Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O7 | C8 | sing | 1.43Å | 1.42Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C9 | O10 | sing | 1.43Å | 1.44Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| O10 | C11 | sing | 1.43Å | 1.42Å | |
| C11 | C12 | sing | 1.53Å | 1.51Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | O13 | sing | 1.43Å | 1.42Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| O13 | C14 | sing | 1.43Å | 1.40Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C15 | O16 | sing | 1.43Å | 1.44Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| O16 | C17 | sing | 1.43Å | 1.43Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C18 | O19 | sing | 1.43Å | 1.42Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| O19 | C20 | sing | 1.43Å | 1.43Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C21 | O22 | sing | 1.43Å | 1.42Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| O22 | C23 | sing | 1.43Å | 1.42Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C24 | O25 | sing | 1.43Å | 1.43Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| O25 | HO25 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | O7 | HO7 | 109.5° | 114.0° |
| O7 | C8 | C9 | 107.4° | 109.5° |
| O7 | C8 | H81 | 110.2° | 109.4° |
| O7 | C8 | H82 | 110.1° | 109.5° |
| C9 | C8 | H81 | 110.2° | 109.5° |
| C9 | C8 | H82 | 110.2° | 109.5° |
| C8 | C9 | O10 | 105.0° | 109.5° |
| C8 | C9 | H91 | 111.0° | 109.5° |
| C8 | C9 | H92 | 111.0° | 109.4° |
| H81 | C8 | H82 | 108.8° | 109.5° |
| O10 | C9 | H91 | 111.0° | 109.5° |
| O10 | C9 | H92 | 110.9° | 109.4° |
| C9 | O10 | C11 | 115.8° | 114.0° |
| H91 | C9 | H92 | 108.0° | 109.5° |
| O10 | C11 | C12 | 108.0° | 109.4° |
| O10 | C11 | H111 | 109.9° | 109.5° |
| O10 | C11 | H112 | 109.9° | 109.4° |
| C12 | C11 | H111 | 110.0° | 109.5° |
| C12 | C11 | H112 | 109.9° | 109.5° |
| C11 | C12 | O13 | 112.0° | 109.5° |
| C11 | C12 | H121 | 108.6° | 109.4° |
| C11 | C12 | H122 | 108.6° | 109.5° |
| H111 | C11 | H112 | 109.0° | 109.5° |
| O13 | C12 | H121 | 108.6° | 109.4° |
| O13 | C12 | H122 | 108.6° | 109.5° |
| C12 | O13 | C14 | 112.5° | 114.0° |
| H121 | C12 | H122 | 110.3° | 109.5° |
| O13 | C14 | C15 | 112.1° | 109.5° |
| O13 | C14 | H141 | 108.6° | 109.4° |
| O13 | C14 | H142 | 108.6° | 109.5° |
| C15 | C14 | H141 | 108.6° | 109.4° |
| C15 | C14 | H142 | 108.6° | 109.5° |
| C14 | C15 | O16 | 105.5° | 109.5° |
| C14 | C15 | H151 | 110.8° | 109.5° |
| C14 | C15 | H152 | 110.8° | 109.5° |
| H141 | C14 | H142 | 110.4° | 109.5° |
| O16 | C15 | H151 | 110.8° | 109.5° |
