MBG
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.53Å | 1.50Å | |
C1 | O1 | sing | 1.43Å | 1.42Å | |
C1 | O5 | sing | 1.43Å | 1.45Å | |
C1 | H1 | sing | 1.09Å | 1.11Å | |
C2 | C3 | sing | 1.53Å | 1.52Å | |
C2 | O2 | sing | 1.43Å | 1.42Å | |
C2 | H2 | sing | 1.09Å | 1.12Å | |
C3 | C4 | sing | 1.53Å | 1.56Å | |
C3 | O3 | sing | 1.43Å | 1.42Å | |
C3 | H3 | sing | 1.09Å | 1.12Å | |
C4 | C5 | sing | 1.53Å | 1.53Å | |
C4 | O4 | sing | 1.43Å | 1.41Å | |
C4 | H4 | sing | 1.09Å | 1.12Å | |
C5 | C6 | sing | 1.53Å | 1.51Å | |
C5 | O5 | sing | 1.43Å | 1.43Å | |
C5 | H5 | sing | 1.09Å | 1.12Å | |
C6 | O6 | sing | 1.43Å | 1.42Å | |
C6 | H61 | sing | 1.09Å | 1.12Å | |
C6 | H62 | sing | 1.09Å | 1.11Å | |
C7 | O1 | sing | 1.43Å | 1.42Å | |
C7 | H71 | sing | 1.09Å | 1.11Å | |
C7 | H72 | sing | 1.09Å | 1.12Å | |
C7 | H73 | sing | 1.09Å | 1.11Å | |
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 |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | O1 | 107.2° | 109.5° |
C2 | C1 | O5 | 110.7° | 109.8° |
C2 | C1 | H1 | 111.4° | 109.4° |
C1 | C2 | C3 | 107.7° | 109.0° |
C1 | C2 | O2 | 110.5° | 109.6° |
C1 | C2 | H2 | 111.0° | 109.6° |
O1 | C1 | O5 | 113.1° | 109.5° |
O1 | C1 | H1 | 109.0° | 109.4° |
C1 | O1 | C7 | 113.2° | 106.8° |
O5 | C1 | H1 | 105.4° | 109.4° |
C1 | O5 | C5 | 113.3° | 107.6° |
C3 | C2 | O2 | 112.4° | 109.6° |
C3 | C2 | H2 | 109.1° | 109.5° |
C2 | C3 | C4 | 113.0° | 108.7° |
C2 | C3 | O3 | 105.7° | 109.7° |
C2 | C3 | H3 | 109.3° | 109.6° |
O2 | C2 | H2 | 106.1° | 109.6° |
C2 | O2 | HO2 | 110.6° | 106.8° |
C4 | C3 | O3 | 108.4° | 109.6° |
C4 | C3 | H3 | 106.7° | 109.6° |
C3 | C4 | C5 | 110.2° | 109.0° |
C3 | C4 | O4 | 111.1° | 109.6° |
C3 | C4 | H4 | 108.0° | 109.6° |
O3 | C3 | H3 | 113.8° | 109.6° |
C3 | O3 | HO3 | 105.8° | 106.9° |
C5 | C4 | O4 | 109.8° | 109.5° |
C5 | C4 | H4 | 109.4° | 109.5° |
C4 | C5 | C6 | 116.7° | 109.4° |
C4 | C5 | O5 | 107.2° | 109.8° |
C4 | C5 | H5 | 106.2° | 109.4° |
O4 | C4 | H4 | 108.4° | 109.5° |
C4 | O4 | HO4 | 111.1° | 106.8° |
C6 | C5 | O5 | 109.7° | 109.4° |
C6 | C5 | H5 | 103.6° | 109.5° |
