XPE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C2 | sing | 1.43Å | 1.44Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | H21 | sing | 1.09Å | 1.12Å | |
| C2 | H22 | sing | 1.09Å | 1.11Å | |
| C3 | O4 | sing | 1.43Å | 1.47Å | |
| C3 | H31A | sing | 1.09Å | 1.11Å | |
| C3 | H32 | sing | 1.09Å | 1.11Å | |
| O4 | C5 | sing | 1.43Å | 1.46Å | |
| C5 | C6 | sing | 1.53Å | 1.59Å | |
| C5 | H51 | sing | 1.09Å | 1.11Å | |
| C5 | H52 | sing | 1.09Å | 1.11Å | |
| C6 | O7 | sing | 1.43Å | 1.49Å | |
| C6 | H61 | sing | 1.09Å | 1.12Å | |
| C6 | H62 | sing | 1.09Å | 1.12Å | |
| O7 | C8 | sing | 1.43Å | 1.45Å | |
| C8 | C9 | sing | 1.53Å | 1.54Å | |
| C8 | H81 | sing | 1.09Å | 1.11Å | |
| C8 | H82 | sing | 1.09Å | 1.11Å | |
| C9 | O10 | sing | 1.43Å | 1.46Å | |
| C9 | H91 | sing | 1.09Å | 1.11Å | |
| C9 | H92 | sing | 1.09Å | 1.11Å | |
| O10 | C11 | sing | 1.43Å | 1.42Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C11 | H111 | sing | 1.09Å | 1.11Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| C12 | O13 | sing | 1.43Å | 1.41Å | |
| C12 | H121 | sing | 1.09Å | 1.12Å | |
| C12 | H122 | sing | 1.09Å | 1.11Å | |
| O13 | C14 | sing | 1.43Å | 1.40Å | |
| C14 | C15 | sing | 1.53Å | 1.49Å | |
| C14 | H141 | sing | 1.09Å | 1.11Å | |
| C14 | H142 | sing | 1.09Å | 1.11Å | |
| C15 | O16 | sing | 1.43Å | 1.41Å | |
| C15 | H151 | sing | 1.09Å | 1.11Å | |
| C15 | H152 | sing | 1.09Å | 1.12Å | |
| O16 | C17 | sing | 1.43Å | 1.43Å | |
| C17 | C18 | sing | 1.53Å | 1.51Å | |
| C17 | H171 | sing | 1.09Å | 1.12Å | |
| C17 | H172 | sing | 1.09Å | 1.11Å | |
| C18 | O19 | sing | 1.43Å | 1.43Å | |
| C18 | H181 | sing | 1.09Å | 1.12Å | |
| C18 | H182 | sing | 1.09Å | 1.11Å | |
| O19 | C20 | sing | 1.43Å | 1.41Å | |
| C20 | C21 | sing | 1.53Å | 1.49Å | |
| C20 | H201 | sing | 1.09Å | 1.11Å | |
| C20 | H202 | sing | 1.09Å | 1.12Å | |
| C21 | O22 | sing | 1.43Å | 1.44Å | |
| C21 | H211 | sing | 1.09Å | 1.11Å | |
| C21 | H212 | sing | 1.09Å | 1.11Å | |
| O22 | C23 | sing | 1.43Å | 1.45Å | |
| C23 | C24 | sing | 1.53Å | 1.51Å | |
| C23 | H231 | sing | 1.09Å | 1.11Å | |
| C23 | H232 | sing | 1.09Å | 1.11Å | |
| C24 | O25 | sing | 1.43Å | 1.45Å | |
| C24 | H241 | sing | 1.09Å | 1.11Å | |
| C24 | H242 | sing | 1.09Å | 1.11Å | |
| O25 | C26 | sing | 1.43Å | 1.47Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| C26 | H261 | sing | 1.09Å | 1.12Å | |
| C26 | H262 | sing | 1.09Å | 1.11Å | |
| C27 | O28 | sing | 1.43Å | 1.42Å | |
| C27 | H271 | sing | 1.09Å | 1.11Å | |
| C27 | H272 | sing | 1.09Å | 1.11Å | |
