AGL
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.53Å | 1.56Å | |
C1 | O1 | sing | 1.43Å | 1.41Å | |
C1 | O5 | sing | 1.43Å | 1.42Å | |
C1 | H1 | sing | 1.09Å | 1.12Å | |
C2 | C3 | sing | 1.53Å | 1.55Å | |
C2 | O2 | sing | 1.43Å | 1.41Å | |
C2 | H2 | sing | 1.09Å | 1.12Å | |
C3 | C4 | sing | 1.53Å | 1.55Å | |
C3 | O3 | sing | 1.43Å | 1.41Å | |
C3 | H3 | sing | 1.09Å | 1.11Å | |
C4 | C5 | sing | 1.53Å | 1.55Å | |
C4 | N4 | sing | 1.47Å | 1.48Å | |
C4 | H4 | sing | 1.09Å | 1.12Å | |
C5 | C6 | sing | 1.53Å | 1.53Å | |
C5 | O5 | sing | 1.43Å | 1.43Å | |
C5 | H5 | sing | 1.09Å | 1.11Å | |
C6 | H61 | sing | 1.09Å | 1.12Å | |
C6 | H62 | sing | 1.09Å | 1.11Å | |
C6 | H63 | sing | 1.09Å | 1.12Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
N4 | HN41 | sing | 1.01Å | 1.02Å | |
N4 | HN42 | sing | 1.01Å | 1.02Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | O1 | 110.8° | 109.4° |
C2 | C1 | O5 | 113.5° | 109.8° |
C2 | C1 | H1 | 105.2° | 109.4° |
C1 | C2 | C3 | 112.9° | 109.0° |
C1 | C2 | O2 | 108.5° | 109.5° |
C1 | C2 | H2 | 108.0° | 109.5° |
O1 | C1 | O5 | 108.0° | 109.4° |
O1 | C1 | H1 | 111.0° | 109.4° |
C1 | O1 | HO1 | 110.8° | 106.8° |
O5 | C1 | H1 | 108.3° | 109.4° |
C1 | O5 | C5 | 115.3° | 107.6° |
C3 | C2 | O2 | 110.0° | 109.7° |
C3 | C2 | H2 | 106.5° | 109.6° |
C2 | C3 | C4 | 108.7° | 108.7° |
C2 | C3 | O3 | 108.3° | 109.6° |
C2 | C3 | H3 | 110.6° | 109.6° |
O2 | C2 | H2 | 111.1° | 109.6° |
C2 | O2 | HO2 | 108.5° | 106.8° |
C4 | C3 | O3 | 109.4° | 109.7° |
C4 | C3 | H3 | 109.7° | 109.6° |
C3 | C4 | C5 | 107.4° | 109.1° |
C3 | C4 | N4 | 110.7° | 109.6° |
C3 | C4 | H4 | 110.0° | 109.5° |
O3 | C3 | H3 | 110.1° | 109.5° |
C3 | O3 | HO3 | 108.3° | 106.8° |
C5 | C4 | N4 | 109.4° | 109.5° |
C5 | C4 | H4 | 111.2° | 109.6° |
C4 | C5 | C6 | 110.5° | 109.5° |
C4 | C5 | O5 | 108.8° | 109.8° |
C4 | C5 | H5 | 109.2° | 109.4° |
N4 | C4 | H4 | 108.0° | 109.5° |
C4 | N4 | HN41 | 110.7° | 106.7° |
C4 | N4 | HN42 | 111.7° | 106.7° |
C6 | C5 | O5 | 109.3° | 109.5° |
C6 | C5 | H5 | 108.7° | 109.4° |
C5 | C6 | H61 | 110.5° | 109.5° |
C5 | C6 | H62 | 111.8° | 109.5° |
C5 | C6 | H63 | 111.8° | 109.4° |
O5 | C5 | H5 | 110.4° | 109.3° |
H61 | C6 | H62 | 111.8° | 109.5° |
H61 | C6 | H63 | 111.8° | 109.4° |
H62 | C6 | H63 | 98.6° | 109.4° |
HN41 | N4 | HN42 | 111.8° | 106.7° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | O1 | O5 | 124.9° | 120.3° |
C2 | C1 | O1 | H1 | 116.6° | 119.9° |
C2 | C1 | O5 | H1 | 116.4° | 120.1° |
C1 | C2 | C3 | O2 | 121.3° | 119.9° |
C1 | C2 | C3 | H2 | 118.3° | 119.8° |
C1 | C2 | O2 | H2 | 118.5° | 120.1° |
C1 | C2 | C3 | C4 | 49.0° | 53.8° |
C1 | C2 | C3 | O3 | 167.7° | 173.7° |
C1 | C2 | C3 | H3 | 71.5° | 66.1° |
C2 | C1 | O5 | C5 | 50.3° | 67.6° |
C2 | C1 | O1 | HO1 | 180.0° | 179.7° |
C1 | C2 | O2 | HO2 | 180.0° | 60.0° |
O1 | C1 | O5 | H1 | 120.3° | 119.9° |
O1 | C1 | C2 | C3 | 78.3° | 58.8° |
