GMH
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 | 1.42Å | |
C1 | O5 | sing | 1.43Å | 1.43Å | |
C1 | H1 | sing | 1.09Å | 1.12Å | |
C2 | C3 | sing | 1.53Å | 1.54Å | |
C2 | O2 | sing | 1.43Å | 1.42Å | |
C2 | H2 | sing | 1.09Å | 1.12Å | |
C3 | C4 | sing | 1.53Å | 1.54Å | |
C3 | O3 | sing | 1.43Å | 1.46Å | |
C3 | H3 | sing | 1.09Å | 1.12Å | |
C4 | C5 | sing | 1.53Å | 1.53Å | |
C4 | O4 | sing | 1.43Å | 1.45Å | |
C4 | H4 | sing | 1.09Å | 1.11Å | |
C5 | C6 | sing | 1.53Å | 1.53Å | |
C5 | O5 | sing | 1.43Å | 1.45Å | |
C5 | H5 | sing | 1.09Å | 1.12Å | |
C6 | C7 | sing | 1.53Å | 1.52Å | |
C6 | O6 | sing | 1.43Å | 1.42Å | |
C6 | H6 | sing | 1.09Å | 1.12Å | |
C7 | O7 | sing | 1.43Å | 1.42Å | |
C7 | H71 | sing | 1.09Å | 1.11Å | |
C7 | H72 | sing | 1.09Å | 1.12Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
O6 | HO6 | sing | 0.97Å | 0.95Å | |
O7 | HO7 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | O1 | 110.0° | 109.3° |
C2 | C1 | O5 | 109.1° | 109.8° |
C2 | C1 | H1 | 110.7° | 109.5° |
C1 | C2 | C3 | 108.7° | 109.1° |
C1 | C2 | O2 | 108.6° | 109.5° |
C1 | C2 | H2 | 110.8° | 109.5° |
O1 | C1 | O5 | 113.2° | 109.4° |
O1 | C1 | H1 | 106.3° | 109.4° |
C1 | O1 | HO1 | 110.1° | 106.8° |
O5 | C1 | H1 | 107.4° | 109.4° |
C1 | O5 | C5 | 114.2° | 107.7° |
C3 | C2 | O2 | 110.0° | 109.6° |
C3 | C2 | H2 | 109.3° | 109.6° |
C2 | C3 | C4 | 110.5° | 108.6° |
C2 | C3 | O3 | 115.3° | 109.6° |
C2 | C3 | H3 | 104.9° | 109.6° |
O2 | C2 | H2 | 109.5° | 109.5° |
C2 | O2 | HO2 | 108.6° | 106.8° |
C4 | C3 | O3 | 110.6° | 109.7° |
C4 | C3 | H3 | 110.3° | 109.7° |
C3 | C4 | C5 | 107.1° | 109.0° |
C3 | C4 | O4 | 109.9° | 109.6° |
C3 | C4 | H4 | 110.8° | 109.5° |
O3 | C3 | H3 | 104.8° | 109.6° |
C3 | O3 | HO3 | 115.4° | 106.8° |
C5 | C4 | O4 | 109.7° | 109.5° |
C5 | C4 | H4 | 111.1° | 109.6° |
C4 | C5 | C6 | 113.2° | 109.5° |
C4 | C5 | O5 | 110.0° | 109.8° |
C4 | C5 | H5 | 106.8° | 109.4° |
O4 | C4 | H4 | 108.3° | 109.6° |
C4 | O4 | HO4 | 110.0° | 106.8° |
C6 | C5 | O5 | 110.5° | 109.4° |
C6 | C5 | H5 | 106.4° | 109.4° |
C5 | C6 | C7 | 109.7° | 109.5° |
C5 | C6 | O6 | 110.3° | 109.5° |
C5 | C6 | H6 | 108.8° | 109.4° |
O5 | C5 | H5 | 109.8° | 109.3° |
