YYM
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | O1 | sing | 1.43Å | 1.44Å | |
C1 | O5 | sing | 1.43Å | 1.45Å | |
C1 | C2 | sing | 1.53Å | 1.56Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C2 | C3 | sing | 1.53Å | 1.55Å | |
C2 | O2 | sing | 1.43Å | 1.45Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
C3 | O3 | sing | 1.43Å | 1.42Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C3 | C4 | sing | 1.53Å | 1.53Å | |
C4 | O4 | sing | 1.43Å | 1.42Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C4 | C5 | sing | 1.53Å | 1.52Å | |
C5 | H51 | sing | 1.09Å | 1.10Å | |
C5 | H52 | sing | 1.09Å | 1.10Å | |
C5 | O5 | sing | 1.43Å | 1.43Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C1 | O5 | 111.0° | 109.5° |
O1 | C1 | C2 | 110.5° | 109.5° |
O1 | C1 | H1 | 106.7° | 109.5° |
C1 | O1 | HO1 | 109.5° | 114.1° |
O5 | C1 | C2 | 116.1° | 109.4° |
O5 | C1 | H1 | 106.6° | 109.4° |
C1 | O5 | C5 | 113.0° | 114.1° |
C2 | C1 | H1 | 105.4° | 109.5° |
C1 | C2 | C3 | 114.3° | 109.2° |
C1 | C2 | O2 | 112.5° | 109.5° |
C1 | C2 | H2 | 105.4° | 109.5° |
C3 | C2 | O2 | 111.7° | 109.5° |
C3 | C2 | H2 | 105.4° | 109.5° |
C2 | C3 | O3 | 108.8° | 109.6° |
C2 | C3 | H3 | 107.3° | 109.5° |
C2 | C3 | C4 | 113.9° | 109.0° |
O2 | C2 | H2 | 106.6° | 109.5° |
C2 | O2 | HO2 | 109.5° | 114.1° |
O3 | C3 | H3 | 109.1° | 109.6° |
O3 | C3 | C4 | 110.1° | 109.6° |
C3 | O3 | HO3 | 109.5° | 114.0° |
H3 | C3 | C4 | 107.5° | 109.6° |
C3 | C4 | O4 | 110.6° | 109.5° |
C3 | C4 | H4 | 107.3° | 109.5° |
C3 | C4 | C5 | 111.6° | 109.2° |
O4 | C4 | H4 | 108.8° | 109.6° |
O4 | C4 | C5 | 111.0° | 109.5° |
C4 | O4 | HO4 | 109.5° | 114.0° |
H4 | C4 | C5 | 107.4° | 109.6° |
C4 | C5 | H51 | 111.2° | 109.5° |
C4 | C5 | H52 | 111.2° | 109.5° |
C4 | C5 | O5 | 102.5° | 109.4° |
H51 | C5 | H52 | 109.5° | 109.5° |
H51 | C5 | O5 | 111.2° | 109.5° |
H52 | C5 | O5 | 111.2° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C1 | O5 | C2 | 127.2° | 120.1° |
O1 | C1 | O5 | H1 | 115.8° | 120.0° |
O1 | C1 | C2 | H1 | 114.9° | 120.0° |
O1 | C1 | C2 | C3 | 147.6° | 177.6° |
O1 | C1 | C2 | O2 | 18.7° | 57.7° |
O1 | C1 | C2 | H2 | 97.0° | 62.5° |
O1 | C1 | O5 | C5 | 98.2° | 178.8° |
O5 | C1 | C2 | H1 | 117.7° | 119.9° |
O5 | C1 | C2 | C3 | 20.2° | 57.6° |
O5 | C1 | C2 | O2 | 108.7° | 62.3° |
O5 | C1 | C2 | H2 | 135.5° | 177.5° |
C1 | O5 | C5 | C4 | 72.7° | 61.1° |
