ESM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.36Å | Aromatic |
| C1 | HC1 | sing | 1.08Å | 1.10Å | |
| C10 | C5 | sing | 1.38Å | 1.41Å | Aromatic |
| C10 | C9 | sing | 1.50Å | 1.52Å | |
| C11 | C12 | sing | 1.54Å | 1.52Å | |
| C11 | C9 | sing | 1.52Å | 1.53Å | |
| C11 | H111 | sing | 1.09Å | 1.11Å | |
| 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 | 1.55Å | 1.53Å | |
| C13 | C17 | sing | 1.52Å | 1.52Å | |
| C13 | C18 | sing | 1.53Å | 1.56Å | |
| C14 | C15 | sing | 1.53Å | 1.55Å | |
| C14 | C8 | sing | 1.52Å | 1.54Å | |
| C14 | H14C | sing | 1.09Å | 1.11Å | |
| C15 | C16 | sing | 1.55Å | 1.54Å | |
| C15 | H151 | sing | 1.09Å | 1.12Å | |
| C15 | H152 | sing | 1.09Å | 1.12Å | |
| C16 | C17 | sing | 1.55Å | 1.52Å | |
| C16 | H161 | sing | 1.09Å | 1.12Å | |
| C16 | H162 | sing | 1.09Å | 1.12Å | |
| C17 | O17 | sing | 1.43Å | 1.45Å | |
| C17 | H17C | sing | 1.09Å | 1.12Å | |
| C18 | H181 | sing | 1.09Å | 1.11Å | |
| C18 | H182 | sing | 1.09Å | 1.11Å | |
| C18 | H183 | sing | 1.09Å | 1.12Å | |
| C2 | C3 | doub | 1.39Å | 1.38Å | Aromatic |
| C2 | O2 | sing | 1.36Å | 1.40Å | |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | O3 | sing | 1.36Å | 1.36Å | |
| C4 | C5 | doub | 1.39Å | 1.38Å | Aromatic |
| C4 | HC4 | sing | 1.08Å | 1.10Å | |
| C5 | C6 | sing | 1.50Å | 1.53Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C6 | HC61 | sing | 1.09Å | 1.11Å | |
| C6 | HC62 | sing | 1.09Å | 1.11Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | HC71 | sing | 1.09Å | 1.12Å | |
| C7 | HC72 | sing | 1.09Å | 1.12Å | |
| C8 | C9 | sing | 1.53Å | 1.57Å | |
| C8 | HC8 | sing | 1.09Å | 1.12Å | |
| C9 | HC9 | sing | 1.09Å | 1.12Å | |
| O17 | H17O | sing | 0.97Å | 0.95Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O2 | C19 | sing | 1.43Å | 1.42Å | |
| C19 | H191 | sing | 1.09Å | 1.11Å | |
| C19 | H192 | sing | 1.09Å | 1.11Å | |
| C19 | H193 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C1 | C2 | 122.7° | 120.7° |
| C10 | C1 | HC1 | 120.1° | 119.7° |
| C1 | C10 | C5 | 117.1° | 119.9° |
| C1 | C10 | C9 | 121.4° | 118.3° |
| C2 | C1 | HC1 | 117.2° | 119.7° |
| C1 | C2 | C3 | 120.0° | 119.5° |
| C1 | C2 | O2 | 126.7° | 120.2° |
| C5 | C10 | C9 | 121.5° | 121.8° |
| C10 | C5 | C4 | 119.6° | 119.4° |
| C10 | C5 | C6 | 122.3° | 123.1° |
| C10 | C9 | C11 | 112.6° | 111.9° |
| C10 | C9 | C8 | 110.9° | 110.3° |
| C10 | C9 | HC9 | 106.6° | 107.9° |
| C12 | C11 | C9 | 112.0° | 110.6° |
| C12 | C11 | H111 | 111.3° | 109.2° |
| C12 | C11 | H112 | 111.3° | 109.3° |
