1CA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.65Å | |
| C1 | C10 | sing | 1.53Å | 1.62Å | |
| C1 | H11 | sing | 1.09Å | 1.11Å | |
| C1 | H12 | sing | 1.09Å | 1.12Å | |
| C2 | C3 | sing | 1.52Å | 1.58Å | |
| C2 | H21 | sing | 1.09Å | 1.12Å | |
| C2 | H22 | sing | 1.09Å | 1.11Å | |
| C3 | C4 | sing | 1.47Å | 1.47Å | |
| C3 | O3 | doub | 1.21Å | 1.18Å | |
| C4 | C5 | doub | 1.33Å | 1.46Å | |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C5 | C6 | sing | 1.52Å | 1.59Å | |
| C5 | C10 | sing | 1.49Å | 1.67Å | |
| C6 | C7 | sing | 1.53Å | 1.55Å | |
| C6 | H61 | sing | 1.09Å | 1.11Å | |
| C6 | H62 | sing | 1.09Å | 1.12Å | |
| C7 | C8 | sing | 1.53Å | 1.60Å | |
| C7 | H71 | sing | 1.09Å | 1.12Å | |
| C7 | H72 | sing | 1.09Å | 1.11Å | |
| C8 | C9 | sing | 1.53Å | 1.67Å | |
| C8 | C14 | sing | 1.53Å | 1.64Å | |
| C8 | H8 | sing | 1.09Å | 1.12Å | |
| C9 | C10 | sing | 1.53Å | 1.70Å | |
| C9 | C11 | sing | 1.53Å | 1.60Å | |
| C9 | H9 | sing | 1.09Å | 1.11Å | |
| C10 | C19 | sing | 1.53Å | 1.56Å | |
| C11 | C12 | sing | 1.54Å | 1.58Å | |
| C11 | H111 | sing | 1.09Å | 1.12Å | |
| C11 | H112 | sing | 1.09Å | 1.11Å | |
| C12 | C13 | sing | 1.52Å | 1.68Å | |
| C12 | H121 | sing | 1.09Å | 1.11Å | |
| C12 | H122 | sing | 1.09Å | 1.12Å | |
| C13 | C14 | sing | 1.55Å | 1.63Å | |
| C13 | C17 | sing | 1.52Å | 1.59Å | |
| C13 | C18 | sing | 1.53Å | 1.64Å | |
| C14 | C15 | sing | 1.53Å | 1.58Å | |
| C14 | H14 | sing | 1.09Å | 1.12Å | |
| C15 | C16 | sing | 1.55Å | 1.51Å | |
| C15 | H151 | sing | 1.09Å | 1.12Å | |
| C15 | H152 | sing | 1.09Å | 1.12Å | |
| C16 | C17 | sing | 1.56Å | 1.57Å | |
| C16 | H161 | sing | 1.09Å | 1.12Å | |
| C16 | H162 | sing | 1.09Å | 1.11Å | |
| C17 | C20 | sing | 1.51Å | 1.48Å | |
| C17 | H17 | sing | 1.09Å | 1.12Å | |
| C18 | H181 | sing | 1.09Å | 1.11Å | |
| C18 | H182 | sing | 1.09Å | 1.11Å | |
| C18 | H183 | sing | 1.09Å | 1.11Å | |
| C19 | H191 | sing | 1.09Å | 1.12Å | |
| C19 | H192 | sing | 1.09Å | 1.12Å | |
| C19 | H193 | sing | 1.09Å | 1.11Å | |
| C20 | C21 | sing | 1.51Å | 1.49Å | |
| C20 | O20 | doub | 1.21Å | 1.27Å | |
| C21 | O21 | sing | 1.43Å | 1.43Å | |
| C21 | H211 | sing | 1.09Å | 1.12Å | |
| C21 | H212 | sing | 1.09Å | 1.12Å | |
