HYA
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.51Å | 1.54Å | |
C1 | N | doub | 1.28Å | 1.35Å | |
C1 | O1 | sing | 1.35Å | 1.35Å | |
C2 | C3 | sing | 1.53Å | 1.54Å | |
C2 | O2 | sing | 1.43Å | 1.42Å | |
C2 | H2 | sing | 1.09Å | 1.11Å | |
C3 | C4 | sing | 1.53Å | 1.52Å | |
C3 | O3 | sing | 1.43Å | 1.40Å | |
C3 | H3 | sing | 1.09Å | 1.12Å | |
C4 | O4 | sing | 1.43Å | 1.40Å | |
C4 | H41 | sing | 1.09Å | 1.11Å | |
C4 | H42 | sing | 1.09Å | 1.11Å | |
N | O | sing | 1.42Å | 1.40Å | |
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 | |
O | HO | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | N | 123.7° | 120.0° |
C2 | C1 | O1 | 116.4° | 120.0° |
C1 | C2 | C3 | 113.0° | 109.5° |
C1 | C2 | O2 | 111.0° | 109.5° |
C1 | C2 | H2 | 106.6° | 109.5° |
N | C1 | O1 | 119.8° | 120.0° |
C1 | N | O | 119.6° | 120.0° |
C1 | O1 | HO1 | 116.4° | 106.8° |
C3 | C2 | O2 | 111.6° | 109.5° |
C3 | C2 | H2 | 106.0° | 109.5° |
C2 | C3 | C4 | 116.2° | 109.5° |
C2 | C3 | O3 | 111.4° | 109.5° |
C2 | C3 | H3 | 103.1° | 109.4° |
O2 | C2 | H2 | 108.3° | 109.5° |
C2 | O2 | HO2 | 111.0° | 106.9° |
C4 | C3 | O3 | 109.3° | 109.5° |
C4 | C3 | H3 | 105.5° | 109.5° |
C3 | C4 | O4 | 107.4° | 109.5° |
C3 | C4 | H41 | 113.0° | 109.5° |
C3 | C4 | H42 | 113.0° | 109.4° |
O3 | C3 | H3 | 110.9° | 109.5° |
C3 | O3 | HO3 | 111.3° | 106.8° |
O4 | C4 | H41 | 113.0° | 109.5° |
O4 | C4 | H42 | 113.0° | 109.5° |
C4 | O4 | HO4 | 107.4° | 106.8° |
H41 | C4 | H42 | 97.6° | 109.5° |
N | O | HO | 119.6° | 106.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | N | O1 | 176.1° | 180.0° |
C1 | C2 | C3 | O2 | 126.0° | 120.0° |
C1 | C2 | C3 | H2 | 116.4° | 120.0° |
C1 | C2 | O2 | H2 | 116.6° | 120.0° |
C1 | C2 | C3 | C4 | 156.0° | 175.0° |
C1 | C2 | C3 | O3 | 77.9° | 55.0° |
C1 | C2 | C3 | H3 | 41.1° | 65.0° |
C2 | C1 | N | O | 170.1° | 180.0° |
C2 | C1 | O1 | HO1 | 180.0° | 180.0° |
C1 | C2 | O2 | HO2 | 180.0° | 60.0° |
N | C1 | C2 | C3 | 153.5° | 125.0° |
N | C1 | C2 | O2 | 80.2° | 115.0° |
N | C1 | C2 | H2 | 37.5° | 5.0° |
N | C1 | O1 | HO1 | 3.6° | 0.0° |
C1 | N | O | HO | 180.0° | 179.9° |
O1 | C1 | C2 | C3 | 30.2° | 55.0° |
O1 | C1 | C2 | O2 | 96.0° | 65.0° |
O1 | C1 | C2 | H2 | 146.3° | 175.0° |
O1 | C1 | N | O | 13.8° | 0.0° |
C3 | C2 | O2 | H2 | 116.3° | 120.0° |
C2 | C3 | C4 | O3 | 127.1° | 120.0° |
C2 | C3 | C4 | H3 | 113.5° | 120.0° |
C2 | C3 | O3 | H3 | 114.3° | 120.0° |
C2 | C3 | C4 | O4 | 67.6° | 175.0° |
C2 | C3 | C4 | H41 | 57.6° | 64.9° |
C2 | C3 | C4 | H42 | 167.2° | 55.0° |
C3 | C2 | O2 | HO2 | 52.9° | 60.0° |
C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
O2 | C2 | C3 | C4 | 78.0° | 55.0° |
O2 | C2 | C3 | O3 | 48.1° | 65.0° |
O2 | C2 | C3 | H3 | 167.1° | 175.0° |
H2 | C2 | C3 | C4 | 39.6° | 65.0° |
H2 | C2 | C3 | O3 | 165.7° | 175.0° |
H2 | C2 | C3 | H3 | 75.3° | 55.0° |
H2 | C2 | O2 | HO2 | 63.3° | 180.0° |
C4 | C3 | O3 | H3 | 115.9° | 120.0° |
C3 | C4 | O4 | H41 | 125.2° | 120.1° |
C3 | C4 | O4 | H42 | 125.2° | 119.9° |
C3 | C4 | H41 | H42 | 118.9° | 119.9° |
C4 | C3 | O3 | HO3 | 50.2° | 60.0° |
C3 | C4 | O4 | HO4 | 180.0° | 180.0° |
O3 | C3 | C4 | O4 | 165.3° | 65.0° |
O3 | C3 | C4 | H41 | 69.5° | 55.0° |
O3 | C3 | C4 | H42 | 40.1° | 175.0° |
H3 | C3 | C4 | O4 | 45.9° | 55.0° |
H3 | C3 | C4 | H41 | 171.2° | 175.1° |
H3 | C3 | C4 | H42 | 79.3° | 65.0° |
H3 | C3 | O3 | HO3 | 65.7° | 180.0° |
O4 | C4 | H41 | H42 | 118.9° | 120.0° |
H41 | C4 | O4 | HO4 | 54.8° | 60.0° |
H42 | C4 | O4 | HO4 | 54.8° | 60.1° |