CO1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O24 | C22 | sing | 1.43Å | 1.45Å | |
| O24 | H24 | sing | 0.97Å | 0.95Å | |
| C22 | C18 | sing | 1.53Å | 1.58Å | |
| C22 | C19 | sing | 1.53Å | 1.57Å | |
| C22 | H22 | sing | 1.09Å | 1.11Å | |
| C18 | C14 | sing | 1.52Å | 1.58Å | |
| C18 | H181 | sing | 1.09Å | 1.11Å | |
| C18 | H182 | sing | 1.09Å | 1.11Å | |
| C14 | C9 | doub | 1.30Å | 1.38Å | |
| C14 | C7 | sing | 1.50Å | 1.62Å | |
| C9 | C4 | sing | 1.50Å | 1.54Å | |
| C9 | H9 | sing | 1.08Å | 1.10Å | |
| C4 | C1 | sing | 1.53Å | 1.59Å | |
| C4 | H41 | sing | 1.09Å | 1.12Å | |
| C4 | H42 | sing | 1.09Å | 1.11Å | |
| C1 | C3 | sing | 1.53Å | 1.59Å | |
| C1 | C2 | sing | 1.52Å | 1.59Å | |
| C1 | H1 | sing | 1.09Å | 1.12Å | |
| C3 | C8 | sing | 1.53Å | 1.59Å | |
| C3 | C7 | sing | 1.52Å | 1.63Å | |
| C3 | H3 | sing | 1.09Å | 1.11Å | |
| C8 | C11 | sing | 1.54Å | 1.56Å | |
| C8 | H81 | sing | 1.09Å | 1.12Å | |
| C8 | H82 | sing | 1.09Å | 1.11Å | |
| C11 | C5 | sing | 1.53Å | 1.60Å | |
| C11 | H111 | sing | 1.09Å | 1.11Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| C5 | C12 | sing | 1.53Å | 1.58Å | |
| C5 | C10 | sing | 1.53Å | 1.59Å | |
| C5 | C2 | sing | 1.55Å | 1.57Å | |
| C12 | H121 | sing | 1.09Å | 1.11Å | |
| C12 | H122 | sing | 1.09Å | 1.12Å | |
| C12 | H123 | sing | 1.09Å | 1.12Å | |
| C10 | C13 | sing | 1.55Å | 1.55Å | |
| C10 | C17 | sing | 1.53Å | 1.62Å | |
| C10 | H10 | sing | 1.09Å | 1.11Å | |
| C13 | C6 | sing | 1.55Å | 1.56Å | |
| C13 | H131 | sing | 1.09Å | 1.11Å | |
| C13 | H132 | sing | 1.09Å | 1.11Å | |
| C6 | C2 | sing | 1.53Å | 1.57Å | |
| C6 | H61 | sing | 1.09Å | 1.11Å | |
| C6 | H62 | sing | 1.09Å | 1.11Å | |
| C2 | H2 | sing | 1.09Å | 1.12Å | |
| C17 | C21 | sing | 1.53Å | 1.56Å | |
| C17 | C20 | sing | 1.53Å | 1.56Å | |
| C17 | H17 | sing | 1.09Å | 1.12Å | |
| C21 | H211 | sing | 1.09Å | 1.12Å | |
| C21 | H212 | sing | 1.09Å | 1.12Å | |
| C21 | H213 | sing | 1.09Å | 1.12Å | |
| C20 | C23 | sing | 1.53Å | 1.55Å | |
| C20 | H201 | sing | 1.09Å | 1.12Å | |
| C20 | H202 | sing | 1.09Å | 1.11Å | |
| C23 | C25 | sing | 1.53Å | 1.54Å | |
| C23 | H231 | sing | 1.09Å | 1.11Å | |
| C23 | H232 | sing | 1.09Å | 1.12Å | |
| C25 | O27 | sing | 1.43Å | 1.40Å | |
| C25 | C26 | sing | 1.53Å | 1.50Å | |
| C25 | H25 | sing | 1.09Å | 1.11Å | |
| O27 | C26 | sing | 1.43Å | 1.48Å | |
| C26 | C28 | sing | 1.53Å | 1.56Å | |
| C26 | C29 | sing | 1.53Å | 1.52Å | |
| C28 | H281 | sing | 1.09Å | 1.11Å | |
| C28 | H282 | sing | 1.09Å | 1.12Å | |
| C28 | H283 | sing | 1.09Å | 1.12Å | |
| C29 | H291 | sing | 1.09Å | 1.11Å | |
| C29 | H292 | sing | 1.09Å | 1.12Å | |
| C29 | H293 | sing | 1.09Å | 1.12Å | |
| C7 | C16 | sing | 1.53Å | 1.58Å | |
| C7 | C15 | sing | 1.53Å | 1.57Å | |
| C16 | H161 | sing | 1.09Å | 1.12Å | |
| C16 | H162 | sing | 1.09Å | 1.12Å | |
| C16 | H163 | sing | 1.09Å | 1.12Å | |
| C15 | C19 | sing | 1.53Å | 1.55Å | |
| C15 | H151 | sing | 1.09Å | 1.12Å | |
| C15 | H152 | sing | 1.09Å | 1.12Å | |
| C19 | H191 | sing | 1.09Å | 1.12Å | |
