HHA
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O1 | C | sing | 1.35Å | 1.25Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å | |
C | O2 | doub | 1.22Å | 1.27Å | |
C | C1 | sing | 1.42Å | 1.51Å | |
C1 | C6 | doub | 1.35Å | 1.44Å | |
C1 | C2 | sing | 1.51Å | 1.51Å | |
C6 | C5 | sing | 1.46Å | 1.39Å | |
C6 | H6 | sing | 1.08Å | 1.10Å | |
C5 | C4 | doub | 1.33Å | 1.41Å | |
C5 | H5 | sing | 1.08Å | 1.10Å | |
C4 | C3 | sing | 1.51Å | 1.53Å | |
C4 | H4 | sing | 1.08Å | 1.10Å | |
C3 | O3' | sing | 1.43Å | 1.42Å | |
C3 | C2 | sing | 1.53Å | 1.50Å | |
C3 | H3 | sing | 1.09Å | 1.12Å | |
O3' | H3' | sing | 0.97Å | 0.95Å | |
C2 | N2 | sing | 1.47Å | 1.49Å | |
C2 | H2 | sing | 1.09Å | 1.11Å | |
N2 | HN21 | sing | 1.01Å | 1.02Å | |
N2 | HN22 | sing | 1.01Å | 1.02Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C | O1 | HO1 | 120.7° | 106.8° |
O1 | C | O2 | 120.7° | 120.1° |
O1 | C | C1 | 118.8° | 120.0° |
O2 | C | C1 | 120.3° | 120.0° |
C | C1 | C6 | 119.8° | 120.0° |
C | C1 | C2 | 118.5° | 119.9° |
C6 | C1 | C2 | 118.7° | 120.1° |
C1 | C6 | C5 | 120.5° | 119.5° |
C1 | C6 | H6 | 121.5° | 120.3° |
C1 | C2 | C3 | 112.9° | 109.8° |
C1 | C2 | N2 | 113.9° | 109.4° |
C1 | C2 | H2 | 105.4° | 109.4° |
C5 | C6 | H6 | 118.0° | 120.2° |
C6 | C5 | C4 | 121.9° | 119.8° |
C6 | C5 | H5 | 118.2° | 120.1° |
C4 | C5 | H5 | 119.9° | 120.1° |
C5 | C4 | C3 | 116.6° | 120.4° |
C5 | C4 | H4 | 117.9° | 119.8° |
C3 | C4 | H4 | 125.5° | 119.8° |
C4 | C3 | O3' | 110.5° | 109.3° |
C4 | C3 | C2 | 110.7° | 110.1° |
C4 | C3 | H3 | 110.7° | 109.4° |
O3' | C3 | C2 | 116.3° | 109.4° |
O3' | C3 | H3 | 104.3° | 109.4° |
C3 | O3' | H3' | 110.5° | 106.7° |
C2 | C3 | H3 | 104.0° | 109.4° |
C3 | C2 | N2 | 114.2° | 109.4° |
C3 | C2 | H2 | 105.2° | 109.4° |
N2 | C2 | H2 | 104.0° | 109.4° |
C2 | N2 | HN21 | 110.6° | 106.7° |
C2 | N2 | HN22 | 113.9° | 106.7° |
HN21 | N2 | HN22 | 110.6° | 106.7° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C | O2 | C1 | 175.3° | 179.9° |
O1 | C | C1 | C6 | 171.0° | 180.0° |
O1 | C | C1 | C2 | 28.8° | 0.1° |
HO1 | O1 | C | O2 | 180.0° | 0.0° |
HO1 | O1 | C | C1 | 4.6° | 179.9° |