| O28 | C29 | sing | 1.43Å | 1.44Å | |
| C29 | C30 | sing | 1.53Å | 1.54Å | |
| C29 | H291 | sing | 1.09Å | 1.12Å | |
| C29 | H292 | sing | 1.09Å | 1.11Å | |
| C30 | O31 | sing | 1.43Å | 1.44Å | |
| C30 | H301 | sing | 1.09Å | 1.11Å | |
| C30 | H302 | sing | 1.09Å | 1.11Å | |
| O31 | H31 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | O1 | HO1 | 109.9° | 106.8° |
| O1 | C2 | C3 | 110.0° | 109.5° |
| O1 | C2 | H21 | 112.0° | 109.4° |
| O1 | C2 | H22 | 112.0° | 109.5° |
| C3 | C2 | H21 | 112.1° | 109.5° |
| C3 | C2 | H22 | 112.1° | 109.5° |
| C2 | C3 | O4 | 109.8° | 109.5° |
| C2 | C3 | H31A | 112.1° | 109.5° |
| C2 | C3 | H32 | 112.1° | 109.5° |
| H21 | C2 | H22 | 98.4° | 109.5° |
| O4 | C3 | H31A | 112.1° | 109.5° |
| O4 | C3 | H32 | 112.1° | 109.4° |
| C3 | O4 | C5 | 121.6° | 106.8° |
| H31A | C3 | H32 | 98.4° | 109.5° |
| O4 | C5 | C6 | 120.0° | 109.5° |
| O4 | C5 | H51 | 108.4° | 109.4° |
| O4 | C5 | H52 | 108.5° | 109.4° |
| C6 | C5 | H51 | 108.4° | 109.5° |
| C6 | C5 | H52 | 108.4° | 109.5° |
| C5 | C6 | O7 | 105.7° | 109.5° |
| C5 | C6 | H61 | 113.6° | 109.5° |
| C5 | C6 | H62 | 113.6° | 109.5° |
| H51 | C5 | H52 | 101.5° | 109.4° |
| O7 | C6 | H61 | 113.7° | 109.5° |
| O7 | C6 | H62 | 113.6° | 109.4° |
| C6 | O7 | C8 | 125.3° | 106.8° |
| H61 | C6 | H62 | 96.8° | 109.5° |
| O7 | C8 | C9 | 106.0° | 109.5° |
| O7 | C8 | H81 | 113.5° | 109.5° |
| O7 | C8 | H82 | 113.5° | 109.4° |
| C9 | C8 | H81 | 113.5° | 109.5° |
| C9 | C8 | H82 | 113.5° | 109.4° |
| C8 | C9 | O10 | 107.2° | 109.5° |
| C8 | C9 | H91 | 113.0° | 109.4° |
| C8 | C9 | H92 | 113.1° | 109.5° |
| H81 | C8 | H82 | 97.0° | 109.5° |
| O10 | C9 | H91 | 113.1° | 109.4° |
| O10 | C9 | H92 | 113.1° | 109.5° |
| C9 | O10 | C11 | 113.3° | 106.8° |
| H91 | C9 | H92 | 97.4° | 109.5° |
| O10 | C11 | C12 | 109.3° | 109.5° |
| O10 | C11 | H111 | 112.3° | 109.5° |
| O10 | C11 | H112 | 112.3° | 109.4° |
| C12 | C11 | H111 | 112.3° | 109.5° |
| C12 | C11 | H112 | 112.3° | 109.5° |
| C11 | C12 | O13 | 108.1° | 109.5° |
| C11 | C12 | H121 | 112.7° | 109.4° |
| C11 | C12 | H122 | 112.7° | 109.4° |
| H111 | C11 | H112 | 98.2° | 109.5° |
| O13 | C12 | H121 | 112.7° | 109.5° |
| O13 | C12 | H122 | 112.7° | 109.5° |
| C12 | O13 | C14 | 112.9° | 106.8° |
| H121 | C12 | H122 | 97.7° | 109.5° |
| O13 | C14 | C15 | 109.1° | 109.5° |
| O13 | C14 | H141 | 112.3° | 109.5° |
| O13 | C14 | H142 | 112.3° | 109.5° |
| C15 | C14 | H141 | 112.4° | 109.4° |
| C15 | C14 | H142 | 112.4° | 109.5° |
| C14 | C15 | O16 | 100.2° | 109.5° |
| C14 | C15 | H151 | 115.8° | 109.5° |