| C19 | H192 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | O24 | H24 | 108.7° | 106.8° |
| O24 | C22 | C18 | 108.7° | 109.5° |
| O24 | C22 | C19 | 109.9° | 109.5° |
| O24 | C22 | H22 | 111.4° | 109.5° |
| C18 | C22 | C19 | 113.9° | 109.4° |
| C18 | C22 | H22 | 107.1° | 109.5° |
| C22 | C18 | C14 | 116.1° | 108.4° |
| C22 | C18 | H181 | 109.8° | 109.7° |
| C22 | C18 | H182 | 109.8° | 109.8° |
| C19 | C22 | H22 | 105.8° | 109.5° |
| C22 | C19 | C15 | 112.7° | 109.7° |
| C22 | C19 | H191 | 111.1° | 109.4° |
| C22 | C19 | H192 | 111.1° | 109.5° |
| C14 | C18 | H181 | 109.8° | 109.7° |
| C14 | C18 | H182 | 109.8° | 109.7° |
| C18 | C14 | C9 | 118.9° | 118.3° |
| C18 | C14 | C7 | 120.7° | 117.8° |
| H181 | C18 | H182 | 100.4° | 109.7° |
| C9 | C14 | C7 | 120.3° | 123.9° |
| C14 | C9 | C4 | 124.4° | 123.0° |
| C14 | C9 | H9 | 111.8° | 118.5° |
| C14 | C7 | C3 | 111.7° | 113.9° |
| C14 | C7 | C16 | 110.8° | 108.2° |
| C14 | C7 | C15 | 105.6° | 109.4° |
| C4 | C9 | H9 | 123.8° | 118.5° |
| C9 | C4 | C1 | 118.9° | 109.2° |
| C9 | C4 | H41 | 108.8° | 109.5° |
| C9 | C4 | H42 | 108.8° | 109.5° |
| C1 | C4 | H41 | 108.8° | 109.5° |
| C1 | C4 | H42 | 108.8° | 109.6° |
| C4 | C1 | C3 | 109.3° | 109.0° |
| C4 | C1 | C2 | 113.3° | 109.6° |
| C4 | C1 | H1 | 107.1° | 110.2° |
| H41 | C4 | H42 | 101.3° | 109.5° |
| C3 | C1 | C2 | 109.8° | 107.6° |
| C3 | C1 | H1 | 110.7° | 110.2° |
| C1 | C3 | C8 | 110.7° | 112.5° |
| C1 | C3 | C7 | 113.2° | 110.5° |
| C1 | C3 | H3 | 107.8° | 107.2° |
| C2 | C1 | H1 | 106.5° | 110.2° |
| C1 | C2 | C5 | 113.0° | 107.9° |
| C1 | C2 | C6 | 119.9° | 115.8° |
| C1 | C2 | H2 | 97.3° | 110.3° |
| C8 | C3 | C7 | 114.1° | 109.8° |
| C8 | C3 | H3 | 106.6° | 108.3° |
| C3 | C8 | C11 | 111.8° | 111.8° |
| C3 | C8 | H81 | 111.4° | 109.1° |
| C3 | C8 | H82 | 111.4° | 109.0° |
| C7 | C3 | H3 | 103.8° | 108.3° |
| C3 | C7 | C16 | 109.5° | 106.7° |
| C3 | C7 | C15 | 108.6° | 110.4° |
| C11 | C8 | H81 | 111.4° | 109.0° |
| C11 | C8 | H82 | 111.3° | 109.0° |
| C8 | C11 | C5 | 114.2° | 108.4° |
| C8 | C11 | H111 | 110.5° | 109.9° |
| C8 | C11 | H112 | 110.5° | 109.9° |
| H81 | C8 | H82 | 99.0° | 108.9° |
| C5 | C11 | H111 | 110.5° | 111.3° |
| C5 | C11 | H112 | 110.5° | 107.4° |
| C11 | C5 | C12 | 107.5° | 109.8° |
| C11 | C5 | C10 | 117.2° | 117.8° |
| C11 | C5 | C2 | 104.3° | 108.0° |
| H111 | C11 | H112 | 99.8° | 110.0° |
| C12 | C5 | C10 | 113.7° | 110.0° |
| C12 | C5 | C2 | 115.2° | 107.3° |
| C5 | C12 | H121 | 107.6° | 109.5° |
| C5 | C12 | H122 | 112.9° | 109.5° |
| C5 | C12 | H123 | 113.0° | 109.5° |
| C10 | C5 | C2 | 98.6° | 103.2° |
| C5 | C10 | C13 | 100.8° | 105.4° |
| C5 | C10 | C17 | 118.9° | 110.3° |
| C5 | C10 | H10 | 111.0° | 110.3° |
| C5 | C2 | C6 | 102.8° | 101.8° |
| C5 | C2 | H2 | 116.0° | 110.3° |
| H121 | C12 | H122 | 112.9° | 109.4° |
| H121 | C12 | H123 | 112.9° | 109.5° |
| H122 | C12 | H123 | 97.5° | 109.5° |
| C13 | C10 | C17 | 114.1° | 110.3° |
| C13 | C10 | H10 | 116.1° | 110.3° |
| C10 | C13 | C6 | 106.5° | 106.4° |
