RSF
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C5 | C6 | sing | 1.55Å | 1.46Å | |
C5 | O1 | sing | 1.44Å | 1.41Å | |
C6 | C2 | sing | 1.55Å | 1.42Å | |
O1 | C1 | sing | 1.44Å | 1.40Å | |
C4 | O2 | sing | 1.44Å | 1.46Å | |
C4 | C3 | sing | 1.55Å | 1.52Å | |
O2 | C1 | sing | 1.44Å | 1.43Å | |
C1 | C2 | sing | 1.55Å | 1.49Å | |
C2 | C3 | sing | 1.54Å | 1.51Å | |
C3 | O3 | sing | 1.43Å | 1.43Å | |
C5 | H15 | sing | 1.09Å | 1.10Å | |
C5 | H25 | sing | 1.09Å | 1.10Å | |
C6 | H16 | sing | 1.09Å | 1.10Å | |
C6 | H26 | sing | 1.09Å | 1.10Å | |
C4 | H14 | sing | 1.09Å | 1.10Å | |
C4 | H24 | sing | 1.09Å | 1.10Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C6 | C5 | O1 | 109.1° | 103.5° |
C5 | C6 | C2 | 108.2° | 101.9° |
C6 | C5 | H15 | 109.6° | 110.6° |
C6 | C5 | H25 | 109.7° | 110.6° |
C5 | C6 | H16 | 109.9° | 111.0° |
C5 | C6 | H26 | 110.2° | 110.9° |
C5 | O1 | C1 | 107.6° | 107.5° |
O1 | C5 | H15 | 109.6° | 110.6° |
O1 | C5 | H25 | 109.7° | 110.6° |
C6 | C2 | C1 | 105.3° | 104.2° |
C6 | C2 | C3 | 153.8° | 109.2° |
C2 | C6 | H16 | 109.9° | 110.9° |
C2 | C6 | H26 | 110.2° | 110.9° |
C6 | C2 | H2 | 73.7° | 112.6° |
O1 | C1 | O2 | 120.4° | 108.2° |
O1 | C1 | C2 | 109.8° | 106.9° |
O1 | C1 | H1 | 99.9° | 111.3° |
O2 | C4 | C3 | 104.6° | 103.5° |
C4 | O2 | C1 | 108.6° | 107.5° |
O2 | C4 | H14 | 111.1° | 110.6° |
O2 | C4 | H24 | 112.2° | 110.6° |
C4 | C3 | C2 | 101.8° | 101.9° |
C4 | C3 | O3 | 114.2° | 111.0° |
C3 | C4 | H14 | 111.1° | 110.6° |
C3 | C4 | H24 | 112.2° | 110.7° |
C4 | C3 | H3 | 111.8° | 110.9° |
O2 | C1 | C2 | 104.4° | 107.0° |
O2 | C1 | H1 | 105.8° | 111.4° |
C1 | C2 | C3 | 100.1° | 104.2° |
C2 | C1 | H1 | 117.2° | 111.9° |
C1 | C2 | H2 | 168.4° | 112.8° |
C2 | C3 | O3 | 110.6° | 110.9° |
C3 | C2 | H2 | 82.7° | 113.1° |
C2 | C3 | H3 | 115.5° | 110.9° |
O3 | C3 | H3 | 103.3° | 110.9° |
C3 | O3 | HO3 | 109.5° | 114.0° |
H15 | C5 | H25 | 109.2° | 110.7° |
H16 | C6 | H26 | 108.5° | 110.9° |
H14 | C4 | H24 | 105.8° | 110.7° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C6 | C5 | O1 | H15 | 120.0° | 118.5° |
C6 | C5 | O1 | H25 | 120.2° | 118.5° |
C5 | C6 | C2 | H16 | 120.0° | 118.2° |
C5 | C6 | C2 | H26 | 120.5° | 118.1° |
C6 | C5 | O1 | C1 | 0.0° | 39.3° |
C5 | C6 | C2 | C1 | 0.1° | 22.8° |
C5 | C6 | C2 | C3 | 165.1° | 133.7° |
C6 | C5 | H15 | H25 | 120.2° | 122.9° |
C5 | C6 | H16 | H26 | 120.5° | 123.8° |
C5 | C6 | C2 | H2 | 168.0° | 99.7° |
O1 | C5 | C6 | C2 | 0.0° | 37.8° |
C5 | O1 | C1 | O2 | 121.1° | 139.2° |
C5 | O1 | C1 | C2 | 0.1° | 24.4° |
O1 | C5 | H15 | H25 | 120.1° | 123.0° |
O1 | C5 | C6 | H16 | 120.0° | 156.0° |
