AOG
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 | 1.42Å | 1.44Å | |
C1 | H1 | sing | 1.09Å | 1.11Å | |
O1 | C1' | sing | 1.43Å | 1.46Å | |
C2 | O2 | sing | 1.43Å | 1.44Å | |
C2 | C3 | sing | 1.53Å | 1.53Å | |
C2 | H2 | sing | 1.09Å | 1.12Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
C3 | C4 | sing | 1.53Å | 1.52Å | |
C3 | N3 | sing | 1.47Å | 1.45Å | |
C3 | H3 | sing | 1.09Å | 1.11Å | |
C4 | O4 | sing | 1.43Å | 1.42Å | |
C4 | C5 | sing | 1.53Å | 1.53Å | |
C4 | H4 | sing | 1.09Å | 1.11Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
C5 | O5 | sing | 1.43Å | 1.44Å | |
C5 | C6 | sing | 1.53Å | 1.52Å | |
C5 | H5 | sing | 1.09Å | 1.11Å | |
C6 | O6 | sing | 1.43Å | 1.42Å | |
C6 | H61 | sing | 1.09Å | 1.12Å | |
C6 | H62 | sing | 1.09Å | 1.12Å | |
O6 | HO6 | sing | 0.97Å | 0.95Å | |
N3 | HN31 | sing | 1.01Å | 1.02Å | |
N3 | HN32 | sing | 1.01Å | 1.02Å | |
C1' | C2' | sing | 1.53Å | 1.54Å | |
C1' | H1'1 | sing | 1.09Å | 1.11Å | |
C1' | H1'2 | sing | 1.09Å | 1.11Å | |
C2' | C3' | sing | 1.53Å | 1.59Å | |
C2' | H2'1 | sing | 1.09Å | 1.11Å | |
C2' | H2'2 | sing | 1.09Å | 1.11Å | |
C3' | C4' | sing | 1.53Å | 1.61Å | |
C3' | H3'1 | sing | 1.09Å | 1.12Å | |
C3' | H3'2 | sing | 1.09Å | 1.12Å | |
C4' | C5' | sing | 1.53Å | 1.43Å | |
C4' | H4'1 | sing | 1.09Å | 1.11Å | |
C4' | H4'2 | sing | 1.09Å | 1.12Å | |
C5' | C6' | sing | 1.53Å | 1.51Å | |
C5' | H5'1 | sing | 1.09Å | 1.11Å | |
C5' | H5'2 | sing | 1.09Å | 1.12Å | |
C6' | C7' | sing | 1.53Å | 1.58Å | |
C6' | H6'1 | sing | 1.09Å | 1.12Å | |
C6' | H6'2 | sing | 1.09Å | 1.12Å | |
C7' | C8' | sing | 1.53Å | 1.58Å | |
C7' | H7'1 | sing | 1.09Å | 1.12Å | |
C7' | H7'2 | sing | 1.09Å | 1.11Å | |
C8' | H8'1 | sing | 1.09Å | 1.12Å | |
C8' | H8'2 | sing | 1.09Å | 1.12Å | |
C8' | H8'3 | sing | 1.09Å | 1.11Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C1 | C2 | 109.7° | 109.4° |
O1 | C1 | O5 | 107.5° | 109.4° |
O1 | C1 | H1 | 111.2° | 109.3° |
C1 | O1 | C1' | 112.5° | 106.8° |
C2 | C1 | O5 | 111.0° | 109.8° |
C2 | C1 | H1 | 107.6° | 109.4° |
C1 | C2 | O2 | 109.9° | 109.6° |
C1 | C2 | C3 | 110.6° | 109.0° |
C1 | C2 | H2 | 108.4° | 109.7° |
O5 | C1 | H1 | 109.8° | 109.4° |
C1 | O5 | C5 | 113.1° | 107.6° |
O1 | C1' | C2' | 99.6° | 109.4° |
O1 | C1' | H1'1 | 116.0° | 109.5° |
O1 | C1' | H1'2 | 116.0° | 109.5° |
O2 | C2 | C3 | 109.4° | 109.5° |
O2 | C2 | H2 | 109.6° | 109.5° |
C2 | O2 | HO2 | 109.9° | 106.8° |
C3 | C2 | H2 | 109.0° | 109.5° |