| C10 | C13 | H131 | 113.3° | 110.0° |
| C10 | C13 | H132 | 113.3° | 110.0° |
| C17 | C10 | H10 | 96.8° | 110.3° |
| C10 | C17 | C21 | 116.1° | 109.4° |
| C10 | C17 | C20 | 116.2° | 109.5° |
| C10 | C17 | H17 | 98.4° | 109.5° |
| C6 | C13 | H131 | 113.3° | 110.1° |
| C6 | C13 | H132 | 113.3° | 110.1° |
| C13 | C6 | C2 | 104.7° | 102.9° |
| C13 | C6 | H61 | 114.1° | 110.7° |
| C13 | C6 | H62 | 114.0° | 110.7° |
| H131 | C13 | H132 | 97.2° | 110.1° |
| C2 | C6 | H61 | 114.0° | 110.7° |
| C2 | C6 | H62 | 114.0° | 110.8° |
| C6 | C2 | H2 | 108.5° | 110.3° |
| H61 | C6 | H62 | 96.5° | 110.8° |
| C21 | C17 | C20 | 106.7° | 109.5° |
| C21 | C17 | H17 | 109.5° | 109.5° |
| C17 | C21 | H211 | 116.1° | 109.5° |
| C17 | C21 | H212 | 109.8° | 109.5° |
| C17 | C21 | H213 | 109.8° | 109.5° |
| C20 | C17 | H17 | 109.4° | 109.5° |
| C17 | C20 | C23 | 118.0° | 109.5° |
| C17 | C20 | H201 | 109.1° | 109.5° |
| C17 | C20 | H202 | 109.1° | 109.5° |
| H211 | C21 | H212 | 109.8° | 109.5° |
| H211 | C21 | H213 | 109.8° | 109.4° |
| H212 | C21 | H213 | 100.3° | 109.5° |
| C23 | C20 | H201 | 109.1° | 109.4° |
| C23 | C20 | H202 | 109.2° | 109.4° |
| C20 | C23 | C25 | 109.6° | 109.6° |
| C20 | C23 | H231 | 112.2° | 109.4° |
| C20 | C23 | H232 | 112.1° | 109.5° |
| H201 | C20 | H202 | 101.0° | 109.5° |
| C25 | C23 | H231 | 112.2° | 109.4° |
| C25 | C23 | H232 | 112.2° | 109.5° |
| C23 | C25 | O27 | 124.8° | 117.8° |
| C23 | C25 | C26 | 119.3° | 117.9° |
| C23 | C25 | H25 | 87.4° | 115.7° |
| H231 | C23 | H232 | 98.2° | 109.4° |
| O27 | C25 | C26 | 61.0° | 57.7° |
| O27 | C25 | H25 | 132.3° | 117.8° |
| C25 | O27 | C26 | 63.0° | 64.7° |
| C26 | C25 | H25 | 137.0° | 117.7° |
| C25 | C26 | O27 | 55.9° | 57.6° |
| C25 | C26 | C28 | 118.5° | 117.9° |
| C25 | C26 | C29 | 116.4° | 117.8° |
| O27 | C26 | C28 | 120.9° | 117.8° |
| O27 | C26 | C29 | 112.8° | 117.7° |
| C28 | C26 | C29 | 117.8° | 115.7° |
| C26 | C28 | H281 | 118.5° | 109.5° |
| C26 | C28 | H282 | 108.9° | 109.5° |
| C26 | C28 | H283 | 108.9° | 109.5° |
| C26 | C29 | H291 | 116.4° | 109.5° |
| C26 | C29 | H292 | 109.7° | 109.5° |
| C26 | C29 | H293 | 109.7° | 109.5° |
| H281 | C28 | H282 | 109.0° | 109.5° |
| H281 | C28 | H283 | 109.0° | 109.4° |
| H282 | C28 | H283 | 101.1° | 109.4° |
| H291 | C29 | H292 | 109.8° | 109.5° |
| H291 | C29 | H293 | 109.8° | 109.4° |
| H292 | C29 | H293 | 100.5° | 109.4° |
| C16 | C7 | C15 | 110.5° | 108.1° |
| C7 | C16 | H161 | 110.8° | 109.4° |
| C7 | C16 | H162 | 111.7° | 109.5° |
| C7 | C16 | H163 | 111.7° | 109.5° |
| C7 | C15 | C19 | 116.6° | 109.3° |
| C7 | C15 | H151 | 109.6° | 109.5° |
| C7 | C15 | H152 | 109.6° | 109.5° |
| H161 | C16 | H162 | 111.7° | 109.5° |
| H161 | C16 | H163 | 111.7° | 109.4° |
| H162 | C16 | H163 | 98.7° | 109.5° |
| C19 | C15 | H151 | 109.7° | 109.5° |
| C19 | C15 | H152 | 109.7° | 109.5° |
| C15 | C19 | H191 | 111.0° | 109.4° |
| C15 | C19 | H192 | 111.0° | 109.4° |
| H151 | C15 | H152 | 100.5° | 109.5° |
| H191 | C19 | H192 | 99.3° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O24 | C22 | C18 | C19 | 122.9° | 119.9° |
