Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OGL | C1 | sing | 1.43Å | 1.45Å | |
OGL | HOG | sing | 0.97Å | 0.95Å | |
C1 | C2 | sing | 1.53Å | 1.54Å | |
C1 | O1 | sing | 1.43Å | 1.45Å | |
C1 | H1 | sing | 1.09Å | 1.11Å | |
C2 | C3 | sing | 1.53Å | 1.52Å | |
C2 | H21 | sing | 1.09Å | 1.11Å | |
C2 | H22 | sing | 1.09Å | 1.11Å | |
C3 | O3 | sing | 1.43Å | 1.42Å | |
C3 | C4 | sing | 1.53Å | 1.54Å | |
C3 | H3 | sing | 1.09Å | 1.11Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
C4 | O4 | sing | 1.43Å | 1.43Å | |
C4 | C5 | sing | 1.53Å | 1.55Å | |
C4 | H4 | sing | 1.09Å | 1.12Å | |
O4 | CME | sing | 1.43Å | 1.45Å | |
CME | H41 | sing | 1.09Å | 1.11Å | |
CME | H42 | sing | 1.09Å | 1.12Å | |
CME | H43 | sing | 1.09Å | 1.11Å | |
C5 | O1 | sing | 1.43Å | 1.44Å | |
C5 | C6 | sing | 1.53Å | 1.56Å | |
C5 | H5 | sing | 1.09Å | 1.12Å | |
C6 | H61 | sing | 1.09Å | 1.12Å | |
C6 | H62 | sing | 1.09Å | 1.12Å | |
C6 | H63 | sing | 1.09Å | 1.11Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C1 | OGL | HOG | 109.8° | 106.8° |
OGL | C1 | C2 | 109.8° | 109.4° |
OGL | C1 | O1 | 113.6° | 109.4° |
OGL | C1 | H1 | 106.3° | 109.4° |
C2 | C1 | O1 | 109.2° | 109.8° |
C2 | C1 | H1 | 110.9° | 109.5° |
C1 | C2 | C3 | 105.7° | 109.1° |
C1 | C2 | H21 | 113.6° | 109.5° |
C1 | C2 | H22 | 113.6° | 109.5° |
O1 | C1 | H1 | 106.9° | 109.4° |
C1 | O1 | C5 | 119.3° | 107.6° |
C3 | C2 | H21 | 113.6° | 109.6° |
C3 | C2 | H22 | 113.6° | 109.6° |
C2 | C3 | O3 | 105.3° | 109.6° |
C2 | C3 | C4 | 117.5° | 108.6° |
C2 | C3 | H3 | 106.0° | 109.6° |
H21 | C2 | H22 | 96.9° | 109.6° |
O3 | C3 | C4 | 106.1° | 109.8° |
O3 | C3 | H3 | 117.4° | 109.6° |
C3 | O3 | HO3 | 105.3° | 106.7° |
C4 | C3 | H3 | 105.1° | 109.7° |
C3 | C4 | O4 | 111.1° | 109.6° |
C3 | C4 | C5 | 107.3° | 109.1° |
C3 | C4 | H4 | 111.9° | 109.6° |
O4 | C4 | C5 | 114.7° | 109.6° |
O4 | C4 | H4 | 104.0° | 109.5° |
C4 | O4 | CME | 118.6° | 106.8° |
C5 | C4 | H4 | 107.9° | 109.5° |
C4 | C5 | O1 | 107.7° | 109.8° |
C4 | C5 | C6 | 104.1° | 109.5° |
C4 | C5 | H5 | 116.2° | 109.4° |
O4 | CME | H41 | 118.6° | 109.5° |
O4 | CME | H42 | 108.9° | 109.5° |
O4 | CME | H43 | 108.9° | 109.5° |
H41 | CME | H42 | 109.0° | 109.4° |
H41 | CME | H43 | 109.0° | 109.4° |
H42 | CME | H43 | 101.1° | 109.5° |
O1 | C5 | C6 | 115.2° | 109.3° |
O1 | C5 | H5 | 105.3° | 109.4° |
C6 | C5 | H5 | 108.8° | 109.4° |
C5 | C6 | H61 | 104.0° | 109.5° |
C5 | C6 | H62 | 114.2° | 109.5° |
C5 | C6 | H63 | 114.2° | 109.5° |
H61 | C6 | H62 | 114.3° | 109.5° |
H61 | C6 | H63 | 114.3° | 109.5° |
H62 | C6 | H63 | 96.3° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OGL | C1 | C2 | O1 | 125.2° | 120.1° |
OGL | C1 | C2 | H1 | 117.2° | 119.8° |
OGL | C1 | O1 | H1 | 116.9° | 119.8° |
OGL | C1 | C2 | C3 | 73.0° | 58.8° |
OGL | C1 | C2 | H21 | 52.3° | 61.1° |
OGL | C1 | C2 | H22 | 161.8° | 178.7° |
OGL | C1 | O1 | C5 | 61.6° | 52.5° |
HOG | OGL | C1 | C2 | 180.0° | 179.7° |
HOG | OGL | C1 | O1 | 57.3° | 60.0° |
HOG | OGL | C1 | H1 | 59.9° | 59.8° |
C2 | C1 | O1 | H1 | 120.1° | 120.2° |