O1 | C5 | C6 | H26 | 120.5° | 80.3° |
C5 | O1 | C1 | H1 | 123.9° | 98.1° |
C6 | C2 | C1 | O1 | 0.1° | 0.6° |
C6 | C2 | C3 | C4 | 123.1° | 133.8° |
C6 | C2 | C1 | O2 | 130.3° | 115.1° |
C6 | C2 | C1 | C3 | 173.4° | 114.5° |
C6 | C2 | C1 | H2 | 83.4° | 122.4° |
C6 | C2 | C3 | H2 | 26.0° | 126.2° |
C6 | C2 | C3 | O3 | 1.3° | 15.6° |
C2 | C6 | C5 | H15 | 120.0° | 156.3° |
C2 | C6 | C5 | H25 | 120.1° | 80.7° |
C2 | C6 | H16 | H26 | 120.5° | 123.7° |
C6 | C2 | C1 | H1 | 113.1° | 122.7° |
C6 | C2 | C3 | H3 | 115.5° | 108.1° |
O1 | C1 | O2 | C4 | 150.6° | 139.2° |
O1 | C1 | O2 | C2 | 123.8° | 114.9° |
O1 | C1 | O2 | H1 | 111.9° | 122.6° |
O1 | C1 | C2 | H1 | 113.0° | 122.1° |
O1 | C1 | C2 | C3 | 173.4° | 115.1° |
C1 | O1 | C5 | H15 | 120.0° | 157.8° |
C1 | O1 | C5 | H25 | 120.2° | 79.1° |
O1 | C1 | C2 | H2 | 83.3° | 121.8° |
O2 | C4 | C3 | H14 | 120.0° | 118.5° |
O2 | C4 | C3 | H24 | 121.8° | 118.6° |
C4 | O2 | C1 | C2 | 26.9° | 24.4° |
O2 | C4 | C3 | C2 | 27.2° | 37.9° |
O2 | C4 | C3 | O3 | 146.3° | 80.3° |
O2 | C4 | H14 | H24 | 122.0° | 123.0° |
C4 | O2 | C1 | H1 | 97.4° | 98.1° |
O2 | C4 | C3 | H3 | 96.7° | 156.0° |
C3 | C4 | O2 | C1 | 0.6° | 39.4° |
C4 | C3 | C2 | C1 | 42.3° | 22.9° |
C4 | C3 | C2 | O3 | 121.8° | 118.2° |
C4 | C3 | C2 | H3 | 121.4° | 118.1° |
C4 | C3 | O3 | H3 | 121.7° | 123.7° |
C3 | C4 | H14 | H24 | 122.0° | 123.0° |
C4 | C3 | C2 | H2 | 149.1° | 100.0° |
C4 | C3 | O3 | HO3 | 7.3° | 61.4° |
O2 | C1 | C2 | H1 | 116.6° | 122.2° |
O2 | C1 | C2 | C3 | 43.1° | 0.6° |
C1 | O2 | C4 | H14 | 119.4° | 157.8° |
C1 | O2 | C4 | H24 | 122.4° | 79.2° |
O2 | C1 | C2 | H2 | 146.3° | 122.5° |
C1 | C2 | C3 | H2 | 168.7° | 122.9° |
C1 | C2 | C3 | O3 | 164.1° | 95.3° |
C1 | C2 | C6 | H16 | 120.1° | 141.0° |
C1 | C2 | C6 | H26 | 120.4° | 95.3° |
C1 | C2 | C3 | H3 | 79.1° | 141.0° |
C2 | C3 | O3 | H3 | 124.1° | 123.7° |
C3 | C2 | C6 | H16 | 74.9° | 108.1° |
C3 | C2 | C6 | H26 | 44.6° | 15.6° |
C2 | C3 | C4 | H14 | 92.8° | 156.4° |
C2 | C3 | C4 | H24 | 149.0° | 80.7° |
C3 | C2 | C1 | H1 | 73.5° | 122.8° |
C2 | C3 | O3 | HO3 | 121.4° | 174.0° |
O3 | C3 | C4 | H14 | 26.4° | 38.2° |
O3 | C3 | C4 | H24 | 91.8° | 161.2° |
O3 | C3 | C2 | H2 | 27.3° | 141.8° |
H15 | C5 | C6 | H16 | 120.0° | 85.5° |
H15 | C5 | C6 | H26 | 0.5° | 38.3° |
H25 | C5 | C6 | H16 | 0.1° | 37.5° |
H25 | C5 | C6 | H26 | 119.3° | 161.2° |
H16 | C6 | C2 | H2 | 48.0° | 18.5° |
H26 | C6 | C2 | H2 | 71.5° | 142.2° |
H14 | C4 | C3 | H3 | 143.3° | 85.5° |
H24 | C4 | C3 | H3 | 25.1° | 37.5° |
H1 | C1 | C2 | H2 | 29.7° | 0.3° |
H2 | C2 | C3 | H3 | 89.6° | 18.1° |
H3 | C3 | O3 | HO3 | 114.5° | 62.3° |