| O21 | HO | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C10 | 115.8° | 111.6° |
| C2 | C1 | H11 | 109.9° | 109.0° |
| C2 | C1 | H12 | 109.9° | 109.0° |
| C1 | C2 | C3 | 113.4° | 107.5° |
| C1 | C2 | H21 | 110.8° | 109.9° |
| C1 | C2 | H22 | 110.8° | 109.9° |
| C10 | C1 | H11 | 109.9° | 108.9° |
| C10 | C1 | H12 | 109.9° | 109.2° |
| C1 | C10 | C5 | 111.7° | 114.1° |
| C1 | C10 | C9 | 111.2° | 108.5° |
| C1 | C10 | C19 | 105.6° | 108.1° |
| H11 | C1 | H12 | 100.3° | 109.0° |
| C3 | C2 | H21 | 110.8° | 109.8° |
| C3 | C2 | H22 | 110.8° | 109.8° |
| C2 | C3 | C4 | 123.3° | 116.4° |
| C2 | C3 | O3 | 117.4° | 121.8° |
| H21 | C2 | H22 | 99.5° | 110.0° |
| C4 | C3 | O3 | 119.3° | 121.8° |
| C3 | C4 | C5 | 121.2° | 120.0° |
| C3 | C4 | H4 | 119.7° | 120.0° |
| C5 | C4 | H4 | 119.2° | 120.0° |
| C4 | C5 | C6 | 118.0° | 117.7° |
| C4 | C5 | C10 | 122.9° | 123.9° |
| C6 | C5 | C10 | 118.8° | 118.4° |
| C5 | C6 | C7 | 114.6° | 108.6° |
| C5 | C6 | H61 | 110.3° | 109.6° |
| C5 | C6 | H62 | 110.3° | 109.6° |
| C5 | C10 | C9 | 109.2° | 110.5° |
| C5 | C10 | C19 | 104.6° | 107.4° |
| C7 | C6 | H61 | 110.3° | 109.6° |
| C7 | C6 | H62 | 110.3° | 109.6° |
| C6 | C7 | C8 | 116.7° | 109.1° |
| C6 | C7 | H71 | 109.6° | 109.5° |
| C6 | C7 | H72 | 109.6° | 109.5° |
| H61 | C6 | H62 | 100.0° | 109.8° |
| C8 | C7 | H71 | 109.6° | 109.5° |
| C8 | C7 | H72 | 109.6° | 109.5° |
| C7 | C8 | C9 | 109.7° | 109.1° |
| C7 | C8 | C14 | 114.1° | 110.0° |
| C7 | C8 | H8 | 106.7° | 109.9° |
| H71 | C7 | H72 | 100.6° | 109.6° |
| C9 | C8 | C14 | 111.0° | 107.1° |
| C9 | C8 | H8 | 110.0° | 109.9° |
| C8 | C9 | C10 | 112.2° | 108.9° |
| C8 | C9 | C11 | 114.0° | 111.8° |
| C8 | C9 | H9 | 106.5° | 109.0° |
| C14 | C8 | H8 | 105.2° | 110.7° |
| C8 | C14 | C13 | 113.4° | 106.9° |
| C8 | C14 | C15 | 121.5° | 115.6° |
| C8 | C14 | H14 | 95.8° | 110.4° |
| C10 | C9 | C11 | 115.3° | 109.0° |
| C10 | C9 | H9 | 104.9° | 109.0° |
| C9 | C10 | C19 | 114.4° | 108.0° |
| C11 | C9 | H9 | 102.6° | 109.0° |
| C9 | C11 | C12 | 112.8° | 111.7° |
| C9 | C11 | H111 | 111.0° | 109.0° |
| C9 | C11 | H112 | 111.0° | 109.0° |
| C10 | C19 | H191 | 113.7° | 109.5° |
| C10 | C19 | H192 | 105.5° | 109.5° |
| C10 | C19 | H193 | 113.7° | 109.4° |