O2 | C | C1 | C6 | 4.3° | 0.1° |
O2 | C | C1 | C2 | 155.8° | 180.0° |
C | C1 | C6 | C2 | 160.1° | 179.9° |
C | C1 | C6 | C5 | 167.3° | 179.8° |
C | C1 | C6 | H6 | 12.7° | 0.0° |
C | C1 | C2 | C3 | 167.6° | 145.2° |
C | C1 | C2 | N2 | 35.2° | 94.8° |
C | C1 | C2 | H2 | 78.1° | 25.1° |
C1 | C6 | C5 | H6 | 180.0° | 179.9° |
C1 | C6 | C5 | C4 | 0.8° | 19.2° |
C1 | C6 | C5 | H5 | 179.1° | 160.8° |
C6 | C1 | C2 | C3 | 32.1° | 34.9° |
C6 | C1 | C2 | N2 | 164.4° | 85.1° |
C6 | C1 | C2 | H2 | 82.2° | 155.0° |
C2 | C1 | C6 | C5 | 7.2° | 0.3° |
C2 | C1 | C6 | H6 | 172.8° | 179.9° |
C1 | C2 | C3 | C4 | 48.2° | 49.9° |
C1 | C2 | C3 | O3' | 175.4° | 70.2° |
C1 | C2 | C3 | N2 | 132.2° | 120.1° |
C1 | C2 | C3 | H2 | 114.5° | 120.1° |
C1 | C2 | C3 | H3 | 70.7° | 170.1° |
C1 | C2 | N2 | H2 | 114.2° | 119.9° |
C1 | C2 | N2 | HN21 | 54.7° | 59.9° |
C1 | C2 | N2 | HN22 | 180.0° | 173.7° |
C6 | C5 | C4 | H5 | 180.0° | 180.0° |
C6 | C5 | C4 | C3 | 19.8° | 0.1° |
C6 | C5 | C4 | H4 | 160.3° | 179.8° |
H6 | C6 | C5 | C4 | 179.2° | 160.7° |
H6 | C6 | C5 | H5 | 0.9° | 19.3° |
C5 | C4 | C3 | H4 | 180.0° | 179.9° |
C5 | C4 | C3 | O3' | 173.7° | 85.1° |
C5 | C4 | C3 | C2 | 43.4° | 35.1° |
C5 | C4 | C3 | H3 | 71.3° | 155.2° |
H5 | C5 | C4 | C3 | 160.2° | 179.9° |
H5 | C5 | C4 | H4 | 19.8° | 0.2° |
C4 | C3 | O3' | C2 | 127.3° | 120.6° |
C4 | C3 | O3' | H3 | 118.9° | 119.7° |
C4 | C3 | C2 | H3 | 118.9° | 120.2° |
C4 | C3 | O3' | H3' | 180.0° | 59.5° |
C4 | C3 | C2 | N2 | 179.5° | 70.2° |
C4 | C3 | C2 | H2 | 66.3° | 170.0° |
H4 | C4 | C3 | O3' | 6.3° | 95.0° |
H4 | C4 | C3 | C2 | 136.6° | 144.9° |
H4 | C4 | C3 | H3 | 108.7° | 24.7° |
O3' | C3 | C2 | H3 | 114.0° | 119.7° |
O3' | C3 | C2 | N2 | 52.4° | 169.8° |
O3' | C3 | C2 | H2 | 60.9° | 49.9° |
C2 | C3 | O3' | H3' | 52.7° | 180.0° |
C3 | C2 | N2 | H2 | 114.0° | 119.8° |
C3 | C2 | N2 | HN21 | 173.5° | 179.8° |
C3 | C2 | N2 | HN22 | 48.2° | 66.0° |
H3 | C3 | O3' | H3' | 61.1° | 60.2° |
H3 | C3 | C2 | N2 | 61.6° | 50.0° |
H3 | C3 | C2 | H2 | 174.9° | 69.8° |
C2 | N2 | HN21 | HN22 | 127.2° | 113.8° |
H2 | C2 | N2 | HN21 | 59.5° | 60.0° |
H2 | C2 | N2 | HN22 | 65.8° | 53.8° |