| C14 | C15 | H152 | 115.8° | 109.5° |
| H141 | C14 | H142 | 98.1° | 109.5° |
| O16 | C15 | H151 | 115.7° | 109.4° |
| O16 | C15 | H152 | 115.8° | 109.4° |
| C15 | O16 | C17 | 113.2° | 106.8° |
| H151 | C15 | H152 | 94.7° | 109.5° |
| O16 | C17 | C18 | 101.8° | 109.5° |
| O16 | C17 | H171 | 115.2° | 109.5° |
| O16 | C17 | H172 | 115.2° | 109.5° |
| C18 | C17 | H171 | 115.2° | 109.5° |
| C18 | C17 | H172 | 115.2° | 109.5° |
| C17 | C18 | O19 | 106.2° | 109.5° |
| C17 | C18 | H181 | 113.4° | 109.5° |
| C17 | C18 | H182 | 113.5° | 109.5° |
| H171 | C17 | H172 | 95.3° | 109.5° |
| O19 | C18 | H181 | 113.4° | 109.5° |
| O19 | C18 | H182 | 113.5° | 109.5° |
| C18 | O19 | C20 | 110.9° | 106.8° |
| H181 | C18 | H182 | 97.0° | 109.4° |
| O19 | C20 | C21 | 106.2° | 109.5° |
| O19 | C20 | H201 | 113.4° | 109.5° |
| O19 | C20 | H202 | 113.4° | 109.5° |
| C21 | C20 | H201 | 113.4° | 109.4° |
| C21 | C20 | H202 | 113.4° | 109.5° |
| C20 | C21 | O22 | 107.6° | 109.4° |
| C20 | C21 | H211 | 112.9° | 109.5° |
| C20 | C21 | H212 | 112.9° | 109.5° |
| H201 | C20 | H202 | 97.0° | 109.5° |
| O22 | C21 | H211 | 112.9° | 109.5° |
| O22 | C21 | H212 | 112.9° | 109.5° |
| C21 | O22 | C23 | 108.4° | 106.8° |
| H211 | C21 | H212 | 97.5° | 109.5° |
| O22 | C23 | C24 | 109.4° | 109.5° |
| O22 | C23 | H231 | 112.2° | 109.5° |
| O22 | C23 | H232 | 112.2° | 109.5° |
| C24 | C23 | H231 | 112.2° | 109.5° |
| C24 | C23 | H232 | 112.2° | 109.4° |
| C23 | C24 | O25 | 110.2° | 109.5° |
| C23 | C24 | H241 | 111.9° | 109.5° |
| C23 | C24 | H242 | 112.0° | 109.5° |
| H231 | C23 | H232 | 98.2° | 109.5° |
| O25 | C24 | H241 | 111.9° | 109.4° |
| O25 | C24 | H242 | 111.9° | 109.5° |
| C24 | O25 | C26 | 109.9° | 106.8° |
| H241 | C24 | H242 | 98.5° | 109.4° |
| O25 | C26 | C27 | 112.7° | 109.4° |
| O25 | C26 | H261 | 111.0° | 109.4° |
| O25 | C26 | H262 | 111.0° | 109.5° |
| C27 | C26 | H261 | 111.0° | 109.5° |
| C27 | C26 | H262 | 111.0° | 109.5° |
| C26 | C27 | O28 | 108.9° | 109.5° |
| C26 | C27 | H271 | 112.4° | 109.5° |
| C26 | C27 | H272 | 112.4° | 109.4° |
| H261 | C26 | H262 | 99.3° | 109.5° |
| O28 | C27 | H271 | 112.4° | 109.5° |
| O28 | C27 | H272 | 112.4° | 109.4° |
| C27 | O28 | C29 | 112.0° | 106.8° |
| H271 | C27 | H272 | 98.1° | 109.5° |
| O28 | C29 | C30 | 111.6° | 109.5° |
| O28 | C29 | H291 | 111.4° | 109.5° |
| O28 | C29 | H292 | 111.4° | 109.5° |
| C30 | C29 | H291 | 111.4° | 109.5° |
| C30 | C29 | H292 | 111.4° | 109.5° |
| C29 | C30 | O31 | 109.8° | 109.5° |
| C29 | C30 | H301 | 112.1° | 109.5° |
| C29 | C30 | H302 | 112.1° | 109.6° |
