DLG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | O1 | sing | 1.43Å | 1.43Å | |
| C1 | O5 | sing | 1.42Å | 1.44Å | |
| C1 | H1 | sing | 1.09Å | 1.12Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | O2 | sing | 1.43Å | 1.44Å | |
| C2 | H2 | sing | 1.09Å | 1.12Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | H3 | sing | 1.09Å | 1.11Å | |
| C3 | H32 | sing | 1.09Å | 1.12Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | O4 | sing | 1.43Å | 1.42Å | |
| C4 | H4 | sing | 1.09Å | 1.12Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | O5 | sing | 1.43Å | 1.45Å | |
| C5 | H5 | sing | 1.09Å | 1.11Å | |
| C6 | O6 | sing | 1.43Å | 1.42Å | |
| C6 | H61 | sing | 1.09Å | 1.12Å | |
| C6 | H62 | sing | 1.09Å | 1.12Å | |
| O1 | C11 | sing | 1.43Å | 1.46Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C11 | C12 | sing | 1.53Å | 1.55Å | |
| C11 | H111 | sing | 1.09Å | 1.12Å | |
| C11 | H112 | sing | 1.09Å | 1.11Å | |
| C12 | C13 | sing | 1.53Å | 1.59Å | |
| C12 | H121 | sing | 1.09Å | 1.11Å | |
| C12 | H122 | sing | 1.09Å | 1.12Å | |
| C13 | C14 | sing | 1.53Å | 1.62Å | |
| C13 | H131 | sing | 1.09Å | 1.12Å | |
| C13 | H132 | sing | 1.09Å | 1.11Å | |
| C14 | C15 | sing | 1.53Å | 1.58Å | |
| C14 | H141 | sing | 1.09Å | 1.11Å | |
| C14 | H142 | sing | 1.09Å | 1.12Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C15 | H151 | sing | 1.09Å | 1.12Å | |
| C15 | H152 | sing | 1.09Å | 1.11Å | |
| C16 | H161 | sing | 1.09Å | 1.11Å | |
| C16 | H162 | sing | 1.09Å | 1.12Å | |
| C16 | H163 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O1 | 110.4° | 109.4° |
| C2 | C1 | O5 | 110.2° | 109.8° |
| C2 | C1 | H1 | 107.8° | 109.3° |
| C1 | C2 | C3 | 109.5° | 109.0° |
| C1 | C2 | O2 | 109.8° | 109.6° |
| C1 | C2 | H2 | 109.3° | 109.6° |
| O1 | C1 | O5 | 108.0° | 109.5° |
| O1 | C1 | H1 | 110.1° | 109.4° |
| C1 | O1 | C11 | 112.0° | 106.8° |
| O5 | C1 | H1 | 110.3° | 109.4° |
| C1 | O5 | C5 | 112.6° | 107.7° |
| C3 | C2 | O2 | 109.8° | 109.6° |
| C3 | C2 | H2 | 109.4° | 109.5° |
| C2 | C3 | C4 | 109.5° | 108.6° |
| C2 | C3 | H3 | 112.2° | 109.6° |
| C2 | C3 | H32 | 112.2° | 109.6° |
| O2 | C2 | H2 | 109.0° | 109.5° |
| C2 | O2 | HO2 | 109.8° | 106.8° |
| C4 | C3 | H3 | 112.2° | 109.6° |
| C4 | C3 | H32 | 112.2° | 109.6° |
| C3 | C4 | C5 | 109.9° | 109.1° |
| C3 | C4 | O4 | 109.3° | 109.6° |
| C3 | C4 | H4 | 109.3° | 109.5° |
| H3 | C3 | H32 | 98.2° | 109.8° |
| C5 | C4 | O4 | 109.5° | 109.6° |
| C5 | C4 | H4 | 109.1° | 109.6° |
| C4 | C5 | C6 | 112.5° | 109.4° |
| C4 | C5 | O5 | 109.9° | 109.8° |
| C4 | C5 | H5 | 106.3° | 109.4° |
| O4 | C4 | H4 | 109.7° | 109.5° |
| C4 | O4 | HO4 | 109.3° | 106.8° |
| C6 | C5 | O5 | 106.9° | 109.5° |
| C6 | C5 | H5 | 109.4° | 109.4° |
| C5 | C6 | O6 | 111.3° | 109.5° |