C7 | C6 | O6 | 109.9° | 109.5° |
C7 | C6 | H6 | 109.3° | 109.4° |
C6 | C7 | O7 | 109.6° | 109.5° |
C6 | C7 | H71 | 112.1° | 109.5° |
C6 | C7 | H72 | 112.1° | 109.5° |
O6 | C6 | H6 | 108.7° | 109.5° |
C6 | O6 | HO6 | 110.3° | 106.8° |
O7 | C7 | H71 | 112.2° | 109.5° |
O7 | C7 | H72 | 112.2° | 109.5° |
C7 | O7 | HO7 | 109.6° | 106.8° |
H71 | C7 | H72 | 98.3° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | O1 | O5 | 122.3° | 120.2° |
C2 | C1 | O1 | H1 | 120.0° | 119.9° |
C2 | C1 | O5 | H1 | 120.1° | 120.2° |
C1 | C2 | C3 | O2 | 118.8° | 119.9° |
C1 | C2 | C3 | H2 | 121.0° | 119.9° |
C1 | C2 | O2 | H2 | 121.0° | 120.1° |
C1 | C2 | C3 | C4 | 57.5° | 53.7° |
C1 | C2 | C3 | O3 | 176.1° | 173.6° |
C1 | C2 | C3 | H3 | 61.4° | 66.1° |
C2 | C1 | O5 | C5 | 60.8° | 67.5° |
C2 | C1 | O1 | HO1 | 180.0° | 179.7° |
C1 | C2 | O2 | HO2 | 180.0° | 59.9° |
O1 | C1 | O5 | H1 | 117.1° | 119.8° |
O1 | C1 | C2 | C3 | 68.2° | 58.8° |
O1 | C1 | C2 | O2 | 172.1° | 178.8° |
O1 | C1 | C2 | H2 | 51.9° | 61.2° |
O1 | C1 | O5 | C5 | 62.0° | 52.5° |
O5 | C1 | C2 | C3 | 56.5° | 61.2° |
O5 | C1 | C2 | O2 | 63.1° | 58.8° |
O5 | C1 | C2 | H2 | 176.6° | 178.8° |
C1 | O5 | C5 | C4 | 62.6° | 67.6° |
C1 | O5 | C5 | C6 | 171.7° | 172.3° |
C1 | O5 | C5 | H5 | 54.7° | 52.5° |
O5 | C1 | O1 | HO1 | 57.7° | 60.0° |
H1 | C1 | C2 | C3 | 174.5° | 178.6° |
H1 | C1 | C2 | O2 | 54.9° | 61.4° |
H1 | C1 | C2 | H2 | 65.4° | 58.6° |
H1 | C1 | O5 | C5 | 179.1° | 172.3° |
H1 | C1 | O1 | HO1 | 60.0° | 59.8° |
C3 | C2 | O2 | H2 | 120.1° | 120.3° |
C2 | C3 | C4 | O3 | 129.0° | 119.8° |
C2 | C3 | C4 | H3 | 115.5° | 119.8° |
C2 | C3 | O3 | H3 | 114.8° | 120.3° |
C2 | C3 | C4 | C5 | 57.7° | 53.8° |
C2 | C3 | C4 | O4 | 176.8° | 173.7° |
C2 | C3 | C4 | H4 | 63.6° | 66.1° |
C3 | C2 | O2 | HO2 | 61.1° | 179.5° |
C2 | C3 | O3 | HO3 | 179.9° | 60.0° |
O2 | C2 | C3 | C4 | 61.3° | 66.2° |
O2 | C2 | C3 | O3 | 65.1° | 53.7° |
O2 | C2 | C3 | H3 | 179.9° | 174.0° |
H2 | C2 | C3 | C4 | 178.5° | 173.7° |
H2 | C2 | C3 | O3 | 55.1° | 66.4° |
H2 | C2 | C3 | H3 | 59.6° | 53.8° |
H2 | C2 | O2 | HO2 | 59.0° | 60.2° |
C4 | C3 | O3 | H3 | 118.8° | 120.5° |
C3 | C4 | C5 | O4 | 119.2° | 119.9° |
C3 | C4 | C5 | H4 | 121.1° | 119.9° |
