 | C7 | HC7 | 122.1° | 120.0° |
| C8 | C7 | HC7 | 112.1° | 120.0° |
| C7 | C8 | C9 | 126.0° | 122.4° |
| C7 | C8 | C14 | 121.5° | 122.4° |
| C9 | C8 | C14 | 112.4° | 115.2° |
| C8 | C9 | C11 | 107.5° | 110.8° |
| C8 | C9 | HC91 | 113.0° | 109.3° |
| C8 | C9 | HC92 | 113.0° | 109.2° |
| C8 | C14 | C13 | 112.9° | 106.0° |
| C8 | C14 | C15 | 121.2° | 116.7° |
| C8 | C14 | H14 | 96.2° | 110.7° |
| C11 | C9 | HC91 | 112.9° | 109.2° |
| C11 | C9 | HC92 | 112.9° | 109.2° |
| C9 | C11 | C12 | 114.8° | 111.8° |
| C9 | C11 | H111 | 110.3° | 109.0° |
| C9 | C11 | H112 | 110.3° | 109.0° |
| HC91 | C9 | HC92 | 97.5° | 109.1° |
| C10 | C19 | H191 | 121.0° | 120.0° |
| C10 | C19 | H192 | 124.1° | 120.0° |
| C12 | C11 | H111 | 110.3° | 109.1° |
| C12 | C11 | H112 | 110.3° | 109.0° |
| C11 | C12 | C13 | 110.1° | 108.2° |
| C11 | C12 | H121 | 112.0° | 109.8° |
| C11 | C12 | H122 | 112.0° | 109.9° |
| H111 | C11 | H112 | 100.0° | 108.9° |
| C13 | C12 | H121 | 112.0° | 109.3° |
| C13 | C12 | H122 | 112.0° | 109.8° |
| C12 | C13 | C14 | 107.2° | 107.7° |
| C12 | C13 | C17 | 117.5° | 119.0° |
| C12 | C13 | C18 | 109.9° | 109.2° |
| H121 | C12 | H122 | 98.4° | 109.9° |
| C14 | C13 | C17 | 99.3° | 103.2° |
| C14 | C13 | C18 | 110.6° | 107.8° |
| C13 | C14 | C15 | 103.1° | 101.3° |
| C13 | C14 | H14 | 116.6° | 110.9° |
| C17 | C13 | C18 | 111.7° | 109.3° |
| C13 | C17 | C16 | 104.9° | 105.2° |
| C13 | C17 | C20 | 116.8° | 110.3° |
| C13 | C17 | H17 | 108.9° | 110.4° |
| C13 | C18 | H181 | 109.9° | 109.5° |
| C13 | C18 | H182 | 112.1° | 109.4° |
| C13 | C18 | H183 | 112.1° | 109.4° |
| C15 | C14 | H14 | 107.4° | 110.7° |
| C14 | C15 | C16 | 105.0° | 102.8° |
| C14 | C15 | H151 | 113.8° | 110.7° |
| C14 | C15 | H152 | 113.9° | 110.7° |
| C16 | C15 | H151 | 113.9° | 110.8° |
| C16 | C15 | H152 | 113.9° | 110.8° |
| C15 | C16 | C17 | 104.3° | 106.3° |
| C15 | C16 | H161 | 114.2° | 110.1° |
| C15 | C16 | H162 | 114.2° | 110.1° |
| H151 | C15 | H152 | 96.6° | 110.8° |
| C17 | C16 | H161 | 114.2° | 110.1° |
| C17 | C16 | H162 | 114.2° | 110.1° |
| C16 | C17 | C20 | 112.8° | 110.3° |
| C16 | C17 | H17 | 113.3° | 110.3° |
| H161 | C16 | H162 | 96.3° | 110.1° |
| C20 | C17 | H17 | 100.3° | 110.2° |
| C17 | C20 | O4 | 105.6° | 109.5° |
| C17 | C20 | C21 | 109.0° | 109.5° |
| C17 | C20 | H20 | 112.4° | 109.4° |
| H181 | C18 | H182 | 112.1° | 109.6° |
| H181 | C18 | H183 | 112.0° | 109.5° |
| H182 | C18 | H183 | 98.3° | 109.4° |
| H191 | C19 | H192 | 114.8° | 120.0° |