| O16 | C15 | H152 | 110.8° | 109.5° |
| C15 | O16 | C17 | 116.8° | 114.0° |
| H151 | C15 | H152 | 108.1° | 109.4° |
| O16 | C17 | C18 | 113.0° | 109.5° |
| O16 | C17 | H171 | 108.3° | 109.4° |
| O16 | C17 | H172 | 108.3° | 109.5° |
| C18 | C17 | H171 | 108.3° | 109.5° |
| C18 | C17 | H172 | 108.3° | 109.5° |
| C17 | C18 | O19 | 113.7° | 109.5° |
| C17 | C18 | H181 | 108.1° | 109.5° |
| C17 | C18 | H182 | 108.1° | 109.4° |
| H171 | C17 | H172 | 110.6° | 109.4° |
| O19 | C18 | H181 | 108.1° | 109.5° |
| O19 | C18 | H182 | 108.1° | 109.4° |
| C18 | O19 | C20 | 117.8° | 114.0° |
| H181 | C18 | H182 | 110.8° | 109.5° |
| O19 | C20 | C21 | 107.3° | 109.5° |
| O19 | C20 | H201 | 110.2° | 109.4° |
| O19 | C20 | H202 | 110.2° | 109.4° |
| C21 | C20 | H201 | 110.2° | 109.5° |
| C21 | C20 | H202 | 110.2° | 109.5° |
| C20 | C21 | O22 | 108.8° | 109.5° |
| C20 | C21 | H211 | 109.7° | 109.5° |
| C20 | C21 | H212 | 109.7° | 109.5° |
| H201 | C20 | H202 | 108.8° | 109.5° |
| O22 | C21 | H211 | 109.7° | 109.4° |
| O22 | C21 | H212 | 109.7° | 109.4° |
| C21 | O22 | C23 | 112.2° | 114.0° |
| H211 | C21 | H212 | 109.2° | 109.5° |
| O22 | C23 | C24 | 108.6° | 109.5° |
| O22 | C23 | H231 | 109.8° | 109.5° |
| O22 | C23 | H232 | 109.8° | 109.5° |
| C24 | C23 | H231 | 109.7° | 109.4° |
| C24 | C23 | H232 | 109.7° | 109.5° |
| C23 | C24 | O25 | 114.9° | 109.5° |
| C23 | C24 | H241 | 107.7° | 109.5° |
| C23 | C24 | H242 | 107.7° | 109.5° |
| H231 | C23 | H232 | 109.2° | 109.5° |
| O25 | C24 | H241 | 107.7° | 109.5° |
| O25 | C24 | H242 | 107.7° | 109.5° |
| C24 | O25 | HO25 | 109.5° | 114.0° |
| H241 | C24 | H242 | 111.2° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O7 | C8 | C9 | H81 | 120.0° | 120.0° |
| O7 | C8 | C9 | H82 | 120.0° | 120.0° |
| O7 | C8 | H81 | H82 | 120.8° | 120.0° |
| O7 | C8 | C9 | O10 | 92.4° | 64.9° |
| O7 | C8 | C9 | H91 | 147.6° | 175.0° |
| O7 | C8 | C9 | H92 | 27.6° | 55.0° |
| HO7 | O7 | C8 | C9 | 180.0° | 180.0° |
| HO7 | O7 | C8 | H81 | 60.0° | 60.0° |
| HO7 | O7 | C8 | H82 | 60.0° | 59.9° |
| C9 | C8 | H81 | H82 | 120.9° | 120.0° |
| C8 | C9 | O10 | H91 | 120.0° | 120.1° |
| C8 | C9 | O10 | H92 | 120.0° | 119.9° |
| C8 | C9 | H91 | H92 | 121.8° | 120.0° |
| C8 | C9 | O10 | C11 | 166.9° | 180.0° |
| H81 | C8 | C9 | O10 | 27.6° | 55.1° |
| H81 | C8 | C9 | H91 | 92.4° | 65.0° |
| H81 | C8 | C9 | H92 | 147.6° | 175.0° |
| H82 | C8 | C9 | O10 | 147.7° | 175.1° |
| H82 | C8 | C9 | H91 | 27.7° | 54.9° |
| H82 | C8 | C9 | H92 | 92.4° | 65.0° |
| O10 | C9 | H91 | H92 | 121.8° | 119.9° |
| C9 | O10 | C11 | C12 | 113.5° | 180.0° |