| C12 | C11 | H111 | 111.0° | 109.1° |
| C12 | C11 | H112 | 111.0° | 109.0° |
| C11 | C12 | C13 | 112.5° | 107.1° |
| C11 | C12 | H121 | 111.1° | 109.9° |
| C11 | C12 | H122 | 111.1° | 109.9° |
| H111 | C11 | H112 | 99.4° | 109.0° |
| C13 | C12 | H121 | 111.1° | 110.0° |
| C13 | C12 | H122 | 111.1° | 109.9° |
| C12 | C13 | C14 | 104.6° | 107.2° |
| C12 | C13 | C17 | 117.7° | 116.7° |
| C12 | C13 | C18 | 109.4° | 109.8° |
| H121 | C12 | H122 | 99.2° | 110.0° |
| C14 | C13 | C17 | 95.0° | 103.4° |
| C14 | C13 | C18 | 117.1° | 109.8° |
| C13 | C14 | C15 | 105.3° | 102.2° |
| C13 | C14 | H14 | 115.2° | 111.1° |
| C17 | C13 | C18 | 112.4° | 109.7° |
| C13 | C17 | C16 | 106.5° | 105.4° |
| C13 | C17 | C20 | 113.1° | 110.8° |
| C13 | C17 | H17 | 110.7° | 109.8° |
| C13 | C18 | H181 | 112.2° | 109.5° |
| C13 | C18 | H182 | 109.4° | 109.5° |
| C13 | C18 | H183 | 112.2° | 109.5° |
| C15 | C14 | H14 | 105.6° | 110.5° |
| C14 | C15 | C16 | 104.4° | 103.0° |
| C14 | C15 | H151 | 114.1° | 110.7° |
| C14 | C15 | H152 | 114.2° | 110.8° |
| C16 | C15 | H151 | 114.2° | 110.7° |
| C16 | C15 | H152 | 114.1° | 110.7° |
| C15 | C16 | C17 | 107.1° | 106.2° |
| C15 | C16 | H161 | 113.1° | 110.1° |
| C15 | C16 | H162 | 113.1° | 110.0° |
| H151 | C15 | H152 | 96.3° | 110.7° |
| C17 | C16 | H161 | 113.1° | 110.1° |
| C17 | C16 | H162 | 113.1° | 110.2° |
| C16 | C17 | C20 | 113.8° | 110.3° |
| C16 | C17 | H17 | 109.9° | 110.3° |
| H161 | C16 | H162 | 97.4° | 110.2° |
| C20 | C17 | H17 | 102.8° | 110.2° |
| C17 | C20 | C21 | 119.2° | 120.0° |
| C17 | C20 | O20 | 119.7° | 120.0° |
| H181 | C18 | H182 | 112.3° | 109.4° |
| H181 | C18 | H183 | 98.2° | 109.4° |
| H182 | C18 | H183 | 112.2° | 109.5° |
| H191 | C19 | H192 | 113.7° | 109.5° |
| H191 | C19 | H193 | 96.8° | 109.4° |
| H192 | C19 | H193 | 113.7° | 109.5° |
| C21 | C20 | O20 | 120.9° | 120.0° |
| C20 | C21 | O21 | 118.8° | 109.5° |
| C20 | C21 | H211 | 108.8° | 109.4° |
| C20 | C21 | H212 | 108.8° | 109.5° |
| O21 | C21 | H211 | 108.9° | 109.5° |
| O21 | C21 | H212 | 108.9° | 109.5° |
| C21 | O21 | HO | 118.8° | 106.8° |
| H211 | C21 | H212 | 101.2° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C10 | H11 | 125.3° | 120.4° |
| C2 | C1 | C10 | H12 | 125.2° | 120.6° |