C2 | C3 | C4 | 109.4° | 108.6° |
C2 | C3 | N3 | 110.1° | 109.8° |
C2 | C3 | H3 | 109.3° | 109.7° |
C4 | C3 | N3 | 110.0° | 109.6° |
C4 | C3 | H3 | 109.4° | 109.6° |
C3 | C4 | O4 | 109.2° | 109.6° |
C3 | C4 | C5 | 109.2° | 109.0° |
C3 | C4 | H4 | 109.8° | 109.5° |
N3 | C3 | H3 | 108.7° | 109.6° |
C3 | N3 | HN31 | 110.1° | 106.8° |
C3 | N3 | HN32 | 112.0° | 106.7° |
O4 | C4 | C5 | 109.2° | 109.5° |
O4 | C4 | H4 | 109.7° | 109.5° |
C4 | O4 | HO4 | 109.2° | 106.8° |
C5 | C4 | H4 | 109.7° | 109.6° |
C4 | C5 | O5 | 109.7° | 109.8° |
C4 | C5 | C6 | 111.6° | 109.3° |
C4 | C5 | H5 | 107.1° | 109.4° |
O5 | C5 | C6 | 107.2° | 109.4° |
O5 | C5 | H5 | 111.6° | 109.4° |
C6 | C5 | H5 | 109.7° | 109.4° |
C5 | C6 | O6 | 111.5° | 109.5° |
C5 | C6 | H61 | 111.4° | 109.5° |
C5 | C6 | H62 | 111.5° | 109.5° |
O6 | C6 | H61 | 111.5° | 109.5° |
O6 | C6 | H62 | 111.5° | 109.5° |
C6 | O6 | HO6 | 111.4° | 106.8° |
H61 | C6 | H62 | 98.9° | 109.4° |
HN31 | N3 | HN32 | 111.9° | 106.7° |
C2' | C1' | H1'1 | 116.0° | 109.5° |
C2' | C1' | H1'2 | 116.0° | 109.5° |
C1' | C2' | C3' | 116.4° | 109.5° |
C1' | C2' | H2'1 | 109.7° | 109.5° |
C1' | C2' | H2'2 | 109.7° | 109.5° |
H1'1 | C1' | H1'2 | 94.5° | 109.5° |
C3' | C2' | H2'1 | 109.7° | 109.5° |
C3' | C2' | H2'2 | 109.6° | 109.4° |
C2' | C3' | C4' | 114.4° | 109.5° |
C2' | C3' | H3'1 | 110.5° | 109.5° |
C2' | C3' | H3'2 | 110.5° | 109.4° |
H2'1 | C2' | H2'2 | 100.5° | 109.4° |
C4' | C3' | H3'1 | 110.4° | 109.5° |
C4' | C3' | H3'2 | 110.4° | 109.4° |
C3' | C4' | C5' | 121.0° | 109.5° |
C3' | C4' | H4'1 | 108.1° | 109.5° |
C3' | C4' | H4'2 | 108.1° | 109.5° |
H3'1 | C3' | H3'2 | 99.8° | 109.5° |
C5' | C4' | H4'1 | 108.0° | 109.5° |
C5' | C4' | H4'2 | 108.0° | 109.4° |
C4' | C5' | C6' | 119.4° | 109.5° |
C4' | C5' | H5'1 | 108.7° | 109.5° |
C4' | C5' | H5'2 | 108.7° | 109.4° |
H4'1 | C4' | H4'2 | 101.8° | 109.4° |
C6' | C5' | H5'1 | 108.6° | 109.5° |
C6' | C5' | H5'2 | 108.6° | 109.5° |
C5' | C6' | C7' | 115.0° | 109.6° |
C5' | C6' | H6'1 | 110.2° | 109.5° |
C5' | C6' | H6'2 | 110.2° | 109.4° |
H5'1 | C5' | H5'2 | 101.4° | 109.4° |
C7' | C6' | H6'1 | 110.1° | 109.5° |
C7' | C6' | H6'2 | 110.1° | 109.5° |
C6' | C7' | C8' | 114.9° | 109.5° |
C6' | C7' | H7'1 | 110.3° | 109.5° |
C6' | C7' | H7'2 | 110.3° | 109.4° |
H6'1 | C6' | H6'2 | 100.1° | 109.4° |
C8' | C7' | H7'1 | 110.2° | 109.5° |
C8' | C7' | H7'2 | 110.2° | 109.4° |
C7' | C8' | H8'1 | 114.9° | 109.5° |
C7' | C8' | H8'2 | 110.3° | 109.4° |