C1 | C2 | C3 | H21 | 125.2° | 119.9° |
C1 | C2 | C3 | H22 | 125.2° | 119.9° |
C1 | C2 | H21 | H22 | 119.5° | 120.2° |
C1 | C2 | C3 | O3 | 173.5° | 173.6° |
C1 | C2 | C3 | C4 | 55.6° | 53.7° |
C1 | C2 | C3 | H3 | 61.4° | 66.1° |
C2 | C1 | O1 | C5 | 61.4° | 67.6° |
O1 | C1 | C2 | C3 | 52.3° | 61.2° |
O1 | C1 | C2 | H21 | 177.5° | 178.9° |
O1 | C1 | C2 | H22 | 73.0° | 58.7° |
C1 | O1 | C5 | C4 | 59.8° | 67.6° |
C1 | O1 | C5 | C6 | 175.3° | 172.3° |
C1 | O1 | C5 | H5 | 64.8° | 52.5° |
H1 | C1 | C2 | C3 | 169.8° | 178.6° |
H1 | C1 | C2 | H21 | 64.9° | 58.8° |
H1 | C1 | C2 | H22 | 44.6° | 61.4° |
H1 | C1 | O1 | C5 | 178.5° | 172.3° |
C3 | C2 | H21 | H22 | 119.6° | 120.2° |
C2 | C3 | O3 | C4 | 125.3° | 119.2° |
C2 | C3 | O3 | H3 | 117.6° | 120.3° |
C2 | C3 | C4 | H3 | 117.5° | 119.8° |
C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
C2 | C3 | C4 | O4 | 70.5° | 66.2° |
C2 | C3 | C4 | C5 | 55.7° | 53.7° |
C2 | C3 | C4 | H4 | 173.8° | 173.6° |
H21 | C2 | C3 | O3 | 61.3° | 66.5° |
H21 | C2 | C3 | C4 | 179.1° | 173.6° |
H21 | C2 | C3 | H3 | 63.8° | 53.8° |
H22 | C2 | C3 | O3 | 48.2° | 53.7° |
H22 | C2 | C3 | C4 | 69.6° | 66.2° |
H22 | C2 | C3 | H3 | 173.3° | 174.0° |
O3 | C3 | C4 | H3 | 125.1° | 120.4° |
O3 | C3 | C4 | O4 | 47.0° | 53.6° |
O3 | C3 | C4 | C5 | 173.1° | 173.5° |
O3 | C3 | C4 | H4 | 68.7° | 66.6° |
C4 | C3 | O3 | HO3 | 54.7° | 179.2° |
C3 | C4 | O4 | C5 | 121.9° | 119.6° |
C3 | C4 | O4 | H4 | 120.5° | 120.2° |
C3 | C4 | C5 | H4 | 120.7° | 119.9° |
C3 | C4 | O4 | CME | 106.5° | 90.2° |
C3 | C4 | C5 | O1 | 50.7° | 61.3° |
C3 | C4 | C5 | C6 | 173.4° | 178.7° |
C3 | C4 | C5 | H5 | 67.0° | 58.8° |
H3 | C3 | O3 | HO3 | 62.4° | 60.3° |
H3 | C3 | C4 | O4 | 172.0° | 174.0° |
H3 | C3 | C4 | C5 | 61.8° | 66.1° |
H3 | C3 | C4 | H4 | 56.3° | 53.8° |
O4 | C4 | C5 | H4 | 115.3° | 120.1° |
C4 | O4 | CME | H41 | 180.0° | 180.0° |
C4 | O4 | CME | H42 | 54.7° | 60.1° |
C4 | O4 | CME | H43 | 54.7° | 60.0° |
O4 | C4 | C5 | O1 | 73.2° | 58.6° |
O4 | C4 | C5 | C6 | 49.5° | 61.4° |
O4 | C4 | C5 | H5 | 169.1° | 178.7° |
C5 | C4 | O4 | CME | 131.6° | 150.2° |
C4 | C5 | O1 | C6 | 115.6° | 120.1° |
C4 | C5 | O1 | H5 | 124.5° | 120.1° |
C4 | C5 | C6 | H5 | 124.5° | 119.9° |
C4 | C5 | C6 | H61 | 180.0° | 180.0° |
C4 | C5 | C6 | H62 | 54.8° | 60.0° |
C4 | C5 | C6 | H63 | 54.7° | 60.0° |
H4 | C4 | O4 | CME | 14.0° | 30.0° |
H4 | C4 | C5 | O1 | 171.5° | 178.8° |
H4 | C4 | C5 | C6 | 65.8° | 58.7° |
H4 | C4 | C5 | H5 | 53.8° | 61.1° |
O4 | CME | H41 | H42 | 125.3° | 120.0° |
O4 | CME | H41 | H43 | 125.3° | 120.0° |
O4 | CME | H42 | H43 | 114.6° | 120.1° |
H41 | CME | H42 | H43 | 114.7° | 119.9° |
O1 | C5 | C6 | H5 | 117.9° | 119.8° |
O1 | C5 | C6 | H61 | 62.4° | 59.7° |
O1 | C5 | C6 | H62 | 172.4° | 179.7° |
O1 | C5 | C6 | H63 | 62.9° | 60.3° |
C5 | C6 | H61 | H62 | 125.2° | 120.0° |
C5 | C6 | H61 | H63 | 125.2° | 120.0° |
C5 | C6 | H62 | H63 | 120.1° | 120.0° |
H5 | C5 | C6 | H61 | 55.5° | 60.1° |
H5 | C5 | C6 | H62 | 69.7° | 59.9° |
H5 | C5 | C6 | H63 | 179.2° | 179.9° |
H61 | C6 | H62 | H63 | 120.2° | 120.0° |