IDG
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C5 | O5 | sing | 1.43Å | 1.44Å | |
C5 | C4 | sing | 1.53Å | 1.52Å | |
C5 | C6 | sing | 1.53Å | 1.53Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
O5 | C1 | sing | 1.43Å | 1.44Å | |
C1 | O1 | sing | 1.43Å | 1.44Å | |
C1 | C2 | sing | 1.53Å | 1.54Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å | |
C2 | N2 | sing | 1.47Å | 1.45Å | |
C2 | C3 | sing | 1.53Å | 1.53Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
N2 | HN21 | sing | 1.01Å | 0.98Å | |
N2 | HN22 | sing | 1.01Å | 0.98Å | |
C3 | O3 | sing | 1.43Å | 1.42Å | |
C3 | C4 | sing | 1.53Å | 1.53Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
O3 | HO3 | sing | 0.97Å | 0.96Å | |
C4 | O4 | sing | 1.43Å | 1.42Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
O4 | HO4 | sing | 0.97Å | 0.96Å | |
C6 | N6 | sing | 1.47Å | 1.45Å | |
C6 | H61 | sing | 1.09Å | 1.10Å | |
C6 | H62 | sing | 1.09Å | 1.10Å | |
N6 | HN61 | sing | 1.01Å | 0.98Å | |
N6 | HN62 | sing | 1.01Å | 0.98Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O5 | C5 | C4 | 109.6° | 109.8° |
O5 | C5 | C6 | 110.6° | 109.4° |
O5 | C5 | H5 | 107.8° | 109.4° |
C5 | O5 | C1 | 111.9° | 107.6° |
C4 | C5 | C6 | 110.9° | 109.4° |
C4 | C5 | H5 | 109.1° | 109.4° |
C5 | C4 | C3 | 109.6° | 109.0° |
C5 | C4 | O4 | 110.1° | 109.7° |
C5 | C4 | H4 | 108.7° | 109.5° |
C6 | C5 | H5 | 108.8° | 109.4° |
C5 | C6 | N6 | 110.4° | 109.5° |
C5 | C6 | H61 | 109.8° | 109.5° |
C5 | C6 | H62 | 106.6° | 109.4° |
O5 | C1 | O1 | 110.5° | 109.5° |
O5 | C1 | C2 | 110.7° | 109.8° |
O5 | C1 | H1 | 107.8° | 109.4° |
O1 | C1 | C2 | 110.3° | 109.4° |
O1 | C1 | H1 | 108.2° | 109.4° |
C1 | O1 | HO1 | 110.5° | 106.8° |
C2 | C1 | H1 | 109.3° | 109.4° |
C1 | C2 | N2 | 110.8° | 109.5° |
C1 | C2 | C3 | 113.0° | 109.0° |
C1 | C2 | H2 | 107.8° | 109.5° |
N2 | C2 | C3 | 110.5° | 109.6° |
N2 | C2 | H2 | 113.6° | 109.6° |
C2 | N2 | HN21 | 121.8° | 106.7° |
C2 | N2 | HN22 | 121.3° | 106.7° |
C3 | C2 | H2 | 100.9° | 109.5° |
C2 | C3 | O3 | 109.4° | 109.6° |
C2 | C3 | C4 | 112.3° | 108.6° |
C2 | C3 | H3 | 107.7° | 109.6° |
HN21 | N2 | HN22 | 107.4° | 106.6° |
O3 | C3 | C4 | 109.6° | 109.8° |
O3 | C3 | H3 | 110.2° | 109.6° |
C3 | O3 | HO3 | 111.1° | 106.8° |
C4 | C3 | H3 | 107.6° | 109.6° |
C3 | C4 | O4 | 110.0° | 109.6° |
C3 | C4 | H4 | 108.5° | 109.6° |
O4 | C4 | H4 | 110.0° | 109.5° |
C4 | O4 | HO4 | 110.0° | 106.8° |
N6 | C6 | H61 | 111.1° | 109.5° |
N6 | C6 | H62 | 110.2° | 109.4° |
C6 | N6 | HN61 | 121.5° | 106.8° |
C6 | N6 | HN62 | 120.8° | 106.7° |
H61 | C6 | H62 | 108.7° | 109.5° |
HN61 | N6 | HN62 | 107.5° | 106.6° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O5 | C5 | C4 | C6 | 122.4° | 120.1° |
O5 | C5 | C4 | H5 | 117.8° | 120.1° |
O5 | C5 | C6 | H5 | 118.2° | 119.9° |
C5 | O5 | C1 | O1 | 177.5° | 172.4° |
C5 | O5 | C1 | C2 | 60.0° | 67.6° |
C5 | O5 | C1 | H1 | 59.5° | 52.5° |
O5 | C5 | C4 | C3 | 59.8° | 61.3° |
O5 | C5 | C4 | O4 | 61.3° | 58.6° |
O5 | C5 | C4 | H4 | 178.2° | 178.8° |
O5 | C5 | C6 | N6 | 47.4° | 59.8° |
O5 | C5 | C6 | H61 | 75.5° | 179.9° |
O5 | C5 | C6 | H62 | 167.0° | 60.1° |
C4 | C5 | C6 | H5 | 120.0° | 119.8° |
C4 | C5 | O5 | C1 | 66.7° | 67.6° |
