OTG
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | O1 | sing | 1.43Å | 1.43Å | |
C1 | C2 | sing | 1.53Å | 1.54Å | |
C1 | O5 | sing | 1.43Å | 1.43Å | |
C1 | H1 | sing | 1.09Å | 1.12Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å | |
C2 | N2 | sing | 1.46Å | 1.47Å | |
C2 | C3 | sing | 1.53Å | 1.54Å | |
C2 | H2 | sing | 1.09Å | 1.12Å | |
N2 | C8' | sing | 1.35Å | 1.32Å | |
N2 | HN21 | sing | 0.97Å | 1.02Å | |
C3 | O3 | sing | 1.43Å | 1.43Å | |
C3 | C4 | sing | 1.53Å | 1.54Å | |
C3 | H3 | sing | 1.09Å | 1.11Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
C4 | O4 | sing | 1.43Å | 1.43Å | |
C4 | C5 | sing | 1.53Å | 1.54Å | |
C4 | H4 | sing | 1.09Å | 1.11Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
C5 | O5 | sing | 1.43Å | 1.43Å | |
C5 | C6 | sing | 1.53Å | 1.54Å | |
C5 | H5 | sing | 1.09Å | 1.12Å | |
C6 | O6 | sing | 1.43Å | 1.43Å | |
C6 | H61 | sing | 1.09Å | 1.12Å | |
C6 | H62 | sing | 1.09Å | 1.12Å | |
O6 | HO6 | sing | 0.97Å | 0.95Å | |
C1' | C2' | doub | 1.40Å | 1.40Å | Aromatic |
C1' | C6' | sing | 1.38Å | 1.40Å | Aromatic |
C1' | C7' | sing | 1.51Å | 1.53Å | |
C2' | C3' | sing | 1.40Å | 1.40Å | Aromatic |
C2' | C8' | sing | 1.48Å | 1.52Å | |
C3' | C4' | doub | 1.38Å | 1.40Å | Aromatic |
C3' | H3' | sing | 1.08Å | 1.10Å | |
C4' | C5' | sing | 1.38Å | 1.40Å | Aromatic |
C4' | H4' | sing | 1.08Å | 1.10Å | |
C5' | C6' | doub | 1.38Å | 1.40Å | Aromatic |
C5' | H5' | sing | 1.08Å | 1.10Å | |
C6' | H6' | sing | 1.08Å | 1.10Å | |
C7' | H7'1 | sing | 1.09Å | 1.11Å | |
C7' | H7'2 | sing | 1.09Å | 1.12Å | |
C7' | H7'3 | sing | 1.09Å | 1.12Å | |
C8' | O8' | doub | 1.22Å | 1.23Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C1 | C2 | 109.4° | 109.4° |
O1 | C1 | O5 | 109.4° | 109.3° |
O1 | C1 | H1 | 109.5° | 109.4° |
C1 | O1 | HO1 | 109.4° | 106.8° |
C2 | C1 | O5 | 109.5° | 109.8° |
C2 | C1 | H1 | 109.5° | 109.4° |
C1 | C2 | N2 | 109.4° | 109.6° |
C1 | C2 | C3 | 109.6° | 109.1° |
C1 | C2 | H2 | 109.4° | 109.6° |
O5 | C1 | H1 | 109.4° | 109.4° |
C1 | O5 | C5 | 109.3° | 107.7° |
N2 | C2 | C3 | 109.4° | 109.6° |
N2 | C2 | H2 | 109.6° | 109.5° |
C2 | N2 | C8' | 119.9° | 120.1° |
C2 | N2 | HN21 | 125.3° | 120.0° |
C3 | C2 | H2 | 109.4° | 109.5° |
C2 | C3 | O3 | 109.4° | 109.9° |
C2 | C3 | C4 | 109.6° | 108.7° |
C2 | C3 | H3 | 109.4° | 109.5° |
C8' | N2 | HN21 | 114.8° | 120.0° |
N2 | C8' | C2' | 119.6° | 120.0° |
N2 | C8' | O8' | 119.7° | 120.0° |