| C2 | C1 | H11 | H12 | 115.7° | 118.9° |
| C1 | C2 | C3 | H21 | 125.3° | 119.5° |
| C1 | C2 | C3 | H22 | 125.2° | 119.5° |
| C1 | C2 | H21 | H22 | 116.6° | 121.1° |
| C1 | C2 | C3 | C4 | 19.6° | 49.7° |
| C1 | C2 | C3 | O3 | 158.0° | 130.3° |
| C2 | C1 | C10 | C5 | 34.2° | 38.7° |
| C2 | C1 | C10 | C9 | 156.5° | 162.4° |
| C2 | C1 | C10 | C19 | 78.8° | 80.7° |
| C10 | C1 | H11 | H12 | 115.7° | 119.1° |
| C10 | C1 | C2 | C3 | 39.1° | 57.4° |
| C10 | C1 | C2 | H21 | 164.4° | 176.9° |
| C10 | C1 | C2 | H22 | 86.1° | 62.0° |
| C1 | C10 | C5 | C4 | 10.8° | 8.9° |
| C1 | C10 | C5 | C6 | 163.4° | 171.5° |
| C1 | C10 | C5 | C9 | 123.4° | 122.6° |
| C1 | C10 | C5 | C19 | 113.7° | 119.8° |
| C1 | C10 | C9 | C8 | 171.3° | 179.1° |
| C1 | C10 | C9 | C19 | 119.5° | 117.0° |
| C1 | C10 | C9 | C11 | 56.0° | 58.6° |
| C1 | C10 | C9 | H9 | 56.0° | 60.2° |
| C1 | C10 | C19 | H191 | 54.7° | 59.9° |
| C1 | C10 | C19 | H192 | 180.0° | 180.0° |
| C1 | C10 | C19 | H193 | 54.7° | 60.0° |
| H11 | C1 | C2 | C3 | 164.4° | 63.0° |
| H11 | C1 | C2 | H21 | 70.3° | 56.5° |
| H11 | C1 | C2 | H22 | 39.1° | 177.6° |
| H11 | C1 | C10 | C5 | 159.5° | 81.7° |
| H11 | C1 | C10 | C9 | 78.2° | 42.0° |
| H11 | C1 | C10 | C19 | 46.4° | 158.9° |
| H12 | C1 | C2 | C3 | 86.1° | 178.2° |
| H12 | C1 | C2 | H21 | 39.1° | 62.3° |
| H12 | C1 | C2 | H22 | 148.6° | 58.8° |
| H12 | C1 | C10 | C5 | 91.0° | 159.4° |
| H12 | C1 | C10 | C9 | 31.3° | 77.0° |
| H12 | C1 | C10 | C19 | 155.9° | 40.0° |
| C3 | C2 | H21 | H22 | 116.6° | 120.9° |
| C2 | C3 | C4 | O3 | 177.6° | 179.9° |
| C2 | C3 | C4 | C5 | 4.5° | 21.5° |
| C2 | C3 | C4 | H4 | 175.5° | 158.5° |
| H21 | C2 | C3 | C4 | 144.9° | 169.2° |
| H21 | C2 | C3 | O3 | 32.8° | 10.8° |
| H22 | C2 | C3 | C4 | 105.6° | 69.8° |
| H22 | C2 | C3 | O3 | 76.7° | 110.3° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 176.5° | 179.3° |
| C3 | C4 | C5 | C10 | 9.3° | 0.3° |
| O3 | C3 | C4 | C5 | 177.9° | 158.4° |
| O3 | C3 | C4 | H4 | 2.1° | 21.6° |
| C4 | C5 | C6 | C10 | 174.5° | 179.6° |
| C4 | C5 | C6 | C7 | 135.1° | 130.6° |
| C4 | C5 | C6 | H61 | 9.8° | 10.9° |
| C4 | C5 | C6 | H62 | 99.7° | 109.6° |
| C4 | C5 | C10 | C9 | 134.2° | 131.5° |
| C4 | C5 | C10 | C19 | 102.9° | 110.9° |