C5 | C4 | C3 | C2 | 49.2° | 53.8° |
C5 | C4 | C3 | O3 | 72.5° | 66.0° |
C5 | C4 | C3 | O4 | 121.2° | 120.1° |
C5 | C4 | C3 | H4 | 118.5° | 119.8° |
C5 | C4 | C3 | H3 | 167.6° | 173.5° |
C5 | C4 | O4 | H4 | 119.7° | 120.1° |
C5 | C4 | O4 | HO4 | 38.2° | 179.7° |
C4 | C5 | C6 | N6 | 169.2° | 179.9° |
C4 | C5 | C6 | H61 | 46.3° | 59.8° |
C4 | C5 | C6 | H62 | 71.2° | 60.2° |
C6 | C5 | O5 | C1 | 170.8° | 172.3° |
C6 | C5 | C4 | C3 | 177.8° | 178.5° |
C6 | C5 | C4 | O4 | 61.1° | 61.5° |
C6 | C5 | C4 | H4 | 59.4° | 58.7° |
C5 | C6 | N6 | H61 | 122.1° | 120.1° |
C5 | C6 | N6 | H62 | 117.5° | 119.9° |
C5 | C6 | H61 | H62 | 116.2° | 120.0° |
C5 | C6 | N6 | HN61 | 41.1° | 179.9° |
C5 | C6 | N6 | HN62 | 100.0° | 66.3° |
H5 | C5 | O5 | C1 | 51.9° | 52.4° |
H5 | C5 | C4 | C3 | 58.0° | 58.7° |
H5 | C5 | C4 | O4 | 179.1° | 178.7° |
H5 | C5 | C4 | H4 | 60.4° | 61.1° |
H5 | C5 | C6 | N6 | 70.8° | 60.1° |
H5 | C5 | C6 | H61 | 166.3° | 60.0° |
H5 | C5 | C6 | H62 | 48.8° | 180.0° |
O5 | C1 | O1 | C2 | 122.7° | 120.3° |
O5 | C1 | O1 | H1 | 117.8° | 119.9° |
O5 | C1 | C2 | H1 | 118.5° | 120.1° |
O5 | C1 | O1 | HO1 | 180.0° | 60.0° |
O5 | C1 | C2 | N2 | 76.4° | 58.7° |
O5 | C1 | C2 | C3 | 48.2° | 61.2° |
O5 | C1 | C2 | H2 | 158.8° | 178.9° |
O1 | C1 | C2 | H1 | 118.9° | 119.8° |
O1 | C1 | C2 | N2 | 46.2° | 61.4° |
O1 | C1 | C2 | C3 | 170.9° | 178.6° |
O1 | C1 | C2 | H2 | 78.6° | 58.8° |
C2 | C1 | O1 | HO1 | 57.3° | 179.7° |
C1 | C2 | N2 | C3 | 126.1° | 119.6° |
C1 | C2 | N2 | H2 | 121.4° | 120.2° |
C1 | C2 | C3 | H2 | 114.8° | 119.9° |
C1 | C2 | N2 | HN21 | 1.7° | 60.0° |
C1 | C2 | N2 | HN22 | 140.4° | 173.7° |
C1 | C2 | C3 | O3 | 77.6° | 66.2° |
C1 | C2 | C3 | C4 | 44.3° | 53.7° |
C1 | C2 | C3 | H3 | 162.6° | 173.5° |
H1 | C1 | O1 | HO1 | 62.3° | 59.9° |
H1 | C1 | C2 | N2 | 165.1° | 178.8° |
H1 | C1 | C2 | C3 | 70.3° | 58.9° |
H1 | C1 | C2 | H2 | 40.3° | 61.0° |
N2 | C2 | C3 | H2 | 120.4° | 120.3° |
C2 | N2 | HN21 | HN22 | 146.6° | 113.7° |
N2 | C2 | C3 | O3 | 157.6° | 173.9° |
N2 | C2 | C3 | C4 | 80.5° | 66.1° |
N2 | C2 | C3 | H3 | 37.8° | 53.6° |
C3 | C2 | N2 | HN21 | 127.8° | 179.6° |
C3 | C2 | N2 | HN22 | 14.3° | 66.7° |
C2 | C3 | O3 | C4 | 123.5° | 119.2° |
C2 | C3 | O3 | H3 | 118.3° | 120.3° |
C2 | C3 | C4 | H3 | 118.4° | 119.7° |
C2 | C3 | O3 | HO3 | 154.0° | 60.0° |
C2 | C3 | C4 | O4 | 72.0° | 66.2° |
C2 | C3 | C4 | H4 | 167.7° | 173.6° |
H2 | C2 | N2 | HN21 | 119.7° | 60.2° |
H2 | C2 | N2 | HN22 | 98.2° | 53.5° |
H2 | C2 | C3 | O3 | 37.2° | 53.6° |
H2 | C2 | C3 | C4 | 159.1° | 173.6° |
H2 | C2 | C3 | H3 | 82.6° | 66.7° |
O3 | C3 | C4 | H3 | 119.9° | 120.5° |
O3 | C3 | C4 | O4 | 166.3° | 173.9° |
O3 | C3 | C4 | H4 | 46.0° | 53.8° |
C4 | C3 | O3 | HO3 | 82.5° | 179.2° |
C3 | C4 | O4 | H4 | 119.4° | 120.2° |
C3 | C4 | O4 | HO4 | 82.7° | 60.0° |
H3 | C3 | O3 | HO3 | 35.8° | 60.3° |
H3 | C3 | C4 | O4 | 46.4° | 53.4° |
H3 | C3 | C4 | H4 | 73.9° | 66.7° |
H4 | C4 | O4 | HO4 | 157.9° | 60.2° |
N6 | C6 | H61 | H62 | 121.3° | 119.9° |
C6 | N6 | HN61 | HN62 | 145.5° | 113.7° |
H61 | C6 | N6 | HN61 | 163.2° | 59.8° |
H61 | C6 | N6 | HN62 | 22.1° | 53.8° |
H62 | C6 | N6 | HN61 | 76.4° | 60.1° |
H62 | C6 | N6 | HN62 | 142.6° | 173.8° |