| O4 | C20 | C21 | 109.9° | 109.5° |
| O4 | C20 | H20 | 111.5° | 109.5° |
| C20 | O4 | C22 | 116.8° | 106.8° |
| C21 | C20 | H20 | 108.4° | 109.5° |
| C20 | C21 | H211 | 108.9° | 109.5° |
| C20 | C21 | H212 | 112.4° | 109.5° |
| C20 | C21 | H213 | 112.4° | 109.5° |
| O4 | C22 | C23 | 111.1° | 109.5° |
| O4 | C22 | H221 | 111.6° | 109.5° |
| O4 | C22 | H222 | 111.6° | 109.4° |
| C23 | C22 | H221 | 111.6° | 109.5° |
| C23 | C22 | H222 | 111.6° | 109.5° |
| C22 | C23 | C24 | 103.8° | 109.5° |
| C22 | C23 | H231 | 114.4° | 109.4° |
| C22 | C23 | H232 | 114.4° | 109.4° |
| H221 | C22 | H222 | 98.8° | 109.5° |
| C24 | C23 | H231 | 114.4° | 109.6° |
| C24 | C23 | H232 | 114.3° | 109.4° |
| C23 | C24 | C25 | 117.7° | 109.5° |
| C23 | C24 | H241 | 109.2° | 109.5° |
| C23 | C24 | H242 | 109.3° | 109.4° |
| H231 | C23 | H232 | 96.1° | 109.5° |
| O3 | C25 | C26 | 103.0° | 109.4° |
| O3 | C25 | C27 | 107.0° | 109.6° |
| O3 | C25 | C24 | 113.1° | 109.5° |
| C25 | O3 | HO3 | 102.9° | 106.7° |
| C26 | C25 | C27 | 111.7° | 109.4° |
| C26 | C25 | C24 | 115.3° | 109.5° |
| C25 | C26 | C29 | 115.9° | 109.5° |
| C25 | C26 | H261 | 109.9° | 109.5° |
| C25 | C26 | H262 | 109.9° | 109.5° |
| C27 | C25 | C24 | 106.6° | 109.4° |
| C25 | C27 | C28 | 112.5° | 109.5° |
| C25 | C27 | H271 | 111.1° | 109.6° |
| C25 | C27 | H272 | 111.1° | 109.5° |
| C25 | C24 | H241 | 109.2° | 109.5° |
| C25 | C24 | H242 | 109.2° | 109.5° |
| C29 | C26 | H261 | 109.9° | 109.5° |
| C29 | C26 | H262 | 109.9° | 109.5° |
| C26 | C29 | H291 | 115.9° | 109.5° |
| C26 | C29 | H292 | 109.9° | 109.5° |
| C26 | C29 | H293 | 109.8° | 109.5° |
| H261 | C26 | H262 | 100.3° | 109.4° |
| C28 | C27 | H271 | 111.1° | 109.4° |
| C28 | C27 | H272 | 111.0° | 109.4° |
| C27 | C28 | H281 | 112.6° | 109.5° |
| C27 | C28 | H282 | 111.1° | 109.4° |
| C27 | C28 | H283 | 111.1° | 109.4° |
| H271 | C27 | H272 | 99.3° | 109.5° |
| H211 | C21 | H212 | 112.4° | 109.5° |
| H211 | C21 | H213 | 112.4° | 109.4° |
| H212 | C21 | H213 | 98.1° | 109.5° |
| H241 | C24 | H242 | 100.8° | 109.5° |
| H281 | C28 | H282 | 111.0° | 109.5° |
| H281 | C28 | H283 | 111.1° | 109.4° |
| H282 | C28 | H283 | 99.3° | 109.5° |
| H291 | C29 | H292 | 109.9° | 109.5° |
| H291 | C29 | H293 | 109.8° | 109.4° |
| H292 | C29 | H293 | 100.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C3 | C2 | C1 | 64.8° | 173.7° |
| O2 | C3 | C2 | C4 | 120.8° | 120.2° |
| O2 | C3 | C2 | HC3 | 119.5° | 119.8° |
