3MG
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C7 | O3 | sing | 1.43Å | 1.44Å | |
O3 | C3 | sing | 1.43Å | 1.43Å | |
O2 | C2 | sing | 1.43Å | 1.43Å | |
C3 | C2 | sing | 1.53Å | 1.53Å | |
C3 | C4 | sing | 1.53Å | 1.53Å | |
O4 | C4 | sing | 1.43Å | 1.44Å | |
C2 | C1 | sing | 1.53Å | 1.53Å | |
C4 | C5 | sing | 1.53Å | 1.53Å | |
C1 | O1 | sing | 1.43Å | 1.44Å | |
C1 | O5 | sing | 1.43Å | 1.43Å | |
C5 | O5 | sing | 1.43Å | 1.43Å | |
C5 | C6 | sing | 1.53Å | 1.52Å | |
O6 | C6 | sing | 1.43Å | 1.42Å | |
O6 | HO6 | sing | 0.97Å | 0.95Å | |
C6 | H61 | sing | 1.09Å | 1.10Å | |
C6 | H62 | sing | 1.09Å | 1.10Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C7 | H71 | sing | 1.09Å | 1.10Å | |
C7 | H72 | sing | 1.09Å | 1.10Å | |
C7 | H73 | sing | 1.09Å | 1.10Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C7 | O3 | C3 | 112.2° | 114.0° |
O3 | C7 | H71 | 109.5° | 109.5° |
O3 | C7 | H72 | 109.5° | 109.4° |
O3 | C7 | H73 | 109.5° | 109.5° |
O3 | C3 | C2 | 111.1° | 109.5° |
O3 | C3 | C4 | 111.1° | 109.5° |
O3 | C3 | H3 | 107.4° | 109.6° |
O2 | C2 | C3 | 109.6° | 109.5° |
O2 | C2 | C1 | 110.8° | 109.5° |
O2 | C2 | H2 | 108.4° | 109.6° |
C2 | O2 | HO2 | 109.5° | 114.0° |
C2 | C3 | C4 | 110.0° | 109.0° |
C3 | C2 | C1 | 109.1° | 109.2° |
C2 | C3 | H3 | 108.6° | 109.5° |
C3 | C2 | H2 | 110.1° | 109.6° |
C3 | C4 | O4 | 111.9° | 109.5° |
C3 | C4 | C5 | 109.6° | 109.2° |
C3 | C4 | H4 | 107.8° | 109.6° |
C4 | C3 | H3 | 108.6° | 109.6° |
O4 | C4 | C5 | 109.7° | 109.5° |
O4 | C4 | H4 | 107.6° | 109.5° |
C4 | O4 | HO4 | 109.5° | 114.0° |
C2 | C1 | O1 | 112.4° | 109.5° |
C2 | C1 | O5 | 109.7° | 109.4° |
C1 | C2 | H2 | 108.9° | 109.5° |
C2 | C1 | H1 | 107.1° | 109.5° |
C4 | C5 | O5 | 111.7° | 109.4° |
C4 | C5 | C6 | 109.2° | 109.5° |
C4 | C5 | H5 | 107.6° | 109.5° |
C5 | C4 | H4 | 110.1° | 109.6° |
O1 | C1 | O5 | 108.5° | 109.5° |
O1 | C1 | H1 | 108.2° | 109.5° |
C1 | O1 | HO1 | 109.5° | 114.0° |
C1 | O5 | C5 | 114.7° | 114.1° |
O5 | C1 | H1 | 111.0° | 109.5° |
O5 | C5 | C6 | 107.7° | 109.5° |
O5 | C5 | H5 | 109.1° | 109.5° |
C5 | C6 | O6 | 109.2° | 109.5° |
C5 | C6 | H61 | 109.5° | 109.5° |
C5 | C6 | H62 | 109.6° | 109.5° |
C6 | C5 | H5 | 111.6° | 109.5° |
C6 | O6 | HO6 | 109.5° | 114.0° |
O6 | C6 | H61 | 109.6° | 109.5° |
O6 | C6 | H62 | 109.6° | 109.5° |
H61 | C6 | H62 | 109.3° | 109.4° |
H71 | C7 | H72 | 109.4° | 109.4° |
H71 | C7 | H73 | 109.4° | 109.5° |
H72 | C7 | H73 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C7 | O3 | C3 | C2 | 122.3° | 90.0° |
C7 | O3 | C3 | C4 | 114.9° | 150.5° |
C7 | O3 | C3 | H3 | 3.7° | 30.2° |
O3 | C7 | H71 | H72 | 120.0° | 119.9° |
O3 | C7 | H71 | H73 | 120.0° | 120.1° |
O3 | C7 | H72 | H73 | 120.0° | 120.0° |
O3 | C3 | C2 | O2 | 57.6° | 63.3° |
O3 | C3 | C2 | C4 | 123.4° | 119.8° |
O3 | C3 | C2 | H3 | 117.9° | 120.3° |
O3 | C3 | C4 | H3 | 117.9° | 120.3° |
O3 | C3 | C4 | O4 | 59.7° | 63.2° |
O3 | C3 | C2 | C1 | 179.1° | 176.8° |
O3 | C3 | C4 | C5 | 178.3° | 176.9° |
O3 | C3 | C4 | H4 | 58.5° | 56.9° |
C3 | O3 | C7 | H71 | 95.3° | 180.0° |
C3 | O3 | C7 | H72 | 24.6° | 60.1° |