C5 | C6 | O6 | 108.3° | 109.5° |
C5 | C6 | H61 | 112.6° | 109.4° |
C5 | C6 | H62 | 112.6° | 109.5° |
O5 | C5 | H5 | 113.6° | 109.4° |
O6 | C6 | H61 | 112.7° | 109.5° |
O6 | C6 | H62 | 112.7° | 109.5° |
C6 | O6 | HO6 | 108.4° | 106.8° |
H61 | C6 | H62 | 97.8° | 109.5° |
O1 | C7 | H71 | 113.1° | 109.5° |
O1 | C7 | H72 | 110.8° | 109.5° |
O1 | C7 | H73 | 110.8° | 109.4° |
H71 | C7 | H72 | 110.9° | 109.4° |
H71 | C7 | H73 | 110.9° | 109.5° |
H72 | C7 | H73 | 99.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | O1 | O5 | 122.4° | 120.3° |
C2 | C1 | O1 | H1 | 120.8° | 119.8° |
C2 | C1 | O5 | H1 | 120.6° | 120.0° |
C1 | C2 | C3 | O2 | 122.0° | 119.9° |
C1 | C2 | C3 | H2 | 120.6° | 119.9° |
C1 | C2 | O2 | H2 | 120.5° | 120.3° |
C1 | C2 | C3 | C4 | 51.4° | 53.8° |
C1 | C2 | C3 | O3 | 169.8° | 173.6° |
C1 | C2 | C3 | H3 | 67.3° | 66.0° |
C2 | C1 | O5 | C5 | 66.9° | 67.6° |
C2 | C1 | O1 | C7 | 173.0° | 179.8° |
C1 | C2 | O2 | HO2 | 180.0° | 60.4° |
O1 | C1 | O5 | H1 | 119.0° | 119.8° |
O1 | C1 | C2 | C3 | 179.3° | 178.6° |
O1 | C1 | C2 | O2 | 56.2° | 58.7° |
O1 | C1 | C2 | H2 | 61.3° | 61.6° |
O1 | C1 | O5 | C5 | 172.8° | 172.2° |
C1 | O1 | C7 | H71 | 180.0° | 180.0° |
C1 | O1 | C7 | H72 | 54.7° | 60.1° |
C1 | O1 | C7 | H73 | 54.7° | 60.0° |
O5 | C1 | C2 | C3 | 56.8° | 61.3° |
O5 | C1 | C2 | O2 | 180.0° | 178.8° |
O5 | C1 | C2 | H2 | 62.5° | 58.6° |
C1 | O5 | C5 | C4 | 63.7° | 67.6° |
C1 | O5 | C5 | C6 | 168.7° | 172.4° |
C1 | O5 | C5 | H5 | 53.4° | 52.5° |
O5 | C1 | O1 | C7 | 64.7° | 59.9° |
H1 | C1 | C2 | C3 | 60.1° | 58.8° |
H1 | C1 | C2 | O2 | 63.0° | 61.1° |
H1 | C1 | C2 | H2 | 179.5° | 178.6° |
H1 | C1 | O5 | C5 | 53.7° | 52.4° |
H1 | C1 | O1 | C7 | 52.2° | 60.0° |
C3 | C2 | O2 | H2 | 119.2° | 120.2° |
C2 | C3 | C4 | O3 | 116.9° | 119.9° |
C2 | C3 | C4 | H3 | 120.2° | 119.8° |
C2 | C3 | O3 | H3 | 120.0° | 120.4° |
C2 | C3 | C4 | C5 | 51.7° | 53.7° |
C2 | C3 | C4 | O4 | 70.2° | 66.1° |
C2 | C3 | C4 | H4 | 171.1° | 173.6° |
C3 | C2 | O2 | HO2 | 59.6° | 179.9° |
C2 | C3 | O3 | HO3 | 179.9° | 60.8° |
O2 | C2 | C3 | C4 | 173.4° | 173.7° |