| O2 | C3 | C2 | HC21 | 60.5° | 53.6° |
| O2 | C3 | C2 | HC22 | 170.0° | 66.3° |
| O2 | C3 | C4 | HC3 | 119.5° | 119.9° |
| O2 | C3 | C4 | C5 | 66.2° | 177.7° |
| O2 | C3 | C4 | HC41 | 59.1° | 62.5° |
| O2 | C3 | C4 | HC42 | 168.5° | 57.9° |
| HO2 | O2 | C3 | C2 | 180.0° | 179.7° |
| HO2 | O2 | C3 | C4 | 59.8° | 60.0° |
| HO2 | O2 | C3 | HC3 | 59.9° | 59.9° |
| C2 | C1 | C10 | O1 | 123.8° | 119.8° |
| C2 | C1 | C10 | HC1 | 117.7° | 119.6° |
| C2 | C1 | O1 | HC1 | 118.0° | 120.5° |
| C1 | C2 | C3 | HC21 | 125.3° | 120.1° |
| C1 | C2 | C3 | HC22 | 125.3° | 120.1° |
| C1 | C2 | HC21 | HC22 | 117.8° | 119.8° |
| C1 | C2 | C3 | C4 | 56.0° | 66.2° |
| C1 | C2 | C3 | HC3 | 175.7° | 53.9° |
| C2 | C1 | C10 | C5 | 47.2° | 47.0° |
| C2 | C1 | C10 | C19 | 129.4° | 133.4° |
| C2 | C1 | O1 | HO1 | 180.0° | 180.0° |
| C10 | C1 | O1 | HC1 | 116.0° | 120.5° |
| C10 | C1 | C2 | C3 | 54.2° | 57.9° |
| C10 | C1 | C2 | HC21 | 179.4° | 178.0° |
| C10 | C1 | C2 | HC22 | 71.1° | 62.3° |
| C1 | C10 | C5 | C4 | 43.6° | 43.5° |
| C1 | C10 | C5 | C6 | 139.4° | 136.8° |
| C1 | C10 | C5 | C19 | 176.8° | 179.7° |
| C1 | C10 | C19 | H191 | 3.5° | 180.0° |
| C1 | C10 | C19 | H192 | 180.0° | 0.1° |
| C10 | C1 | O1 | HO1 | 54.0° | 61.0° |
| O1 | C1 | C2 | C3 | 179.4° | 62.1° |
| O1 | C1 | C2 | HC21 | 55.3° | 58.0° |
| O1 | C1 | C2 | HC22 | 54.2° | 177.8° |
| O1 | C1 | C10 | C5 | 171.0° | 72.9° |
| O1 | C1 | C10 | C19 | 5.7° | 106.8° |
| HC1 | C1 | C2 | C3 | 61.7° | 177.4° |
| HC1 | C1 | C2 | HC21 | 63.6° | 62.5° |
| HC1 | C1 | C2 | HC22 | 173.0° | 57.3° |
| HC1 | C1 | C10 | C5 | 70.5° | 166.6° |
| HC1 | C1 | C10 | C19 | 112.9° | 13.7° |
| HC1 | C1 | O1 | HO1 | 62.0° | 59.5° |
| C3 | C2 | HC21 | HC22 | 117.7° | 119.9° |
| C2 | C3 | C4 | HC3 | 120.0° | 120.1° |
| C2 | C3 | C4 | C5 | 54.2° | 57.7° |
| C2 | C3 | C4 | HC41 | 179.5° | 177.4° |
| C2 | C3 | C4 | HC42 | 71.1° | 62.1° |
| HC21 | C2 | C3 | C4 | 178.7° | 173.7° |
| HC21 | C2 | C3 | HC3 | 59.0° | 66.2° |
| HC22 | C2 | C3 | C4 | 69.2° | 53.9° |
| HC22 | C2 | C3 | HC3 | 50.4° | 173.9° |
| C3 | C4 | C5 | HC41 | 125.3° | 119.8° |
| C3 | C4 | C5 | HC42 | 125.3° | 119.7° |
| C3 | C4 | HC41 | HC42 | 116.1° | 120.5° |
| C3 | C4 | C5 | C6 | 135.2° | 133.4° |
| C3 | C4 | C5 | C10 | 47.6° | 46.9° |
| HC3 | C3 | C4 | C5 | 174.2° | 62.4° |
| HC3 | C3 | C4 | HC41 | 60.5° | 57.3° |
| HC3 | C3 | C4 | HC42 | 49.0° | 177.8° |
| C5 | C4 | HC41 | HC42 | 116.2° | 120.5° |
| C4 | C5 | C6 | C10 | 176.8° | 179.7° |