O3 | C3 | C4 | 109.4° | 109.6° |
O3 | C3 | H3 | 109.6° | 109.6° |
C3 | O3 | HO3 | 109.4° | 106.8° |
C4 | C3 | H3 | 109.4° | 109.6° |
C3 | C4 | O4 | 109.5° | 109.6° |
C3 | C4 | C5 | 109.6° | 109.1° |
C3 | C4 | H4 | 109.4° | 109.5° |
O4 | C4 | C5 | 109.5° | 109.5° |
O4 | C4 | H4 | 109.4° | 109.6° |
C4 | O4 | HO4 | 109.5° | 106.8° |
C5 | C4 | H4 | 109.4° | 109.5° |
C4 | C5 | O5 | 109.5° | 109.8° |
C4 | C5 | C6 | 109.6° | 109.4° |
C4 | C5 | H5 | 109.4° | 109.5° |
O5 | C5 | C6 | 109.6° | 109.4° |
O5 | C5 | H5 | 109.4° | 109.3° |
C6 | C5 | H5 | 109.2° | 109.4° |
C5 | C6 | O6 | 109.6° | 109.5° |
C5 | C6 | H61 | 112.2° | 109.5° |
C5 | C6 | H62 | 112.2° | 109.4° |
O6 | C6 | H61 | 112.1° | 109.5° |
O6 | C6 | H62 | 112.2° | 109.5° |
C6 | O6 | HO6 | 109.5° | 106.7° |
H61 | C6 | H62 | 98.2° | 109.5° |
C2' | C1' | C6' | 119.3° | 119.9° |
C2' | C1' | C7' | 119.5° | 120.1° |
C1' | C2' | C3' | 119.6° | 119.7° |
C1' | C2' | C8' | 119.4° | 120.2° |
C6' | C1' | C7' | 119.4° | 120.1° |
C1' | C6' | C5' | 119.4° | 120.2° |
C1' | C6' | H6' | 120.3° | 119.9° |
C1' | C7' | H7'1 | 119.5° | 109.5° |
C1' | C7' | H7'2 | 108.6° | 109.4° |
C1' | C7' | H7'3 | 108.6° | 109.4° |
C3' | C2' | C8' | 119.6° | 120.2° |
C2' | C3' | C4' | 119.6° | 119.9° |
C2' | C3' | H3' | 120.1° | 120.0° |
C2' | C8' | O8' | 119.5° | 120.0° |
C4' | C3' | H3' | 120.4° | 120.1° |
C3' | C4' | C5' | 119.4° | 120.2° |
C3' | C4' | H4' | 120.3° | 119.9° |
C5' | C4' | H4' | 120.4° | 119.9° |
C4' | C5' | C6' | 119.4° | 120.3° |
C4' | C5' | H5' | 120.3° | 119.8° |
C6' | C5' | H5' | 120.2° | 119.9° |
C5' | C6' | H6' | 120.2° | 119.9° |
H7'1 | C7' | H7'2 | 108.6° | 109.5° |
H7'1 | C7' | H7'3 | 108.6° | 109.5° |
H7'2 | C7' | H7'3 | 101.3° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C1 | C2 | O5 | 119.9° | 120.0° |
O1 | C1 | C2 | H1 | 120.1° | 119.9° |
O1 | C1 | O5 | H1 | 120.0° | 119.8° |
O1 | C1 | C2 | N2 | 59.3° | 61.1° |
O1 | C1 | C2 | C3 | 60.6° | 58.8° |
O1 | C1 | C2 | H2 | 179.4° | 178.7° |
O1 | C1 | O5 | C5 | 52.9° | 52.6° |
C2 | C1 | O5 | H1 | 120.0° | 120.1° |
C2 | C1 | O1 | HO1 | 180.0° | 180.0° |
C1 | C2 | N2 | C3 | 120.1° | 119.6° |
C1 | C2 | N2 | H2 | 119.9° | 120.3° |
C1 | C2 | C3 | H2 | 119.9° | 120.0° |
C1 | C2 | N2 | C8' | 115.4° | 90.2° |
C1 | C2 | N2 | HN21 | 64.6° | 89.8° |
C1 | C2 | C3 | O3 | 172.1° | 173.5° |
C1 | C2 | C3 | C4 | 52.1° | 53.6° |
C1 | C2 | C3 | H3 | 67.8° | 66.1° |
C2 | C1 | O5 | C5 | 67.0° | 67.5° |
O5 | C1 | O1 | HO1 | 59.9° | 59.7° |