O1 | C1 | C2 | O2 | 43.9° | 61.1° |
O1 | C1 | C2 | H2 | 164.3° | 178.6° |
O1 | C1 | O5 | C5 | 73.0° | 52.5° |
O5 | C1 | C2 | C3 | 43.5° | 61.3° |
O5 | C1 | C2 | O2 | 165.6° | 178.8° |
O5 | C1 | C2 | H2 | 74.0° | 58.6° |
C1 | O5 | C5 | C4 | 61.5° | 67.5° |
C1 | O5 | C5 | C6 | 177.7° | 172.3° |
C1 | O5 | C5 | H5 | 58.3° | 52.5° |
O5 | C1 | O1 | HO1 | 55.1° | 60.0° |
H1 | C1 | C2 | C3 | 161.7° | 178.7° |
H1 | C1 | C2 | O2 | 76.2° | 58.8° |
H1 | C1 | C2 | H2 | 44.3° | 61.5° |
H1 | C1 | O5 | C5 | 166.8° | 172.4° |
H1 | C1 | O1 | HO1 | 63.4° | 59.8° |
C3 | C2 | O2 | H2 | 117.6° | 120.3° |
C2 | C3 | C4 | O3 | 118.1° | 119.9° |
C2 | C3 | C4 | H3 | 121.1° | 119.8° |
C2 | C3 | O3 | H3 | 121.1° | 120.3° |
C2 | C3 | C4 | C5 | 59.1° | 53.8° |
C2 | C3 | C4 | N4 | 178.5° | 173.7° |
C2 | C3 | C4 | H4 | 62.1° | 66.1° |
C3 | C2 | O2 | HO2 | 56.1° | 179.6° |
C2 | C3 | O3 | HO3 | 180.0° | 59.9° |
O2 | C2 | C3 | C4 | 170.3° | 173.6° |
O2 | C2 | C3 | O3 | 71.0° | 66.4° |
O2 | C2 | C3 | H3 | 49.8° | 53.8° |
H2 | C2 | C3 | C4 | 69.3° | 66.0° |
H2 | C2 | C3 | O3 | 49.4° | 53.9° |
H2 | C2 | C3 | H3 | 170.2° | 174.1° |
H2 | C2 | O2 | HO2 | 61.5° | 60.1° |
C4 | C3 | O3 | H3 | 120.6° | 120.4° |
C3 | C4 | C5 | N4 | 120.2° | 119.9° |
C3 | C4 | C5 | H4 | 120.5° | 119.9° |
C3 | C4 | N4 | H4 | 120.5° | 120.2° |
C3 | C4 | C5 | C6 | 175.0° | 178.6° |
C3 | C4 | C5 | O5 | 65.0° | 61.2° |
C3 | C4 | C5 | H5 | 55.5° | 58.7° |
C4 | C3 | O3 | HO3 | 61.6° | 179.2° |
C3 | C4 | N4 | HN41 | 180.0° | 180.0° |
C3 | C4 | N4 | HN42 | 54.7° | 66.2° |
O3 | C3 | C4 | C5 | 177.2° | 173.7° |
O3 | C3 | C4 | N4 | 63.3° | 66.4° |
O3 | C3 | C4 | H4 | 56.0° | 53.8° |
H3 | C3 | C4 | C5 | 61.9° | 66.0° |
H3 | C3 | C4 | N4 | 57.5° | 53.9° |
H3 | C3 | C4 | H4 | 176.8° | 174.1° |
H3 | C3 | O3 | HO3 | 58.9° | 60.4° |
C5 | C4 | N4 | H4 | 121.3° | 120.2° |
C4 | C5 | C6 | O5 | 119.7° | 120.4° |
C4 | C5 | C6 | H5 | 119.8° | 119.9° |
C4 | C5 | O5 | H5 | 119.8° | 120.0° |
C4 | C5 | C6 | H61 | 180.0° | 179.9° |
C4 | C5 | C6 | H62 | 54.8° | 59.8° |
C4 | C5 | C6 | H63 | 54.8° | 60.2° |
C5 | C4 | N4 | HN41 | 61.8° | 60.4° |
C5 | C4 | N4 | HN42 | 172.9° | 53.4° |
N4 | C4 | C5 | C6 | 54.8° | 58.6° |
N4 | C4 | C5 | O5 | 174.8° | 178.8° |
N4 | C4 | C5 | H5 | 64.7° | 61.2° |
C4 | N4 | HN41 | HN42 | 125.3° | 113.8° |
H4 | C4 | C5 | C6 | 64.5° | 61.5° |
H4 | C4 | C5 | O5 | 55.4° | 58.7° |
H4 | C4 | C5 | H5 | 176.0° | 178.6° |
H4 | C4 | N4 | HN41 | 59.5° | 59.8° |
H4 | C4 | N4 | HN42 | 65.9° | 173.5° |
C6 | C5 | O5 | H5 | 119.4° | 119.8° |
C5 | C6 | H61 | H62 | 125.2° | 120.1° |
C5 | C6 | H61 | H63 | 125.2° | 120.0° |
C5 | C6 | H62 | H63 | 117.7° | 120.0° |
O5 | C5 | C6 | H61 | 60.3° | 59.8° |
O5 | C5 | C6 | H62 | 174.4° | 179.8° |
O5 | C5 | C6 | H63 | 64.9° | 60.2° |
H5 | C5 | C6 | H61 | 60.2° | 60.0° |
H5 | C5 | C6 | H62 | 65.1° | 60.1° |
H5 | C5 | C6 | H63 | 174.6° | 180.0° |
H61 | C6 | H62 | H63 | 117.7° | 119.9° |