| C11 | C12 | C13 | 112.9° | 107.7° |
| C11 | C12 | H121 | 111.0° | 109.8° |
| C11 | C12 | H122 | 111.0° | 109.8° |
| C9 | C11 | H111 | 111.3° | 109.3° |
| C9 | C11 | H112 | 111.3° | 109.3° |
| C11 | C9 | C8 | 110.5° | 110.8° |
| C11 | C9 | HC9 | 107.0° | 107.9° |
| H111 | C11 | H112 | 99.1° | 109.2° |
| C13 | C12 | H121 | 111.0° | 109.8° |
| C13 | C12 | H122 | 110.9° | 109.9° |
| C12 | C13 | C14 | 107.8° | 108.1° |
| C12 | C13 | C17 | 116.7° | 116.9° |
| C12 | C13 | C18 | 109.1° | 109.6° |
| H121 | C12 | H122 | 99.4° | 109.8° |
| C14 | C13 | C17 | 98.7° | 102.8° |
| C14 | C13 | C18 | 112.8° | 109.5° |
| C13 | C14 | C15 | 103.2° | 101.7° |
| C13 | C14 | C8 | 112.5° | 105.8° |
| C13 | C14 | H14C | 115.5° | 111.2° |
| C17 | C13 | C18 | 111.4° | 109.6° |
| C13 | C17 | C16 | 103.3° | 105.3° |
| C13 | C17 | O17 | 113.9° | 110.3° |
| C13 | C17 | H17C | 110.6° | 110.2° |
| C13 | C18 | H181 | 112.3° | 109.5° |
| C13 | C18 | H182 | 109.1° | 109.5° |
| C13 | C18 | H183 | 112.3° | 109.4° |
| C15 | C14 | C8 | 118.7° | 115.5° |
| C15 | C14 | H14C | 108.8° | 110.5° |
| C14 | C15 | C16 | 102.9° | 102.5° |
| C14 | C15 | H151 | 114.7° | 110.5° |
| C14 | C15 | H152 | 114.7° | 111.3° |
| C8 | C14 | H14C | 98.7° | 111.6° |
| C14 | C8 | C7 | 113.5° | 111.8° |
| C14 | C8 | C9 | 107.4° | 106.8° |
| C14 | C8 | HC8 | 108.1° | 110.0° |
| C16 | C15 | H151 | 114.7° | 110.7° |
| C16 | C15 | H152 | 114.7° | 110.7° |
| C15 | C16 | C17 | 106.2° | 106.4° |
| C15 | C16 | H161 | 113.5° | 110.1° |
| C15 | C16 | H162 | 113.5° | 110.1° |
| H151 | C15 | H152 | 95.8° | 110.8° |
| C17 | C16 | H161 | 113.5° | 110.1° |
| C17 | C16 | H162 | 113.4° | 110.1° |
| C16 | C17 | O17 | 109.0° | 110.4° |
| C16 | C17 | H17C | 115.3° | 110.3° |
| H161 | C16 | H162 | 97.0° | 110.0° |
| O17 | C17 | H17C | 105.0° | 110.2° |
| C17 | O17 | H17O | 113.8° | 106.8° |
| H181 | C18 | H182 | 112.4° | 109.5° |
| H181 | C18 | H183 | 98.1° | 109.5° |
| H182 | C18 | H183 | 112.3° | 109.4° |
| C3 | C2 | O2 | 113.3° | 120.2° |
| C2 | C3 | C4 | 118.6° | 119.6° |
| C2 | C3 | O3 | 119.1° | 120.3° |
| C2 | O2 | C19 | 116.3° | 106.8° |
| C4 | C3 | O3 | 122.3° | 120.2° |
| C3 | C4 | C5 | 122.0° | 121.0° |
| C3 | C4 | HC4 | 119.3° | 119.3° |
| C3 | O3 | HO3 | 119.1° | 106.8° |
| C5 | C4 | HC4 | 118.6° | 119.6° |
| C4 | C5 | C6 | 118.1° | 117.5° |
| C5 | C6 | C7 | 114.2° | 110.9° |
| C5 | C6 | HC61 | 110.5° | 108.3° |
| C5 | C6 | HC62 | 110.5° | 110.3° |
| C7 | C6 | HC61 | 110.4° | 109.2° |
| C7 | C6 | HC62 | 110.5° | 109.1° |