O2 | C2 | C3 | O3 | 68.2° | 66.5° |
O2 | C2 | C3 | H3 | 54.7° | 53.9° |
H2 | C2 | C3 | C4 | 69.3° | 66.1° |
H2 | C2 | C3 | O3 | 49.2° | 53.7° |
H2 | C2 | C3 | H3 | 172.1° | 174.1° |
H2 | C2 | O2 | HO2 | 59.5° | 59.9° |
C4 | C3 | O3 | H3 | 118.5° | 120.3° |
C3 | C4 | C5 | O4 | 122.6° | 120.0° |
C3 | C4 | C5 | H4 | 118.5° | 119.9° |
C3 | C4 | O4 | H4 | 118.5° | 120.3° |
C3 | C4 | C5 | C6 | 177.9° | 178.7° |
C3 | C4 | C5 | O5 | 54.5° | 61.2° |
C3 | C4 | C5 | H5 | 67.3° | 58.8° |
C4 | C3 | O3 | HO3 | 58.6° | 180.0° |
C3 | C4 | O4 | HO4 | 180.0° | 60.5° |
O3 | C3 | C4 | C5 | 168.5° | 173.6° |
O3 | C3 | C4 | O4 | 46.7° | 53.7° |
O3 | C3 | C4 | H4 | 72.1° | 66.5° |
H3 | C3 | C4 | C5 | 68.5° | 66.0° |
H3 | C3 | C4 | O4 | 169.6° | 174.1° |
H3 | C3 | C4 | H4 | 50.9° | 53.8° |
H3 | C3 | O3 | HO3 | 59.9° | 59.6° |
C5 | C4 | O4 | H4 | 119.4° | 120.1° |
C4 | C5 | C6 | O5 | 122.1° | 120.3° |
C4 | C5 | C6 | H5 | 116.2° | 119.9° |
C4 | C5 | O5 | H5 | 117.0° | 120.1° |
C4 | C5 | C6 | O6 | 176.5° | 179.7° |
C4 | C5 | C6 | H61 | 51.3° | 59.7° |
C4 | C5 | C6 | H62 | 58.1° | 60.3° |
C5 | C4 | O4 | HO4 | 57.9° | 179.9° |
O4 | C4 | C5 | C6 | 55.3° | 61.3° |
O4 | C4 | C5 | O5 | 68.1° | 58.7° |
O4 | C4 | C5 | H5 | 170.1° | 178.8° |
H4 | C4 | C5 | C6 | 63.5° | 58.8° |
H4 | C4 | C5 | O5 | 173.0° | 178.9° |
H4 | C4 | C5 | H5 | 51.2° | 61.1° |
H4 | C4 | O4 | HO4 | 61.5° | 59.8° |
C6 | C5 | O5 | H5 | 115.4° | 119.9° |
C5 | C6 | O6 | H61 | 125.2° | 119.9° |
C5 | C6 | O6 | H62 | 125.3° | 120.0° |
C5 | C6 | H61 | H62 | 118.5° | 120.0° |
C5 | C6 | O6 | HO6 | 180.0° | 179.9° |
O5 | C5 | C6 | O6 | 61.3° | 60.0° |
O5 | C5 | C6 | H61 | 173.4° | 180.0° |
O5 | C5 | C6 | H62 | 64.0° | 60.0° |
H5 | C5 | C6 | O6 | 60.3° | 59.8° |
H5 | C5 | C6 | H61 | 65.0° | 60.1° |
H5 | C5 | C6 | H62 | 174.4° | 179.9° |
O6 | C6 | H61 | H62 | 118.6° | 120.0° |
H61 | C6 | O6 | HO6 | 54.7° | 60.0° |
H62 | C6 | O6 | HO6 | 54.7° | 60.0° |
O1 | C7 | H71 | H72 | 125.2° | 120.0° |
O1 | C7 | H71 | H73 | 125.2° | 120.0° |
O1 | C7 | H72 | H73 | 116.7° | 120.0° |
H71 | C7 | H72 | H73 | 116.8° | 120.0° |