C3O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C4 | sing | 1.52Å | 1.54Å | |
| C5 | C10 | sing | 1.48Å | 1.55Å | |
| C5 | C6 | doub | 1.35Å | 1.35Å | |
| C4 | C3 | sing | 1.53Å | 1.58Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C3 | C2 | sing | 1.53Å | 1.60Å | |
| C3 | O2 | sing | 1.43Å | 1.41Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | C1 | sing | 1.53Å | 1.60Å | |
| C2 | O28 | sing | 1.43Å | 1.42Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | C10 | sing | 1.52Å | 1.58Å | |
| C1 | O1 | sing | 1.43Å | 1.41Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | C19 | doub | 1.33Å | 1.38Å | |
| C6 | C7 | sing | 1.46Å | 1.46Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | C8 | doub | 1.33Å | 1.35Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | C14 | sing | 1.50Å | 1.53Å | |
| C8 | C9 | sing | 1.52Å | 1.55Å | |
| C14 | C13 | sing | 1.55Å | 1.62Å | |
| C14 | C15 | sing | 1.53Å | 1.60Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | C12 | sing | 1.51Å | 1.60Å | |
| C13 | C17 | sing | 1.52Å | 1.57Å | |
| C13 | C18 | sing | 1.53Å | 1.61Å | |
| C12 | C11 | sing | 1.54Å | 1.57Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C11 | C9 | sing | 1.53Å | 1.56Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C15 | C16 | sing | 1.56Å | 1.56Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.55Å | 1.57Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C17 | C20 | sing | 1.53Å | 1.62Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C19 | H192 | sing | 1.08Å | 1.08Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C20 | C22 | sing | 1.53Å | 1.56Å | |
| C20 | C21 | sing | 1.53Å | 1.54Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | 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 | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H213 | sing | 1.09Å | 1.10Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C24 | C25 | sing | 1.53Å | 1.59Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C25 | O25 | sing | 1.43Å | 1.42Å | |
| C25 | C27 | sing | 1.53Å | 1.56Å | |
| C25 | C26 | sing | 1.53Å | 1.56Å | |
| O25 | H25 | sing | 0.97Å | 0.95Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C27 | H273 | 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 | |
| O28 | C29 | sing | 1.43Å | 1.41Å | |
| C29 | C30 | sing | 1.53Å | 1.56Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C31 | H313 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C5 | C10 | 114.3° | 116.8° |
| C4 | C5 | C6 | 118.3° | 121.6° |
| C5 | C4 | C3 | 113.8° | 108.3° |
| C5 | C4 | H41 | 107.0° | 109.7° |
| C5 | C4 | H42 | 108.0° | 109.7° |
| C10 | C5 | C6 | 127.4° | 121.6° |
| C5 | C10 | C1 | 113.5° | 116.7° |
| C5 | C10 | C19 | 124.7° | 121.6° |
| C5 | C6 | C7 | 128.7° | 120.0° |
| C5 | C6 | H6 | 115.7° | 120.0° |
| C3 | C4 | H41 | 107.0° | 109.7° |
| C3 | C4 | H42 | 108.1° | 109.6° |
| C4 | C3 | C2 | 110.7° | 109.8° |
| C4 | C3 | O2 | 109.1° | 109.3° |
| C4 | C3 | H3 | 108.8° | 109.4° |
| H41 | C4 | H42 | 113.0° | 109.7° |
