GLD
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.53Å | 1.52Å | |
C1 | O1 | sing | 1.43Å | 1.41Å | |
C1 | O5 | sing | 1.43Å | 1.42Å | |
C1 | H1 | sing | 1.09Å | 1.11Å | |
C2 | C3 | sing | 1.53Å | 1.51Å | |
C2 | O2 | sing | 1.43Å | 1.42Å | |
C2 | H2 | sing | 1.09Å | 1.12Å | |
C3 | C4 | sing | 1.53Å | 1.52Å | |
C3 | O3 | sing | 1.43Å | 1.43Å | |
C3 | H3 | sing | 1.09Å | 1.12Å | |
C4 | C5 | sing | 1.53Å | 1.52Å | |
C4 | H4 | sing | 1.09Å | 1.12Å | |
C4 | H42 | sing | 1.09Å | 1.12Å | |
C5 | C6 | sing | 1.53Å | 1.50Å | |
C5 | O5 | sing | 1.42Å | 1.43Å | |
C5 | H5 | sing | 1.09Å | 1.12Å | |
C6 | H61 | sing | 1.09Å | 1.11Å | |
C6 | H62 | sing | 1.09Å | 1.12Å | |
C6 | H63 | sing | 1.09Å | 1.11Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | O1 | 110.7° | 109.5° |
C2 | C1 | O5 | 115.4° | 109.7° |
C2 | C1 | H1 | 105.4° | 109.4° |
C1 | C2 | C3 | 113.9° | 109.0° |
C1 | C2 | O2 | 109.3° | 109.6° |
C1 | C2 | H2 | 107.0° | 109.5° |
O1 | C1 | O5 | 112.6° | 109.4° |
O1 | C1 | H1 | 108.7° | 109.4° |
C1 | O1 | HO1 | 110.7° | 106.8° |
O5 | C1 | H1 | 103.2° | 109.4° |
C1 | O5 | C5 | 117.1° | 107.6° |
C3 | C2 | O2 | 110.6° | 109.6° |
C3 | C2 | H2 | 105.4° | 109.6° |
C2 | C3 | C4 | 110.6° | 108.7° |
C2 | C3 | O3 | 110.8° | 109.8° |
C2 | C3 | H3 | 107.0° | 109.6° |
O2 | C2 | H2 | 110.5° | 109.5° |
C2 | O2 | HO2 | 109.2° | 106.9° |
C4 | C3 | O3 | 106.9° | 109.6° |
C4 | C3 | H3 | 110.9° | 109.6° |
C3 | C4 | C5 | 109.5° | 109.0° |
C3 | C4 | H4 | 112.2° | 109.6° |
C3 | C4 | H42 | 112.2° | 109.5° |
O3 | C3 | H3 | 110.6° | 109.6° |
C3 | O3 | HO3 | 110.9° | 106.8° |
C5 | C4 | H4 | 112.2° | 109.6° |
C5 | C4 | H42 | 112.2° | 109.5° |
C4 | C5 | C6 | 111.4° | 109.4° |
C4 | C5 | O5 | 109.7° | 109.7° |
C4 | C5 | H5 | 107.2° | 109.4° |
H4 | C4 | H42 | 98.2° | 109.6° |
C6 | C5 | O5 | 107.0° | 109.4° |
C6 | C5 | H5 | 109.9° | 109.3° |
C5 | C6 | H61 | 111.4° | 109.5° |
C5 | C6 | H62 | 111.5° | 109.5° |
C5 | C6 | H63 | 111.5° | 109.5° |
O5 | C5 | H5 | 111.6° | 109.5° |
H61 | C6 | H62 | 111.5° | 109.5° |
H61 | C6 | H63 | 111.6° | 109.4° |
H62 | C6 | H63 | 98.9° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | O1 | O5 | 130.9° | 120.3° |
C2 | C1 | O1 | H1 | 115.4° | 119.9° |
C2 | C1 | O5 | H1 | 114.4° | 120.1° |
C1 | C2 | C3 | O2 | 123.5° | 119.9° |
C1 | C2 | C3 | H2 | 117.0° | 119.9° |
C1 | C2 | O2 | H2 | 117.5° | 120.2° |
C1 | C2 | C3 | C4 | 45.6° | 53.8° |
C1 | C2 | C3 | O3 | 163.9° | 173.6° |
C1 | C2 | C3 | H3 | 75.3° | 66.0° |
C2 | C1 | O5 | C5 | 42.9° | 67.7° |
C2 | C1 | O1 | HO1 | 180.0° | 180.0° |
C1 | C2 | O2 | HO2 | 180.0° | 60.4° |
O1 | C1 | O5 | H1 | 117.1° | 119.8° |
O1 | C1 | C2 | C3 | 91.7° | 58.8° |