| H291 | C29 | H292 | 98.9° | 109.5° |
| O31 | C30 | H301 | 112.1° | 109.4° |
| O31 | C30 | H302 | 112.1° | 109.5° |
| C30 | O31 | H31 | 109.8° | 106.8° |
| H301 | C30 | H302 | 98.3° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C2 | C3 | H21 | 125.3° | 120.0° |
| O1 | C2 | C3 | H22 | 125.2° | 120.0° |
| O1 | C2 | H21 | H22 | 117.9° | 120.0° |
| O1 | C2 | C3 | O4 | 143.4° | 60.0° |
| O1 | C2 | C3 | H31A | 18.2° | 60.0° |
| O1 | C2 | C3 | H32 | 91.3° | 180.0° |
| HO1 | O1 | C2 | C3 | 180.0° | 180.0° |
| HO1 | O1 | C2 | H21 | 54.7° | 60.0° |
| HO1 | O1 | C2 | H22 | 54.7° | 60.0° |
| C3 | C2 | H21 | H22 | 118.0° | 120.0° |
| C2 | C3 | O4 | H31A | 125.2° | 120.0° |
| C2 | C3 | O4 | H32 | 125.2° | 120.0° |
| C2 | C3 | H31A | H32 | 118.0° | 120.0° |
| C2 | C3 | O4 | C5 | 57.7° | 180.0° |
| H21 | C2 | C3 | O4 | 91.3° | 180.0° |
| H21 | C2 | C3 | H31A | 143.5° | 60.0° |
| H21 | C2 | C3 | H32 | 33.9° | 60.1° |
| H22 | C2 | C3 | O4 | 18.2° | 60.0° |
| H22 | C2 | C3 | H31A | 107.0° | 180.0° |
| H22 | C2 | C3 | H32 | 143.4° | 60.0° |
| O4 | C3 | H31A | H32 | 118.0° | 120.0° |
| C3 | O4 | C5 | C6 | 137.1° | 180.0° |
| C3 | O4 | C5 | H51 | 97.6° | 60.0° |
| C3 | O4 | C5 | H52 | 11.9° | 59.9° |
| H31A | C3 | O4 | C5 | 67.6° | 60.0° |
| H32 | C3 | O4 | C5 | 177.1° | 60.0° |
| O4 | C5 | C6 | H51 | 125.3° | 120.0° |
| O4 | C5 | C6 | H52 | 125.3° | 120.0° |
| O4 | C5 | H51 | H52 | 114.1° | 119.9° |
| O4 | C5 | C6 | O7 | 108.4° | 60.0° |
| O4 | C5 | C6 | H61 | 16.9° | 60.0° |
| O4 | C5 | C6 | H62 | 126.3° | 180.0° |
| C6 | C5 | H51 | H52 | 114.1° | 120.0° |
| C5 | C6 | O7 | H61 | 125.3° | 120.0° |
| C5 | C6 | O7 | H62 | 125.3° | 120.0° |
| C5 | C6 | H61 | H62 | 119.5° | 120.0° |
| C5 | C6 | O7 | C8 | 168.7° | 180.0° |
| H51 | C5 | C6 | O7 | 126.3° | 180.0° |
| H51 | C5 | C6 | H61 | 108.4° | 60.0° |
| H51 | C5 | C6 | H62 | 1.0° | 60.0° |
| H52 | C5 | C6 | O7 | 16.9° | 60.0° |
| H52 | C5 | C6 | H61 | 142.2° | 180.0° |
| H52 | C5 | C6 | H62 | 108.4° | 60.0° |
| O7 | C6 | H61 | H62 | 119.5° | 119.9° |
| C6 | O7 | C8 | C9 | 149.0° | 180.0° |
| C6 | O7 | C8 | H81 | 23.7° | 60.0° |
| C6 | O7 | C8 | H82 | 85.8° | 60.0° |
| H61 | C6 | O7 | C8 | 66.0° | 60.0° |
| H62 | C6 | O7 | C8 | 43.5° | 60.0° |
| O7 | C8 | C9 | H81 | 125.3° | 120.0° |
| O7 | C8 | C9 | H82 | 125.2° | 120.0° |
| O7 | C8 | H81 | H82 | 119.4° | 120.0° |
| O7 | C8 | C9 | O10 | 85.0° | 60.0° |
| O7 | C8 | C9 | H91 | 149.7° | 60.0° |
| O7 | C8 | C9 | H92 | 40.3° | 180.0° |
| C9 | C8 | H81 | H82 | 119.5° | 120.0° |
| C8 | C9 | O10 | H91 | 125.3° | 119.9° |