| O24 | C22 | C18 | H22 | 120.5° | 120.0° |
| O24 | C22 | C19 | H22 | 120.4° | 120.0° |
| O24 | C22 | C18 | C14 | 154.2° | 175.2° |
| O24 | C22 | C18 | H181 | 28.9° | 65.1° |
| O24 | C22 | C18 | H182 | 80.6° | 55.4° |
| O24 | C22 | C19 | C15 | 167.3° | 176.3° |
| O24 | C22 | C19 | H191 | 67.5° | 56.3° |
| O24 | C22 | C19 | H192 | 42.0° | 63.5° |
| H24 | O24 | C22 | C18 | 179.9° | 60.0° |
| H24 | O24 | C22 | C19 | 54.6° | 179.9° |
| H24 | O24 | C22 | H22 | 62.3° | 60.0° |
| C18 | C22 | C19 | H22 | 117.4° | 120.0° |
| C22 | C18 | C14 | H181 | 125.2° | 119.7° |
| C22 | C18 | C14 | H182 | 125.3° | 119.8° |
| C22 | C18 | H181 | H182 | 115.6° | 120.6° |
| C22 | C18 | C14 | C9 | 147.6° | 128.5° |
| C22 | C18 | C14 | C7 | 30.8° | 51.7° |
| C18 | C22 | C19 | C15 | 45.0° | 63.7° |
| C18 | C22 | C19 | H191 | 170.3° | 176.2° |
| C18 | C22 | C19 | H192 | 80.2° | 56.4° |
| C19 | C22 | C18 | C14 | 31.3° | 55.2° |
| C19 | C22 | C18 | H181 | 94.0° | 174.9° |
| C19 | C22 | C18 | H182 | 156.5° | 64.6° |
| C22 | C19 | C15 | C7 | 60.8° | 62.8° |
| C22 | C19 | C15 | H191 | 125.3° | 120.0° |
| C22 | C19 | C15 | H192 | 125.3° | 120.1° |
| C22 | C19 | C15 | H151 | 173.9° | 57.1° |
| C22 | C19 | C15 | H152 | 64.5° | 177.2° |
| C22 | C19 | H191 | H192 | 116.9° | 119.9° |
| H22 | C22 | C18 | C14 | 85.4° | 64.8° |
| H22 | C22 | C18 | H181 | 149.4° | 54.9° |
| H22 | C22 | C18 | H182 | 39.9° | 175.4° |
| H22 | C22 | C19 | C15 | 72.3° | 56.3° |
| H22 | C22 | C19 | H191 | 52.9° | 63.8° |
| H22 | C22 | C19 | H192 | 162.4° | 176.4° |
| C14 | C18 | H181 | H182 | 115.6° | 120.5° |
| C18 | C14 | C9 | C7 | 178.3° | 179.8° |
| C18 | C14 | C9 | C4 | 177.4° | 179.7° |
| C18 | C14 | C9 | H9 | 2.7° | 0.3° |
| C18 | C14 | C7 | C3 | 157.4° | 175.4° |
| C18 | C14 | C7 | C16 | 80.2° | 66.2° |
| C18 | C14 | C7 | C15 | 39.5° | 51.4° |
| H181 | C18 | C14 | C9 | 87.2° | 8.9° |
| H181 | C18 | C14 | C7 | 94.4° | 171.3° |
| H182 | C18 | C14 | C9 | 22.3° | 111.6° |
| H182 | C18 | C14 | C7 | 156.0° | 68.2° |
| C14 | C9 | C4 | H9 | 180.0° | 179.9° |
| C14 | C9 | C4 | C1 | 7.3° | 26.5° |
| C14 | C9 | C4 | H41 | 132.6° | 93.5° |
| C14 | C9 | C4 | H42 | 117.9° | 146.5° |
| C9 | C14 | C7 | C3 | 20.9° | 4.8° |
| C9 | C14 | C7 | C16 | 101.5° | 113.6° |
| C9 | C14 | C7 | C15 | 138.8° | 128.9° |
| C7 | C14 | C9 | C4 | 1.0° | 0.5° |
| C7 | C14 | C9 | H9 | 179.0° | 179.5° |
| C14 | C7 | C3 | C1 | 47.7° | 35.1° |
| C14 | C7 | C3 | C8 | 175.5° | 159.8° |
| C14 | C7 | C3 | C16 | 123.1° | 119.3° |
| C14 | C7 | C3 | C15 | 116.1° | 123.5° |
| C14 | C7 | C3 | H3 | 68.8° | 82.1° |
| C14 | C7 | C16 | C15 | 116.7° | 118.3° |
| C14 | C7 | C16 | H161 | 180.0° | 51.0° |
| C14 | C7 | C16 | H162 | 54.8° | 69.1° |
| C14 | C7 | C16 | H163 | 54.8° | 170.9° |
| C14 | C7 | C15 | C19 | 54.3° | 54.4° |
| C14 | C7 | C15 | H151 | 179.6° | 65.6° |
| C14 | C7 | C15 | H152 | 71.0° | 174.3° |
| C9 | C4 | C1 | H41 | 125.3° | 119.9° |
| C9 | C4 | C1 | H42 | 125.3° | 120.0° |
| C9 | C4 | H41 | H42 | 114.6° | 120.1° |