C7' | C8' | H8'3 | 110.3° | 109.5° |
H7'1 | C7' | H7'2 | 100.0° | 109.4° |
H8'1 | C8' | H8'2 | 110.2° | 109.4° |
H8'1 | C8' | H8'3 | 110.2° | 109.5° |
H8'2 | C8' | H8'3 | 100.0° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C1 | C2 | O5 | 118.7° | 120.1° |
O1 | C1 | C2 | H1 | 121.1° | 119.8° |
O1 | C1 | O5 | H1 | 121.1° | 119.8° |
O1 | C1 | C2 | O2 | 66.8° | 58.7° |
O1 | C1 | C2 | C3 | 172.4° | 178.6° |
O1 | C1 | C2 | H2 | 53.0° | 61.6° |
O1 | C1 | O5 | C5 | 177.7° | 172.3° |
C1 | O1 | C1' | C2' | 158.7° | 180.0° |
C1 | O1 | C1' | H1'1 | 76.1° | 60.0° |
C1 | O1 | C1' | H1'2 | 33.4° | 60.1° |
C2 | C1 | O5 | H1 | 118.9° | 120.1° |
C2 | C1 | O1 | C1' | 133.8° | 179.8° |
C1 | C2 | O2 | C3 | 121.6° | 119.6° |
C1 | C2 | O2 | H2 | 119.1° | 120.3° |
C1 | C2 | C3 | H2 | 119.1° | 120.0° |
C1 | C2 | O2 | HO2 | 180.0° | 60.5° |
C1 | C2 | C3 | C4 | 54.1° | 53.8° |
C1 | C2 | C3 | N3 | 175.1° | 173.6° |
C1 | C2 | C3 | H3 | 65.6° | 66.0° |
C2 | C1 | O5 | C5 | 57.7° | 67.6° |
O5 | C1 | O1 | C1' | 105.4° | 59.8° |
O5 | C1 | C2 | O2 | 174.5° | 178.8° |
O5 | C1 | C2 | C3 | 53.7° | 61.3° |
O5 | C1 | C2 | H2 | 65.7° | 58.5° |
C1 | O5 | C5 | C4 | 61.1° | 67.6° |
C1 | O5 | C5 | C6 | 177.6° | 172.4° |
C1 | O5 | C5 | H5 | 57.5° | 52.5° |
H1 | C1 | O1 | C1' | 14.9° | 60.0° |
H1 | C1 | C2 | O2 | 54.3° | 61.1° |
H1 | C1 | C2 | C3 | 66.6° | 58.8° |
H1 | C1 | C2 | H2 | 174.0° | 178.6° |
H1 | C1 | O5 | C5 | 61.2° | 52.5° |
O1 | C1' | C2' | H1'1 | 125.2° | 120.1° |
O1 | C1' | C2' | H1'2 | 125.2° | 120.0° |
O1 | C1' | H1'1 | H1'2 | 121.8° | 120.0° |
O1 | C1' | C2' | C3' | 67.0° | 180.0° |
O1 | C1' | C2' | H2'1 | 167.8° | 59.9° |
O1 | C1' | C2' | H2'2 | 58.3° | 60.0° |
O2 | C2 | C3 | H2 | 119.8° | 120.1° |
O2 | C2 | C3 | C4 | 175.3° | 173.7° |
O2 | C2 | C3 | N3 | 63.8° | 66.5° |
O2 | C2 | C3 | H3 | 55.5° | 53.9° |
C3 | C2 | O2 | HO2 | 58.5° | 179.9° |
C2 | C3 | C4 | N3 | 121.0° | 119.9° |
C2 | C3 | C4 | H3 | 119.7° | 119.8° |
C2 | C3 | N3 | H3 | 119.7° | 120.5° |
C2 | C3 | C4 | O4 | 62.1° | 66.2° |
C2 | C3 | C4 | C5 | 57.3° | 53.7° |
C2 | C3 | C4 | H4 | 177.7° | 173.6° |
C2 | C3 | N3 | HN31 | 180.0° | 60.8° |
C2 | C3 | N3 | HN32 | 54.7° | 53.0° |
H2 | C2 | O2 | HO2 | 60.9° | 59.8° |
H2 | C2 | C3 | C4 | 64.9° | 66.2° |
H2 | C2 | C3 | N3 | 56.0° | 53.6° |
H2 | C2 | C3 | H3 | 175.3° | 174.0° |
C4 | C3 | N3 | H3 | 119.8° | 120.3° |
C3 | C4 | O4 | C5 | 119.4° | 119.5° |
C3 | C4 | O4 | H4 | 120.3° | 120.2° |
C3 | C4 | C5 | H4 | 120.4° | 119.9° |