C3 | O3 | C7 | H73 | 144.7° | 60.0° |
O3 | C3 | C2 | H2 | 61.5° | 56.9° |
O2 | C2 | C3 | C1 | 121.5° | 119.9° |
O2 | C2 | C3 | H2 | 119.1° | 120.2° |
O2 | C2 | C3 | C4 | 179.0° | 176.9° |
O2 | C2 | C1 | H2 | 119.1° | 120.2° |
O2 | C2 | C1 | O1 | 60.5° | 62.5° |
O2 | C2 | C1 | O5 | 178.8° | 177.5° |
O2 | C2 | C3 | H3 | 60.3° | 57.0° |
O2 | C2 | C1 | H1 | 58.2° | 57.5° |
C2 | C3 | C4 | H3 | 118.7° | 119.9° |
C2 | C3 | C4 | O4 | 176.9° | 176.9° |
C3 | C2 | C1 | H2 | 120.2° | 119.9° |
C2 | C3 | C4 | C5 | 54.9° | 57.0° |
C3 | C2 | C1 | O1 | 178.8° | 177.6° |
C3 | C2 | C1 | O5 | 58.0° | 57.6° |
C2 | C3 | C4 | H4 | 64.9° | 63.0° |
C3 | C2 | O2 | HO2 | 5.0° | 180.0° |
C3 | C2 | C1 | H1 | 62.5° | 62.3° |
C3 | C4 | O4 | C5 | 121.9° | 119.7° |
C3 | C4 | O4 | H4 | 118.3° | 120.1° |
C4 | C3 | C2 | C1 | 57.6° | 57.0° |
C3 | C4 | C5 | H4 | 118.4° | 120.0° |
C3 | C4 | C5 | O5 | 53.3° | 57.7° |
C3 | C4 | C5 | C6 | 172.3° | 177.6° |
C3 | C4 | C5 | H5 | 66.4° | 62.3° |
C3 | C4 | O4 | HO4 | 167.6° | 179.7° |
C4 | C3 | C2 | H2 | 61.9° | 62.9° |
O4 | C4 | C5 | H4 | 118.3° | 120.1° |
O4 | C4 | C5 | O5 | 176.6° | 177.6° |
O4 | C4 | C5 | C6 | 64.4° | 62.5° |
O4 | C4 | C5 | H5 | 56.9° | 57.6° |
O4 | C4 | C3 | H3 | 58.2° | 57.1° |
C2 | C1 | O1 | O5 | 121.5° | 120.0° |
C2 | C1 | O1 | H1 | 118.0° | 120.0° |
C2 | C1 | O5 | H1 | 118.1° | 120.0° |
C2 | C1 | O5 | C5 | 58.8° | 61.2° |
C1 | C2 | C3 | H3 | 61.1° | 62.9° |
C1 | C2 | O2 | HO2 | 115.4° | 60.3° |
C2 | C1 | O1 | HO1 | 71.4° | 180.0° |
C4 | C5 | O5 | C1 | 56.9° | 61.2° |
C4 | C5 | O5 | C6 | 119.9° | 120.0° |
C4 | C5 | O5 | H5 | 118.8° | 120.0° |
C4 | C5 | C6 | H5 | 118.8° | 120.1° |
C4 | C5 | C6 | O6 | 134.5° | 175.1° |
C4 | C5 | C6 | H61 | 14.4° | 64.9° |
C4 | C5 | C6 | H62 | 105.4° | 55.1° |
C5 | C4 | O4 | HO4 | 70.4° | 60.0° |
C5 | C4 | C3 | H3 | 63.7° | 62.8° |
O1 | C1 | O5 | H1 | 118.8° | 120.0° |
O1 | C1 | O5 | C5 | 178.1° | 178.8° |
O1 | C1 | C2 | H2 | 58.7° | 57.7° |
C1 | O5 | C5 | C6 | 176.8° | 178.9° |
C1 | O5 | C5 | H5 | 61.9° | 58.8° |
O5 | C1 | C2 | H2 | 62.1° | 62.3° |
O5 | C1 | O1 | HO1 | 167.2° | 60.0° |
O5 | C5 | C6 | H5 | 119.7° | 120.0° |
O5 | C5 | C6 | O6 | 104.1° | 65.0° |
O5 | C5 | C6 | H61 | 135.9° | 55.0° |
O5 | C5 | C6 | H62 | 16.0° | 175.0° |
O5 | C5 | C4 | H4 | 65.1° | 62.3° |
C5 | O5 | C1 | H1 | 59.3° | 58.8° |
C5 | C6 | O6 | H61 | 120.0° | 120.1° |
C5 | C6 | O6 | H62 | 120.1° | 120.0° |
C5 | C6 | O6 | HO6 | 40.0° | 180.0° |
C5 | C6 | H61 | H62 | 120.1° | 120.0° |
C6 | C5 | C4 | H4 | 53.9° | 57.6° |
O6 | C6 | H61 | H62 | 120.1° | 120.0° |
O6 | C6 | C5 | H5 | 15.6° | 55.0° |
HO6 | O6 | C6 | H61 | 80.0° | 59.9° |
HO6 | O6 | C6 | H62 | 160.1° | 60.0° |
H61 | C6 | C5 | H5 | 104.4° | 175.0° |
H62 | C6 | C5 | H5 | 135.7° | 65.0° |
H5 | C5 | C4 | H4 | 175.2° | 177.7° |
H4 | C4 | O4 | HO4 | 49.4° | 60.2° |
H4 | C4 | C3 | H3 | 176.4° | 177.2° |
H3 | C3 | C2 | H2 | 179.4° | 177.2° |
H71 | C7 | H72 | H73 | 119.9° | 120.0° |
H2 | C2 | O2 | HO2 | 125.2° | 59.9° |
H2 | C2 | C1 | H1 | 177.3° | 177.7° |
H1 | C1 | O1 | HO1 | 46.6° | 60.0° |