3MK
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | O1 | sing | 1.43Å | 1.44Å | |
C1 | C2 | sing | 1.53Å | 1.54Å | |
C1 | O5 | sing | 1.43Å | 1.44Å | |
C2 | O2 | sing | 1.43Å | 1.43Å | |
C2 | C3 | sing | 1.53Å | 1.54Å | |
C3 | O3 | sing | 1.43Å | 1.44Å | |
C3 | C4 | sing | 1.53Å | 1.55Å | |
C4 | O4 | sing | 1.43Å | 1.45Å | |
C4 | C5 | sing | 1.53Å | 1.54Å | |
C5 | O5 | sing | 1.43Å | 1.44Å | |
C5 | C6 | sing | 1.53Å | 1.52Å | |
C6 | O6 | sing | 1.43Å | 1.44Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C6 | H61 | sing | 1.09Å | 1.10Å | |
C6 | H62 | sing | 1.09Å | 1.10Å | |
O6 | HO6 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C1 | C2 | 110.0° | 109.5° |
O1 | C1 | O5 | 107.9° | 109.5° |
O1 | C1 | H1 | 111.0° | 109.5° |
C1 | O1 | HO1 | 109.5° | 113.9° |
C2 | C1 | O5 | 111.8° | 109.4° |
C1 | C2 | O2 | 109.9° | 109.5° |
C1 | C2 | C3 | 112.6° | 109.2° |
C2 | C1 | H1 | 107.1° | 109.5° |
C1 | C2 | H2 | 107.6° | 109.5° |
C1 | O5 | C5 | 115.6° | 114.1° |
O5 | C1 | H1 | 109.1° | 109.5° |
O2 | C2 | C3 | 111.2° | 109.6° |
O2 | C2 | H2 | 109.2° | 109.5° |
C2 | O2 | HO2 | 109.5° | 114.1° |
C2 | C3 | O3 | 108.9° | 109.5° |
C2 | C3 | C4 | 111.9° | 109.0° |
C3 | C2 | H2 | 106.2° | 109.6° |
C2 | C3 | H3 | 109.2° | 109.6° |
O3 | C3 | C4 | 112.2° | 109.5° |
O3 | C3 | H3 | 108.9° | 109.6° |
C3 | O3 | HO3 | 109.5° | 114.0° |
C3 | C4 | O4 | 114.3° | 109.5° |
C3 | C4 | C5 | 109.8° | 109.2° |
C4 | C3 | H3 | 105.7° | 109.6° |
C3 | C4 | H4 | 106.0° | 109.5° |
O4 | C4 | C5 | 109.9° | 109.5° |
O4 | C4 | H4 | 105.9° | 109.5° |
C4 | O4 | HO4 | 109.5° | 114.0° |
C4 | C5 | O5 | 112.9° | 109.4° |
C4 | C5 | C6 | 113.3° | 109.5° |
C5 | C4 | H4 | 110.8° | 109.6° |
C4 | C5 | H5 | 103.9° | 109.4° |
O5 | C5 | C6 | 108.2° | 109.5° |
O5 | C5 | H5 | 109.5° | 109.5° |
C5 | C6 | O6 | 116.8° | 109.5° |
C6 | C5 | H5 | 109.0° | 109.5° |
C5 | C6 | H61 | 107.1° | 109.5° |
C5 | C6 | H62 | 107.1° | 109.5° |
O6 | C6 | H61 | 107.1° | 109.5° |
O6 | C6 | H62 | 107.1° | 109.5° |
C6 | O6 | HO6 | 109.5° | 114.0° |
H61 | C6 | H62 | 111.8° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C1 | C2 | O5 | 119.9° | 119.9° |
O1 | C1 | C2 | H1 | 120.7° | 120.1° |
O1 | C1 | O5 | H1 | 120.7° | 120.1° |
O1 | C1 | C2 | O2 | 49.8° | 57.6° |
O1 | C1 | C2 | C3 | 74.8° | 177.6° |
O1 | C1 | O5 | C5 | 131.0° | 178.9° |
O1 | C1 | C2 | H2 | 168.5° | 62.5° |
C2 | C1 | O5 | H1 | 118.2° | 120.0° |
C1 | C2 | O2 | C3 | 125.4° | 119.7° |
C1 | C2 | O2 | H2 | 117.8° | 120.1° |
C1 | C2 | C3 | H2 | 117.5° | 119.9° |
C1 | C2 | C3 | O3 | 175.9° | 62.9° |
C1 | C2 | C3 | C4 | 51.4° | 57.0° |
C2 | C1 | O5 | C5 | 9.9° | 61.2° |
C2 | C1 | O1 | HO1 | 180.0° | 180.0° |
C1 | C2 | O2 | HO2 | 180.0° | 60.0° |
C1 | C2 | C3 | H3 | 65.3° | 176.9° |
O5 | C1 | C2 | O2 | 169.7° | 62.3° |