| C4 | C5 | C6 | C7 | 177.6° | 180.0° |
| C4 | C5 | C6 | HC6 | 2.5° | 0.0° |
| C4 | C5 | C10 | C19 | 133.1° | 136.9° |
| HC41 | C4 | C5 | C6 | 9.9° | 13.6° |
| HC41 | C4 | C5 | C10 | 172.9° | 166.7° |
| HC42 | C4 | C5 | C6 | 99.5° | 106.9° |
| HC42 | C4 | C5 | C10 | 77.7° | 72.8° |
| C5 | C6 | C7 | HC6 | 179.9° | 180.0° |
| C5 | C6 | C7 | C8 | 152.6° | 180.0° |
| C5 | C6 | C7 | HC7 | 27.4° | 0.0° |
| C6 | C5 | C10 | C19 | 43.9° | 42.9° |
| C10 | C5 | C6 | C7 | 5.6° | 0.3° |
| C10 | C5 | C6 | HC6 | 174.3° | 179.7° |
| C5 | C10 | C19 | H191 | 179.9° | 0.3° |
| C5 | C10 | C19 | H192 | 3.5° | 179.6° |
| C6 | C7 | C8 | HC7 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.5° | 0.1° |
| C6 | C7 | C8 | C14 | 176.0° | 180.0° |
| HC6 | C6 | C7 | C8 | 27.4° | 0.0° |
| HC6 | C6 | C7 | HC7 | 152.7° | NaN° |
| C7 | C8 | C9 | C14 | 175.9° | 180.0° |
| C7 | C8 | C9 | C11 | 120.9° | 129.8° |
| C7 | C8 | C9 | HC91 | 113.8° | 109.8° |
| C7 | C8 | C9 | HC92 | 4.3° | 9.4° |
| C7 | C8 | C14 | C13 | 116.0° | 122.3° |
| C7 | C8 | C14 | C15 | 7.0° | 10.4° |
| C7 | C8 | C14 | H14 | 121.7° | 117.4° |
| HC7 | C7 | C8 | C9 | 179.5° | 180.0° |
| HC7 | C7 | C8 | C14 | 4.0° | 0.0° |
| C8 | C9 | C11 | HC91 | 125.3° | 120.4° |
| C8 | C9 | C11 | HC92 | 125.3° | 120.3° |
| C8 | C9 | HC91 | HC92 | 118.9° | 119.4° |
| C8 | C9 | C11 | C12 | 55.0° | 48.6° |
| C8 | C9 | C11 | H111 | 179.8° | 169.2° |
| C8 | C9 | C11 | H112 | 70.3° | 72.0° |
| C9 | C8 | C14 | C13 | 60.1° | 57.8° |
| C9 | C8 | C14 | C15 | 176.9° | 169.6° |
| C9 | C8 | C14 | H14 | 62.2° | 62.5° |
| C14 | C8 | C9 | C11 | 55.0° | 50.2° |
| C14 | C8 | C9 | HC91 | 70.3° | 70.1° |
| C14 | C8 | C9 | HC92 | 179.8° | 170.6° |
| C8 | C14 | C13 | C12 | 57.7° | 65.5° |
| C8 | C14 | C13 | C15 | 132.5° | 122.3° |
| C8 | C14 | C13 | H14 | 110.1° | 120.2° |
| C8 | C14 | C13 | C17 | 179.6° | 167.7° |
| C8 | C14 | C13 | C18 | 62.0° | 52.2° |
| C8 | C14 | C15 | H14 | 108.8° | 127.8° |
| C8 | C14 | C15 | C16 | 158.9° | 156.8° |
| C8 | C14 | C15 | H151 | 33.6° | 84.9° |
| C8 | C14 | C15 | H152 | 75.9° | 38.5° |
| C11 | C9 | HC91 | HC92 | 118.8° | 119.4° |
| C9 | C11 | C12 | H111 | 125.3° | 120.6° |
| C9 | C11 | C12 | H112 | 125.3° | 120.5° |
| C9 | C11 | H111 | H112 | 116.1° | 118.8° |
| C9 | C11 | C12 | C13 | 56.9° | 58.8° |
| C9 | C11 | C12 | H121 | 68.4° | 60.5° |
| C9 | C11 | C12 | H122 | 177.9° | 178.6° |
| HC91 | C9 | C11 | C12 | 70.3° | 71.8° |
| HC91 | C9 | C11 | H111 | 54.9° | 48.9° |