| C2 | C3 | O2 | 109.0° | 109.4° |
| C2 | C3 | H3 | 108.8° | 109.5° |
| C3 | C2 | C1 | 112.2° | 109.7° |
| C3 | C2 | O28 | 106.0° | 109.4° |
| C3 | C2 | H2 | 110.6° | 109.4° |
| O2 | C3 | H3 | 110.4° | 109.4° |
| C3 | O2 | HO2 | 109.5° | 106.8° |
| C1 | C2 | O28 | 111.2° | 109.4° |
| C1 | C2 | H2 | 105.3° | 109.5° |
| C2 | C1 | C10 | 109.1° | 108.3° |
| C2 | C1 | O1 | 107.8° | 109.8° |
| C2 | C1 | H1 | 111.5° | 109.6° |
| O28 | C2 | H2 | 111.6° | 109.4° |
| C2 | O28 | C29 | 120.6° | 106.8° |
| C10 | C1 | O1 | 111.5° | 109.7° |
| C10 | C1 | H1 | 107.9° | 109.7° |
| C1 | C10 | C19 | 121.9° | 121.6° |
| O1 | C1 | H1 | 109.1° | 109.7° |
| C1 | O1 | HO1 | 109.5° | 106.8° |
| C10 | C19 | H191 | 127.8° | 120.0° |
| C10 | C19 | H192 | 104.5° | 120.0° |
| C7 | C6 | H6 | 115.7° | 120.0° |
| C6 | C7 | C8 | 128.1° | 120.0° |
| C6 | C7 | H7 | 116.0° | 120.0° |
| C8 | C7 | H7 | 116.0° | 120.0° |
| C7 | C8 | C14 | 124.4° | 122.4° |
| C7 | C8 | C9 | 123.2° | 122.4° |
| C14 | C8 | C9 | 112.4° | 115.2° |
| C8 | C14 | C13 | 110.9° | 105.8° |
| C8 | C14 | C15 | 120.9° | 116.1° |
| C8 | C14 | H14 | 98.1° | 110.7° |
| C8 | C9 | C11 | 115.5° | 110.7° |
| C8 | C9 | H91 | 106.1° | 109.2° |
| C8 | C9 | H92 | 107.5° | 109.2° |
| C13 | C14 | C15 | 101.5° | 101.6° |
| C13 | C14 | H14 | 118.6° | 111.4° |
| C14 | C13 | C12 | 106.6° | 107.7° |
| C14 | C13 | C17 | 97.6° | 102.7° |
| C14 | C13 | C18 | 112.7° | 109.0° |
| C15 | C14 | H14 | 108.0° | 110.7° |
| C14 | C15 | C16 | 105.3° | 102.2° |
| C14 | C15 | H151 | 111.8° | 110.8° |
| C14 | C15 | H152 | 110.9° | 111.2° |
| C12 | C13 | C17 | 117.3° | 118.4° |
| C12 | C13 | C18 | 106.3° | 109.3° |
| C13 | C12 | C11 | 116.8° | 107.6° |
| C13 | C12 | H121 | 105.4° | 109.9° |
| C13 | C12 | H122 | 107.1° | 109.8° |
| C17 | C13 | C18 | 115.9° | 109.3° |
| C13 | C17 | C16 | 102.4° | 105.1° |
| C13 | C17 | C20 | 117.3° | 110.3° |
| C13 | C17 | H17 | 110.4° | 110.3° |
| C13 | C18 | H181 | 109.5° | 109.5° |
| C13 | C18 | H182 | 109.5° | 109.5° |
| C13 | C18 | H183 | 109.5° | 109.4° |
| C11 | C12 | H121 | 105.4° | 109.9° |
| C11 | C12 | H122 | 107.1° | 109.8° |
| C12 | C11 | C9 | 116.6° | 111.8° |
| C12 | C11 | H111 | 105.5° | 109.0° |
| C12 | C11 | H112 | 107.2° | 109.0° |
| H121 | C12 | H122 | 115.4° | 109.9° |
| C9 | C11 | H111 | 105.5° | 109.0° |
| C9 | C11 | H112 | 107.1° | 109.0° |
| C11 | C9 | H91 | 106.1° | 109.2° |
| C11 | C9 | H92 | 107.5° | 109.2° |
| H111 | C11 | H112 | 115.3° | 109.0° |
| H91 | C9 | H92 | 114.3° | 109.2° |
| C16 | C15 | H151 | 111.8° | 110.7° |
| C16 | C15 | H152 | 110.9° | 110.8° |
| C15 | C16 | C17 | 105.6° | 106.3° |
| C15 | C16 | H161 | 111.6° | 110.1° |
| C15 | C16 | H162 | 110.8° | 110.1° |
| H151 | C15 | H152 | 106.3° | 110.8° |
| C17 | C16 | H161 | 111.6° | 110.1° |
| C17 | C16 | H162 | 110.8° | 110.1° |
| C16 | C17 | C20 | 112.9° | 110.4° |
| C16 | C17 | H17 | 115.1° | 110.3° |
| H161 | C16 | H162 | 106.5° | 110.1° |
| C20 | C17 | H17 | 99.4° | 110.3° |
| C17 | C20 | C22 | 118.5° | 109.5° |
| C17 | C20 | C21 | 110.7° | 109.5° |