| C8 | C9 | O10 | H92 | 125.3° | 120.0° |
| C8 | C9 | H91 | H92 | 119.0° | 120.0° |
| C8 | C9 | O10 | C11 | 177.0° | 180.0° |
| H81 | C8 | C9 | O10 | 40.3° | 180.0° |
| H81 | C8 | C9 | H91 | 85.0° | 60.0° |
| H81 | C8 | C9 | H92 | 165.5° | 60.0° |
| H82 | C8 | C9 | O10 | 149.8° | 60.0° |
| H82 | C8 | C9 | H91 | 24.5° | 179.9° |
| H82 | C8 | C9 | H92 | 85.0° | 60.1° |
| O10 | C9 | H91 | H92 | 119.0° | 120.0° |
| C9 | O10 | C11 | C12 | 178.0° | 180.0° |
| C9 | O10 | C11 | H111 | 56.7° | 60.0° |
| C9 | O10 | C11 | H112 | 52.7° | 60.0° |
| H91 | C9 | O10 | C11 | 57.7° | 60.0° |
| H92 | C9 | O10 | C11 | 51.8° | 60.0° |
| O10 | C11 | C12 | H111 | 125.3° | 120.0° |
| O10 | C11 | C12 | H112 | 125.3° | 119.9° |
| O10 | C11 | H111 | H112 | 118.2° | 119.9° |
| O10 | C11 | C12 | O13 | 82.5° | 60.0° |
| O10 | C11 | C12 | H121 | 152.2° | 60.1° |
| O10 | C11 | C12 | H122 | 42.7° | 180.0° |
| C12 | C11 | H111 | H112 | 118.2° | 120.0° |
| C11 | C12 | O13 | H121 | 125.3° | 120.0° |
| C11 | C12 | O13 | H122 | 125.2° | 120.0° |
| C11 | C12 | H121 | H122 | 118.6° | 119.9° |
| C11 | C12 | O13 | C14 | 149.2° | 180.0° |
| H111 | C11 | C12 | O13 | 42.7° | 180.0° |
| H111 | C11 | C12 | H121 | 82.6° | 60.0° |
| H111 | C11 | C12 | H122 | 168.0° | 60.0° |
| H112 | C11 | C12 | O13 | 152.2° | 59.9° |
| H112 | C11 | C12 | H121 | 26.9° | 180.0° |
| H112 | C11 | C12 | H122 | 82.5° | 60.0° |
| O13 | C12 | H121 | H122 | 118.6° | 120.0° |
| C12 | O13 | C14 | C15 | 161.8° | 180.0° |
| C12 | O13 | C14 | H141 | 36.5° | 60.0° |
| C12 | O13 | C14 | H142 | 72.9° | 60.1° |
| H121 | C12 | O13 | C14 | 23.9° | 60.0° |
| H122 | C12 | O13 | C14 | 85.6° | 60.1° |
| O13 | C14 | C15 | H141 | 125.3° | 120.0° |
| O13 | C14 | C15 | H142 | 125.3° | 120.0° |
| O13 | C14 | H141 | H142 | 118.2° | 120.0° |
| O13 | C14 | C15 | O16 | 69.9° | 60.0° |
| O13 | C14 | C15 | H151 | 55.4° | 60.0° |
| O13 | C14 | C15 | H152 | 164.8° | 180.0° |
| C15 | C14 | H141 | H142 | 118.3° | 120.0° |
| C14 | C15 | O16 | H151 | 125.2° | 120.0° |
| C14 | C15 | O16 | H152 | 125.3° | 120.1° |
| C14 | C15 | H151 | H152 | 121.6° | 120.1° |
| C14 | C15 | O16 | C17 | 178.2° | 180.0° |
| H141 | C14 | C15 | O16 | 164.9° | 180.0° |
| H141 | C14 | C15 | H151 | 69.9° | 60.0° |
| H141 | C14 | C15 | H152 | 39.6° | 60.0° |
| H142 | C14 | C15 | O16 | 55.4° | 60.0° |
| H142 | C14 | C15 | H151 | 179.4° | 179.9° |
| H142 | C14 | C15 | H152 | 69.9° | 60.0° |
| O16 | C15 | H151 | H152 | 121.6° | 119.9° |
| C15 | O16 | C17 | C18 | 177.9° | 180.0° |
| C15 | O16 | C17 | H171 | 56.8° | 60.0° |