| H4 | C4 | C5 | C6 | 3.5° | 0.7° |
| H4 | C4 | C5 | C10 | 170.7° | 179.7° |
| C5 | C6 | C7 | H61 | 125.3° | 119.7° |
| C5 | C6 | C7 | H62 | 125.2° | 119.7° |
| C5 | C6 | H61 | H62 | 116.2° | 120.4° |
| C5 | C6 | C7 | C8 | 47.0° | 55.5° |
| C5 | C6 | C7 | H71 | 78.2° | 64.4° |
| C5 | C6 | C7 | H72 | 172.3° | 175.4° |
| C6 | C5 | C10 | C9 | 40.0° | 48.9° |
| C6 | C5 | C10 | C19 | 82.9° | 68.7° |
| C10 | C5 | C6 | C7 | 39.4° | 49.7° |
| C10 | C5 | C6 | H61 | 164.7° | 169.5° |
| C10 | C5 | C6 | H62 | 85.8° | 70.0° |
| C5 | C10 | C9 | C8 | 47.6° | 53.2° |
| C5 | C10 | C9 | C19 | 116.8° | 117.2° |
| C5 | C10 | C9 | C11 | 179.7° | 175.5° |
| C5 | C10 | C9 | H9 | 67.6° | 65.6° |
| C5 | C10 | C19 | H191 | 63.2° | 63.6° |
| C5 | C10 | C19 | H192 | 62.1° | 56.4° |
| C5 | C10 | C19 | H193 | 172.7° | 176.4° |
| C7 | C6 | H61 | H62 | 116.2° | 120.4° |
| C6 | C7 | C8 | H71 | 125.2° | 119.9° |
| C6 | C7 | C8 | H72 | 125.3° | 119.9° |
| C6 | C7 | H71 | H72 | 115.4° | 120.2° |
| C6 | C7 | C8 | C9 | 55.5° | 65.2° |
| C6 | C7 | C8 | C14 | 179.3° | 177.6° |
| C6 | C7 | C8 | H8 | 63.6° | 55.4° |
| H61 | C6 | C7 | C8 | 172.3° | 175.2° |
| H61 | C6 | C7 | H71 | 47.0° | 55.3° |
| H61 | C6 | C7 | H72 | 62.5° | 64.9° |
| H62 | C6 | C7 | C8 | 78.2° | 64.3° |
| H62 | C6 | C7 | H71 | 156.5° | 175.9° |
| H62 | C6 | C7 | H72 | 47.0° | 55.6° |
| C8 | C7 | H71 | H72 | 115.3° | 120.2° |
| C7 | C8 | C9 | C14 | 127.0° | 119.0° |
| C7 | C8 | C9 | H8 | 117.0° | 120.6° |
| C7 | C8 | C14 | H8 | 116.5° | 121.7° |
| C7 | C8 | C9 | C10 | 55.6° | 63.3° |
| C7 | C8 | C9 | C11 | 171.0° | 176.2° |
| C7 | C8 | C9 | H9 | 58.6° | 55.6° |
| C7 | C8 | C14 | C13 | 177.5° | 177.2° |
| C7 | C8 | C14 | C15 | 55.4° | 64.3° |
| C7 | C8 | C14 | H14 | 56.8° | 62.0° |
| H71 | C7 | C8 | C9 | 69.8° | 54.7° |
| H71 | C7 | C8 | C14 | 55.5° | 62.5° |
| H71 | C7 | C8 | H8 | 171.2° | 175.3° |
| H72 | C7 | C8 | C9 | 179.3° | 174.9° |
| H72 | C7 | C8 | C14 | 54.0° | 57.7° |
| H72 | C7 | C8 | H8 | 61.7° | 64.5° |
| C9 | C8 | C14 | H8 | 118.9° | 119.8° |
| C8 | C9 | C10 | C11 | 132.7° | 122.3° |
| C8 | C9 | C10 | H9 | 115.2° | 118.8° |
| C8 | C9 | C11 | H9 | 114.7° | 120.6° |
| C8 | C9 | C10 | C19 | 69.2° | 63.9° |
| C8 | C9 | C11 | C12 | 47.6° | 54.4° |