| C17 | C20 | H20 | 101.1° | 109.4° |
| H191 | C19 | H192 | 127.8° | 120.0° |
| C22 | C20 | C21 | 106.4° | 109.5° |
| C22 | C20 | H20 | 105.9° | 109.5° |
| C20 | C22 | C23 | 111.7° | 109.5° |
| C20 | C22 | H221 | 108.2° | 109.5° |
| C20 | C22 | H222 | 108.7° | 109.5° |
| C21 | C20 | H20 | 114.4° | 109.5° |
| C20 | C21 | H211 | 109.5° | 109.5° |
| C20 | C21 | H212 | 109.5° | 109.5° |
| C20 | C21 | H213 | 109.5° | 109.4° |
| C23 | C22 | H221 | 108.3° | 109.4° |
| C23 | C22 | H222 | 108.7° | 109.5° |
| C22 | C23 | C24 | 114.0° | 109.5° |
| C22 | C23 | H231 | 107.0° | 109.4° |
| C22 | C23 | H232 | 108.0° | 109.5° |
| H221 | C22 | H222 | 111.2° | 109.4° |
| H181 | C18 | H182 | 109.5° | 109.5° |
| H181 | C18 | H183 | 109.5° | 109.5° |
| H182 | C18 | H183 | 109.5° | 109.5° |
| H211 | C21 | H212 | 109.5° | 109.5° |
| H211 | C21 | H213 | 109.4° | 109.5° |
| H212 | C21 | H213 | 109.5° | 109.5° |
| C24 | C23 | H231 | 106.9° | 109.5° |
| C24 | C23 | H232 | 108.0° | 109.5° |
| C23 | C24 | C25 | 118.2° | 109.5° |
| C23 | C24 | H241 | 104.7° | 109.5° |
| C23 | C24 | H242 | 106.7° | 109.4° |
| H231 | C23 | H232 | 113.1° | 109.4° |
| C25 | C24 | H241 | 104.7° | 109.5° |
| C25 | C24 | H242 | 106.7° | 109.5° |
| C24 | C25 | O25 | 111.0° | 109.5° |
| C24 | C25 | C27 | 109.8° | 109.5° |
| C24 | C25 | C26 | 110.6° | 109.5° |
| H241 | C24 | H242 | 116.6° | 109.4° |
| O25 | C25 | C27 | 108.1° | 109.4° |
| O25 | C25 | C26 | 109.5° | 109.5° |
| C25 | O25 | H25 | 109.5° | 106.7° |
| C27 | C25 | C26 | 107.8° | 109.5° |
| C25 | C27 | H271 | 109.5° | 109.4° |
| C25 | C27 | H272 | 109.5° | 109.5° |
| C25 | C27 | H273 | 109.5° | 109.4° |
| C25 | C26 | H261 | 109.5° | 109.4° |
| C25 | C26 | H262 | 109.5° | 109.5° |
| C25 | C26 | H263 | 109.5° | 109.5° |
| H271 | C27 | H272 | 109.5° | 109.5° |
| H271 | C27 | H273 | 109.4° | 109.5° |
| H272 | C27 | H273 | 109.5° | 109.5° |
| H261 | C26 | H262 | 109.5° | 109.5° |
| H261 | C26 | H263 | 109.5° | 109.4° |
| H262 | C26 | H263 | 109.4° | 109.5° |
| O28 | C29 | C30 | 109.6° | 109.4° |
| O28 | C29 | H291 | 109.4° | 109.5° |
| O28 | C29 | H292 | 109.4° | 109.5° |
| C30 | C29 | H291 | 109.4° | 109.4° |
| C30 | C29 | H292 | 109.4° | 109.5° |
| C29 | C30 | C31 | 114.1° | 109.4° |
| C29 | C30 | H301 | 106.9° | 109.4° |
| C29 | C30 | H302 | 108.0° | 109.5° |
| H291 | C29 | H292 | 109.6° | 109.5° |
| C31 | C30 | H301 | 106.9° | 109.5° |
| C31 | C30 | H302 | 107.9° | 109.5° |
| C30 | C31 | H311 | 109.4° | 109.5° |
| C30 | C31 | H312 | 109.5° | 109.5° |
| C30 | C31 | H313 | 109.5° | 109.4° |
| H301 | C30 | H302 | 113.2° | 109.5° |
| H311 | C31 | H312 | 109.5° | 109.5° |
| H311 | C31 | H313 | 109.5° | 109.5° |
| H312 | C31 | H313 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C5 | C10 | C6 | 179.7° | 180.0° |
| C5 | C4 | C3 | H41 | 118.1° | 119.7° |
| C5 | C4 | C3 | H42 | 120.0° | 119.8° |
| C5 | C4 | H41 | H42 | 118.8° | 120.6° |
| C5 | C4 | C3 | C2 | 49.3° | 57.7° |
| C5 | C4 | C3 | O2 | 70.6° | 177.8° |
| C5 | C4 | C3 | H3 | 168.9° | 62.5° |