O5 | C1 | C2 | C3 | 45.1° | 57.6° |
C1 | O5 | C5 | C4 | 59.9° | 61.2° |
C1 | O5 | C5 | C6 | 173.9° | 178.9° |
O5 | C1 | O1 | HO1 | 57.8° | 60.1° |
O5 | C1 | C2 | H2 | 71.6° | 177.6° |
C1 | O5 | C5 | H5 | 55.3° | 58.8° |
O2 | C2 | C3 | H2 | 118.6° | 120.2° |
O2 | C2 | C3 | O3 | 60.3° | 177.2° |
O2 | C2 | C3 | C4 | 175.2° | 62.9° |
O2 | C2 | C1 | H1 | 70.9° | 177.7° |
O2 | C2 | C3 | H3 | 58.5° | 57.0° |
C2 | C3 | O3 | C4 | 124.4° | 119.5° |
C2 | C3 | O3 | H3 | 119.0° | 120.2° |
C2 | C3 | C4 | H3 | 118.8° | 119.9° |
C2 | C3 | C4 | O4 | 119.4° | 176.9° |
C2 | C3 | C4 | C5 | 4.6° | 57.0° |
C3 | C2 | C1 | H1 | 164.6° | 62.4° |
C3 | C2 | O2 | HO2 | 54.6° | 179.7° |
C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
C2 | C3 | C4 | H4 | 124.3° | 63.0° |
O3 | C3 | C4 | H3 | 118.5° | 120.2° |
O3 | C3 | C4 | O4 | 3.3° | 57.0° |
O3 | C3 | C4 | C5 | 127.3° | 62.9° |
O3 | C3 | C2 | H2 | 58.4° | 57.0° |
O3 | C3 | C4 | H4 | 113.0° | 177.2° |
C3 | C4 | O4 | C5 | 124.0° | 119.7° |
C3 | C4 | O4 | H4 | 116.3° | 120.1° |
C3 | C4 | C5 | H4 | 116.7° | 119.9° |
C3 | C4 | C5 | O5 | 50.0° | 57.6° |
C3 | C4 | C5 | C6 | 173.4° | 177.6° |
C4 | C3 | C2 | H2 | 66.2° | 176.9° |
C4 | C3 | O3 | HO3 | 55.6° | 179.6° |
C3 | C4 | O4 | HO4 | 180.0° | 59.9° |
C3 | C4 | C5 | H5 | 68.5° | 62.4° |
O4 | C4 | C5 | H4 | 116.7° | 120.1° |
O4 | C4 | C5 | O5 | 176.6° | 177.5° |
O4 | C4 | C5 | C6 | 60.0° | 62.5° |
O4 | C4 | C3 | H3 | 121.8° | 63.2° |
O4 | C4 | C5 | H5 | 58.1° | 57.5° |
C4 | C5 | O5 | C6 | 126.2° | 120.0° |
C4 | C5 | O5 | H5 | 115.2° | 120.0° |
C4 | C5 | C6 | H5 | 115.1° | 120.0° |
C4 | C5 | C6 | O6 | 46.6° | 175.0° |
C5 | C4 | C3 | H3 | 114.2° | 176.9° |
C5 | C4 | O4 | HO4 | 56.0° | 179.6° |
C4 | C5 | C6 | H61 | 73.4° | 65.0° |
C4 | C5 | C6 | H62 | 166.6° | 55.0° |
O5 | C5 | C6 | H5 | 118.9° | 120.1° |
O5 | C5 | C6 | O6 | 79.4° | 65.1° |
C5 | O5 | C1 | H1 | 108.3° | 58.8° |
O5 | C5 | C4 | H4 | 66.7° | 62.3° |
O5 | C5 | C6 | H61 | 160.6° | 54.9° |
O5 | C5 | C6 | H62 | 40.6° | 174.9° |
C5 | C6 | O6 | H61 | 120.0° | 120.0° |
C5 | C6 | O6 | H62 | 120.0° | 120.0° |
C6 | C5 | C4 | H4 | 56.7° | 57.7° |
C5 | C6 | H61 | H62 | 117.0° | 120.0° |
C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
O6 | C6 | C5 | H5 | 161.7° | 55.0° |
O6 | C6 | H61 | H62 | 117.0° | 120.0° |
H1 | C1 | O1 | HO1 | 61.7° | 59.9° |
H1 | C1 | C2 | H2 | 47.9° | 57.6° |
H2 | C2 | O2 | HO2 | 62.2° | 60.1° |
H2 | C2 | C3 | H3 | 177.1° | 63.2° |
H3 | C3 | O3 | HO3 | 61.1° | 60.2° |
H3 | C3 | C4 | H4 | 5.6° | 56.9° |
H4 | C4 | O4 | HO4 | 63.7° | 60.2° |
H4 | C4 | C5 | H5 | 174.8° | 177.7° |
H5 | C5 | C6 | H61 | 41.7° | 175.0° |
H5 | C5 | C6 | H62 | 78.3° | 65.0° |
H61 | C6 | O6 | HO6 | 60.0° | 59.9° |
H62 | C6 | O6 | HO6 | 60.0° | 60.0° |