| C8 | C9 | C11 | H111 | 77.7° | 66.2° |
| C8 | C9 | C11 | H112 | 172.8° | 174.9° |
| C9 | C8 | C14 | C13 | 52.9° | 64.4° |
| C9 | C8 | C14 | C15 | 180.0° | 177.3° |
| C9 | C8 | C14 | H14 | 67.7° | 56.5° |
| C14 | C8 | C9 | C10 | 177.4° | 177.7° |
| C14 | C8 | C9 | C11 | 44.0° | 57.1° |
| C14 | C8 | C9 | H9 | 68.4° | 63.5° |
| C8 | C14 | C13 | C12 | 60.1° | 70.5° |
| C8 | C14 | C13 | C15 | 135.1° | 121.8° |
| C8 | C14 | C13 | H14 | 109.0° | 120.4° |
| C8 | C14 | C13 | C17 | 179.5° | 165.6° |
| C8 | C14 | C13 | C18 | 61.1° | 48.7° |
| C8 | C14 | C15 | H14 | 107.1° | 126.2° |
| C8 | C14 | C15 | C16 | 162.5° | 156.9° |
| C8 | C14 | C15 | H151 | 72.2° | 38.6° |
| C8 | C14 | C15 | H152 | 37.2° | 84.6° |
| H8 | C8 | C9 | C10 | 61.4° | 57.4° |
| H8 | C8 | C9 | C11 | 72.0° | 63.2° |
| H8 | C8 | C9 | H9 | 175.6° | 176.2° |
| H8 | C8 | C14 | C13 | 66.0° | 55.5° |
| H8 | C8 | C14 | C15 | 61.1° | 57.4° |
| H8 | C8 | C14 | H14 | 173.3° | 176.3° |
| C10 | C9 | C11 | H9 | 113.4° | 118.9° |
| C10 | C9 | C11 | C12 | 179.4° | 174.9° |
| C10 | C9 | C11 | H111 | 54.2° | 54.3° |
| C10 | C9 | C11 | H112 | 55.3° | 64.6° |
| C9 | C10 | C19 | H191 | 177.4° | 177.2° |
| C9 | C10 | C19 | H192 | 57.4° | 62.7° |
| C9 | C10 | C19 | H193 | 67.9° | 57.3° |
| C11 | C9 | C10 | C19 | 63.5° | 58.3° |
| C9 | C11 | C12 | H111 | 125.2° | 120.5° |
| C9 | C11 | C12 | H112 | 125.3° | 120.5° |
| C9 | C11 | H111 | H112 | 116.9° | 118.9° |
| C9 | C11 | C12 | C13 | 58.1° | 57.4° |
| C9 | C11 | C12 | H121 | 176.6° | 176.8° |
| C9 | C11 | C12 | H122 | 67.1° | 62.0° |
| H9 | C9 | C10 | C19 | 175.5° | 177.2° |
| H9 | C9 | C11 | C12 | 67.2° | 66.2° |
| H9 | C9 | C11 | H111 | 167.6° | 173.2° |
| H9 | C9 | C11 | H112 | 58.1° | 54.3° |
| C10 | C19 | H191 | H192 | 120.8° | 120.1° |
| C10 | C19 | H191 | H193 | 119.6° | 120.0° |
| C10 | C19 | H192 | H193 | 125.3° | 120.0° |
| C12 | C11 | H111 | H112 | 116.9° | 119.0° |
| C11 | C12 | C13 | H121 | 125.3° | 119.4° |
| C11 | C12 | C13 | H122 | 125.3° | 119.4° |
| C11 | C12 | H121 | H122 | 117.0° | 121.2° |
| C11 | C12 | C13 | C14 | 62.7° | 65.1° |
| C11 | C12 | C13 | C17 | 166.5° | 179.7° |
| C11 | C12 | C13 | C18 | 63.6° | 54.2° |
| H111 | C11 | C12 | C13 | 67.1° | 63.1° |
| H111 | C11 | C12 | H121 | 58.2° | 56.3° |