O5 | C1 | C2 | N2 | 179.3° | 178.9° |
O5 | C1 | C2 | C3 | 59.3° | 61.2° |
O5 | C1 | C2 | H2 | 60.7° | 58.7° |
C1 | O5 | C5 | C4 | 67.0° | 67.5° |
C1 | O5 | C5 | C6 | 172.7° | 172.4° |
C1 | O5 | C5 | H5 | 52.9° | 52.6° |
H1 | C1 | O1 | HO1 | 60.0° | 60.1° |
H1 | C1 | C2 | N2 | 60.7° | 58.8° |
H1 | C1 | C2 | C3 | 179.3° | 178.7° |
H1 | C1 | C2 | H2 | 59.3° | 61.4° |
H1 | C1 | O5 | C5 | 173.0° | 172.4° |
N2 | C2 | C3 | H2 | 120.1° | 120.1° |
C2 | N2 | C8' | HN21 | 180.0° | 180.0° |
N2 | C2 | C3 | O3 | 67.9° | 66.6° |
N2 | C2 | C3 | C4 | 172.1° | 173.5° |
N2 | C2 | C3 | H3 | 52.2° | 53.8° |
C2 | N2 | C8' | C2' | 149.9° | 180.0° |
C2 | N2 | C8' | O8' | 17.3° | 0.0° |
C3 | C2 | N2 | C8' | 124.6° | 150.2° |
C3 | C2 | N2 | HN21 | 55.4° | 29.8° |
C2 | C3 | O3 | C4 | 120.1° | 119.3° |
C2 | C3 | O3 | H3 | 119.9° | 120.3° |
C2 | C3 | C4 | H3 | 119.9° | 119.7° |
C2 | C3 | O3 | HO3 | 180.0° | 179.3° |
C2 | C3 | C4 | O4 | 172.3° | 173.5° |
C2 | C3 | C4 | C5 | 52.2° | 53.6° |
C2 | C3 | C4 | H4 | 67.7° | 66.3° |
H2 | C2 | N2 | C8' | 4.6° | 30.1° |
H2 | C2 | N2 | HN21 | 175.4° | 149.9° |
H2 | C2 | C3 | O3 | 52.2° | 53.5° |
H2 | C2 | C3 | C4 | 67.8° | 66.4° |
H2 | C2 | C3 | H3 | 172.3° | 173.9° |
N2 | C8' | C2' | C1' | 111.4° | 174.4° |
N2 | C8' | C2' | C3' | 55.1° | 6.3° |
N2 | C8' | C2' | O8' | 167.3° | 180.0° |
HN21 | N2 | C8' | C2' | 30.1° | 0.0° |
HN21 | N2 | C8' | O8' | 162.7° | 180.0° |
O3 | C3 | C4 | H3 | 120.1° | 120.3° |
O3 | C3 | C4 | O4 | 67.7° | 66.4° |
O3 | C3 | C4 | C5 | 172.2° | 173.7° |
O3 | C3 | C4 | H4 | 52.3° | 53.8° |
C4 | C3 | O3 | HO3 | 59.8° | 60.0° |
C3 | C4 | O4 | C5 | 120.2° | 119.7° |
C3 | C4 | O4 | H4 | 120.0° | 120.2° |
C3 | C4 | C5 | H4 | 119.9° | 119.8° |
C3 | C4 | O4 | HO4 | 180.0° | 179.7° |
C3 | C4 | C5 | O5 | 59.4° | 61.2° |
C3 | C4 | C5 | C6 | 179.7° | 178.7° |
C3 | C4 | C5 | H5 | 60.5° | 58.8° |
H3 | C3 | O3 | HO3 | 60.1° | 60.3° |
H3 | C3 | C4 | O4 | 52.4° | 53.9° |
H3 | C3 | C4 | C5 | 67.8° | 66.1° |
H3 | C3 | C4 | H4 | 172.4° | 174.1° |
O4 | C4 | C5 | H4 | 119.9° | 120.2° |
O4 | C4 | C5 | O5 | 179.5° | 178.9° |
O4 | C4 | C5 | C6 | 60.2° | 58.7° |
O4 | C4 | C5 | H5 | 59.6° | 61.2° |
C5 | C4 | O4 | HO4 | 59.8° | 60.0° |
C4 | C5 | O5 | C6 | 120.3° | 120.1° |
C4 | C5 | O5 | H5 | 119.9° | 120.1° |
C4 | C5 | C6 | H5 | 119.9° | 119.9° |
C4 | C5 | C6 | O6 | 62.0° | 179.8° |
C4 | C5 | C6 | H61 | 172.7° | 59.7° |
C4 | C5 | C6 | H62 | 63.3° | 60.3° |