| HC91 | C9 | C11 | H112 | 164.4° | 167.7° |
| HC92 | C9 | C11 | C12 | 179.8° | 168.9° |
| HC92 | C9 | C11 | H111 | 54.5° | 70.4° |
| HC92 | C9 | C11 | H112 | 54.9° | 48.4° |
| C10 | C19 | H191 | H192 | 176.9° | 179.9° |
| C12 | C11 | H111 | H112 | 116.1° | 118.9° |
| C11 | C12 | C13 | H121 | 125.3° | 119.5° |
| C11 | C12 | C13 | H122 | 125.2° | 119.9° |
| C11 | C12 | H121 | H122 | 117.9° | 121.0° |
| C11 | C12 | C13 | C14 | 54.6° | 67.1° |
| C11 | C12 | C13 | C17 | 165.1° | 176.1° |
| C11 | C12 | C13 | C18 | 65.7° | 49.7° |
| H111 | C11 | C12 | C13 | 177.8° | 179.4° |
| H111 | C11 | C12 | H121 | 56.9° | 60.2° |
| H111 | C11 | C12 | H122 | 52.6° | 60.8° |
| H112 | C11 | C12 | C13 | 68.4° | 61.8° |
| H112 | C11 | C12 | H121 | 166.3° | 179.0° |
| H112 | C11 | C12 | H122 | 56.8° | 58.0° |
| C13 | C12 | H121 | H122 | 117.9° | 120.5° |
| C12 | C13 | C14 | C17 | 122.7° | 126.7° |
| C12 | C13 | C14 | C18 | 119.8° | 117.8° |
| C12 | C13 | C17 | C18 | 128.3° | 126.4° |
| C12 | C13 | C14 | C15 | 169.8° | 172.2° |
| C12 | C13 | C14 | H14 | 52.4° | 54.7° |
| C12 | C13 | C17 | C16 | 159.4° | 149.4° |
| C12 | C13 | C17 | C20 | 74.9° | 91.7° |
| C12 | C13 | C17 | H17 | 37.7° | 30.4° |
| C12 | C13 | C18 | H181 | 180.0° | 59.3° |
| C12 | C13 | C18 | H182 | 54.7° | 179.4° |
| C12 | C13 | C18 | H183 | 54.7° | 60.8° |
| H121 | C12 | C13 | C14 | 70.7° | 52.4° |
| H121 | C12 | C13 | C17 | 39.8° | 64.4° |
| H121 | C12 | C13 | C18 | 169.1° | 169.2° |
| H122 | C12 | C13 | C14 | 179.8° | 173.0° |
| H122 | C12 | C13 | C17 | 69.7° | 56.2° |
| H122 | C12 | C13 | C18 | 59.6° | 70.2° |
| C14 | C13 | C17 | C18 | 116.7° | 114.5° |
| C13 | C14 | C15 | H14 | 123.7° | 117.6° |
| C13 | C14 | C15 | C16 | 31.4° | 42.2° |
| C13 | C14 | C15 | H151 | 93.9° | 160.5° |
| C13 | C14 | C15 | H152 | 156.7° | 76.1° |
| C14 | C13 | C17 | C16 | 44.4° | 30.2° |
| C14 | C13 | C17 | C20 | 170.1° | 149.1° |
| C14 | C13 | C17 | H17 | 77.2° | 88.8° |
| C14 | C13 | C18 | H181 | 61.9° | 57.5° |
| C14 | C13 | C18 | H182 | 172.8° | 62.6° |
| C14 | C13 | C18 | H183 | 63.4° | 177.6° |
| C17 | C13 | C14 | C15 | 47.1° | 45.5° |
| C17 | C13 | C14 | H14 | 70.3° | 72.1° |
| C13 | C17 | C16 | C15 | 25.9° | 4.0° |
| C13 | C17 | C16 | C20 | 128.2° | 118.9° |
| C13 | C17 | C16 | H17 | 118.6° | 119.1° |
| C13 | C17 | C16 | H161 | 99.3° | 123.1° |
| C13 | C17 | C16 | H162 | 151.2° | 115.3° |
| C13 | C17 | C20 | H17 | 117.4° | 122.2° |
| C17 | C13 | C18 | H181 | 47.7° | 169.0° |
