EHM
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O4 | C4 | sing | 1.42Å | 1.43Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
C4 | C3 | sing | 1.53Å | 1.53Å | |
C4 | H41 | sing | 1.09Å | 1.10Å | |
C4 | H42 | sing | 1.09Å | 1.10Å | |
C3 | O3 | sing | 1.43Å | 1.43Å | |
C3 | C2 | sing | 1.53Å | 1.54Å | |
C3 | H3 | sing | 1.10Å | 1.10Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
C2 | O2 | sing | 1.42Å | 1.42Å | |
C2 | C1 | sing | 1.52Å | 1.50Å | |
C2 | H2 | sing | 1.10Å | 1.10Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
C1 | O1 | doub | 1.23Å | 1.23Å | |
C1 | N | sing | 1.37Å | 1.33Å | |
N | ON | sing | 1.40Å | 1.40Å | |
N | HN | sing | 1.01Å | 1.00Å | |
ON | HON | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C4 | O4 | HO4 | 109.5° | 106.6° |
O4 | C4 | C3 | 109.4° | 109.9° |
O4 | C4 | H41 | 109.5° | 107.1° |
O4 | C4 | H42 | 109.5° | 107.9° |
C3 | C4 | H41 | 109.5° | 111.6° |
C3 | C4 | H42 | 109.5° | 111.5° |
C4 | C3 | O3 | 109.8° | 108.2° |
C4 | C3 | C2 | 112.1° | 112.2° |
C4 | C3 | H3 | 107.4° | 109.7° |
H41 | C4 | H42 | 109.4° | 108.8° |
O3 | C3 | C2 | 109.2° | 109.4° |
O3 | C3 | H3 | 110.4° | 106.4° |
C3 | O3 | HO3 | 109.5° | 106.3° |
C2 | C3 | H3 | 108.0° | 110.8° |
C3 | C2 | O2 | 111.1° | 109.6° |
C3 | C2 | C1 | 109.6° | 111.8° |
C3 | C2 | H2 | 108.3° | 109.8° |
O2 | C2 | C1 | 109.6° | 109.0° |
O2 | C2 | H2 | 108.3° | 107.9° |
C2 | O2 | HO2 | 109.5° | 106.9° |
C1 | C2 | H2 | 109.9° | 108.6° |
C2 | C1 | O1 | 120.4° | 122.5° |
C2 | C1 | N | 116.6° | 112.6° |
O1 | C1 | N | 123.0° | 125.0° |
C1 | N | ON | 118.8° | 116.0° |
C1 | N | HN | 120.6° | 122.0° |
ON | N | HN | 120.6° | 122.0° |
N | ON | HON | 109.5° | 100.1° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O4 | C4 | C3 | H41 | 120.0° | 118.6° |
O4 | C4 | C3 | H42 | 120.0° | 119.6° |
O4 | C4 | H41 | H42 | 120.1° | 116.4° |
O4 | C4 | C3 | O3 | 52.8° | 60.6° |
O4 | C4 | C3 | C2 | 68.7° | 178.6° |
O4 | C4 | C3 | H3 | 172.8° | 55.1° |
HO4 | O4 | C4 | C3 | 166.4° | 127.6° |
HO4 | O4 | C4 | H41 | 46.4° | 6.3° |
HO4 | O4 | C4 | H42 | 73.6° | 110.7° |
C3 | C4 | H41 | H42 | 120.0° | 123.4° |
C4 | C3 | O3 | C2 | 123.2° | 122.5° |
C4 | C3 | O3 | H3 | 118.2° | 117.8° |
C4 | C3 | C2 | H3 | 118.1° | 122.9° |
C4 | C3 | O3 | HO3 | 30.1° | 89.7° |
C4 | C3 | C2 | O2 | 63.1° | 62.0° |
C4 | C3 | C2 | C1 | 175.7° | 177.1° |
C4 | C3 | C2 | H2 | 55.8° | 56.5° |
H41 | C4 | C3 | O3 | 172.8° | 179.1° |
H41 | C4 | C3 | C2 | 51.3° | 60.0° |
H41 | C4 | C3 | H3 | 67.2° | 63.5° |
H42 | C4 | C3 | O3 | 67.2° | 59.0° |
H42 | C4 | C3 | C2 | 171.3° | 61.8° |
H42 | C4 | C3 | H3 | 52.8° | 174.6° |
O3 | C3 | C2 | H3 | 120.0° | 117.0° |
O3 | C3 | C2 | O2 | 175.1° | 177.9° |
O3 | C3 | C2 | C1 | 53.9° | 57.0° |
O3 | C3 | C2 | H2 | 66.1° | 63.7° |
C2 | C3 | O3 | HO3 | 93.1° | 32.8° |
C3 | C2 | O2 | C1 | 121.2° | 122.6° |
C3 | C2 | O2 | H2 | 118.9° | 119.6° |
C3 | C2 | C1 | H2 | 118.9° | 121.3° |
C3 | C2 | O2 | HO2 | 94.8° | 55.4° |
C3 | C2 | C1 | O1 | 38.5° | 59.2° |
C3 | C2 | C1 | N | 141.4° | 121.4° |
H3 | C3 | O3 | HO3 | 148.3° | 152.5° |
H3 | C3 | C2 | O2 | 55.0° | 60.9° |
H3 | C3 | C2 | C1 | 66.2° | 60.0° |
H3 | C3 | C2 | H2 | 173.9° | 179.4° |
O2 | C2 | C1 | H2 | 118.9° | 117.4° |
O2 | C2 | C1 | O1 | 83.6° | 62.1° |
O2 | C2 | C1 | N | 96.5° | 117.3° |
C1 | C2 | O2 | HO2 | 26.4° | 67.2° |
C2 | C1 | O1 | N | 179.9° | 179.3° |
C2 | C1 | N | ON | 170.7° | 179.4° |
C2 | C1 | N | HN | 9.3° | 0.6° |
H2 | C2 | O2 | HO2 | 146.3° | 175.0° |
H2 | C2 | C1 | O1 | 157.5° | 179.4° |
H2 | C2 | C1 | N | 22.5° | 0.0° |
O1 | C1 | N | ON | 9.4° | 0.0° |
O1 | C1 | N | HN | 170.7° | 180.0° |
C1 | N | ON | HN | 180.0° | 180.0° |
C1 | N | ON | HON | 52.6° | 95.8° |
HN | N | ON | HON | 127.4° | 84.2° |