C3 | C4 | O4 | HO4 | 180.0° | 179.6° |
C3 | C4 | C5 | O5 | 60.1° | 61.2° |
C3 | C4 | C5 | C6 | 178.8° | 178.7° |
C3 | C4 | C5 | H5 | 61.1° | 58.9° |
C4 | C3 | N3 | HN31 | 59.4° | 180.0° |
C4 | C3 | N3 | HN32 | 65.8° | 66.2° |
N3 | C3 | C4 | O4 | 58.9° | 53.7° |
N3 | C3 | C4 | C5 | 178.3° | 173.6° |
N3 | C3 | C4 | H4 | 61.3° | 66.5° |
C3 | N3 | HN31 | HN32 | 125.3° | 113.8° |
H3 | C3 | C4 | O4 | 178.2° | 174.0° |
H3 | C3 | C4 | C5 | 62.4° | 66.1° |
H3 | C3 | C4 | H4 | 58.0° | 53.8° |
H3 | C3 | N3 | HN31 | 60.3° | 59.7° |
H3 | C3 | N3 | HN32 | 174.4° | 173.5° |
O4 | C4 | C5 | H4 | 120.3° | 120.2° |
O4 | C4 | C5 | O5 | 59.3° | 58.7° |
O4 | C4 | C5 | C6 | 59.4° | 61.4° |
O4 | C4 | C5 | H5 | 179.5° | 178.8° |
C5 | C4 | O4 | HO4 | 60.6° | 60.0° |
C4 | C5 | O5 | C6 | 121.4° | 120.1° |
C4 | C5 | O5 | H5 | 118.5° | 120.1° |
C4 | C5 | C6 | H5 | 118.6° | 119.8° |
C4 | C5 | C6 | O6 | 162.3° | 179.7° |
C4 | C5 | C6 | H61 | 37.0° | 59.6° |
C4 | C5 | C6 | H62 | 72.5° | 60.3° |
H4 | C4 | O4 | HO4 | 59.7° | 60.2° |
H4 | C4 | C5 | O5 | 179.5° | 178.9° |
H4 | C4 | C5 | C6 | 60.9° | 58.8° |
H4 | C4 | C5 | H5 | 59.2° | 61.0° |
O5 | C5 | C6 | H5 | 121.3° | 119.8° |
O5 | C5 | C6 | O6 | 77.6° | 60.0° |
O5 | C5 | C6 | H61 | 157.2° | 180.0° |
O5 | C5 | C6 | H62 | 47.7° | 60.0° |
C5 | C6 | O6 | H61 | 125.2° | 120.0° |
C5 | C6 | O6 | H62 | 125.2° | 120.0° |
C5 | C6 | H61 | H62 | 117.3° | 120.0° |
C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
H5 | C5 | C6 | O6 | 43.7° | 59.9° |
H5 | C5 | C6 | H61 | 81.6° | 60.2° |
H5 | C5 | C6 | H62 | 169.0° | 179.9° |
O6 | C6 | H61 | H62 | 117.4° | 120.0° |
H61 | C6 | O6 | HO6 | 54.7° | 59.9° |
H62 | C6 | O6 | HO6 | 54.8° | 60.0° |
C2' | C1' | H1'1 | H1'2 | 121.9° | 120.0° |
C1' | C2' | C3' | H2'1 | 125.3° | 120.1° |
C1' | C2' | C3' | H2'2 | 125.2° | 120.0° |
C1' | C2' | H2'1 | H2'2 | 115.5° | 120.0° |
C1' | C2' | C3' | C4' | 115.8° | 180.0° |
C1' | C2' | C3' | H3'1 | 9.4° | 59.9° |
C1' | C2' | C3' | H3'2 | 118.9° | 60.1° |
H1'1 | C1' | C2' | C3' | 58.3° | 59.9° |
H1'1 | C1' | C2' | H2'1 | 67.0° | 180.0° |
H1'1 | C1' | C2' | H2'2 | 176.5° | 60.1° |
H1'2 | C1' | C2' | C3' | 167.8° | 60.1° |
H1'2 | C1' | C2' | H2'1 | 42.6° | 60.0° |
H1'2 | C1' | C2' | H2'2 | 67.0° | 180.0° |
C3' | C2' | H2'1 | H2'2 | 115.4° | 119.9° |
C2' | C3' | C4' | H3'1 | 125.3° | 120.1° |
C2' | C3' | C4' | H3'2 | 125.3° | 119.9° |
C2' | C3' | H3'1 | H3'2 | 116.3° | 120.0° |