| C17 | C13 | C18 | H182 | 77.6° | 48.8° |
| C17 | C13 | C18 | H183 | 173.0° | 71.0° |
| C13 | C17 | C20 | O4 | 40.5° | 61.4° |
| C13 | C17 | C20 | C21 | 158.5° | 178.5° |
| C13 | C17 | C20 | H20 | 81.3° | 58.6° |
| C18 | C13 | C14 | C15 | 70.5° | 70.0° |
| C18 | C13 | C14 | H14 | 172.1° | 172.4° |
| C18 | C13 | C17 | C16 | 72.3° | 84.3° |
| C18 | C13 | C17 | C20 | 53.4° | 34.6° |
| C18 | C13 | C17 | H17 | 166.1° | 156.7° |
| C13 | C18 | H181 | H182 | 125.3° | 120.0° |
| C13 | C18 | H181 | H183 | 125.3° | 120.0° |
| C13 | C18 | H182 | H183 | 118.0° | 119.9° |
| C14 | C15 | C16 | H151 | 125.2° | 118.3° |
| C14 | C15 | C16 | H152 | 125.3° | 118.3° |
| C14 | C15 | H151 | H152 | 119.8° | 123.3° |
| C14 | C15 | C16 | C17 | 4.3° | 24.1° |
| C14 | C15 | C16 | H161 | 129.5° | 95.0° |
| C14 | C15 | C16 | H162 | 121.0° | 143.4° |
| H14 | C14 | C15 | C16 | 92.3° | 75.4° |
| H14 | C14 | C15 | H151 | 142.4° | 42.9° |
| H14 | C14 | C15 | H152 | 32.9° | 166.3° |
| C16 | C15 | H151 | H152 | 119.8° | 123.4° |
| C15 | C16 | C17 | H161 | 125.3° | 119.2° |
| C15 | C16 | C17 | H162 | 125.3° | 119.2° |
| C15 | C16 | H161 | H162 | 120.1° | 121.6° |
| C15 | C16 | C17 | C20 | 154.2° | 122.9° |
| C15 | C16 | C17 | H17 | 92.7° | 115.1° |
| H151 | C15 | C16 | C17 | 120.9° | 142.4° |
| H151 | C15 | C16 | H161 | 4.3° | 23.3° |
| H151 | C15 | C16 | H162 | 113.8° | 98.3° |
| H152 | C15 | C16 | C17 | 129.6° | 94.1° |
| H152 | C15 | C16 | H161 | 105.2° | 146.7° |
| H152 | C15 | C16 | H162 | 4.3° | 25.1° |
| C17 | C16 | H161 | H162 | 120.0° | 121.6° |
| C16 | C17 | C20 | H17 | 120.9° | 122.0° |
| C16 | C17 | C20 | O4 | 162.2° | 177.2° |
| C16 | C17 | C20 | C21 | 79.8° | 62.8° |
| C16 | C17 | C20 | H20 | 40.4° | 57.2° |
| H161 | C16 | C17 | C20 | 28.9° | 117.9° |
| H161 | C16 | C17 | H17 | 142.0° | 4.1° |
| H162 | C16 | C17 | C20 | 80.5° | 3.7° |
| H162 | C16 | C17 | H17 | 32.6° | 125.7° |
| C17 | C20 | O4 | C21 | 117.4° | 120.0° |
| C17 | C20 | O4 | H20 | 122.4° | 120.0° |
| C17 | C20 | C21 | H20 | 122.6° | 119.9° |
| C17 | C20 | O4 | C22 | 146.6° | 150.0° |
| C17 | C20 | C21 | H211 | 180.0° | 60.0° |
| C17 | C20 | C21 | H212 | 54.8° | 180.0° |
| C17 | C20 | C21 | H213 | 54.8° | 60.0° |
| H17 | C17 | C20 | O4 | 76.9° | 60.8° |
| H17 | C17 | C20 | C21 | 41.1° | 59.3° |
| H17 | C17 | C20 | H20 | 161.3° | 179.2° |
| H181 | C18 | H182 | H183 | 117.9° | 120.0° |
| O4 | C20 | C21 | H20 | 122.1° | 120.0° |
| C20 | O4 | C22 | C23 | 24.8° | 180.0° |
| C20 | O4 | C22 | H221 | 150.1° | 60.0° |