| C9 | C4 | C1 | C3 | 33.0° | 55.6° |
| C9 | C4 | C1 | C2 | 155.8° | 173.1° |
| C9 | C4 | C1 | H1 | 87.0° | 65.5° |
| H9 | C9 | C4 | C1 | 172.6° | 153.5° |
| H9 | C9 | C4 | H41 | 47.4° | 86.6° |
| H9 | C9 | C4 | H42 | 62.1° | 33.4° |
| C1 | C4 | H41 | H42 | 114.5° | 120.2° |
| C4 | C1 | C3 | C2 | 124.9° | 118.8° |
| C4 | C1 | C3 | H1 | 117.7° | 121.1° |
| C4 | C1 | C2 | H1 | 117.5° | 121.4° |
| C4 | C1 | C3 | C8 | 177.6° | 175.7° |
| C4 | C1 | C3 | C7 | 52.8° | 61.2° |
| C4 | C1 | C3 | H3 | 61.4° | 56.7° |
| C4 | C1 | C2 | C5 | 176.4° | 178.1° |
| C4 | C1 | C2 | C6 | 55.0° | 64.8° |
| C4 | C1 | C2 | H2 | 61.2° | 61.4° |
| H41 | C4 | C1 | C3 | 158.2° | 64.3° |
| H41 | C4 | C1 | C2 | 78.9° | 53.2° |
| H41 | C4 | C1 | H1 | 38.3° | 174.6° |
| H42 | C4 | C1 | C3 | 92.3° | 175.6° |
| H42 | C4 | C1 | C2 | 30.6° | 66.9° |
| H42 | C4 | C1 | H1 | 147.7° | 54.5° |
| C3 | C1 | C2 | H1 | 119.9° | 120.2° |
| C1 | C3 | C8 | C7 | 129.1° | 123.5° |
| C1 | C3 | C8 | H3 | 116.9° | 118.3° |
| C1 | C3 | C7 | H3 | 116.5° | 117.2° |
| C1 | C3 | C8 | C11 | 51.2° | 53.3° |
| C1 | C3 | C8 | H81 | 176.4° | 67.3° |
| C1 | C3 | C8 | H82 | 74.1° | 173.9° |
| C3 | C1 | C2 | C5 | 61.0° | 63.5° |
| C3 | C1 | C2 | C6 | 177.6° | 176.8° |
| C3 | C1 | C2 | H2 | 61.3° | 57.0° |
| C1 | C3 | C7 | C16 | 75.4° | 84.2° |
| C1 | C3 | C7 | C15 | 163.8° | 158.6° |
| C2 | C1 | C3 | C8 | 52.7° | 56.9° |
| C2 | C1 | C3 | C7 | 177.7° | 180.0° |
| C2 | C1 | C3 | H3 | 63.5° | 62.1° |
| C1 | C2 | C5 | C11 | 61.0° | 68.0° |
| C1 | C2 | C5 | C12 | 56.6° | 50.4° |
| C1 | C2 | C5 | C10 | 177.9° | 166.6° |
| C1 | C2 | C5 | C6 | 130.7° | 122.3° |
| C1 | C2 | C5 | H2 | 111.1° | 120.5° |
| C1 | C2 | C6 | C13 | 153.7° | 158.3° |
| C1 | C2 | C6 | H2 | 110.2° | 126.1° |
| C1 | C2 | C6 | H61 | 81.0° | 40.0° |
| C1 | C2 | C6 | H62 | 28.5° | 83.4° |
| H1 | C1 | C3 | C8 | 64.6° | 63.3° |
| H1 | C1 | C3 | C7 | 64.9° | 59.9° |
| H1 | C1 | C3 | H3 | 179.1° | 177.7° |
| H1 | C1 | C2 | C5 | 58.9° | 56.7° |
| H1 | C1 | C2 | C6 | 62.5° | 56.6° |
| H1 | C1 | C2 | H2 | 178.7° | 177.3° |
| C8 | C3 | C7 | H3 | 115.7° | 118.1° |
| C3 | C8 | C11 | H81 | 125.3° | 120.6° |
| C3 | C8 | C11 | H82 | 125.3° | 120.6° |
| C3 | C8 | H81 | H82 | 117.3° | 118.9° |
| C3 | C8 | C11 | C5 | 56.4° | 55.1° |
| C3 | C8 | C11 | H111 | 68.8° | 176.9° |
| C3 | C8 | C11 | H112 | 178.3° | 62.0° |
| C8 | C3 | C7 | C16 | 52.4° | 40.5° |
| C8 | C3 | C7 | C15 | 68.4° | 76.7° |
| C7 | C3 | C8 | C11 | 179.8° | 176.8° |
| C7 | C3 | C8 | H81 | 54.5° | 56.2° |
| C7 | C3 | C8 | H82 | 55.0° | 62.6° |
| C3 | C7 | C16 | C15 | 119.6° | 118.7° |
| C3 | C7 | C16 | H161 | 56.3° | 173.9° |
| C3 | C7 | C16 | H162 | 178.5° | 53.9° |
| C3 | C7 | C16 | H163 | 68.9° | 66.1° |
| C3 | C7 | C15 | C19 | 174.3° | 179.6° |
| C3 | C7 | C15 | H151 | 60.4° | 60.5° |
| C3 | C7 | C15 | H152 | 49.0° | 59.6° |
| H3 | C3 | C8 | C11 | 65.8° | 65.1° |
| H3 | C3 | C8 | H81 | 59.5° | 174.3° |
| H3 | C3 | C8 | H82 | 168.9° | 55.5° |
| H3 | C3 | C7 | C16 | 168.0° | 158.6° |
| H3 | C3 | C7 | C15 | 47.2° | 41.4° |
