RSG
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C4 | C1 | sing | 1.55Å | 1.52Å | |
C1 | O3 | sing | 1.43Å | 1.43Å | |
C1 | C2 | sing | 1.54Å | 1.52Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C4 | O1 | sing | 1.44Å | 1.44Å | |
O1 | C3 | sing | 1.44Å | 1.45Å | |
C2 | C3 | sing | 1.55Å | 1.54Å | |
C2 | C6 | sing | 1.55Å | 1.53Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
C3 | O2 | sing | 1.44Å | 1.45Å | |
O2 | C5 | sing | 1.44Å | 1.44Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C4 | H4A | sing | 1.09Å | 1.10Å | |
C6 | C5 | sing | 1.55Å | 1.52Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C5 | H5A | sing | 1.09Å | 1.10Å | |
C6 | H6 | sing | 1.09Å | 1.10Å | |
C6 | H6A | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C4 | C1 | O3 | 109.6° | 110.9° |
C4 | C1 | C2 | 102.0° | 101.9° |
C4 | C1 | H1 | 114.2° | 110.9° |
C1 | C4 | O1 | 103.2° | 103.5° |
C1 | C4 | H4 | 111.6° | 110.6° |
C1 | C4 | H4A | 111.6° | 110.6° |
O3 | C1 | C2 | 109.6° | 111.0° |
O3 | C1 | H1 | 107.2° | 110.9° |
C1 | O3 | HO3 | 109.5° | 114.0° |
C2 | C1 | H1 | 114.2° | 110.9° |
C1 | C2 | C3 | 104.3° | 104.2° |
C1 | C2 | C6 | 111.5° | 109.2° |
C1 | C2 | H2 | 110.0° | 112.6° |
C4 | O1 | C3 | 105.9° | 107.5° |
O1 | C4 | H4 | 111.6° | 110.6° |
O1 | C4 | H4A | 111.6° | 110.6° |
O1 | C3 | C2 | 106.1° | 107.0° |
O1 | C3 | O2 | 108.0° | 108.2° |
O1 | C3 | H3 | 111.5° | 111.3° |
C3 | C2 | C6 | 104.2° | 104.2° |
C3 | C2 | H2 | 116.7° | 112.8° |
C2 | C3 | O2 | 106.2° | 107.0° |
C2 | C3 | H3 | 113.2° | 111.3° |
C6 | C2 | H2 | 110.1° | 113.1° |
C2 | C6 | C5 | 102.0° | 101.9° |
C2 | C6 | H6 | 112.0° | 110.9° |
C2 | C6 | H6A | 112.0° | 110.9° |
C3 | O2 | C5 | 105.8° | 107.6° |
O2 | C3 | H3 | 111.5° | 111.8° |
O2 | C5 | C6 | 103.1° | 103.5° |
O2 | C5 | H5 | 111.7° | 110.6° |
O2 | C5 | H5A | 111.6° | 110.6° |
H4 | C4 | H4A | 107.2° | 110.7° |
C6 | C5 | H5 | 111.6° | 110.6° |
C6 | C5 | H5A | 111.6° | 110.7° |
C5 | C6 | H6 | 112.0° | 111.0° |
C5 | C6 | H6A | 112.0° | 110.9° |
H5 | C5 | H5A | 107.2° | 110.6° |
H6 | C6 | H6A | 106.8° | 110.9° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C4 | C1 | O3 | C2 | 111.1° | 112.6° |
C4 | C1 | O3 | H1 | 124.4° | 123.7° |
C4 | C1 | C2 | H1 | 123.7° | 118.1° |
C1 | C4 | O1 | H4 | 120.0° | 118.5° |
C1 | C4 | O1 | H4A | 120.0° | 118.5° |
C1 | C4 | O1 | C3 | 42.8° | 39.3° |
C4 | C1 | C2 | C3 | 23.5° | 23.0° |
C4 | C1 | C2 | C6 | 135.3° | 133.8° |
C4 | C1 | C2 | H2 | 102.3° | 99.7° |
C4 | C1 | O3 | HO3 | 180.0° | 67.4° |
C1 | C4 | H4 | H4A | 122.6° | 123.0° |
O3 | C1 | C2 | H1 | 120.3° | 123.7° |
O3 | C1 | C4 | O1 | 75.4° | 80.3° |
O3 | C1 | C2 | C3 | 92.5° | 95.2° |
