BXY
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O5 | C5 | sing | 1.43Å | 1.22Å | |
O5 | HO5 | sing | 0.97Å | 0.95Å | |
C5 | H51 | sing | 1.09Å | 1.10Å | |
C5 | H52 | sing | 1.09Å | 1.10Å | |
C4 | C5 | sing | 1.53Å | 1.52Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C3 | C4 | sing | 1.54Å | 1.53Å | |
C3 | O3 | sing | 1.43Å | 1.43Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
C2 | C3 | sing | 1.55Å | 1.53Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
O2 | C2 | sing | 1.43Å | 1.43Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
C1 | C2 | sing | 1.55Å | 1.53Å | |
C1 | O4 | sing | 1.45Å | 1.43Å | |
C1 | O1 | sing | 1.43Å | 1.43Å | |
O4 | C4 | sing | 1.44Å | 1.42Å | |
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) |
C5 | O5 | HO5 | 109.5° | 114.0° |
O5 | C5 | H51 | 109.7° | 109.5° |
O5 | C5 | H52 | 109.9° | 109.5° |
O5 | C5 | C4 | 108.7° | 109.5° |
H51 | C5 | H52 | 108.9° | 109.5° |
H51 | C5 | C4 | 109.7° | 109.4° |
H52 | C5 | C4 | 109.9° | 109.5° |
C5 | C4 | H4 | 109.7° | 109.8° |
C5 | C4 | C3 | 106.0° | 109.9° |
C5 | C4 | O4 | 109.4° | 109.9° |
H4 | C4 | C3 | 115.9° | 109.9° |
H4 | C4 | O4 | 112.9° | 109.9° |
C4 | C3 | O3 | 104.8° | 110.5° |
C4 | C3 | H3 | 115.2° | 110.5° |
C4 | C3 | C2 | 102.5° | 104.2° |
C3 | C4 | O4 | 102.4° | 107.4° |
O3 | C3 | H3 | 113.0° | 110.4° |
C3 | O3 | HO3 | 109.5° | 114.0° |
O3 | C3 | C2 | 105.1° | 110.5° |
H3 | C3 | C2 | 115.0° | 110.6° |
C3 | C2 | H2 | 114.7° | 110.9° |
C3 | C2 | O2 | 106.2° | 110.9° |
C3 | C2 | C1 | 102.8° | 102.1° |
H2 | C2 | O2 | 111.5° | 110.8° |
H2 | C2 | C1 | 114.4° | 110.9° |
C2 | O2 | HO2 | 109.5° | 114.0° |
O2 | C2 | C1 | 106.5° | 110.9° |
C2 | C1 | O4 | 107.1° | 103.5° |
C2 | C1 | O1 | 119.8° | 110.6° |
C2 | C1 | H1 | 106.5° | 110.6° |
O4 | C1 | O1 | 115.8° | 110.6° |
C1 | O4 | C4 | 104.4° | 106.8° |
O4 | C1 | H1 | 111.5° | 110.6° |
O1 | C1 | H1 | 95.3° | 110.7° |
C1 | O1 | HO1 | 109.5° | 114.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O5 | C5 | H51 | H52 | 120.3° | 120.0° |
O5 | C5 | H51 | C4 | 119.4° | 120.0° |
O5 | C5 | H52 | C4 | 119.6° | 120.0° |
O5 | C5 | C4 | H4 | 152.9° | 54.4° |
O5 | C5 | C4 | C3 | 81.2° | 175.3° |
O5 | C5 | C4 | O4 | 28.5° | 66.7° |
HO5 | O5 | C5 | H51 | 88.8° | 60.0° |
HO5 | O5 | C5 | H52 | 151.5° | 60.0° |
HO5 | O5 | C5 | C4 | 31.2° | 180.0° |
H51 | C5 | H52 | C4 | 120.2° | 120.0° |