| C5 | C6 | H61 | 111.5° | 109.5° |
| C5 | C6 | H62 | 111.5° | 109.5° |
| O5 | C5 | H5 | 111.9° | 109.3° |
| O6 | C6 | H61 | 111.6° | 109.5° |
| O6 | C6 | H62 | 111.6° | 109.4° |
| C6 | O6 | HO6 | 111.2° | 106.8° |
| H61 | C6 | H62 | 98.8° | 109.5° |
| O1 | C11 | C12 | 99.7° | 109.5° |
| O1 | C11 | H111 | 116.0° | 109.5° |
| O1 | C11 | H112 | 115.9° | 109.4° |
| C12 | C11 | H111 | 116.0° | 109.5° |
| C12 | C11 | H112 | 116.0° | 109.4° |
| C11 | C12 | C13 | 116.2° | 109.5° |
| C11 | C12 | H121 | 109.8° | 109.5° |
| C11 | C12 | H122 | 109.7° | 109.4° |
| H111 | C11 | H112 | 94.5° | 109.5° |
| C13 | C12 | H121 | 109.8° | 109.5° |
| C13 | C12 | H122 | 109.8° | 109.4° |
| C12 | C13 | C14 | 114.9° | 109.6° |
| C12 | C13 | H131 | 110.2° | 109.5° |
| C12 | C13 | H132 | 110.2° | 109.4° |
| H121 | C12 | H122 | 100.3° | 109.4° |
| C14 | C13 | H131 | 110.2° | 109.4° |
| C14 | C13 | H132 | 110.3° | 109.4° |
| C13 | C14 | C15 | 120.9° | 109.6° |
| C13 | C14 | H141 | 108.1° | 109.4° |
| C13 | C14 | H142 | 108.1° | 109.4° |
| H131 | C13 | H132 | 100.1° | 109.4° |
| C15 | C14 | H141 | 108.2° | 109.5° |
| C15 | C14 | H142 | 108.2° | 109.5° |
| C14 | C15 | C16 | 115.4° | 109.5° |
| C14 | C15 | H151 | 110.0° | 109.5° |
| C14 | C15 | H152 | 110.0° | 109.5° |
| H141 | C14 | H142 | 101.8° | 109.4° |
| C16 | C15 | H151 | 110.0° | 109.5° |
| C16 | C15 | H152 | 110.1° | 109.4° |
| C15 | C16 | H161 | 115.4° | 109.5° |
| C15 | C16 | H162 | 110.0° | 109.4° |
| C15 | C16 | H163 | 110.0° | 109.5° |
| H151 | C15 | H152 | 100.2° | 109.5° |
| H161 | C16 | H162 | 110.1° | 109.4° |
| H161 | C16 | H163 | 110.0° | 109.5° |
| H162 | C16 | H163 | 100.1° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O1 | O5 | 120.5° | 120.3° |
| C2 | C1 | O1 | H1 | 119.0° | 119.7° |
| C2 | C1 | O5 | H1 | 119.0° | 120.0° |
| C1 | C2 | C3 | O2 | 120.7° | 119.9° |
| C1 | C2 | C3 | H2 | 119.7° | 119.9° |
| C1 | C2 | O2 | H2 | 119.7° | 120.3° |
| C1 | C2 | C3 | C4 | 55.3° | 53.7° |
| C1 | C2 | C3 | H3 | 69.9° | 173.5° |
| C1 | C2 | C3 | H32 | 179.4° | 65.9° |
| C2 | C1 | O5 | C5 | 61.2° | 67.6° |
| C2 | C1 | O1 | C11 | 150.7° | 179.9° |
| C1 | C2 | O2 | HO2 | 180.0° | 60.4° |
| O1 | C1 | O5 | H1 | 120.4° | 119.9° |
| O1 | C1 | C2 | C3 | 176.8° | 178.5° |
| O1 | C1 | C2 | O2 | 62.6° | 58.6° |
| O1 | C1 | C2 | H2 | 57.0° | 61.6° |
| O1 | C1 | O5 | C5 | 178.2° | 172.3° |
| C1 | O1 | C11 | C12 | 170.6° | 180.0° |
| C1 | O1 | C11 | H111 | 64.2° | 59.9° |
| C1 | O1 | C11 | H112 | 45.3° | 60.1° |
| O5 | C1 | C2 | C3 | 57.6° | 61.3° |
| O5 | C1 | C2 | O2 | 178.2° | 178.8° |
| O5 | C1 | C2 | H2 | 62.2° | 58.6° |
| C1 | O5 | C5 | C4 | 60.8° | 67.5° |
| C1 | O5 | C5 | C6 | 176.8° | 172.4° |
| C1 | O5 | C5 | H5 | 57.0° | 52.5° |
| O5 | C1 | O1 | C11 | 88.8° | 59.8° |
| H1 | C1 | C2 | C3 | 62.8° | 58.8° |