| C20 | O4 | C22 | H222 | 100.4° | 60.0° |
| O4 | C20 | C21 | H211 | 64.7° | 60.0° |
| O4 | C20 | C21 | H212 | 170.0° | 60.0° |
| O4 | C20 | C21 | H213 | 60.5° | 180.0° |
| C21 | C20 | O4 | C22 | 96.1° | 90.0° |
| C20 | C21 | H211 | H212 | 125.2° | 120.0° |
| C20 | C21 | H211 | H213 | 125.2° | 120.0° |
| C20 | C21 | H212 | H213 | 118.3° | 120.0° |
| H20 | C20 | O4 | C22 | 24.1° | 30.0° |
| H20 | C20 | C21 | H211 | 57.4° | 180.0° |
| H20 | C20 | C21 | H212 | 67.9° | 60.0° |
| H20 | C20 | C21 | H213 | 177.4° | 60.0° |
| O4 | C22 | C23 | H221 | 125.3° | 120.0° |
| O4 | C22 | C23 | H222 | 125.3° | 120.0° |
| O4 | C22 | H221 | H222 | 117.5° | 120.0° |
| O4 | C22 | C23 | C24 | 148.9° | 180.0° |
| O4 | C22 | C23 | H231 | 23.7° | 59.9° |
| O4 | C22 | C23 | H232 | 85.8° | 60.1° |
| C23 | C22 | H221 | H222 | 117.5° | 120.0° |
| C22 | C23 | C24 | H231 | 125.3° | 120.0° |
| C22 | C23 | C24 | H232 | 125.2° | 119.9° |
| C22 | C23 | H231 | H232 | 120.3° | 119.9° |
| C22 | C23 | C24 | C25 | 143.9° | 174.9° |
| C22 | C23 | C24 | H241 | 18.6° | 54.8° |
| C22 | C23 | C24 | H242 | 90.9° | 65.1° |
| H221 | C22 | C23 | C24 | 85.8° | 60.0° |
| H221 | C22 | C23 | H231 | 148.9° | 179.9° |
| H221 | C22 | C23 | H232 | 39.4° | 59.9° |
| H222 | C22 | C23 | C24 | 23.7° | 60.1° |
| H222 | C22 | C23 | H231 | 101.6° | 60.0° |
| H222 | C22 | C23 | H232 | 148.9° | 180.0° |
| C24 | C23 | H231 | H232 | 120.2° | 120.1° |
| C23 | C24 | C25 | O3 | 22.6° | 64.3° |
| C23 | C24 | C25 | C26 | 95.5° | 175.7° |
| C23 | C24 | C25 | C27 | 139.9° | 55.8° |
| C23 | C24 | C25 | H241 | 125.3° | 120.0° |
| C23 | C24 | C25 | H242 | 125.3° | 120.0° |
| C23 | C24 | H241 | H242 | 115.0° | 119.9° |
| H231 | C23 | C24 | C25 | 90.9° | 65.1° |
| H231 | C23 | C24 | H241 | 143.9° | 174.9° |
| H231 | C23 | C24 | H242 | 34.4° | 54.9° |
| H232 | C23 | C24 | C25 | 18.6° | 55.0° |
| H232 | C23 | C24 | H241 | 106.7° | 65.0° |
| H232 | C23 | C24 | H242 | 143.9° | 175.0° |
| O3 | C25 | C26 | C27 | 114.5° | 120.1° |
| O3 | C25 | C26 | C24 | 123.6° | 120.0° |
| O3 | C25 | C27 | C24 | 121.3° | 120.1° |
| O3 | C25 | C26 | C29 | 63.1° | 61.2° |
| O3 | C25 | C26 | H261 | 171.7° | 58.9° |
| O3 | C25 | C26 | H262 | 62.2° | 178.8° |
| O3 | C25 | C27 | C28 | 171.2° | 60.0° |
| O3 | C25 | C27 | H271 | 46.0° | 180.0° |
| O3 | C25 | C27 | H272 | 63.6° | 60.0° |
| O3 | C25 | C24 | H241 | 147.9° | 55.7° |
| O3 | C25 | C24 | H242 | 102.7° | 175.7° |
| C26 | C25 | C27 | C24 | 126.8° | 119.9° |