| H111 | C11 | C12 | H122 | 167.6° | 177.5° |
| H112 | C11 | C12 | C13 | 176.6° | 177.9° |
| H112 | C11 | C12 | H121 | 51.3° | 62.7° |
| H112 | C11 | C12 | H122 | 58.1° | 58.5° |
| C13 | C12 | H121 | H122 | 117.0° | 121.2° |
| C12 | C13 | C14 | C17 | 120.3° | 123.8° |
| C12 | C13 | C14 | C18 | 121.3° | 119.2° |
| C12 | C13 | C17 | C18 | 128.5° | 125.6° |
| C12 | C13 | C14 | C15 | 164.7° | 167.7° |
| C12 | C13 | C14 | H14 | 48.8° | 49.9° |
| C12 | C13 | C17 | C16 | 151.0° | 146.0° |
| C12 | C13 | C17 | C20 | 83.2° | 94.8° |
| C12 | C13 | C17 | H17 | 31.6° | 27.2° |
| C12 | C13 | C18 | H181 | 54.7° | 57.0° |
| C12 | C13 | C18 | H182 | 180.0° | 177.0° |
| C12 | C13 | C18 | H183 | 54.7° | 63.0° |
| H121 | C12 | C13 | C14 | 172.1° | 175.6° |
| H121 | C12 | C13 | C17 | 68.3° | 60.3° |
| H121 | C12 | C13 | C18 | 61.7° | 65.2° |
| H122 | C12 | C13 | C14 | 62.6° | 54.3° |
| H122 | C12 | C13 | C17 | 41.2° | 60.9° |
| H122 | C12 | C13 | C18 | 171.1° | 173.5° |
| C14 | C13 | C17 | C18 | 122.1° | 117.0° |
| C13 | C14 | C15 | H14 | 122.3° | 118.2° |
| C13 | C14 | C15 | C16 | 31.9° | 41.3° |
| C13 | C14 | C15 | H151 | 157.2° | 77.0° |
| C13 | C14 | C15 | H152 | 93.4° | 159.8° |
| C14 | C13 | C17 | C16 | 41.6° | 28.6° |
| C14 | C13 | C17 | C20 | 167.4° | 147.8° |
| C14 | C13 | C17 | H17 | 77.8° | 90.2° |
| C14 | C13 | C18 | H181 | 64.0° | 60.6° |
| C14 | C13 | C18 | H182 | 61.2° | 59.4° |
| C14 | C13 | C18 | H183 | 173.5° | 179.4° |
| C17 | C13 | C14 | C15 | 44.4° | 43.9° |
| C17 | C13 | C14 | H14 | 71.5° | 73.9° |
| C13 | C17 | C16 | C15 | 25.2° | 3.1° |
| C13 | C17 | C16 | C20 | 125.3° | 119.6° |
| C13 | C17 | C16 | H17 | 119.9° | 118.5° |
| C13 | C17 | C16 | H161 | 150.5° | 116.0° |
| C13 | C17 | C16 | H162 | 100.0° | 122.2° |
| C13 | C17 | C20 | H17 | 119.4° | 121.7° |
| C17 | C13 | C18 | H181 | 172.6° | 173.5° |
| C17 | C13 | C18 | H182 | 47.3° | 53.6° |
| C17 | C13 | C18 | H183 | 78.0° | 66.5° |
| C13 | C17 | C20 | C21 | 81.9° | 89.8° |
| C13 | C17 | C20 | O20 | 92.6° | 90.1° |
| C18 | C13 | C14 | C15 | 74.0° | 73.1° |
| C18 | C13 | C14 | H14 | 170.1° | 169.1° |
| C18 | C13 | C17 | C16 | 80.5° | 88.5° |
| C18 | C13 | C17 | C20 | 45.3° | 30.8° |
| C18 | C13 | C17 | H17 | 160.1° | 152.7° |