O1 | C1 | C2 | O2 | 32.5° | 61.1° |
O1 | C1 | C2 | H2 | 152.2° | 178.7° |
O1 | C1 | O5 | C5 | 85.6° | 52.4° |
O5 | C1 | C2 | C3 | 37.7° | 61.3° |
O5 | C1 | C2 | O2 | 161.9° | 178.8° |
O5 | C1 | C2 | H2 | 78.4° | 58.6° |
C1 | O5 | C5 | C4 | 54.2° | 67.7° |
C1 | O5 | C5 | C6 | 175.2° | 172.2° |
C1 | O5 | C5 | H5 | 64.5° | 52.4° |
O5 | C1 | O1 | HO1 | 49.1° | 59.7° |
H1 | C1 | C2 | C3 | 150.8° | 178.6° |
H1 | C1 | C2 | O2 | 84.9° | 58.7° |
H1 | C1 | C2 | H2 | 34.8° | 61.5° |
H1 | C1 | O5 | C5 | 157.3° | 172.2° |
H1 | C1 | O1 | HO1 | 64.7° | 60.1° |
C3 | C2 | O2 | H2 | 116.4° | 120.2° |
C2 | C3 | C4 | O3 | 120.8° | 119.9° |
C2 | C3 | C4 | H3 | 118.6° | 119.8° |
C2 | C3 | O3 | H3 | 118.6° | 120.4° |
C2 | C3 | C4 | C5 | 57.2° | 53.7° |
C2 | C3 | C4 | H4 | 177.5° | 66.2° |
C2 | C3 | C4 | H42 | 68.1° | 173.5° |
C3 | C2 | O2 | HO2 | 53.8° | 180.0° |
C2 | C3 | O3 | HO3 | 180.0° | 60.7° |
O2 | C2 | C3 | C4 | 169.1° | 173.7° |
O2 | C2 | C3 | O3 | 72.5° | 66.5° |
O2 | C2 | C3 | H3 | 48.2° | 53.9° |
H2 | C2 | C3 | C4 | 71.5° | 66.1° |
H2 | C2 | C3 | O3 | 46.9° | 53.7° |
H2 | C2 | C3 | H3 | 167.7° | 174.1° |
H2 | C2 | O2 | HO2 | 62.5° | 59.8° |
C4 | C3 | O3 | H3 | 120.8° | 120.3° |
C3 | C4 | C5 | H4 | 125.3° | 119.9° |
C3 | C4 | C5 | H42 | 125.3° | 119.8° |
C3 | C4 | H4 | H42 | 118.1° | 120.2° |
C3 | C4 | C5 | C6 | 179.0° | 178.6° |
C3 | C4 | C5 | O5 | 60.7° | 61.3° |
C3 | C4 | C5 | H5 | 60.7° | 58.8° |
C4 | C3 | O3 | HO3 | 59.4° | 180.0° |
O3 | C3 | C4 | C5 | 178.0° | 173.7° |
O3 | C3 | C4 | H4 | 56.8° | 53.8° |
O3 | C3 | C4 | H42 | 52.7° | 66.5° |
H3 | C3 | C4 | C5 | 61.4° | 66.0° |
H3 | C3 | C4 | H4 | 63.9° | 174.1° |
H3 | C3 | C4 | H42 | 173.3° | 53.8° |
H3 | C3 | O3 | HO3 | 61.4° | 59.7° |
C5 | C4 | H4 | H42 | 118.1° | 120.3° |
C4 | C5 | C6 | O5 | 119.9° | 120.3° |
C4 | C5 | C6 | H5 | 118.7° | 119.8° |
C4 | C5 | O5 | H5 | 118.7° | 120.1° |
C4 | C5 | C6 | H61 | 179.9° | 179.9° |
C4 | C5 | C6 | H62 | 54.8° | 59.8° |
C4 | C5 | C6 | H63 | 54.7° | 60.1° |
H4 | C4 | C5 | C6 | 55.7° | 61.5° |
H4 | C4 | C5 | O5 | 174.0° | 58.6° |
H4 | C4 | C5 | H5 | 64.6° | 178.7° |
H42 | C4 | C5 | C6 | 53.7° | 58.8° |
H42 | C4 | C5 | O5 | 64.6° | 178.9° |
H42 | C4 | C5 | H5 | 174.0° | 61.0° |
C6 | C5 | O5 | H5 | 120.3° | 119.8° |
C5 | C6 | H61 | H62 | 125.2° | 120.1° |
C5 | C6 | H61 | H63 | 125.3° | 120.0° |
C5 | C6 | H62 | H63 | 117.4° | 120.0° |
O5 | C5 | C6 | H61 | 60.1° | 59.8° |
O5 | C5 | C6 | H62 | 174.7° | 179.9° |
O5 | C5 | C6 | H63 | 65.2° | 60.1° |
H5 | C5 | C6 | H61 | 61.3° | 60.1° |
H5 | C5 | C6 | H62 | 63.9° | 60.0° |
H5 | C5 | C6 | H63 | 173.4° | 180.0° |
H61 | C6 | H62 | H63 | 117.5° | 119.9° |