C3 | C4 | O4 | H4 | 121.2° | 120.2° |
C3 | C4 | C5 | C6 | 177.6° | 178.6° |
C3 | C4 | C5 | O5 | 58.3° | 61.3° |
C3 | C4 | C5 | H5 | 60.9° | 58.7° |
C4 | C3 | O3 | HO3 | 53.7° | 179.2° |
C3 | C4 | O4 | HO4 | 180.0° | 60.0° |
O3 | C3 | C4 | C5 | 173.3° | 173.6° |
O3 | C3 | C4 | O4 | 54.2° | 66.5° |
O3 | C3 | C4 | H4 | 65.4° | 53.7° |
H3 | C3 | C4 | C5 | 57.8° | 66.0° |
H3 | C3 | C4 | O4 | 61.2° | 53.9° |
H3 | C3 | C4 | H4 | 179.1° | 174.1° |
H3 | C3 | O3 | HO3 | 65.1° | 60.3° |
C5 | C4 | O4 | H4 | 121.4° | 120.3° |
C4 | C5 | C6 | O5 | 123.9° | 120.3° |
C4 | C5 | C6 | H5 | 117.0° | 119.9° |
C4 | C5 | O5 | H5 | 117.3° | 120.0° |
C4 | C5 | C6 | C7 | 164.8° | 179.8° |
C4 | C5 | C6 | O6 | 74.0° | 60.1° |
C4 | C5 | C6 | H6 | 45.2° | 59.8° |
C5 | C4 | O4 | HO4 | 62.6° | 179.5° |
O4 | C4 | C5 | C6 | 58.4° | 58.7° |
O4 | C4 | C5 | O5 | 177.5° | 178.8° |
O4 | C4 | C5 | H5 | 58.4° | 61.2° |
H4 | C4 | C5 | C6 | 61.3° | 61.5° |
H4 | C4 | C5 | O5 | 62.8° | 58.6° |
H4 | C4 | C5 | H5 | 178.0° | 178.6° |
H4 | C4 | O4 | HO4 | 58.8° | 60.2° |
C6 | C5 | O5 | H5 | 117.0° | 119.8° |
C5 | C6 | C7 | O6 | 121.5° | 120.1° |
C5 | C6 | C7 | H6 | 119.3° | 119.9° |
C5 | C6 | O6 | H6 | 119.3° | 119.9° |
C5 | C6 | C7 | O7 | 173.5° | 180.0° |
C5 | C6 | C7 | H71 | 48.2° | 60.0° |
C5 | C6 | C7 | H72 | 61.2° | 60.0° |
C5 | C6 | O6 | HO6 | 180.0° | 60.1° |
O5 | C5 | C6 | C7 | 71.4° | 59.8° |
O5 | C5 | C6 | O6 | 49.9° | 60.2° |
O5 | C5 | C6 | H6 | 169.1° | 179.8° |
H5 | C5 | C6 | C7 | 47.8° | 59.9° |
H5 | C5 | C6 | O6 | 169.0° | 180.0° |
H5 | C5 | C6 | H6 | 71.8° | 60.1° |
C7 | C6 | O6 | H6 | 119.6° | 120.0° |
C6 | C7 | O7 | H71 | 125.3° | 120.0° |
C6 | C7 | O7 | H72 | 125.3° | 120.0° |
C6 | C7 | H71 | H72 | 118.0° | 120.0° |
C7 | C6 | O6 | HO6 | 58.8° | 60.0° |
C6 | C7 | O7 | HO7 | 180.0° | 180.0° |
O6 | C6 | C7 | O7 | 52.0° | 59.9° |
O6 | C6 | C7 | H71 | 73.3° | 180.0° |
O6 | C6 | C7 | H72 | 177.3° | 60.0° |
H6 | C6 | C7 | O7 | 67.3° | 60.1° |
H6 | C6 | C7 | H71 | 167.4° | 60.0° |
H6 | C6 | C7 | H72 | 58.0° | 180.0° |
H6 | C6 | O6 | HO6 | 60.7° | 180.0° |
O7 | C7 | H71 | H72 | 118.1° | 120.0° |
H71 | C7 | O7 | HO7 | 54.8° | 60.0° |
H72 | C7 | O7 | HO7 | 54.7° | 60.0° |