| C4 | C5 | C10 | C1 | 51.8° | 43.2° |
| C4 | C5 | C10 | C19 | 126.8° | 137.0° |
| C4 | C5 | C6 | C7 | 179.8° | 180.0° |
| C4 | C5 | C6 | H6 | 0.2° | 0.0° |
| C10 | C5 | C4 | C3 | 48.9° | 46.6° |
| C10 | C5 | C4 | H41 | 167.0° | 73.1° |
| C10 | C5 | C4 | H42 | 71.1° | 166.3° |
| C5 | C10 | C1 | C2 | 54.2° | 46.7° |
| C5 | C10 | C1 | C19 | 178.7° | 179.9° |
| C5 | C10 | C1 | O1 | 173.1° | 73.1° |
| C5 | C10 | C1 | H1 | 67.1° | 166.3° |
| C10 | C5 | C6 | C7 | 0.1° | 0.0° |
| C10 | C5 | C6 | H6 | 179.8° | 180.0° |
| C5 | C10 | C19 | H191 | 179.2° | 0.1° |
| C5 | C10 | C19 | H192 | 0.8° | 180.0° |
| C6 | C5 | C4 | C3 | 130.8° | 133.4° |
| C6 | C5 | C4 | H41 | 12.8° | 106.9° |
| C6 | C5 | C4 | H42 | 109.2° | 13.7° |
| C6 | C5 | C10 | C1 | 127.9° | 136.8° |
| C6 | C5 | C10 | C19 | 53.5° | 43.1° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 146.0° | 180.0° |
| C5 | C6 | C7 | H7 | 34.0° | 0.0° |
| C3 | C4 | H41 | H42 | 118.8° | 120.5° |
| C4 | C3 | C2 | O2 | 120.0° | 120.0° |
| C4 | C3 | C2 | H3 | 119.5° | 120.1° |
| C4 | C3 | O2 | H3 | 119.5° | 119.8° |
| C4 | C3 | C2 | C1 | 53.6° | 66.3° |
| C4 | C3 | C2 | O28 | 68.0° | 173.6° |
| C4 | C3 | C2 | H2 | 170.9° | 53.8° |
| C4 | C3 | O2 | HO2 | 79.5° | 59.7° |
| H41 | C4 | C3 | C2 | 167.4° | 62.0° |
| H41 | C4 | C3 | O2 | 47.4° | 58.0° |
| H41 | C4 | C3 | H3 | 73.1° | 177.8° |
| H42 | C4 | C3 | C2 | 70.6° | 177.4° |
| H42 | C4 | C3 | O2 | 169.4° | 62.5° |
| H42 | C4 | C3 | H3 | 48.9° | 57.3° |
| C2 | C3 | O2 | H3 | 119.5° | 119.9° |
| C3 | C2 | C1 | O28 | 118.5° | 120.0° |
| C3 | C2 | C1 | H2 | 120.4° | 120.1° |
| C3 | C2 | O28 | H2 | 120.5° | 119.8° |
| C3 | C2 | C1 | C10 | 55.7° | 57.8° |
| C3 | C2 | C1 | O1 | 176.9° | 62.0° |
| C3 | C2 | C1 | H1 | 63.3° | 177.5° |
| C2 | C3 | O2 | HO2 | 159.6° | 180.0° |
| C3 | C2 | O28 | C29 | 126.9° | 149.9° |
| O2 | C3 | C2 | C1 | 66.4° | 173.7° |
| O2 | C3 | C2 | O28 | 172.0° | 53.6° |
| O2 | C3 | C2 | H2 | 50.9° | 66.2° |
| H3 | C3 | C2 | C1 | 173.1° | 53.8° |
| H3 | C3 | C2 | O28 | 51.5° | 66.2° |
| H3 | C3 | C2 | H2 | 69.6° | 174.0° |
| H3 | C3 | O2 | HO2 | 40.1° | 60.1° |
| C1 | C2 | O28 | H2 | 117.3° | 119.9° |
| C2 | C1 | C10 | O1 | 118.9° | 119.9° |
| C2 | C1 | C10 | H1 | 121.3° | 119.6° |
| C2 | C1 | O1 | H1 | 121.3° | 120.5° |
| C2 | C1 | C10 | C19 | 124.5° | 133.4° |
| C2 | C1 | O1 | HO1 | 100.7° | 179.0° |
| C1 | C2 | O28 | C29 | 110.9° | 89.9° |
| O28 | C2 | C1 | C10 | 62.8° | 177.9° |
| O28 | C2 | C1 | O1 | 58.4° | 58.1° |
| O28 | C2 | C1 | H1 | 178.2° | 62.5° |
| C2 | O28 | C29 | C30 | 89.8° | 180.0° |
| C2 | O28 | C29 | H291 | 150.2° | 60.0° |
| C2 | O28 | C29 | H292 | 30.1° | 60.0° |
| H2 | C2 | C1 | C10 | 176.1° | 62.3° |
| H2 | C2 | C1 | O1 | 62.7° | 177.9° |
| H2 | C2 | C1 | H1 | 57.1° | 57.4° |
| H2 | C2 | O28 | C29 | 6.4° | 30.0° |
| C10 | C1 | O1 | H1 | 119.0° | 120.5° |
| C1 | C10 | C19 | H191 | 0.7° | 179.9° |
| C1 | C10 | C19 | H192 | 179.3° | 0.1° |
| C10 | C1 | O1 | HO1 | 139.6° | 60.1° |
| O1 | C1 | C10 | C19 | 5.5° | 106.7° |
| H1 | C1 | C10 | C19 | 114.2° | 13.8° |