| C11 | C8 | H81 | H82 | 117.2° | 118.8° |
| C8 | C11 | C5 | H111 | 125.3° | 120.9° |
| C8 | C11 | C5 | H112 | 125.2° | 118.6° |
| C8 | C11 | H111 | H112 | 116.3° | 121.1° |
| C8 | C11 | C5 | C12 | 63.8° | 54.7° |
| C8 | C11 | C5 | C10 | 166.7° | 178.3° |
| C8 | C11 | C5 | C2 | 59.0° | 62.0° |
| H81 | C8 | C11 | C5 | 178.3° | 65.6° |
| H81 | C8 | C11 | H111 | 56.4° | 56.2° |
| H81 | C8 | C11 | H112 | 53.1° | 177.4° |
| H82 | C8 | C11 | C5 | 68.9° | 175.7° |
| H82 | C8 | C11 | H111 | 165.9° | 62.5° |
| H82 | C8 | C11 | H112 | 56.3° | 58.6° |
| C5 | C11 | H111 | H112 | 116.3° | 118.8° |
| C11 | C5 | C12 | C10 | 131.5° | 131.2° |
| C11 | C5 | C12 | C2 | 115.8° | 117.2° |
| C11 | C5 | C10 | C2 | 111.1° | 118.8° |
| C11 | C5 | C12 | H121 | 180.0° | 54.3° |
| C11 | C5 | C12 | H122 | 54.7° | 174.2° |
| C11 | C5 | C12 | H123 | 54.7° | 65.8° |
| C11 | C5 | C10 | C13 | 160.2° | 147.9° |
| C11 | C5 | C10 | C17 | 74.3° | 93.1° |
| C11 | C5 | C10 | H10 | 36.6° | 28.9° |
| C11 | C5 | C2 | C6 | 168.3° | 169.6° |
| C11 | C5 | C2 | H2 | 50.0° | 52.5° |
| H111 | C11 | C5 | C12 | 170.9° | 66.2° |
| H111 | C11 | C5 | C10 | 41.5° | 60.8° |
| H111 | C11 | C5 | C2 | 66.3° | 177.0° |
| H112 | C11 | C5 | C12 | 61.4° | 173.3° |
| H112 | C11 | C5 | C10 | 68.1° | 59.6° |
| H112 | C11 | C5 | C2 | 175.8° | 56.6° |
| C12 | C5 | C10 | C2 | 122.4° | 114.3° |
| C5 | C12 | H121 | H122 | 125.3° | 120.0° |
| C5 | C12 | H121 | H123 | 125.3° | 120.0° |
| C5 | C12 | H122 | H123 | 118.9° | 120.0° |
| C12 | C5 | C10 | C13 | 73.3° | 85.2° |
| C12 | C5 | C10 | C17 | 52.2° | 33.8° |
| C12 | C5 | C10 | H10 | 163.1° | 155.8° |
| C12 | C5 | C2 | C6 | 74.1° | 72.0° |
| C12 | C5 | C2 | H2 | 167.7° | 170.9° |
| C10 | C5 | C12 | H121 | 48.5° | 174.5° |
| C10 | C5 | C12 | H122 | 76.7° | 54.5° |
| C10 | C5 | C12 | H123 | 173.8° | 65.5° |
| C5 | C10 | C13 | C17 | 128.6° | 119.0° |
| C5 | C10 | C13 | H10 | 120.0° | 119.0° |
| C5 | C10 | C17 | H10 | 118.6° | 122.0° |
| C5 | C10 | C13 | C6 | 33.3° | 3.4° |
| C5 | C10 | C13 | H131 | 158.5° | 115.9° |
| C5 | C10 | C13 | H132 | 92.0° | 122.6° |
| C10 | C5 | C2 | C6 | 47.2° | 44.3° |
| C10 | C5 | C2 | H2 | 71.0° | 72.9° |
| C5 | C10 | C17 | C21 | 46.8° | 61.3° |
| C5 | C10 | C17 | C20 | 173.6° | 178.7° |
| C5 | C10 | C17 | H17 | 69.8° | 58.7° |
| C2 | C5 | C12 | H121 | 64.2° | 62.9° |
| C2 | C5 | C12 | H122 | 170.5° | 57.1° |
| C2 | C5 | C12 | H123 | 61.1° | 177.1° |
| C2 | C5 | C10 | C13 | 49.1° | 29.1° |
| C2 | C5 | C10 | C17 | 174.6° | 148.1° |
| C2 | C5 | C10 | H10 | 74.5° | 89.9° |
| C5 | C2 | C6 | C13 | 27.4° | 41.5° |
| C5 | C2 | C6 | H2 | 123.4° | 117.1° |
| C5 | C2 | C6 | H61 | 152.7° | 76.8° |
| C5 | C2 | C6 | H62 | 97.9° | 159.9° |
| H121 | C12 | H122 | H123 | 118.8° | 120.0° |
| C13 | C10 | C17 | H10 | 122.6° | 122.0° |
| C10 | C13 | C6 | H131 | 125.3° | 119.2° |
| C10 | C13 | C6 | H132 | 125.2° | 119.2° |
| C10 | C13 | H131 | H132 | 119.2° | 121.5° |
| C10 | C13 | C6 | C2 | 4.0° | 23.9° |
| C10 | C13 | C6 | H61 | 121.2° | 94.4° |