| C15 | O16 | C17 | H172 | 52.6° | 60.0° |
| H151 | C15 | O16 | C17 | 56.6° | 60.0° |
| H152 | C15 | O16 | C17 | 52.9° | 60.0° |
| O16 | C17 | C18 | H171 | 125.3° | 120.0° |
| O16 | C17 | C18 | H172 | 125.3° | 120.0° |
| O16 | C17 | H171 | H172 | 121.0° | 120.0° |
| O16 | C17 | C18 | O19 | 80.2° | 60.0° |
| O16 | C17 | C18 | H181 | 154.6° | 60.0° |
| O16 | C17 | C18 | H182 | 45.1° | 180.0° |
| C18 | C17 | H171 | H172 | 121.0° | 120.0° |
| C17 | C18 | O19 | H181 | 125.3° | 120.0° |
| C17 | C18 | O19 | H182 | 125.3° | 120.0° |
| C17 | C18 | H181 | H182 | 119.4° | 120.0° |
| C17 | C18 | O19 | C20 | 179.1° | 180.0° |
| H171 | C17 | C18 | O19 | 45.1° | 180.0° |
| H171 | C17 | C18 | H181 | 80.2° | 59.9° |
| H171 | C17 | C18 | H182 | 170.4° | 60.0° |
| H172 | C17 | C18 | O19 | 154.5° | 60.0° |
| H172 | C17 | C18 | H181 | 29.3° | 180.0° |
| H172 | C17 | C18 | H182 | 80.2° | 60.0° |
| O19 | C18 | H181 | H182 | 119.4° | 120.0° |
| C18 | O19 | C20 | C21 | 166.4° | 180.0° |
| C18 | O19 | C20 | H201 | 68.3° | 60.1° |
| C18 | O19 | C20 | H202 | 41.1° | 60.0° |
| H181 | C18 | O19 | C20 | 53.9° | 60.0° |
| H182 | C18 | O19 | C20 | 55.6° | 60.0° |
| O19 | C20 | C21 | H201 | 125.3° | 120.0° |
| O19 | C20 | C21 | H202 | 125.3° | 120.0° |
| O19 | C20 | H201 | H202 | 119.3° | 120.1° |
| O19 | C20 | C21 | O22 | 68.9° | 60.0° |
| O19 | C20 | C21 | H211 | 165.8° | 60.0° |
| O19 | C20 | C21 | H212 | 56.4° | 180.0° |
| C21 | C20 | H201 | H202 | 119.3° | 120.0° |
| C20 | C21 | O22 | H211 | 125.3° | 120.0° |
| C20 | C21 | O22 | H212 | 125.3° | 120.0° |
| C20 | C21 | H211 | H212 | 118.8° | 120.1° |
| C20 | C21 | O22 | C23 | 166.7° | 180.0° |
| H201 | C20 | C21 | O22 | 56.4° | 180.0° |
| H201 | C20 | C21 | H211 | 68.9° | 60.0° |
| H201 | C20 | C21 | H212 | 178.3° | 60.1° |
| H202 | C20 | C21 | O22 | 165.8° | 60.0° |
| H202 | C20 | C21 | H211 | 40.5° | 180.0° |
| H202 | C20 | C21 | H212 | 68.9° | 59.9° |
| O22 | C21 | H211 | H212 | 118.8° | 120.0° |
| C21 | O22 | C23 | C24 | 105.1° | 180.0° |
| C21 | O22 | C23 | H231 | 129.6° | 60.0° |
| C21 | O22 | C23 | H232 | 20.1° | 60.0° |
| H211 | C21 | O22 | C23 | 41.4° | 60.0° |
| H212 | C21 | O22 | C23 | 68.0° | 60.0° |
| O22 | C23 | C24 | H231 | 125.3° | 120.0° |
| O22 | C23 | C24 | H232 | 125.3° | 120.0° |
| O22 | C23 | H231 | H232 | 118.1° | 120.0° |
| O22 | C23 | C24 | O25 | 94.3° | 60.0° |
| O22 | C23 | C24 | H241 | 30.9° | 60.0° |
| O22 | C23 | C24 | H242 | 140.4° | 180.0° |
| C24 | C23 | H231 | H232 | 118.2° | 120.0° |
| C23 | C24 | O25 | H241 | 125.2° | 120.0° |
| C23 | C24 | O25 | H242 | 125.3° | 120.1° |