| H1 | C1 | O1 | HO1 | 20.6° | 60.5° |
| C10 | C19 | H191 | H192 | 180.0° | 180.0° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | C14 | 179.4° | 179.7° |
| C6 | C7 | C8 | C9 | 0.1° | 0.0° |
| H6 | C6 | C7 | C8 | 34.0° | 0.0° |
| H6 | C6 | C7 | H7 | 146.0° | 179.9° |
| C7 | C8 | C14 | C9 | 179.4° | 179.7° |
| C7 | C8 | C14 | C13 | 117.4° | 121.9° |
| C7 | C8 | C14 | C15 | 1.1° | 10.0° |
| C7 | C8 | C14 | H14 | 117.8° | 117.4° |
| C7 | C8 | C9 | C11 | 133.7° | 129.8° |
| C7 | C8 | C9 | H91 | 16.4° | 109.9° |
| C7 | C8 | C9 | H92 | 106.3° | 9.5° |
| H7 | C7 | C8 | C14 | 0.6° | 0.3° |
| H7 | C7 | C8 | C9 | 179.9° | 179.9° |
| C8 | C14 | C13 | C15 | 129.6° | 121.7° |
| C8 | C14 | C13 | H14 | 112.3° | 120.3° |
| C8 | C14 | C15 | H14 | 111.5° | 127.3° |
| C8 | C14 | C13 | C12 | 61.2° | 66.3° |
| C8 | C14 | C13 | C17 | 177.3° | 168.0° |
| C8 | C14 | C13 | C18 | 55.0° | 52.2° |
| C14 | C8 | C9 | C11 | 45.7° | 50.0° |
| C14 | C8 | C9 | H91 | 163.0° | 70.3° |
| C14 | C8 | C9 | H92 | 74.3° | 170.3° |
| C8 | C14 | C15 | C16 | 150.9° | 157.3° |
| C8 | C14 | C15 | H151 | 87.5° | 84.7° |
| C8 | C14 | C15 | H152 | 30.9° | 39.0° |
| C9 | C8 | C14 | C13 | 62.0° | 57.9° |
| C9 | C8 | C14 | C15 | 179.5° | 169.8° |
| C9 | C8 | C14 | H14 | 62.8° | 62.9° |
| C8 | C9 | C11 | C12 | 31.4° | 48.6° |
| C8 | C9 | C11 | H91 | 117.2° | 120.3° |
| C8 | C9 | C11 | H92 | 120.0° | 120.3° |
| C8 | C9 | C11 | H111 | 148.1° | 169.2° |
| C8 | C9 | C11 | H112 | 88.5° | 72.0° |
| C8 | C9 | H91 | H92 | 118.3° | 119.4° |
| C13 | C14 | C15 | H14 | 125.4° | 118.4° |
| C14 | C13 | C12 | C17 | 108.0° | 115.8° |
| C14 | C13 | C12 | C18 | 120.4° | 118.3° |
| C14 | C13 | C17 | C18 | 119.8° | 115.7° |
| C14 | C13 | C12 | C11 | 47.4° | 68.0° |
| C14 | C13 | C12 | H121 | 69.2° | 51.6° |
| C14 | C13 | C12 | H122 | 167.4° | 172.6° |
| C13 | C14 | C15 | C16 | 27.8° | 43.0° |
| C13 | C14 | C15 | H151 | 149.4° | 161.0° |
| C13 | C14 | C15 | H152 | 92.2° | 75.3° |
| C14 | C13 | C17 | C16 | 50.3° | 30.5° |
| C14 | C13 | C17 | C20 | 174.4° | 149.5° |
| C14 | C13 | C17 | H17 | 72.8° | 88.4° |
| C14 | C13 | C18 | H181 | 119.7° | 58.2° |
| C14 | C13 | C18 | H182 | 0.3° | 61.8° |
| C14 | C13 | C18 | H183 | 120.3° | 178.2° |
| C15 | C14 | C13 | C12 | 169.2° | 172.0° |
| C15 | C14 | C13 | C17 | 47.7° | 46.3° |
| C15 | C14 | C13 | C18 | 74.6° | 69.6° |
| C14 | C15 | C16 | H151 | 121.6° | 118.0° |
| C14 | C15 | C16 | H152 | 120.0° | 118.6° |
| C14 | C15 | H151 | H152 | 121.1° | 124.0° |
| C14 | C15 | C16 | C17 | 3.2° | 24.4° |
| C14 | C15 | C16 | H161 | 124.7° | 94.8° |
| C14 | C15 | C16 | H162 | 116.8° | 143.6° |
| H14 | C14 | C13 | C12 | 51.1° | 54.0° |
| H14 | C14 | C13 | C17 | 70.4° | 71.7° |
| H14 | C14 | C13 | C18 | 167.3° | 172.5° |
| H14 | C14 | C15 | C16 | 97.6° | 75.4° |
| H14 | C14 | C15 | H151 | 24.0° | 42.6° |
| H14 | C14 | C15 | H152 | 142.4° | 166.3° |
| C12 | C13 | C17 | C18 | 127.1° | 125.9° |
| C13 | C12 | C11 | H121 | 116.6° | 119.6° |
| C13 | C12 | C11 | H122 | 120.0° | 119.5° |