| C10 | C13 | C6 | H62 | 129.2° | 142.4° |
| C13 | C10 | C17 | C21 | 165.6° | 177.3° |
| C13 | C10 | C17 | C20 | 67.6° | 62.7° |
| C13 | C10 | C17 | H17 | 49.0° | 57.3° |
| C17 | C10 | C13 | C6 | 161.9° | 122.4° |
| C17 | C10 | C13 | H131 | 72.9° | 3.2° |
| C17 | C10 | C13 | H132 | 36.6° | 118.3° |
| C10 | C17 | C21 | C20 | 131.4° | 120.0° |
| C10 | C17 | C21 | H17 | 110.2° | 120.0° |
| C10 | C17 | C20 | H17 | 110.2° | 120.0° |
| C10 | C17 | C21 | H211 | 180.0° | 60.0° |
| C10 | C17 | C21 | H212 | 54.7° | 60.0° |
| C10 | C17 | C21 | H213 | 54.7° | 180.0° |
| C10 | C17 | C20 | C23 | 69.3° | 180.0° |
| C10 | C17 | C20 | H201 | 165.5° | 60.0° |
| C10 | C17 | C20 | H202 | 56.0° | 60.0° |
| H10 | C10 | C13 | C6 | 86.7° | 115.6° |
| H10 | C10 | C13 | H131 | 38.5° | 125.1° |
| H10 | C10 | C13 | H132 | 148.0° | 3.7° |
| H10 | C10 | C17 | C21 | 71.8° | 60.7° |
| H10 | C10 | C17 | C20 | 55.0° | 59.3° |
| H10 | C10 | C17 | H17 | 171.6° | 179.3° |
| C6 | C13 | H131 | H132 | 119.2° | 121.6° |
| C13 | C6 | C2 | H61 | 125.3° | 118.3° |
| C13 | C6 | C2 | H62 | 125.2° | 118.3° |
| C13 | C6 | H61 | H62 | 119.9° | 123.2° |
| C13 | C6 | C2 | H2 | 96.1° | 75.6° |
| H131 | C13 | C6 | C2 | 129.3° | 143.1° |
| H131 | C13 | C6 | H61 | 4.0° | 24.8° |
| H131 | C13 | C6 | H62 | 105.5° | 98.4° |
| H132 | C13 | C6 | C2 | 121.2° | 95.3° |
| H132 | C13 | C6 | H61 | 113.5° | 146.4° |
| H132 | C13 | C6 | H62 | 4.0° | 23.2° |
| C2 | C6 | H61 | H62 | 119.9° | 123.4° |
| H61 | C6 | C2 | H2 | 29.3° | 166.1° |
| H62 | C6 | C2 | H2 | 138.7° | 42.8° |
| C21 | C17 | C20 | H17 | 118.4° | 120.0° |
| C17 | C21 | H211 | H212 | 125.3° | 120.0° |
| C17 | C21 | H211 | H213 | 125.3° | 120.0° |
| C17 | C21 | H212 | H213 | 115.6° | 120.0° |
| C21 | C17 | C20 | C23 | 62.1° | 60.0° |
| C21 | C17 | C20 | H201 | 63.2° | 60.0° |
| C21 | C17 | C20 | H202 | 172.6° | 180.0° |
| C20 | C17 | C21 | H211 | 48.6° | 60.0° |
| C20 | C17 | C21 | H212 | 76.7° | 180.0° |
| C20 | C17 | C21 | H213 | 173.8° | 59.9° |
| C17 | C20 | C23 | H201 | 125.2° | 120.0° |
| C17 | C20 | C23 | H202 | 125.2° | 120.0° |
| C17 | C20 | H201 | H202 | 114.8° | 120.0° |
| C17 | C20 | C23 | C25 | 178.6° | 180.0° |
| C17 | C20 | C23 | H231 | 56.1° | 60.0° |
| C17 | C20 | C23 | H232 | 53.3° | 60.0° |
| H17 | C17 | C21 | H211 | 69.8° | 180.0° |
| H17 | C17 | C21 | H212 | 164.9° | 60.0° |
| H17 | C17 | C21 | H213 | 55.5° | 60.1° |
| H17 | C17 | C20 | C23 | 179.5° | 60.0° |
| H17 | C17 | C20 | H201 | 55.2° | 180.0° |
| H17 | C17 | C20 | H202 | 54.2° | 60.0° |
| H211 | C21 | H212 | H213 | 115.5° | 120.0° |
| C23 | C20 | H201 | H202 | 114.9° | 119.9° |
| C20 | C23 | C25 | H231 | 125.3° | 120.0° |
| C20 | C23 | C25 | H232 | 125.2° | 120.1° |
| C20 | C23 | H231 | H232 | 118.0° | 120.0° |
| C20 | C23 | C25 | O27 | 159.7° | 112.5° |
| C20 | C23 | C25 | C26 | 86.3° | 178.7° |
| C20 | C23 | C25 | H25 | 58.2° | 34.5° |
| H201 | C20 | C23 | C25 | 53.4° | 60.0° |
| H201 | C20 | C23 | H231 | 178.6° | NaN° |
| H201 | C20 | C23 | H232 | 71.9° | 60.1° |
| H202 | C20 | C23 | C25 | 56.2° | 59.9° |