| C13 | C18 | H181 | H182 | 123.7° | 120.0° |
| C13 | C18 | H181 | H183 | 118.2° | 120.0° |
| C13 | C18 | H182 | H183 | 125.3° | 120.1° |
| C14 | C15 | C16 | H151 | 125.3° | 118.4° |
| C14 | C15 | C16 | H152 | 125.3° | 118.5° |
| C14 | C15 | H151 | H152 | 120.0° | 123.3° |
| C14 | C15 | C16 | C17 | 4.4° | 23.9° |
| C14 | C15 | C16 | H161 | 120.9° | 143.0° |
| C14 | C15 | C16 | H162 | 129.6° | 95.4° |
| H14 | C14 | C15 | C16 | 90.4° | 76.8° |
| H14 | C14 | C15 | H151 | 34.9° | 164.8° |
| H14 | C14 | C15 | H152 | 144.3° | 41.6° |
| C16 | C15 | H151 | H152 | 120.0° | 123.2° |
| C15 | C16 | C17 | H161 | 125.3° | 119.1° |
| C15 | C16 | C17 | H162 | 125.3° | 119.2° |
| C15 | C16 | H161 | H162 | 119.0° | 121.5° |
| C15 | C16 | C17 | C20 | 150.6° | 122.7° |
| C15 | C16 | C17 | H17 | 94.7° | 115.4° |
| H151 | C15 | C16 | C17 | 129.7° | 94.5° |
| H151 | C15 | C16 | H161 | 4.4° | 24.6° |
| H151 | C15 | C16 | H162 | 105.1° | 146.2° |
| H152 | C15 | C16 | C17 | 120.9° | 142.3° |
| H152 | C15 | C16 | H161 | 113.8° | 98.5° |
| H152 | C15 | C16 | H162 | 4.4° | 23.1° |
| C17 | C16 | H161 | H162 | 119.0° | 121.8° |
| C16 | C17 | C20 | H17 | 118.8° | 122.0° |
| C16 | C17 | C20 | C21 | 156.4° | 153.9° |
| C16 | C17 | C20 | O20 | 29.2° | 26.2° |
| H161 | C16 | C17 | C20 | 84.1° | 3.5° |
| H161 | C16 | C17 | H17 | 30.6° | 125.5° |
| H162 | C16 | C17 | C20 | 25.3° | 118.2° |
| H162 | C16 | C17 | H17 | 140.0° | 3.7° |
| C17 | C20 | C21 | O20 | 174.4° | 179.9° |
| C17 | C20 | C21 | O21 | 171.1° | 180.0° |
| C17 | C20 | C21 | H211 | 45.8° | 60.0° |
| C17 | C20 | C21 | H212 | 63.6° | 60.0° |
| H17 | C17 | C20 | C21 | 37.5° | 31.9° |
| H17 | C17 | C20 | O20 | 148.0° | 148.2° |
| H181 | C18 | H182 | H183 | 109.5° | 119.9° |
| H191 | C19 | H192 | H193 | 109.5° | 120.0° |
| C20 | C21 | O21 | H211 | 125.3° | 120.0° |
| C20 | C21 | O21 | H212 | 125.3° | 120.1° |
| C20 | C21 | H211 | H212 | 114.5° | 120.0° |
| C20 | C21 | O21 | HO | 180.0° | 180.0° |
| O20 | C20 | C21 | O21 | 3.3° | 0.1° |
| O20 | C20 | C21 | H211 | 128.6° | 120.0° |
| O20 | C20 | C21 | H212 | 122.0° | 120.0° |
| O21 | C21 | H211 | H212 | 114.6° | 120.0° |
| H211 | C21 | O21 | HO | 54.7° | 60.0° |
| H212 | C21 | O21 | HO | 54.8° | 59.9° |