| C6 | C7 | C8 | 111.8° | 108.2° |
| C6 | C7 | HC71 | 111.3° | 109.7° |
| C6 | C7 | HC72 | 111.4° | 109.7° |
| HC61 | C6 | HC62 | 99.8° | 109.0° |
| C8 | C7 | HC71 | 111.4° | 109.7° |
| C8 | C7 | HC72 | 111.4° | 109.7° |
| C7 | C8 | C9 | 109.2° | 107.9° |
| C7 | C8 | HC8 | 106.2° | 109.9° |
| HC71 | C7 | HC72 | 99.0° | 109.8° |
| C9 | C8 | HC8 | 112.5° | 110.4° |
| C8 | C9 | HC9 | 109.0° | 107.9° |
| O2 | C19 | H191 | 109.7° | 109.5° |
| O2 | C19 | H192 | 116.3° | 109.5° |
| O2 | C19 | H193 | 109.7° | 109.5° |
| H191 | C19 | H192 | 109.7° | 109.5° |
| H191 | C19 | H193 | 100.5° | 109.5° |
| H192 | C19 | H193 | 109.7° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C1 | C2 | HC1 | 180.0° | 180.0° |
| C1 | C10 | C5 | C9 | 179.9° | 179.5° |
| C1 | C10 | C9 | C11 | 32.2° | 35.7° |
| C10 | C1 | C2 | C3 | 0.2° | 0.1° |
| C10 | C1 | C2 | O2 | 180.0° | 179.8° |
| C1 | C10 | C5 | C4 | 1.0° | 0.1° |
| C1 | C10 | C5 | C6 | 179.5° | 178.0° |
| C1 | C10 | C9 | C8 | 156.5° | 159.5° |
| C1 | C10 | C9 | HC9 | 85.0° | 82.8° |
| C2 | C1 | C10 | C5 | 0.8° | 0.2° |
| C2 | C1 | C10 | C9 | 179.4° | 179.3° |
| C1 | C2 | C3 | O2 | 179.8° | 179.8° |
| C1 | C2 | C3 | C4 | 1.0° | 0.4° |
| C1 | C2 | C3 | O3 | 179.0° | 179.7° |
| C1 | C2 | O2 | C19 | 0.9° | 0.0° |
| HC1 | C1 | C10 | C5 | 179.2° | 179.7° |
| HC1 | C1 | C10 | C9 | 0.6° | 0.7° |
| HC1 | C1 | C2 | C3 | 179.8° | 179.9° |
| HC1 | C1 | C2 | O2 | 0.0° | 0.1° |
| C5 | C10 | C9 | C11 | 148.0° | 144.8° |
| C10 | C5 | C4 | C3 | 0.3° | 0.5° |
| C10 | C5 | C4 | C6 | 179.6° | 178.1° |
| C10 | C5 | C4 | HC4 | 179.7° | 178.5° |
| C10 | C5 | C6 | C7 | 6.3° | 17.2° |
| C10 | C5 | C6 | HC61 | 131.5° | 137.0° |
| C10 | C5 | C6 | HC62 | 119.0° | 103.7° |
| C5 | C10 | C9 | C8 | 23.6° | 21.0° |
| C5 | C10 | C9 | HC9 | 94.9° | 96.7° |
| C10 | C9 | C11 | C12 | 179.5° | 179.9° |
| C10 | C9 | C11 | C8 | 124.6° | 123.5° |
| C10 | C9 | C11 | HC9 | 116.9° | 118.5° |
| C10 | C9 | C11 | H111 | 55.2° | 59.6° |
| C10 | C9 | C11 | H112 | 54.2° | 59.8° |
| C10 | C9 | C8 | C14 | 177.5° | 174.1° |
| C9 | C10 | C5 | C4 | 179.1° | 179.6° |
| C9 | C10 | C5 | C6 | 0.4° | 2.5° |
| C10 | C9 | C8 | C7 | 54.0° | 53.8° |
| C10 | C9 | C8 | HC9 | 117.1° | 117.7° |
| C10 | C9 | C8 | HC8 | 63.7° | 66.3° |
| C12 | C11 | C9 | H111 | 125.3° | 120.3° |
| C12 | C11 | C9 | H112 | 125.3° | 120.3° |
| C12 | C11 | H111 | H112 | 117.2° | 119.4° |
| C11 | C12 | C13 | H121 | 125.3° | 119.5° |
| C11 | C12 | C13 | H122 | 125.2° | 119.6° |
| C11 | C12 | H121 | H122 | 116.8° | 120.9° |