| C13 | C12 | H121 | H122 | 117.9° | 120.9° |
| C13 | C12 | C11 | C9 | 34.5° | 59.1° |
| C13 | C12 | C11 | H111 | 151.1° | 179.7° |
| C13 | C12 | C11 | H112 | 85.5° | 61.5° |
| C12 | C13 | C17 | C16 | 163.4° | 148.9° |
| C12 | C13 | C17 | C20 | 72.4° | 92.1° |
| C12 | C13 | C17 | H17 | 40.4° | 30.0° |
| C12 | C13 | C18 | H181 | 124.0° | 59.3° |
| C12 | C13 | C18 | H182 | 116.1° | 179.3° |
| C12 | C13 | C18 | H183 | 4.0° | 60.7° |
| C17 | C13 | C12 | C11 | 155.4° | 176.3° |
| C17 | C13 | C12 | H121 | 38.8° | 64.2° |
| C17 | C13 | C12 | H122 | 84.6° | 56.8° |
| C13 | C17 | C16 | C15 | 34.3° | 4.0° |
| C13 | C17 | C16 | C20 | 127.1° | 119.0° |
| C13 | C17 | C16 | H17 | 119.8° | 118.9° |
| C13 | C17 | C16 | H161 | 155.7° | 123.2° |
| C13 | C17 | C16 | H162 | 85.7° | 115.2° |
| C13 | C17 | C20 | H17 | 118.9° | 122.1° |
| C13 | C17 | C20 | C22 | 81.6° | 180.0° |
| C13 | C17 | C20 | C21 | 155.2° | 60.0° |
| C13 | C17 | C20 | H20 | 33.6° | 60.0° |
| C17 | C13 | C18 | H181 | 8.4° | 169.7° |
| C17 | C13 | C18 | H182 | 111.5° | 49.7° |
| C17 | C13 | C18 | H183 | 128.4° | 70.3° |
| C18 | C13 | C12 | C11 | 73.0° | 50.3° |
| C18 | C13 | C12 | H121 | 170.4° | 169.9° |
| C18 | C13 | C12 | H122 | 47.0° | 69.1° |
| C18 | C13 | C17 | C16 | 69.6° | 85.2° |
| C18 | C13 | C17 | C20 | 54.6° | 33.8° |
| C18 | C13 | C17 | H17 | 167.4° | 155.9° |
| C13 | C18 | H181 | H182 | 120.0° | 120.0° |
| C13 | C18 | H181 | H183 | 120.0° | 120.0° |
| C13 | C18 | H182 | H183 | 120.0° | 120.0° |
| C11 | C12 | H121 | H122 | 117.9° | 120.9° |
| C12 | C11 | C9 | H111 | 116.7° | 120.6° |
| C12 | C11 | C9 | H112 | 120.0° | 120.6° |
| C12 | C11 | H111 | H112 | 118.0° | 118.9° |
| C12 | C11 | C9 | H91 | 148.7° | 71.7° |
| C12 | C11 | C9 | H92 | 88.6° | 168.9° |
| H121 | C12 | C11 | C9 | 82.2° | 60.5° |
| H121 | C12 | C11 | H111 | 34.5° | 60.1° |
| H121 | C12 | C11 | H112 | 157.9° | 178.9° |
| H122 | C12 | C11 | C9 | 154.4° | 178.6° |
| H122 | C12 | C11 | H111 | 88.9° | 60.8° |
| H122 | C12 | C11 | H112 | 34.5° | 58.0° |
| C9 | C11 | H111 | H112 | 118.0° | 118.9° |
| C11 | C9 | H91 | H92 | 118.3° | 119.4° |
| H111 | C11 | C9 | H91 | 94.6° | 48.9° |
| H111 | C11 | C9 | H92 | 28.1° | 70.5° |
| H112 | C11 | C9 | H91 | 28.7° | 167.7° |
| H112 | C11 | C9 | H92 | 151.5° | 48.3° |
| C16 | C15 | H151 | H152 | 121.1° | 123.3° |
| C15 | C16 | C17 | H161 | 121.4° | 119.2° |
| C15 | C16 | C17 | H162 | 120.0° | 119.2° |
| C15 | C16 | H161 | H162 | 121.0° | 121.6° |
| C15 | C16 | C17 | C20 | 161.4° | 122.9° |
| C15 | C16 | C17 | H17 | 85.5° | 114.9° |
| H151 | C15 | C16 | C17 | 118.3° | 142.5° |
| H151 | C15 | C16 | H161 | 3.1° | 23.3° |
| H151 | C15 | C16 | H162 | 121.6° | 98.3° |
| H152 | C15 | C16 | C17 | 123.2° | 94.2° |
| H152 | C15 | C16 | H161 | 115.3° | 146.6° |
| H152 | C15 | C16 | H162 | 3.2° | 25.0° |
| C17 | C16 | H161 | H162 | 121.1° | 121.5° |
| C16 | C17 | C20 | H17 | 122.4° | 122.2° |
| C16 | C17 | C20 | C22 | 37.2° | 64.3° |
| C16 | C17 | C20 | C21 | 86.1° | 175.7° |
| C16 | C17 | C20 | H20 | 152.3° | 55.7° |