| H1 | C1 | C2 | O2 | 57.8° | 61.2° |
| H1 | C1 | C2 | H2 | 177.3° | 178.6° |
| H1 | C1 | O5 | C5 | 57.8° | 52.4° |
| H1 | C1 | O1 | C11 | 31.7° | 60.1° |
| C3 | C2 | O2 | H2 | 119.8° | 120.1° |
| C2 | C3 | C4 | H3 | 125.3° | 119.8° |
| C2 | C3 | C4 | H32 | 125.2° | 119.7° |
| C2 | C3 | H3 | H32 | 118.1° | 120.5° |
| C2 | C3 | C4 | C5 | 55.4° | 53.7° |
| C2 | C3 | C4 | O4 | 64.8° | 66.2° |
| C2 | C3 | C4 | H4 | 175.2° | 173.6° |
| C3 | C2 | O2 | HO2 | 59.6° | 180.0° |
| O2 | C2 | C3 | C4 | 176.0° | 173.7° |
| O2 | C2 | C3 | H3 | 50.7° | 66.6° |
| O2 | C2 | C3 | H32 | 58.8° | 54.0° |
| H2 | C2 | C3 | C4 | 64.4° | 66.2° |
| H2 | C2 | C3 | H3 | 170.3° | 53.6° |
| H2 | C2 | C3 | H32 | 60.8° | 174.1° |
| H2 | C2 | O2 | HO2 | 60.2° | 59.9° |
| C4 | C3 | H3 | H32 | 118.1° | 120.4° |
| C3 | C4 | C5 | O4 | 120.1° | 120.0° |
| C3 | C4 | C5 | H4 | 119.8° | 119.8° |
| C3 | C4 | O4 | H4 | 119.8° | 120.2° |
| C3 | C4 | C5 | C6 | 176.3° | 178.7° |
| C3 | C4 | C5 | O5 | 57.2° | 61.2° |
| C3 | C4 | C5 | H5 | 64.1° | 58.8° |
| C3 | C4 | O4 | HO4 | 180.0° | 60.4° |
| H3 | C3 | C4 | C5 | 69.9° | 173.5° |
| H3 | C3 | C4 | O4 | 169.9° | 53.5° |
| H3 | C3 | C4 | H4 | 49.9° | 66.6° |
| H32 | C3 | C4 | C5 | 179.3° | 66.0° |
| H32 | C3 | C4 | O4 | 60.5° | 174.1° |
| H32 | C3 | C4 | H4 | 59.6° | 53.9° |
| C5 | C4 | O4 | H4 | 119.7° | 120.2° |
| C4 | C5 | C6 | O5 | 120.8° | 120.4° |
| C4 | C5 | C6 | H5 | 117.8° | 119.8° |
| C4 | C5 | O5 | H5 | 117.8° | 120.0° |
| C4 | C5 | C6 | O6 | 162.4° | 179.7° |
| C4 | C5 | C6 | H61 | 37.1° | 59.7° |
| C4 | C5 | C6 | H62 | 72.4° | 60.3° |
| C5 | C4 | O4 | HO4 | 59.6° | 179.9° |
| O4 | C4 | C5 | C6 | 56.2° | 61.4° |
| O4 | C4 | C5 | O5 | 62.9° | 58.8° |
| O4 | C4 | C5 | H5 | 175.8° | 178.8° |
| H4 | C4 | C5 | C6 | 63.9° | 58.8° |
| H4 | C4 | C5 | O5 | 177.0° | 179.0° |
| H4 | C4 | C5 | H5 | 55.8° | 61.0° |
| H4 | C4 | O4 | HO4 | 60.2° | 59.7° |
| C6 | C5 | O5 | H5 | 119.8° | 119.9° |
| C5 | C6 | O6 | H61 | 125.3° | 120.0° |
| C5 | C6 | O6 | H62 | 125.2° | 120.0° |
| C5 | C6 | H61 | H62 | 117.4° | 120.0° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| O5 | C5 | C6 | O6 | 76.8° | 59.9° |
| O5 | C5 | C6 | H61 | 157.9° | 179.9° |
| O5 | C5 | C6 | H62 | 48.4° | 60.0° |
| H5 | C5 | C6 | O6 | 44.5° | 59.9° |
| H5 | C5 | C6 | H61 | 80.8° | 60.1° |
| H5 | C5 | C6 | H62 | 169.8° | 179.8° |
| O6 | C6 | H61 | H62 | 117.5° | 120.0° |
| H61 | C6 | O6 | HO6 | 54.8° | 59.9° |
| H62 | C6 | O6 | HO6 | 54.7° | 60.1° |
| O1 | C11 | C12 | H111 | 125.2° | 120.1° |
| O1 | C11 | C12 | H112 | 125.2° | 119.9° |
| O1 | C11 | H111 | H112 | 121.8° | 120.0° |
| O1 | C11 | C12 | C13 | 167.0° | 180.0° |
| O1 | C11 | C12 | H121 | 41.7° | 59.8° |
| O1 | C11 | C12 | H122 | 67.7° | 60.1° |
| C12 | C11 | H111 | H112 | 121.8° | 119.9° |
