Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | O5 | sing | 1.43Å | 1.41Å | |
C1 | C2 | sing | 1.53Å | 1.52Å | |
C2 | C3 | sing | 1.53Å | 1.53Å | |
C2 | O2 | sing | 1.43Å | 1.41Å | |
C3 | O3 | sing | 1.43Å | 1.42Å | |
C3 | C4 | sing | 1.53Å | 1.52Å | |
C4 | N4 | sing | 1.47Å | 1.42Å | |
C4 | C5 | sing | 1.53Å | 1.54Å | |
C5 | O5 | sing | 1.43Å | 1.43Å | |
C5 | C6 | sing | 1.53Å | 1.51Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C6 | H61 | sing | 1.09Å | 1.10Å | |
C6 | H62 | sing | 1.09Å | 1.10Å | |
C6 | H63 | sing | 1.09Å | 1.10Å | |
N4 | HN41 | sing | 1.01Å | 1.00Å | |
N4 | HN42 | sing | 1.01Å | 1.00Å | |
C1 | O1 | sing | 1.43Å | 1.39Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O5 | C1 | C2 | 110.5° | 109.4° |
C1 | O5 | C5 | 116.8° | 114.1° |
O5 | C1 | H1 | 109.6° | 109.5° |
O5 | C1 | O1 | 108.7° | 109.5° |
C1 | C2 | C3 | 113.3° | 109.2° |
C1 | C2 | O2 | 109.5° | 109.5° |
C2 | C1 | H1 | 108.1° | 109.5° |
C1 | C2 | H2 | 107.1° | 109.5° |
C2 | C1 | O1 | 110.1° | 109.5° |
C3 | C2 | O2 | 111.2° | 109.5° |
C2 | C3 | O3 | 108.0° | 109.6° |
C2 | C3 | C4 | 111.2° | 109.1° |
C3 | C2 | H2 | 107.0° | 109.5° |
C2 | C3 | H3 | 108.2° | 109.6° |
O2 | C2 | H2 | 108.5° | 109.6° |
C2 | O2 | HO2 | 109.5° | 114.0° |
O3 | C3 | C4 | 111.2° | 109.5° |
O3 | C3 | H3 | 109.8° | 109.5° |
C3 | O3 | HO3 | 109.5° | 114.0° |
C3 | C4 | N4 | 116.6° | 109.5° |
C3 | C4 | C5 | 106.3° | 109.1° |
C4 | C3 | H3 | 108.4° | 109.6° |
C3 | C4 | H4 | 106.4° | 109.5° |
N4 | C4 | C5 | 113.2° | 109.5° |
N4 | C4 | H4 | 107.6° | 109.6° |
C4 | N4 | HN41 | 109.5° | 111.0° |
C4 | N4 | HN42 | 109.5° | 111.0° |
C4 | C5 | O5 | 109.8° | 109.4° |
C4 | C5 | C6 | 115.4° | 109.4° |
C5 | C4 | H4 | 106.1° | 109.6° |
C4 | C5 | H5 | 107.8° | 109.5° |
O5 | C5 | C6 | 106.5° | 109.5° |
O5 | C5 | H5 | 109.2° | 109.5° |
C6 | C5 | H5 | 108.1° | 109.5° |
C5 | C6 | H61 | 109.5° | 109.5° |
C5 | C6 | H62 | 109.5° | 109.5° |
C5 | C6 | H63 | 109.5° | 109.5° |
H1 | C1 | O1 | 109.9° | 109.5° |
H61 | C6 | H62 | 109.5° | 109.4° |
H61 | C6 | H63 | 109.4° | 109.5° |
H62 | C6 | H63 | 109.4° | 109.5° |
HN41 | N4 | HN42 | 109.4° | 111.0° |
C1 | O1 | HO1 | 109.5° | 114.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O5 | C1 | C2 | H1 | 119.9° | 120.0° |
O5 | C1 | C2 | O1 | 120.0° | 120.0° |
O5 | C1 | C2 | C3 | 46.0° | 57.6° |
O5 | C1 | C2 | O2 | 170.8° | 177.5° |
C1 | O5 | C5 | C4 | 62.0° | 61.2° |
C1 | O5 | C5 | C6 | 172.4° | 178.9° |
O5 | C1 | H1 | O1 | 119.3° | 120.0° |
O5 | C1 | C2 | H2 | 71.8° | 62.3° |
C1 | O5 | C5 | H5 | 55.9° | 58.8° |
O5 | C1 | O1 | HO1 | 180.0° | 60.1° |
C1 | C2 | C3 | O2 | 123.8° | 119.9° |
C1 | C2 | C3 | H2 | 117.9° | 119.9° |
C1 | C2 | O2 | H2 | 116.6° | 120.1° |
C1 | C2 | C3 | O3 | 173.3° | 176.9° |
C1 | C2 | C3 | C4 | 51.0° | 57.0° |
C2 | C1 | O5 | C5 | 53.0° | 61.2° |