| H161 | C16 | C17 | C20 | 77.1° | 117.8° |
| H161 | C16 | C17 | H17 | 36.0° | 4.3° |
| H162 | C16 | C17 | C20 | 41.4° | 3.7° |
| H162 | C16 | C17 | H17 | 154.5° | 125.9° |
| C17 | C20 | C22 | C21 | 125.4° | 120.0° |
| C17 | C20 | C22 | H20 | 112.5° | 120.0° |
| C17 | C20 | C21 | H20 | 113.4° | 120.0° |
| C17 | C20 | C22 | C23 | 138.7° | 175.0° |
| C17 | C20 | C22 | H221 | 102.2° | 55.0° |
| C17 | C20 | C22 | H222 | 18.8° | 65.0° |
| C17 | C20 | C21 | H211 | 166.7° | 60.0° |
| C17 | C20 | C21 | H212 | 46.6° | 60.0° |
| C17 | C20 | C21 | H213 | 73.4° | 180.0° |
| H17 | C17 | C20 | C22 | 159.6° | 57.9° |
| H17 | C17 | C20 | C21 | 36.4° | 62.2° |
| H17 | C17 | C20 | H20 | 85.3° | 177.8° |
| C22 | C20 | C21 | H20 | 116.6° | 120.0° |
| C20 | C22 | C23 | H221 | 119.1° | 120.1° |
| C20 | C22 | C23 | H222 | 120.0° | 120.0° |
| C20 | C22 | H221 | H222 | 119.4° | 120.0° |
| C22 | C20 | C21 | H211 | 63.4° | 60.0° |
| C22 | C20 | C21 | H212 | 176.6° | 180.0° |
| C22 | C20 | C21 | H213 | 56.6° | 60.0° |
| C20 | C22 | C23 | C24 | 179.3° | 180.0° |
| C20 | C22 | C23 | H231 | 61.3° | 59.9° |
| C20 | C22 | C23 | H232 | 60.7° | 60.0° |
| C21 | C20 | C22 | C23 | 95.9° | 65.0° |
| C21 | C20 | C22 | H221 | 23.2° | 175.0° |
| C21 | C20 | C22 | H222 | 144.1° | 55.0° |
| C20 | C21 | H211 | H212 | 120.0° | 120.0° |
| C20 | C21 | H211 | H213 | 120.0° | 120.0° |
| C20 | C21 | H212 | H213 | 120.0° | 120.0° |
| H20 | C20 | C22 | C23 | 26.3° | 55.0° |
| H20 | C20 | C22 | H221 | 145.4° | 65.0° |
| H20 | C20 | C22 | H222 | 93.7° | 175.0° |
| H20 | C20 | C21 | H211 | 53.2° | 180.0° |
| H20 | C20 | C21 | H212 | 66.8° | 60.0° |
| H20 | C20 | C21 | H213 | 173.2° | 60.0° |
| C23 | C22 | H221 | H222 | 119.4° | 119.9° |
| C22 | C23 | C24 | H231 | 118.0° | 120.0° |
| C22 | C23 | C24 | H232 | 120.0° | 120.0° |
| C22 | C23 | H231 | H232 | 118.7° | 119.9° |
| C22 | C23 | C24 | C25 | 147.5° | 180.0° |
| C22 | C23 | C24 | H241 | 31.6° | 59.9° |
| C22 | C23 | C24 | H242 | 92.5° | 60.0° |
| H221 | C22 | C23 | C24 | 61.6° | 59.9° |
| H221 | C22 | C23 | H231 | 179.6° | 180.0° |
| H221 | C22 | C23 | H232 | 58.4° | 60.1° |
| H222 | C22 | C23 | C24 | 59.3° | 60.0° |
| H222 | C22 | C23 | H231 | 58.6° | 60.1° |
| H222 | C22 | C23 | H232 | 179.3° | 180.0° |
| H181 | C18 | H182 | H183 | 120.0° | 120.0° |
| H211 | C21 | H212 | H213 | 120.0° | 120.0° |
| C24 | C23 | H231 | H232 | 118.7° | 120.0° |
| C23 | C24 | C25 | H241 | 115.9° | 120.1° |
| C23 | C24 | C25 | H242 | 120.0° | 120.0° |
| C23 | C24 | H241 | H242 | 117.5° | 119.9° |
| C23 | C24 | C25 | O25 | 64.4° | 60.0° |
| C23 | C24 | C25 | C27 | 176.2° | 60.0° |
| C23 | C24 | C25 | C26 | 57.4° | NaN° |
| H231 | C23 | C24 | C25 | 94.5° | 60.0° |
| H231 | C23 | C24 | H241 | 149.6° | 180.0° |
| H231 | C23 | C24 | H242 | 25.5° | 60.0° |
| H232 | C23 | C24 | C25 | 27.5° | 60.0° |
| H232 | C23 | C24 | H241 | 88.3° | 60.1° |
| H232 | C23 | C24 | H242 | 147.6° | 180.0° |
| C25 | C24 | H241 | H242 | 117.5° | 120.0° |
| C24 | C25 | O25 | C27 | 120.4° | 120.0° |