| C11 | C12 | C13 | C14 | 55.5° | 63.5° |
| C11 | C12 | C13 | C17 | 165.3° | 178.8° |
| C11 | C12 | C13 | C18 | 67.3° | 55.8° |
| C12 | C11 | C9 | C8 | 54.9° | 56.6° |
| C12 | C11 | C9 | HC9 | 63.6° | 61.4° |
| C9 | C11 | H111 | H112 | 117.2° | 119.5° |
| C9 | C11 | C12 | C13 | 54.7° | 57.0° |
| C9 | C11 | C12 | H121 | 180.0° | 62.5° |
| C9 | C11 | C12 | H122 | 70.5° | 176.6° |
| C11 | C9 | C8 | C14 | 57.0° | 61.4° |
| C11 | C9 | C8 | C7 | 179.6° | 178.2° |
| C11 | C9 | C8 | HC9 | 117.3° | 117.9° |
| C11 | C9 | C8 | HC8 | 61.9° | 58.1° |
| H111 | C11 | C12 | C13 | 180.0° | 177.3° |
| H111 | C11 | C12 | H121 | 54.7° | 57.8° |
| H111 | C11 | C12 | H122 | 54.8° | 63.1° |
| H111 | C11 | C9 | C8 | 179.8° | 176.8° |
| H111 | C11 | C9 | HC9 | 61.6° | 58.9° |
| H112 | C11 | C12 | C13 | 70.5° | 63.3° |
| H112 | C11 | C12 | H121 | 54.8° | 177.2° |
| H112 | C11 | C12 | H122 | 164.3° | 56.3° |
| H112 | C11 | C9 | C8 | 70.3° | 63.8° |
| H112 | C11 | C9 | HC9 | 171.1° | 178.3° |
| C13 | C12 | H121 | H122 | 116.8° | 120.9° |
| C12 | C13 | C14 | C17 | 121.8° | 124.2° |
| C12 | C13 | C14 | C18 | 120.5° | 119.3° |
| C12 | C13 | C17 | C18 | 126.2° | 125.4° |
| C12 | C13 | C14 | C15 | 170.7° | 169.5° |
| C12 | C13 | C14 | C8 | 60.2° | 69.6° |
| C12 | C13 | C14 | H14C | 52.1° | 51.8° |
| C12 | C13 | C17 | C16 | 161.8° | 147.8° |
| C12 | C13 | C17 | O17 | 80.0° | 93.1° |
| C12 | C13 | C17 | H17C | 37.9° | 28.9° |
| C12 | C13 | C18 | H181 | 54.8° | 54.0° |
| C12 | C13 | C18 | H182 | 180.0° | 174.0° |
| C12 | C13 | C18 | H183 | 54.7° | 66.1° |
| H121 | C12 | C13 | C14 | 179.2° | 56.0° |
| H121 | C12 | C13 | C17 | 69.4° | 59.3° |
| H121 | C12 | C13 | C18 | 58.0° | 175.3° |
| H122 | C12 | C13 | C14 | 69.7° | 176.9° |
| H122 | C12 | C13 | C17 | 40.1° | 61.6° |
| H122 | C12 | C13 | C18 | 167.5° | 63.8° |
| C14 | C13 | C17 | C18 | 118.7° | 116.4° |
| C13 | C14 | C15 | C8 | 125.2° | 114.0° |
| C13 | C14 | C15 | H14C | 123.1° | 118.2° |
| C13 | C14 | C8 | H14C | 122.3° | 121.1° |
| C13 | C14 | C15 | C16 | 32.1° | 42.5° |
| C13 | C14 | C15 | H151 | 157.3° | 160.5° |
| C13 | C14 | C15 | H152 | 93.2° | 75.9° |
| C14 | C13 | C17 | C16 | 46.8° | 29.6° |
| C14 | C13 | C17 | O17 | 164.9° | 148.7° |
| C14 | C13 | C17 | H17C | 77.1° | 89.3° |
| C14 | C13 | C18 | H181 | 65.0° | 64.4° |
| C14 | C13 | C18 | H182 | 60.3° | 55.6° |
| C14 | C13 | C18 | H183 | 174.5° | 175.5° |
| C13 | C14 | C8 | C7 | 177.7° | 175.9° |
| C13 | C14 | C8 | C9 | 61.5° | 66.3° |
| C13 | C14 | C8 | HC8 | 60.1° | 53.5° |