C2 | C1 | H1 | O1 | 120.2° | 120.0° |
C1 | C2 | O2 | HO2 | 180.0° | 59.9° |
C1 | C2 | C3 | H3 | 67.9° | 63.0° |
C2 | C1 | O1 | HO1 | 58.9° | 180.0° |
C3 | C2 | O2 | H2 | 117.4° | 120.2° |
C2 | C3 | O3 | C4 | 122.3° | 119.6° |
C2 | C3 | O3 | H3 | 117.8° | 120.2° |
C2 | C3 | C4 | H3 | 118.8° | 120.0° |
C2 | C3 | C4 | N4 | 176.5° | 176.9° |
C2 | C3 | C4 | C5 | 56.2° | 57.0° |
C3 | C2 | C1 | H1 | 165.9° | 177.6° |
C3 | C2 | O2 | HO2 | 54.0° | 179.6° |
C2 | C3 | O3 | HO3 | 180.0° | 59.9° |
C2 | C3 | C4 | H4 | 56.5° | 62.9° |
C3 | C2 | C1 | O1 | 74.1° | 62.4° |
O2 | C2 | C3 | O3 | 62.9° | 63.2° |
O2 | C2 | C3 | C4 | 174.8° | 176.9° |
O2 | C2 | C1 | H1 | 69.4° | 62.5° |
O2 | C2 | C3 | H3 | 55.9° | 56.9° |
O2 | C2 | C1 | O1 | 50.7° | 57.6° |
O3 | C3 | C4 | H3 | 120.7° | 120.1° |
O3 | C3 | C4 | N4 | 56.1° | 63.2° |
O3 | C3 | C4 | C5 | 176.7° | 176.9° |
O3 | C3 | C2 | H2 | 55.4° | 56.9° |
O3 | C3 | C4 | H4 | 63.9° | 56.9° |
C3 | C4 | N4 | C5 | 123.7° | 119.6° |
C3 | C4 | N4 | H4 | 119.3° | 120.2° |
C3 | C4 | C5 | H4 | 112.9° | 119.9° |
C3 | C4 | C5 | O5 | 60.4° | 57.6° |
C3 | C4 | C5 | C6 | 179.3° | 177.5° |
C4 | C3 | C2 | H2 | 66.9° | 62.9° |
C4 | C3 | O3 | HO3 | 57.7° | 179.5° |
C3 | C4 | C5 | H5 | 58.4° | 62.4° |
C3 | C4 | N4 | HN41 | 180.0° | 180.0° |
C3 | C4 | N4 | HN42 | 60.0° | 56.0° |
N4 | C4 | C5 | H4 | 117.8° | 120.2° |
N4 | C4 | C5 | O5 | 170.3° | 177.5° |
N4 | C4 | C5 | C6 | 50.0° | 62.6° |
N4 | C4 | C3 | H3 | 64.6° | 56.9° |
N4 | C4 | C5 | H5 | 70.8° | 57.5° |
C4 | N4 | HN41 | HN42 | 120.0° | 123.9° |
C4 | C5 | O5 | C6 | 125.5° | 119.9° |
C4 | C5 | O5 | H5 | 118.0° | 120.0° |
C4 | C5 | C6 | H5 | 120.7° | 120.1° |
C5 | C4 | C3 | H3 | 62.6° | 63.0° |
C4 | C5 | C6 | H61 | 180.0° | 60.0° |
C4 | C5 | C6 | H62 | 60.0° | 180.0° |
C4 | C5 | C6 | H63 | 60.0° | 60.0° |
C5 | C4 | N4 | HN41 | 56.3° | 60.3° |
C5 | C4 | N4 | HN42 | 63.7° | 63.6° |
O5 | C5 | C6 | H5 | 117.3° | 120.0° |
C5 | O5 | C1 | H1 | 172.0° | 178.8° |
O5 | C5 | C4 | H4 | 52.5° | 62.3° |
O5 | C5 | C6 | H61 | 57.9° | 59.9° |
O5 | C5 | C6 | H62 | 178.0° | 60.1° |
O5 | C5 | C6 | H63 | 62.1° | 179.9° |
C5 | O5 | C1 | O1 | 67.9° | 58.8° |
C6 | C5 | C4 | H4 | 67.8° | 57.6° |
C5 | C6 | H61 | H62 | 120.0° | 120.0° |
C5 | C6 | H61 | H63 | 120.0° | 120.0° |
C5 | C6 | H62 | H63 | 120.0° | 120.0° |
H1 | C1 | C2 | H2 | 48.1° | 57.7° |
H1 | C1 | O1 | HO1 | 60.1° | 60.0° |
H2 | C2 | O2 | HO2 | 63.4° | 60.2° |
H2 | C2 | C3 | H3 | 174.2° | 177.1° |
H2 | C2 | C1 | O1 | 168.1° | 177.7° |
H3 | C3 | O3 | HO3 | 62.2° | 60.3° |
H3 | C3 | C4 | H4 | 175.4° | 177.1° |
H4 | C4 | C5 | H5 | 171.3° | 177.7° |
H4 | C4 | N4 | HN41 | 60.7° | 59.9° |
H4 | C4 | N4 | HN42 | 179.3° | 176.2° |
H5 | C5 | C6 | H61 | 59.4° | 179.9° |
H5 | C5 | C6 | H62 | 60.7° | 60.0° |
H5 | C5 | C6 | H63 | 179.3° | 60.0° |
H61 | C6 | H62 | H63 | 120.0° | 120.0° |