| C9 | O10 | C11 | H111 | 6.5° | 59.9° |
| C9 | O10 | C11 | H112 | 126.5° | 60.1° |
| H91 | C9 | O10 | C11 | 46.9° | 59.9° |
| H92 | C9 | O10 | C11 | 73.1° | 60.1° |
| O10 | C11 | C12 | H111 | 120.0° | 120.0° |
| O10 | C11 | C12 | H112 | 120.0° | 119.9° |
| O10 | C11 | H111 | H112 | 120.6° | 120.0° |
| O10 | C11 | C12 | O13 | 103.8° | 65.1° |
| O10 | C11 | C12 | H121 | 16.2° | 175.0° |
| O10 | C11 | C12 | H122 | 136.2° | 55.0° |
| C12 | C11 | H111 | H112 | 120.6° | 120.1° |
| C11 | C12 | O13 | H121 | 120.0° | 120.0° |
| C11 | C12 | O13 | H122 | 120.0° | 120.1° |
| C11 | C12 | H121 | H122 | 119.0° | 120.0° |
| C11 | C12 | O13 | C14 | 67.0° | 180.0° |
| H111 | C11 | C12 | O13 | 136.2° | 54.9° |
| H111 | C11 | C12 | H121 | 103.8° | 65.0° |
| H111 | C11 | C12 | H122 | 16.2° | 175.0° |
| H112 | C11 | C12 | O13 | 16.2° | 175.0° |
| H112 | C11 | C12 | H121 | 136.2° | 55.0° |
| H112 | C11 | C12 | H122 | 103.8° | 65.0° |
| O13 | C12 | H121 | H122 | 119.0° | 120.0° |
| C12 | O13 | C14 | C15 | 168.4° | 180.0° |
| C12 | O13 | C14 | H141 | 71.7° | 60.0° |
| C12 | O13 | C14 | H142 | 48.4° | 59.9° |
| H121 | C12 | O13 | C14 | 53.0° | 60.0° |
| H122 | C12 | O13 | C14 | 173.0° | 59.9° |
| O13 | C14 | C15 | H141 | 120.0° | 120.0° |
| O13 | C14 | C15 | H142 | 120.0° | 120.1° |
| O13 | C14 | H141 | H142 | 118.9° | 120.0° |
| O13 | C14 | C15 | O16 | 155.6° | 65.0° |
| O13 | C14 | C15 | H151 | 84.4° | 175.0° |
| O13 | C14 | C15 | H152 | 35.6° | 55.0° |
| C15 | C14 | H141 | H142 | 118.9° | 120.0° |
| C14 | C15 | O16 | H151 | 120.0° | 120.1° |
| C14 | C15 | O16 | H152 | 120.0° | 120.0° |
| C14 | C15 | H151 | H152 | 121.6° | 120.0° |
| C14 | C15 | O16 | C17 | 123.8° | 180.0° |
| H141 | C14 | C15 | O16 | 35.6° | 55.0° |
| H141 | C14 | C15 | H151 | 155.6° | 65.1° |
| H141 | C14 | C15 | H152 | 84.4° | 175.0° |
| H142 | C14 | C15 | O16 | 84.4° | 175.0° |
| H142 | C14 | C15 | H151 | 35.6° | 54.9° |
| H142 | C14 | C15 | H152 | 155.6° | 65.0° |
| O16 | C15 | H151 | H152 | 121.6° | 120.0° |
| C15 | O16 | C17 | C18 | 158.6° | 180.0° |
| C15 | O16 | C17 | H171 | 81.4° | 60.0° |
| C15 | O16 | C17 | H172 | 38.6° | 60.0° |
| H151 | C15 | O16 | C17 | 116.2° | 60.0° |
| H152 | C15 | O16 | C17 | 3.8° | 60.0° |
| O16 | C17 | C18 | H171 | 120.0° | 120.0° |
| O16 | C17 | C18 | H172 | 120.0° | 120.1° |
| O16 | C17 | H171 | H172 | 118.6° | 120.0° |
| O16 | C17 | C18 | O19 | 62.1° | 64.9° |
| O16 | C17 | C18 | H181 | 177.9° | 175.0° |
| O16 | C17 | C18 | H182 | 57.9° | 55.0° |
| C18 | C17 | H171 | H172 | 118.6° | 120.0° |
| C17 | C18 | O19 | H181 | 120.0° | 120.1° |