| C23 | C24 | H241 | H242 | 117.9° | 120.0° |
| C23 | C24 | O25 | C26 | 167.3° | 180.0° |
| H231 | C23 | C24 | O25 | 140.4° | 180.0° |
| H231 | C23 | C24 | H241 | 94.3° | 60.0° |
| H231 | C23 | C24 | H242 | 15.2° | 60.0° |
| H232 | C23 | C24 | O25 | 31.0° | 60.0° |
| H232 | C23 | C24 | H241 | 156.2° | 179.9° |
| H232 | C23 | C24 | H242 | 94.3° | 60.1° |
| O25 | C24 | H241 | H242 | 117.8° | 120.0° |
| C24 | O25 | C26 | C27 | 26.0° | 180.0° |
| C24 | O25 | C26 | H261 | 151.3° | 60.0° |
| C24 | O25 | C26 | H262 | 99.3° | 60.0° |
| H241 | C24 | O25 | C26 | 42.0° | 60.0° |
| H242 | C24 | O25 | C26 | 67.5° | 59.9° |
| O25 | C26 | C27 | H261 | 125.3° | 119.9° |
| O25 | C26 | C27 | H262 | 125.3° | 120.0° |
| O25 | C26 | H261 | H262 | 116.9° | 120.0° |
| O25 | C26 | C27 | O28 | 165.6° | 60.0° |
| O25 | C26 | C27 | H271 | 69.2° | 60.0° |
| O25 | C26 | C27 | H272 | 40.3° | 180.0° |
| C27 | C26 | H261 | H262 | 116.9° | 120.0° |
| C26 | C27 | O28 | H271 | 125.2° | 120.0° |
| C26 | C27 | O28 | H272 | 125.2° | 119.9° |
| C26 | C27 | H271 | H272 | 118.3° | 120.0° |
| C26 | C27 | O28 | C29 | 105.6° | 180.0° |
| H261 | C26 | C27 | O28 | 40.3° | 180.0° |
| H261 | C26 | C27 | H271 | 165.6° | 59.9° |
| H261 | C26 | C27 | H272 | 84.9° | 60.1° |
| H262 | C26 | C27 | O28 | 69.1° | 60.0° |
| H262 | C26 | C27 | H271 | 56.1° | 180.0° |
| H262 | C26 | C27 | H272 | 165.6° | 60.0° |
| O28 | C27 | H271 | H272 | 118.4° | 120.0° |
| C27 | O28 | C29 | C30 | 80.2° | 180.0° |
| C27 | O28 | C29 | H291 | 45.1° | 60.0° |
| C27 | O28 | C29 | H292 | 154.5° | 60.0° |
| H271 | C27 | O28 | C29 | 129.2° | 60.0° |
| H272 | C27 | O28 | C29 | 19.6° | 60.0° |
| O28 | C29 | C30 | H291 | 125.3° | 120.0° |
| O28 | C29 | C30 | H292 | 125.3° | 120.0° |
| O28 | C29 | H291 | H292 | 117.3° | 120.0° |
| O28 | C29 | C30 | O31 | 165.5° | 60.0° |
| O28 | C29 | C30 | H301 | 69.2° | 60.0° |
| O28 | C29 | C30 | H302 | 40.2° | 180.0° |
| C30 | C29 | H291 | H292 | 117.3° | 120.0° |
| C29 | C30 | O31 | H301 | 125.2° | 120.0° |
| C29 | C30 | O31 | H302 | 125.3° | 120.1° |
| C29 | C30 | H301 | H302 | 118.0° | 120.1° |
| C29 | C30 | O31 | H31 | 180.0° | 180.0° |
| H291 | C29 | C30 | O31 | 40.2° | 180.0° |
| H291 | C29 | C30 | H301 | 165.5° | 60.0° |
| H291 | C29 | C30 | H302 | 85.1° | 60.0° |
| H292 | C29 | C30 | O31 | 69.2° | 60.0° |
| H292 | C29 | C30 | H301 | 56.0° | 180.0° |
| H292 | C29 | C30 | H302 | 165.5° | 60.0° |
| O31 | C30 | H301 | H302 | 118.0° | 119.9° |
| H301 | C30 | O31 | H31 | 54.8° | 60.0° |
| H302 | C30 | O31 | H31 | 54.7° | 59.9° |