| C17 | C13 | C14 | C15 | 48.9° | 45.2° |
| C17 | C13 | C14 | C8 | 178.0° | 166.2° |
| C17 | C13 | C14 | H14C | 69.7° | 72.4° |
| C13 | C17 | C16 | C15 | 27.7° | 3.4° |
| C13 | C17 | C16 | O17 | 121.4° | 119.1° |
| C13 | C17 | C16 | H17C | 120.8° | 118.9° |
| C13 | C17 | C16 | H161 | 153.0° | 122.6° |
| C13 | C17 | C16 | H162 | 97.5° | 115.8° |
| C13 | C17 | O17 | H17C | 121.1° | 122.0° |
| C17 | C13 | C18 | H181 | 174.9° | 176.5° |
| C17 | C13 | C18 | H182 | 49.6° | 56.5° |
| C17 | C13 | C18 | H183 | 75.6° | 63.4° |
| C13 | C17 | O17 | H17O | 180.0° | 180.0° |
| C18 | C13 | C14 | C15 | 68.8° | 71.2° |
| C18 | C13 | C14 | C8 | 60.3° | 49.7° |
| C18 | C13 | C14 | H14C | 172.5° | 171.1° |
| C18 | C13 | C17 | C16 | 71.9° | 86.8° |
| C18 | C13 | C17 | O17 | 46.2° | 32.3° |
| C18 | C13 | C17 | H17C | 164.1° | 154.2° |
| C13 | C18 | H181 | H182 | 123.4° | 120.0° |
| C13 | C18 | H181 | H183 | 118.3° | 120.0° |
| C13 | C18 | H182 | H183 | 125.2° | 119.9° |
| C15 | C14 | C8 | H14C | 117.1° | 127.3° |
| C14 | C15 | C16 | H151 | 125.2° | 117.9° |
| C14 | C15 | C16 | H152 | 125.3° | 118.8° |
| C14 | C15 | H151 | H152 | 120.6° | 123.8° |
| C14 | C15 | C16 | C17 | 2.7° | 24.5° |
| C14 | C15 | C16 | H161 | 122.6° | 94.8° |
| C14 | C15 | C16 | H162 | 128.0° | 143.8° |
| C15 | C14 | C8 | C7 | 57.1° | 64.3° |
| C15 | C14 | C8 | C9 | 177.9° | 177.9° |
| C15 | C14 | C8 | HC8 | 60.5° | 58.1° |
| C8 | C14 | C15 | C16 | 157.3° | 156.4° |
| C8 | C14 | C15 | H151 | 77.5° | 85.5° |
| C8 | C14 | C15 | H152 | 32.0° | 38.0° |
| C14 | C8 | C7 | C6 | 178.0° | 172.7° |
| C14 | C8 | C7 | C9 | 119.8° | 117.2° |
| C14 | C8 | C7 | HC8 | 118.7° | 122.4° |
| C14 | C8 | C7 | HC71 | 56.7° | 67.6° |
| C14 | C8 | C7 | HC72 | 52.7° | 53.0° |
| C14 | C8 | C9 | HC8 | 118.8° | 119.5° |
| C14 | C8 | C9 | HC9 | 60.4° | 56.5° |
| H14C | C14 | C15 | C16 | 91.1° | 75.7° |
| H14C | C14 | C15 | H151 | 34.2° | 42.4° |
| H14C | C14 | C15 | H152 | 143.7° | 165.9° |
| H14C | C14 | C8 | C7 | 60.0° | 63.0° |
| H14C | C14 | C8 | C9 | 60.8° | 54.8° |
| H14C | C14 | C8 | HC8 | 177.6° | 174.6° |
| C16 | C15 | H151 | H152 | 120.6° | 123.3° |
| C15 | C16 | C17 | H161 | 125.3° | 119.3° |
| C15 | C16 | C17 | H162 | 125.3° | 119.2° |
| C15 | C16 | H161 | H162 | 119.4° | 121.5° |
| C15 | C16 | C17 | O17 | 149.2° | 122.5° |
| C15 | C16 | C17 | H17C | 93.0° | 115.5° |
| H151 | C15 | C16 | C17 | 128.0° | 142.4° |
| H151 | C15 | C16 | H161 | 2.7° | 23.2° |
| H151 | C15 | C16 | H162 | 106.8° | 98.3° |
| H152 | C15 | C16 | C17 | 122.5° | 94.3° |