| C17 | C18 | O19 | H182 | 120.0° | 119.9° |
| C17 | C18 | H181 | H182 | 118.2° | 120.0° |
| C17 | C18 | O19 | C20 | 87.6° | 180.0° |
| H171 | C17 | C18 | O19 | 57.9° | 55.1° |
| H171 | C17 | C18 | H181 | 62.1° | 65.0° |
| H171 | C17 | C18 | H182 | 177.9° | 175.0° |
| H172 | C17 | C18 | O19 | 178.0° | 175.0° |
| H172 | C17 | C18 | H181 | 58.0° | 54.9° |
| H172 | C17 | C18 | H182 | 62.0° | 65.1° |
| O19 | C18 | H181 | H182 | 118.3° | 120.0° |
| C18 | O19 | C20 | C21 | 140.7° | 180.0° |
| C18 | O19 | C20 | H201 | 99.3° | 59.9° |
| C18 | O19 | C20 | H202 | 20.7° | 60.1° |
| H181 | C18 | O19 | C20 | 32.4° | 59.9° |
| H182 | C18 | O19 | C20 | 152.4° | 60.1° |
| O19 | C20 | C21 | H201 | 120.0° | 120.0° |
| O19 | C20 | C21 | H202 | 120.0° | 120.0° |
| O19 | C20 | H201 | H202 | 120.9° | 119.9° |
| O19 | C20 | C21 | O22 | 60.6° | 65.0° |
| O19 | C20 | C21 | H211 | 59.4° | 175.0° |
| O19 | C20 | C21 | H212 | 179.4° | 55.0° |
| C21 | C20 | H201 | H202 | 120.9° | 120.0° |
| C20 | C21 | O22 | H211 | 120.0° | 120.0° |
| C20 | C21 | O22 | H212 | 120.0° | 120.0° |
| C20 | C21 | H211 | H212 | 120.2° | 120.0° |
| C20 | C21 | O22 | C23 | 176.1° | 180.0° |
| H201 | C20 | C21 | O22 | 179.4° | 55.0° |
| H201 | C20 | C21 | H211 | 60.6° | 65.0° |
| H201 | C20 | C21 | H212 | 59.4° | 175.0° |
| H202 | C20 | C21 | O22 | 59.4° | 175.0° |
| H202 | C20 | C21 | H211 | 179.4° | 55.0° |
| H202 | C20 | C21 | H212 | 60.6° | 65.0° |
| O22 | C21 | H211 | H212 | 120.3° | 119.9° |
| C21 | O22 | C23 | C24 | 144.2° | 180.0° |
| C21 | O22 | C23 | H231 | 24.1° | 60.0° |
| C21 | O22 | C23 | H232 | 95.9° | 60.0° |
| H211 | C21 | O22 | C23 | 56.1° | 60.0° |
| H212 | C21 | O22 | C23 | 63.9° | 60.0° |
| O22 | C23 | C24 | H231 | 120.0° | 120.0° |
| O22 | C23 | C24 | H232 | 120.0° | 120.0° |
| O22 | C23 | H231 | H232 | 120.4° | 120.0° |
| O22 | C23 | C24 | O25 | 70.8° | 65.0° |
| O22 | C23 | C24 | H241 | 49.2° | 175.0° |
| O22 | C23 | C24 | H242 | 169.2° | 55.0° |
| C24 | C23 | H231 | H232 | 120.3° | 120.0° |
| C23 | C24 | O25 | H241 | 120.0° | 120.0° |
| C23 | C24 | O25 | H242 | 120.0° | 120.0° |
| C23 | C24 | H241 | H242 | 117.8° | 120.0° |
| C23 | C24 | O25 | HO25 | 180.0° | 180.0° |
| H231 | C23 | C24 | O25 | 169.2° | 55.0° |
| H231 | C23 | C24 | H241 | 70.8° | 65.0° |
| H231 | C23 | C24 | H242 | 49.2° | 175.0° |
| H232 | C23 | C24 | O25 | 49.2° | 175.0° |
| H232 | C23 | C24 | H241 | 169.2° | 55.0° |
| H232 | C23 | C24 | H242 | 70.8° | 65.0° |
| O25 | C24 | H241 | H242 | 117.8° | 120.0° |
| H241 | C24 | O25 | HO25 | 60.0° | 60.0° |
| H242 | C24 | O25 | HO25 | 60.0° | 60.0° |