| C26 | C25 | O3 | HO3 | 179.9° | 180.0° |
| C25 | C26 | C29 | H261 | 125.3° | 120.0° |
| C25 | C26 | C29 | H262 | 125.3° | 120.0° |
| C25 | C26 | H261 | H262 | 115.7° | 120.0° |
| C26 | C25 | C27 | C28 | 76.8° | 60.0° |
| C26 | C25 | C27 | H271 | 157.9° | 59.9° |
| C26 | C25 | C27 | H272 | 48.4° | 180.0° |
| C26 | C25 | C24 | H241 | 29.8° | 64.2° |
| C26 | C25 | C24 | H242 | 139.2° | 55.8° |
| C25 | C26 | C29 | H291 | 180.0° | 174.1° |
| C25 | C26 | C29 | H292 | 54.8° | 65.8° |
| C25 | C26 | C29 | H293 | 54.8° | 54.2° |
| C27 | C25 | O3 | HO3 | 62.1° | 60.0° |
| C27 | C25 | C26 | C29 | 177.5° | 178.7° |
| C27 | C25 | C26 | H261 | 57.2° | 61.2° |
| C27 | C25 | C26 | H262 | 52.3° | 58.7° |
| C25 | C27 | C28 | H271 | 125.3° | 120.1° |
| C25 | C27 | C28 | H272 | 125.2° | 120.0° |
| C25 | C27 | H271 | H272 | 117.0° | 120.1° |
| C27 | C25 | C24 | H241 | 94.8° | 175.8° |
| C27 | C25 | C24 | H242 | 14.6° | 64.2° |
| C25 | C27 | C28 | H281 | 180.0° | 179.9° |
| C25 | C27 | C28 | H282 | 54.8° | 60.0° |
| C25 | C27 | C28 | H283 | 54.7° | 60.0° |
| C24 | C25 | O3 | HO3 | 55.0° | 60.0° |
| C24 | C25 | C26 | C29 | 60.6° | 58.8° |
| C24 | C25 | C26 | H261 | 64.7° | 178.8° |
| C24 | C25 | C26 | H262 | 174.2° | 61.2° |
| C24 | C25 | C27 | C28 | 50.0° | 180.0° |
| C24 | C25 | C27 | H271 | 75.3° | 60.0° |
| C24 | C25 | C27 | H272 | 175.2° | 60.1° |
| C25 | C24 | H241 | H242 | 114.9° | 120.1° |
| C29 | C26 | H261 | H262 | 115.7° | 120.0° |
| C26 | C29 | H291 | H292 | 125.2° | 120.0° |
| C26 | C29 | H291 | H293 | 125.2° | 120.0° |
| C26 | C29 | H292 | H293 | 115.7° | 120.0° |
| H261 | C26 | C29 | H291 | 54.7° | 54.1° |
| H261 | C26 | C29 | H292 | 180.0° | 174.1° |
| H261 | C26 | C29 | H293 | 70.5° | 65.8° |
| H262 | C26 | C29 | H291 | 54.7° | 65.9° |
| H262 | C26 | C29 | H292 | 70.5° | 54.1° |
| H262 | C26 | C29 | H293 | 179.9° | 174.2° |
| C28 | C27 | H271 | H272 | 116.9° | 119.9° |
| C27 | C28 | H281 | H282 | 125.3° | 120.0° |
| C27 | C28 | H281 | H283 | 125.3° | 120.0° |
| C27 | C28 | H282 | H283 | 117.0° | 120.0° |
| H271 | C27 | C28 | H281 | 54.8° | 60.0° |
| H271 | C27 | C28 | H282 | 179.9° | 60.1° |
| H271 | C27 | C28 | H283 | 70.5° | 180.0° |
| H272 | C27 | C28 | H281 | 54.7° | 59.9° |
| H272 | C27 | C28 | H282 | 70.5° | 180.0° |
| H272 | C27 | C28 | H283 | 180.0° | 60.0° |
| H211 | C21 | H212 | H213 | 118.4° | 120.0° |
| H281 | C28 | H282 | H283 | 116.9° | 120.0° |
| H291 | C29 | H292 | H293 | 115.7° | 120.0° |