O3 | C1 | C2 | C6 | 19.3° | 15.6° |
O3 | C1 | C2 | H2 | 141.7° | 142.1° |
O3 | C1 | C4 | H4 | 44.6° | 38.2° |
O3 | C1 | C4 | H4A | 164.6° | 161.2° |
C2 | C1 | C4 | O1 | 40.6° | 37.9° |
C1 | C2 | C3 | O1 | 1.0° | 0.7° |
C1 | C2 | C3 | C6 | 117.0° | 114.4° |
C1 | C2 | C3 | H2 | 121.5° | 122.5° |
C1 | C2 | C6 | H2 | 122.3° | 126.3° |
C1 | C2 | C3 | O2 | 115.8° | 115.1° |
C1 | C2 | C3 | H3 | 121.6° | 122.5° |
C2 | C1 | O3 | HO3 | 68.9° | 180.0° |
C2 | C1 | C4 | H4 | 160.6° | 156.4° |
C2 | C1 | C4 | H4A | 79.4° | 80.6° |
C1 | C2 | C6 | C5 | 135.3° | 133.8° |
C1 | C2 | C6 | H6 | 104.7° | 108.1° |
C1 | C2 | C6 | H6A | 15.3° | 15.6° |
H1 | C1 | C4 | O1 | 164.3° | 156.0° |
H1 | C1 | C2 | C3 | 147.2° | 141.1° |
H1 | C1 | C2 | C6 | 101.0° | 108.1° |
H1 | C1 | C2 | H2 | 21.4° | 18.4° |
H1 | C1 | O3 | HO3 | 55.5° | 56.3° |
H1 | C1 | C4 | H4 | 75.7° | 85.5° |
H1 | C1 | C4 | H4A | 44.3° | 37.5° |
C4 | O1 | C3 | C2 | 27.3° | 24.3° |
C4 | O1 | C3 | O2 | 140.8° | 139.2° |
C4 | O1 | C3 | H3 | 96.4° | 97.5° |
O1 | C4 | H4 | H4A | 122.6° | 123.0° |
O1 | C3 | C2 | O2 | 114.8° | 115.8° |
O1 | C3 | C2 | H3 | 122.6° | 121.8° |
O1 | C3 | C2 | C6 | 115.9° | 115.1° |
O1 | C3 | C2 | H2 | 122.5° | 121.9° |
O1 | C3 | O2 | H3 | 122.9° | 123.0° |
O1 | C3 | O2 | C5 | 140.8° | 139.2° |
C3 | O1 | C4 | H4 | 162.8° | 157.8° |
C3 | O1 | C4 | H4A | 77.3° | 79.2° |
C3 | C2 | C6 | H2 | 125.8° | 122.9° |
C2 | C3 | O2 | H3 | 123.7° | 122.1° |
C2 | C3 | O2 | C5 | 27.4° | 24.3° |
C3 | C2 | C6 | C5 | 23.5° | 22.9° |
C3 | C2 | C6 | H6 | 143.5° | 141.1° |
C3 | C2 | C6 | H6A | 96.6° | 95.2° |
C6 | C2 | C3 | O2 | 1.2° | 0.7° |
C2 | C6 | C5 | O2 | 40.7° | 37.8° |
C6 | C2 | C3 | H3 | 121.4° | 123.0° |
C2 | C6 | C5 | H6 | 120.0° | 118.1° |
C2 | C6 | C5 | H6A | 120.0° | 118.1° |
C2 | C6 | C5 | H5 | 160.7° | 156.3° |
C2 | C6 | C5 | H5A | 79.3° | 80.7° |
C2 | C6 | H6 | H6A | 123.0° | 123.7° |
H2 | C2 | C3 | O2 | 122.7° | 122.4° |
H2 | C2 | C3 | H3 | 0.1° | 0.0° |
H2 | C2 | C6 | C5 | 102.4° | 100.0° |
H2 | C2 | C6 | H6 | 17.6° | 18.2° |
H2 | C2 | C6 | H6A | 137.6° | 141.9° |
C3 | O2 | C5 | C6 | 42.8° | 39.3° |
C3 | O2 | C5 | H5 | 162.8° | 157.8° |
C3 | O2 | C5 | H5A | 77.2° | 79.3° |
C5 | O2 | C3 | H3 | 96.3° | 97.8° |
O2 | C5 | C6 | H5 | 120.0° | 118.5° |
O2 | C5 | C6 | H5A | 120.0° | 118.5° |
O2 | C5 | H5 | H5A | 122.6° | 122.9° |
O2 | C5 | C6 | H6 | 160.6° | 155.9° |
O2 | C5 | C6 | H6A | 79.4° | 80.3° |
C6 | C5 | H5 | H5A | 122.6° | 123.0° |
C5 | C6 | H6 | H6A | 123.0° | 123.8° |
H5 | C5 | C6 | H6 | 79.3° | 85.5° |
H5 | C5 | C6 | H6A | 40.7° | 38.2° |
H5A | C5 | C6 | H6 | 40.6° | 37.4° |
H5A | C5 | C6 | H6A | 160.6° | 161.2° |