| H202 | C20 | C23 | H231 | 69.1° | 60.0° |
| H202 | C20 | C23 | H232 | 178.6° | 180.0° |
| C25 | C23 | H231 | H232 | 118.1° | 119.9° |
| C23 | C25 | O27 | C26 | 107.3° | 107.0° |
| C23 | C25 | O27 | H25 | 123.9° | 146.3° |
| C23 | C25 | C26 | H25 | 121.9° | 146.2° |
| C23 | C25 | C26 | C28 | 6.1° | 146.3° |
| C23 | C25 | C26 | C29 | 143.3° | 0.1° |
| H231 | C23 | C25 | O27 | 34.4° | 7.5° |
| H231 | C23 | C25 | C26 | 39.0° | 58.7° |
| H231 | C23 | C25 | H25 | 176.5° | 154.5° |
| H232 | C23 | C25 | O27 | 75.1° | 127.4° |
| H232 | C23 | C25 | C26 | 148.5° | 61.2° |
| H232 | C23 | C25 | H25 | 67.0° | 85.6° |
| O27 | C25 | C26 | H25 | 122.3° | 106.9° |
| O27 | C25 | C26 | C28 | 109.7° | 106.8° |
| O27 | C25 | C26 | C29 | 100.8° | 106.8° |
| C25 | C26 | C28 | C29 | 149.0° | 147.1° |
| C25 | C26 | C28 | H281 | 180.0° | 177.4° |
| C25 | C26 | C28 | H282 | 54.7° | 57.3° |
| C25 | C26 | C28 | H283 | 54.7° | 62.6° |
| C25 | C26 | C29 | H291 | 180.0° | 177.3° |
| C25 | C26 | C29 | H292 | 54.7° | 62.6° |
| C25 | C26 | C29 | H293 | 54.7° | 57.3° |
| H25 | C25 | C26 | C28 | 128.0° | 0.1° |
| H25 | C25 | C26 | C29 | 21.5° | 146.3° |
| O27 | C26 | C28 | C29 | 145.7° | 146.9° |
| O27 | C26 | C28 | H281 | 114.7° | 111.4° |
| O27 | C26 | C28 | H282 | 120.0° | 8.7° |
| O27 | C26 | C28 | H283 | 10.6° | 128.6° |
| O27 | C26 | C29 | H291 | 118.0° | 111.3° |
| O27 | C26 | C29 | H292 | 7.3° | 128.6° |
| O27 | C26 | C29 | H293 | 116.7° | 8.7° |
| C26 | C28 | H281 | H282 | 125.3° | 120.0° |
| C26 | C28 | H281 | H283 | 125.3° | 120.0° |
| C26 | C28 | H282 | H283 | 114.6° | 120.0° |
| C28 | C26 | C29 | H291 | 30.3° | 35.6° |
| C28 | C26 | C29 | H292 | 155.6° | 84.5° |
| C28 | C26 | C29 | H293 | 95.0° | 155.6° |
| C29 | C26 | C28 | H281 | 31.0° | 35.5° |
| C29 | C26 | C28 | H282 | 94.3° | 155.6° |
| C29 | C26 | C28 | H283 | 156.3° | 84.5° |
| C26 | C29 | H291 | H292 | 125.3° | 120.1° |
| C26 | C29 | H291 | H293 | 125.2° | 120.1° |
| C26 | C29 | H292 | H293 | 115.4° | 120.0° |
| H281 | C28 | H282 | H283 | 114.7° | 120.0° |
| H291 | C29 | H292 | H293 | 115.6° | 119.9° |
| C7 | C16 | H161 | H162 | 125.3° | 120.0° |
| C7 | C16 | H161 | H163 | 125.2° | 119.9° |
| C7 | C16 | H162 | H163 | 117.7° | 120.0° |
| C16 | C7 | C15 | C19 | 65.6° | 63.2° |
| C16 | C7 | C15 | H151 | 59.7° | 176.8° |
| C16 | C7 | C15 | H152 | 169.1° | 56.7° |
| C15 | C7 | C16 | H161 | 63.3° | 67.3° |
| C15 | C7 | C16 | H162 | 62.0° | 172.6° |
| C15 | C7 | C16 | H163 | 171.5° | 52.6° |
| C7 | C15 | C19 | H151 | 125.3° | 120.0° |
| C7 | C15 | C19 | H152 | 125.3° | 120.0° |
| C7 | C15 | H151 | H152 | 115.4° | 120.1° |
| C7 | C15 | C19 | H191 | 173.9° | 177.1° |
| C7 | C15 | C19 | H192 | 64.5° | 57.3° |
| H161 | C16 | H162 | H163 | 117.6° | 120.0° |
| C19 | C15 | H151 | H152 | 115.5° | 120.1° |
| C15 | C19 | H191 | H192 | 116.8° | 119.9° |
| H151 | C15 | C19 | H191 | 48.7° | 62.9° |
| H151 | C15 | C19 | H192 | 60.8° | 177.3° |
| H152 | C15 | C19 | H191 | 60.8° | 57.2° |
| H152 | C15 | C19 | H192 | 170.2° | 62.7° |