H51 | C5 | C4 | H4 | 87.2° | 174.3° |
H51 | C5 | C4 | C3 | 38.7° | 64.7° |
H51 | C5 | C4 | O4 | 148.5° | 53.3° |
H52 | C5 | C4 | H4 | 32.6° | 65.7° |
H52 | C5 | C4 | C3 | 158.5° | 55.3° |
H52 | C5 | C4 | O4 | 91.8° | 173.3° |
C5 | C4 | H4 | C3 | 120.0° | 121.0° |
C5 | C4 | H4 | O4 | 122.3° | 121.0° |
C5 | C4 | C3 | O4 | 114.6° | 119.5° |
C5 | C4 | C3 | O3 | 96.5° | 123.9° |
C5 | C4 | C3 | H3 | 28.3° | 1.4° |
C5 | C4 | C3 | C2 | 153.9° | 117.4° |
C5 | C4 | O4 | C1 | 158.5° | 93.0° |
H4 | C4 | C3 | O4 | 123.4° | 119.6° |
H4 | C4 | C3 | O3 | 25.5° | 2.9° |
H4 | C4 | C3 | H3 | 150.3° | 119.6° |
H4 | C4 | C3 | C2 | 84.1° | 121.6° |
H4 | C4 | O4 | C1 | 79.0° | 146.0° |
C4 | C3 | O3 | H3 | 126.2° | 122.5° |
C4 | C3 | O3 | C2 | 107.7° | 114.8° |
C4 | C3 | H3 | C2 | 118.9° | 114.8° |
C4 | C3 | O3 | HO3 | 40.2° | 180.0° |
C4 | C3 | C2 | H2 | 107.0° | 97.4° |
C4 | C3 | C2 | O2 | 129.5° | 139.1° |
C4 | C3 | C2 | C1 | 17.8° | 20.9° |
C3 | C4 | O4 | C1 | 46.4° | 26.5° |
O3 | C3 | H3 | C2 | 120.7° | 122.7° |
O3 | C3 | C2 | H2 | 2.3° | 21.3° |
O3 | C3 | C2 | O2 | 121.2° | 102.2° |
O3 | C3 | C2 | C1 | 127.2° | 139.6° |
O3 | C3 | C4 | O4 | 148.9° | 116.6° |
H3 | C3 | O3 | HO3 | 86.0° | 57.5° |
H3 | C3 | C2 | H2 | 127.2° | 144.0° |
H3 | C3 | C2 | O2 | 3.7° | 20.4° |
H3 | C3 | C2 | C1 | 108.0° | 97.8° |
H3 | C3 | C4 | O4 | 86.3° | 120.9° |
HO3 | O3 | C3 | C2 | 147.9° | 65.3° |
C3 | C2 | H2 | O2 | 120.6° | 123.6° |
C3 | C2 | H2 | C1 | 118.5° | 112.7° |
C3 | C2 | O2 | C1 | 109.1° | 112.7° |
C3 | C2 | O2 | HO2 | 25.2° | 180.0° |
C3 | C2 | C1 | O4 | 9.3° | 37.0° |
C3 | C2 | C1 | O1 | 125.2° | 155.5° |
C2 | C3 | C4 | O4 | 39.3° | 2.1° |
C3 | C2 | C1 | H1 | 128.6° | 81.5° |
H2 | C2 | O2 | C1 | 125.4° | 123.7° |
H2 | C2 | O2 | HO2 | 100.3° | 56.4° |
H2 | C2 | C1 | O4 | 134.3° | 81.2° |
H2 | C2 | C1 | O1 | 0.2° | 37.3° |
H2 | C2 | C1 | H1 | 106.4° | 160.3° |
O2 | C2 | C1 | O4 | 102.1° | 155.2° |
O2 | C2 | C1 | O1 | 123.4° | 86.3° |
O2 | C2 | C1 | H1 | 17.2° | 36.7° |
HO2 | O2 | C2 | C1 | 134.3° | 67.3° |
C2 | C1 | O4 | O1 | 136.5° | 118.5° |
C2 | C1 | O4 | H1 | 116.0° | 118.5° |
C2 | C1 | O1 | H1 | 112.4° | 122.9° |
C2 | C1 | O4 | C4 | 35.2° | 40.0° |
C2 | C1 | O1 | HO1 | 104.4° | 179.9° |
O4 | C1 | O1 | H1 | 116.9° | 123.0° |
O4 | C1 | O1 | HO1 | 124.9° | 66.0° |
O1 | C1 | O4 | C4 | 101.3° | 158.5° |
C4 | O4 | C1 | H1 | 151.2° | 78.4° |
H1 | C1 | O1 | HO1 | 8.0° | 57.0° |