| C24 | C25 | O25 | C26 | 122.4° | 120.1° |
| C24 | C25 | C27 | C26 | 120.5° | 120.0° |
| C24 | C25 | O25 | H25 | 66.2° | 60.0° |
| C24 | C25 | C27 | H271 | 69.6° | 60.0° |
| C24 | C25 | C27 | H272 | 170.4° | 180.0° |
| C24 | C25 | C27 | H273 | 50.4° | 60.0° |
| C24 | C25 | C26 | H261 | 130.2° | 60.0° |
| C24 | C25 | C26 | H262 | 10.2° | 180.0° |
| C24 | C25 | C26 | H263 | 109.8° | 59.9° |
| H241 | C24 | C25 | O25 | 51.5° | 180.0° |
| H241 | C24 | C25 | C27 | 67.9° | 60.1° |
| H241 | C24 | C25 | C26 | 173.2° | 59.9° |
| H242 | C24 | C25 | O25 | 175.6° | 60.0° |
| H242 | C24 | C25 | C27 | 56.2° | 180.0° |
| H242 | C24 | C25 | C26 | 62.6° | 60.0° |
| O25 | C25 | C27 | C26 | 118.3° | 120.0° |
| O25 | C25 | C27 | H271 | 169.2° | 180.0° |
| O25 | C25 | C27 | H272 | 49.3° | 60.0° |
| O25 | C25 | C27 | H273 | 70.8° | 60.0° |
| O25 | C25 | C26 | H261 | 107.2° | 60.0° |
| O25 | C25 | C26 | H262 | 132.8° | 60.0° |
| O25 | C25 | C26 | H263 | 12.9° | 180.0° |
| C27 | C25 | O25 | H25 | 54.2° | 180.0° |
| C25 | C27 | H271 | H272 | 120.0° | 120.0° |
| C25 | C27 | H271 | H273 | 120.0° | 119.9° |
| C25 | C27 | H272 | H273 | 120.0° | 120.0° |
| C27 | C25 | C26 | H261 | 10.2° | 180.0° |
| C27 | C25 | C26 | H262 | 109.8° | 60.0° |
| C27 | C25 | C26 | H263 | 130.2° | 60.1° |
| C26 | C25 | O25 | H25 | 171.4° | 60.0° |
| C26 | C25 | C27 | H271 | 50.9° | 60.0° |
| C26 | C25 | C27 | H272 | 69.0° | 60.0° |
| C26 | C25 | C27 | H273 | 170.9° | 180.0° |
| C25 | C26 | H261 | H262 | 120.0° | 120.0° |
| C25 | C26 | H261 | H263 | 120.0° | 120.0° |
| C25 | C26 | H262 | H263 | 120.0° | 120.1° |
| H271 | C27 | H272 | H273 | 120.0° | 120.1° |
| H261 | C26 | H262 | H263 | 120.0° | 120.0° |
| O28 | C29 | C30 | H291 | 119.9° | 119.9° |
| O28 | C29 | C30 | H292 | 120.0° | 120.0° |
| O28 | C29 | H291 | H292 | 120.0° | 120.0° |
| O28 | C29 | C30 | C31 | 118.5° | 180.0° |
| O28 | C29 | C30 | H301 | 0.5° | 60.1° |
| O28 | C29 | C30 | H302 | 121.5° | 60.0° |
| C30 | C29 | H291 | H292 | 119.9° | 120.0° |
| C29 | C30 | C31 | H301 | 117.9° | 119.9° |
| C29 | C30 | C31 | H302 | 120.0° | 120.0° |
| C29 | C30 | H301 | H302 | 118.7° | 120.0° |
| C29 | C30 | C31 | H311 | 25.8° | 60.0° |
| C29 | C30 | C31 | H312 | 94.2° | 60.1° |
| C29 | C30 | C31 | H313 | 145.8° | 180.0° |
| H291 | C29 | C30 | C31 | 121.6° | 60.0° |
| H291 | C29 | C30 | H301 | 120.5° | 180.0° |
| H291 | C29 | C30 | H302 | 1.6° | 60.0° |
| H292 | C29 | C30 | C31 | 1.5° | 60.0° |
| H292 | C29 | C30 | H301 | 119.5° | 60.0° |
| H292 | C29 | C30 | H302 | 118.5° | 180.0° |
| C31 | C30 | H301 | H302 | 118.7° | 120.1° |
| C30 | C31 | H311 | H312 | 120.0° | 120.0° |
| C30 | C31 | H311 | H313 | 120.0° | 120.0° |
| C30 | C31 | H312 | H313 | 120.0° | 120.0° |
| H301 | C30 | C31 | H311 | 143.8° | 59.9° |
| H301 | C30 | C31 | H312 | 23.7° | 180.0° |
| H301 | C30 | C31 | H313 | 96.2° | 60.0° |
| H302 | C30 | C31 | H311 | 94.2° | 180.0° |
| H302 | C30 | C31 | H312 | 145.8° | 59.9° |
| H302 | C30 | C31 | H313 | 25.8° | 60.0° |
| H311 | C31 | H312 | H313 | 120.0° | 120.0° |