| H152 | C15 | C16 | H161 | 112.2° | 146.5° |
| H152 | C15 | C16 | H162 | 2.7° | 25.0° |
| C17 | C16 | H161 | H162 | 119.3° | 121.6° |
| C16 | C17 | O17 | H17C | 124.1° | 122.0° |
| C16 | C17 | O17 | H17O | 65.2° | 64.0° |
| H161 | C16 | C17 | O17 | 85.5° | 118.3° |
| H161 | C16 | C17 | H17C | 32.3° | 3.7° |
| H162 | C16 | C17 | O17 | 23.9° | 3.3° |
| H162 | C16 | C17 | H17C | 141.7° | 125.3° |
| H17C | C17 | O17 | H17O | 58.9° | 58.0° |
| H181 | C18 | H182 | H183 | 109.5° | 120.0° |
| C2 | C3 | C4 | O3 | 180.0° | 179.3° |
| C2 | C3 | C4 | C5 | 0.7° | 0.7° |
| C2 | C3 | C4 | HC4 | 179.3° | 178.4° |
| C2 | C3 | O3 | HO3 | 180.0° | 89.4° |
| C3 | C2 | O2 | C19 | 179.3° | 179.8° |
| O2 | C2 | C3 | C4 | 179.2° | 179.4° |
| O2 | C2 | C3 | O3 | 0.8° | 0.1° |
| C2 | O2 | C19 | H191 | 54.7° | 180.0° |
| C2 | O2 | C19 | H192 | 180.0° | 60.0° |
| C2 | O2 | C19 | H193 | 54.8° | 60.0° |
| C3 | C4 | C5 | HC4 | 180.0° | 179.0° |
| C3 | C4 | C5 | C6 | 179.8° | 178.6° |
| C4 | C3 | O3 | HO3 | 0.0° | 90.0° |
| O3 | C3 | C4 | C5 | 179.3° | 180.0° |
| O3 | C3 | C4 | HC4 | 0.7° | 1.0° |
| C4 | C5 | C6 | C7 | 174.2° | 164.8° |
| C4 | C5 | C6 | HC61 | 48.9° | 45.1° |
| C4 | C5 | C6 | HC62 | 60.6° | 74.2° |
| HC4 | C4 | C5 | C6 | 0.2° | 0.4° |
| C5 | C6 | C7 | HC61 | 125.3° | 119.3° |
| C5 | C6 | C7 | HC62 | 125.3° | 121.7° |
| C5 | C6 | HC61 | HC62 | 116.3° | 120.1° |
| C5 | C6 | C7 | C8 | 37.8° | 50.0° |
| C5 | C6 | C7 | HC71 | 87.4° | 69.7° |
| C5 | C6 | C7 | HC72 | 163.1° | 169.6° |
| C7 | C6 | HC61 | HC62 | 116.3° | 119.1° |
| C6 | C7 | C8 | HC71 | 125.2° | 119.7° |
| C6 | C7 | C8 | HC72 | 125.3° | 119.7° |
| C6 | C7 | HC71 | HC72 | 117.2° | 120.7° |
| C6 | C7 | C8 | C9 | 62.2° | 70.2° |
| C6 | C7 | C8 | HC8 | 59.4° | 50.3° |
| HC61 | C6 | C7 | C8 | 163.1° | 169.3° |
| HC61 | C6 | C7 | HC71 | 37.8° | 49.6° |
| HC61 | C6 | C7 | HC72 | 71.6° | 71.1° |
| HC62 | C6 | C7 | C8 | 87.4° | 71.7° |
| HC62 | C6 | C7 | HC71 | 147.3° | 168.6° |
| HC62 | C6 | C7 | HC72 | 37.9° | 47.9° |
| C8 | C7 | HC71 | HC72 | 117.3° | 120.6° |
| C7 | C8 | C9 | HC8 | 117.7° | 120.1° |
| C7 | C8 | C9 | HC9 | 63.1° | 63.9° |
| HC71 | C7 | C8 | C9 | 63.1° | 49.5° |
| HC71 | C7 | C8 | HC8 | 175.4° | 170.0° |
| HC72 | C7 | C8 | C9 | 172.6° | 170.1° |
| HC72 | C7 | C8 | HC8 | 65.9° | 69.4° |
| HC8 | C8 | C9 | HC9 | 179.2° | 176.0° |
| O2 | C19 | H191 | H192 | 129.0° | 120.0° |
| O2 | C19 | H191 | H193 | 115.5° | 120.0° |
| O2 | C19 | H192 | H193 | 125.2° | 120.0° |
| H191 | C19 | H192 | H193 | 109.5° | 120.0° |