| C11 | C12 | C13 | H121 | 125.3° | 120.1° |
| C11 | C12 | C13 | H122 | 125.3° | 119.9° |
| C11 | C12 | H121 | H122 | 115.5° | 119.9° |
| C11 | C12 | C13 | C14 | 51.7° | 179.9° |
| C11 | C12 | C13 | H131 | 176.9° | 59.9° |
| C11 | C12 | C13 | H132 | 73.6° | 60.1° |
| H111 | C11 | C12 | C13 | 67.8° | 59.9° |
| H111 | C11 | C12 | H121 | 166.9° | 180.0° |
| H111 | C11 | C12 | H122 | 57.5° | 60.0° |
| H112 | C11 | C12 | C13 | 41.8° | 60.1° |
| H112 | C11 | C12 | H121 | 83.6° | 60.1° |
| H112 | C11 | C12 | H122 | 167.1° | 180.0° |
| C13 | C12 | H121 | H122 | 115.6° | 120.0° |
| C12 | C13 | C14 | H131 | 125.2° | 120.1° |
| C12 | C13 | C14 | H132 | 125.2° | 120.0° |
| C12 | C13 | H131 | H132 | 116.0° | 120.0° |
| C12 | C13 | C14 | C15 | 162.4° | 180.0° |
| C12 | C13 | C14 | H141 | 72.3° | 59.9° |
| C12 | C13 | C14 | H142 | 37.2° | 60.0° |
| H121 | C12 | C13 | C14 | 73.6° | 59.9° |
| H121 | C12 | C13 | H131 | 51.6° | 180.0° |
| H121 | C12 | C13 | H132 | 161.1° | 60.0° |
| H122 | C12 | C13 | C14 | 176.9° | 60.0° |
| H122 | C12 | C13 | H131 | 57.8° | 60.0° |
| H122 | C12 | C13 | H132 | 51.6° | 180.0° |
| C14 | C13 | H131 | H132 | 116.1° | 119.9° |
| C13 | C14 | C15 | H141 | 125.3° | 120.0° |
| C13 | C14 | C15 | H142 | 125.2° | 120.0° |
| C13 | C14 | H141 | H142 | 113.7° | 119.9° |
| C13 | C14 | C15 | C16 | 101.3° | 180.0° |
| C13 | C14 | C15 | H151 | 23.9° | 60.0° |
| C13 | C14 | C15 | H152 | 133.4° | 60.0° |
| H131 | C13 | C14 | C15 | 37.2° | 59.9° |
| H131 | C13 | C14 | H141 | 162.5° | 180.0° |
| H131 | C13 | C14 | H142 | 88.1° | 60.1° |
| H132 | C13 | C14 | C15 | 72.3° | 60.0° |
| H132 | C13 | C14 | H141 | 53.0° | 60.1° |
| H132 | C13 | C14 | H142 | 162.4° | 179.9° |
| C15 | C14 | H141 | H142 | 113.8° | 120.0° |
| C14 | C15 | C16 | H151 | 125.2° | 120.0° |
| C14 | C15 | C16 | H152 | 125.3° | 120.0° |
| C14 | C15 | H151 | H152 | 115.8° | 120.0° |
| C14 | C15 | C16 | H161 | 179.9° | 180.0° |
| C14 | C15 | C16 | H162 | 54.7° | 60.0° |
| C14 | C15 | C16 | H163 | 54.7° | 60.0° |
| H141 | C14 | C15 | C16 | 133.4° | 59.9° |
| H141 | C14 | C15 | H151 | 101.4° | 180.0° |
| H141 | C14 | C15 | H152 | 8.1° | 60.0° |
| H142 | C14 | C15 | C16 | 23.9° | 60.0° |
| H142 | C14 | C15 | H151 | 149.1° | 60.1° |
| H142 | C14 | C15 | H152 | 101.4° | 180.0° |
| C16 | C15 | H151 | H152 | 115.9° | 120.0° |
| C15 | C16 | H161 | H162 | 125.3° | 119.9° |
| C15 | C16 | H161 | H163 | 125.3° | 120.1° |
| C15 | C16 | H162 | H163 | 115.8° | 120.0° |
| H151 | C15 | C16 | H161 | 54.7° | 59.9° |
| H151 | C15 | C16 | H162 | 179.9° | 60.0° |
| H151 | C15 | C16 | H163 | 70.5° | 180.0° |
| H152 | C15 | C16 | H161 | 54.8° | 60.1° |
| H152 | C15 | C16 | H162 | 70.6° | 180.0° |
| H152 | C15 | C16 | H163 | 180.0° | 60.0° |
| H161 | C16 | H162 | H163 | 115.8° | 120.0° |