H4 | C4 | O4 | HO4 | 60.1° | 60.1° |
H4 | C4 | C5 | O5 | 60.6° | 58.7° |
H4 | C4 | C5 | C6 | 59.7° | 61.4° |
H4 | C4 | C5 | H5 | 179.5° | 178.7° |
O5 | C5 | C6 | H5 | 119.9° | 119.7° |
O5 | C5 | C6 | O6 | 58.2° | 59.9° |
O5 | C5 | C6 | H61 | 67.1° | 179.9° |
O5 | C5 | C6 | H62 | 176.5° | 60.1° |
C5 | C6 | O6 | H61 | 125.3° | 120.0° |
C5 | C6 | O6 | H62 | 125.3° | 119.9° |
C5 | C6 | H61 | H62 | 118.1° | 119.9° |
C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
H5 | C5 | C6 | O6 | 178.1° | 59.8° |
H5 | C5 | C6 | H61 | 52.8° | 60.2° |
H5 | C5 | C6 | H62 | 56.7° | 179.8° |
O6 | C6 | H61 | H62 | 118.0° | 120.0° |
H61 | C6 | O6 | HO6 | 54.7° | 59.9° |
H62 | C6 | O6 | HO6 | 54.7° | 60.1° |
C2' | C1' | C6' | C7' | 164.5° | 179.8° |
C1' | C2' | C3' | C8' | 166.4° | 179.3° |
C1' | C2' | C3' | C4' | 16.0° | 0.7° |
C1' | C2' | C3' | H3' | 164.1° | 179.7° |
C2' | C1' | C6' | C5' | 12.0° | 0.3° |
C2' | C1' | C6' | H6' | 168.0° | 179.7° |
C2' | C1' | C7' | H7'1 | 180.0° | 83.7° |
C2' | C1' | C7' | H7'2 | 54.7° | 36.3° |
C2' | C1' | C7' | H7'3 | 54.7° | 156.3° |
C1' | C2' | C8' | O8' | 81.4° | 5.6° |
C6' | C1' | C2' | C3' | 4.8° | 0.6° |
C6' | C1' | C2' | C8' | 161.6° | 179.9° |
C1' | C6' | C5' | C4' | 17.7° | 0.0° |
C1' | C6' | C5' | H6' | 180.0° | 180.0° |
C1' | C6' | C5' | H5' | 162.3° | 180.0° |
C6' | C1' | C7' | H7'1 | 15.5° | 96.6° |
C6' | C1' | C7' | H7'2 | 109.7° | 143.4° |
C6' | C1' | C7' | H7'3 | 140.8° | 23.5° |
C7' | C1' | C2' | C3' | 169.3° | 179.6° |
C7' | C1' | C2' | C8' | 2.9° | 0.3° |
C7' | C1' | C6' | C5' | 152.5° | 180.0° |
C7' | C1' | C6' | H6' | 27.5° | 0.1° |
C1' | C7' | H7'1 | H7'2 | 125.3° | 120.0° |
C1' | C7' | H7'1 | H7'3 | 125.3° | 120.0° |
C1' | C7' | H7'2 | H7'3 | 114.3° | 119.9° |
C2' | C3' | C4' | H3' | 179.9° | 179.7° |
C2' | C3' | C4' | C5' | 10.3° | 0.4° |
C2' | C3' | C4' | H4' | 169.7° | 179.7° |
C3' | C2' | C8' | O8' | 112.2° | 173.7° |
C8' | C2' | C3' | C4' | 150.4° | 180.0° |
C8' | C2' | C3' | H3' | 29.5° | 0.3° |
C3' | C4' | C5' | H4' | 179.9° | 179.9° |
C3' | C4' | C5' | C6' | 6.5° | 0.1° |
C3' | C4' | C5' | H5' | 173.5° | 180.0° |
H3' | C3' | C4' | C5' | 169.8° | 179.9° |
H3' | C3' | C4' | H4' | 10.3° | 0.0° |
C4' | C5' | C6' | H5' | 180.0° | 180.0° |
C4' | C5' | C6' | H6' | 162.3° | 180.0° |
H4' | C4' | C5' | C6' | 173.5° | 180.0° |
H4' | C4' | C5' | H5' | 6.5° | 0.0° |
H5' | C5' | C6' | H6' | 17.7° | 0.0° |
H7'1 | C7' | H7'2 | H7'3 | 114.3° | 120.1° |