C1 | O5 | C5 | H51 | 46.1° | 58.8° |
C1 | O5 | C5 | H52 | 168.4° | 178.8° |
O5 | C1 | O1 | HO1 | 180.0° | 60.0° |
C1 | C2 | C3 | O2 | 129.3° | 119.9° |
C1 | C2 | C3 | H2 | 115.3° | 119.9° |
C1 | C2 | O2 | H2 | 115.1° | 120.1° |
C1 | C2 | C3 | O3 | 145.2° | 176.8° |
C1 | C2 | C3 | H3 | 96.9° | 62.9° |
C1 | C2 | C3 | C4 | 22.0° | 57.0° |
C2 | C1 | O5 | C5 | 29.0° | 61.1° |
C2 | C1 | O1 | HO1 | 49.7° | 179.9° |
C1 | C2 | O2 | HO2 | 180.0° | 60.0° |
H1 | C1 | C2 | C3 | 97.5° | 62.4° |
H1 | C1 | C2 | O2 | 133.6° | 177.7° |
H1 | C1 | C2 | H2 | 17.8° | 57.6° |
H1 | C1 | O5 | C5 | 146.0° | 58.8° |
H1 | C1 | O1 | HO1 | 64.3° | 60.0° |
C3 | C2 | O2 | H2 | 114.7° | 120.1° |
C2 | C3 | O3 | H3 | 116.7° | 120.2° |
C2 | C3 | O3 | C4 | 125.5° | 119.5° |
C2 | C3 | H3 | C4 | 123.0° | 119.5° |
C2 | C3 | C4 | O4 | 145.3° | 62.9° |
C2 | C3 | C4 | H4 | 96.2° | 176.9° |
C2 | C3 | C4 | C5 | 21.2° | 57.0° |
C3 | C2 | O2 | HO2 | 49.8° | 179.7° |
C2 | C3 | O3 | HO3 | 180.0° | 180.0° |
O2 | C2 | C3 | O3 | 15.9° | 56.9° |
O2 | C2 | C3 | H3 | 133.8° | 177.2° |
O2 | C2 | C3 | C4 | 107.3° | 63.0° |
H2 | C2 | C3 | O3 | 99.5° | 63.2° |
H2 | C2 | C3 | H3 | 18.4° | 57.0° |
H2 | C2 | C3 | C4 | 137.3° | 176.9° |
H2 | C2 | O2 | HO2 | 64.9° | 60.1° |
O3 | C3 | H3 | C4 | 119.3° | 120.3° |
O3 | C3 | C4 | O4 | 22.7° | 56.9° |
O3 | C3 | C4 | H4 | 141.3° | 63.2° |
O3 | C3 | C4 | C5 | 101.3° | 176.8° |
H3 | C3 | C4 | O4 | 96.0° | 177.2° |
H3 | C3 | C4 | H4 | 22.6° | 57.1° |
H3 | C3 | C4 | C5 | 140.0° | 62.9° |
H3 | C3 | O3 | HO3 | 63.2° | 59.9° |
C3 | C4 | O4 | H4 | 117.6° | 120.1° |
C3 | C4 | O4 | C5 | 124.4° | 119.7° |
C3 | C4 | H4 | C5 | 120.1° | 119.7° |
C3 | C4 | C5 | H51 | 50.8° | 62.4° |
C3 | C4 | C5 | H52 | 173.0° | 177.6° |
C3 | C4 | C5 | O5 | 68.1° | 57.6° |
C4 | C3 | O3 | HO3 | 54.5° | 60.4° |
C3 | C4 | O4 | HO4 | 180.0° | 180.0° |
O4 | C4 | H4 | C5 | 120.2° | 120.2° |
O4 | C4 | C5 | H51 | 73.1° | 177.8° |
O4 | C4 | C5 | H52 | 49.2° | 57.7° |
O4 | C4 | C5 | O5 | 168.0° | 62.3° |
H4 | C4 | C5 | H51 | 168.1° | 57.6° |
H4 | C4 | C5 | H52 | 69.7° | 62.5° |
H4 | C4 | C5 | O5 | 49.2° | 177.5° |
H4 | C4 | O4 | HO4 | 62.4° | 59.9° |
C4 | C5 | H51 | H52 | 123.2° | 120.1° |
C4 | C5 | H51 | O5 | 113.5° | 119.9° |
C4 | C5 | H52 | O5 | 113.5° | 120.0° |
C5 | C4 | O4 | HO4 | 55.6° | 60.3° |
H51 | C5 | H52 | O5 | 123.2° | 120.0° |