C2' | C3' | C4' | C5' | 179.9° | 180.0° |
C2' | C3' | C4' | H4'1 | 54.8° | 59.9° |
C2' | C3' | C4' | H4'2 | 54.7° | 60.1° |
H2'1 | C2' | C3' | C4' | 118.9° | 59.9° |
H2'1 | C2' | C3' | H3'1 | 115.9° | 180.0° |
H2'1 | C2' | C3' | H3'2 | 6.3° | 60.0° |
H2'2 | C2' | C3' | C4' | 9.4° | 60.0° |
H2'2 | C2' | C3' | H3'1 | 134.7° | 60.1° |
H2'2 | C2' | C3' | H3'2 | 115.8° | 179.9° |
C4' | C3' | H3'1 | H3'2 | 116.2° | 119.9° |
C3' | C4' | C5' | H4'1 | 125.3° | 120.1° |
C3' | C4' | C5' | H4'2 | 125.3° | 120.0° |
C3' | C4' | H4'1 | H4'2 | 113.8° | 120.0° |
C3' | C4' | C5' | C6' | 98.1° | 180.0° |
C3' | C4' | C5' | H5'1 | 27.1° | 59.9° |
C3' | C4' | C5' | H5'2 | 136.6° | 60.0° |
H3'1 | C3' | C4' | C5' | 54.6° | 60.0° |
H3'1 | C3' | C4' | H4'1 | 179.9° | 180.0° |
H3'1 | C3' | C4' | H4'2 | 70.6° | 60.0° |
H3'2 | C3' | C4' | C5' | 54.8° | 60.1° |
H3'2 | C3' | C4' | H4'1 | 70.5° | 60.0° |
H3'2 | C3' | C4' | H4'2 | 180.0° | 180.0° |
C5' | C4' | H4'1 | H4'2 | 113.6° | 119.9° |
C4' | C5' | C6' | H5'1 | 125.3° | 120.0° |
C4' | C5' | C6' | H5'2 | 125.3° | 120.0° |
C4' | C5' | H5'1 | H5'2 | 114.4° | 119.9° |
C4' | C5' | C6' | C7' | 179.7° | 180.0° |
C4' | C5' | C6' | H6'1 | 54.5° | 59.9° |
C4' | C5' | C6' | H6'2 | 55.1° | 59.9° |
H4'1 | C4' | C5' | C6' | 136.6° | 59.9° |
H4'1 | C4' | C5' | H5'1 | 98.2° | 180.0° |
H4'1 | C4' | C5' | H5'2 | 11.3° | 60.1° |
H4'2 | C4' | C5' | C6' | 27.1° | 60.0° |
H4'2 | C4' | C5' | H5'1 | 152.4° | 60.1° |
H4'2 | C4' | C5' | H5'2 | 98.1° | 180.0° |
C6' | C5' | H5'1 | H5'2 | 114.3° | 120.0° |
C5' | C6' | C7' | H6'1 | 125.3° | 120.1° |
C5' | C6' | C7' | H6'2 | 125.3° | 120.0° |
C5' | C6' | H6'1 | H6'2 | 116.1° | 119.9° |
C5' | C6' | C7' | C8' | 150.2° | 179.9° |
C5' | C6' | C7' | H7'1 | 84.6° | 59.9° |
C5' | C6' | C7' | H7'2 | 25.0° | 60.0° |
H5'1 | C5' | C6' | C7' | 55.0° | 59.9° |
H5'1 | C5' | C6' | H6'1 | 179.7° | 180.0° |
H5'1 | C5' | C6' | H6'2 | 70.2° | 60.1° |
H5'2 | C5' | C6' | C7' | 54.4° | 60.0° |
H5'2 | C5' | C6' | H6'1 | 70.8° | 60.1° |
H5'2 | C5' | C6' | H6'2 | 179.7° | 179.9° |
C7' | C6' | H6'1 | H6'2 | 115.9° | 120.0° |
C6' | C7' | C8' | H7'1 | 125.3° | 120.1° |
C6' | C7' | C8' | H7'2 | 125.3° | 119.9° |
C6' | C7' | H7'1 | H7'2 | 116.1° | 119.9° |
C6' | C7' | C8' | H8'1 | 180.0° | 180.0° |
C6' | C7' | C8' | H8'2 | 54.8° | 60.1° |
C6' | C7' | C8' | H8'3 | 54.8° | 59.9° |
H6'1 | C6' | C7' | C8' | 24.9° | 59.9° |
H6'1 | C6' | C7' | H7'1 | 150.2° | 180.0° |
H6'1 | C6' | C7' | H7'2 | 100.3° | 60.1° |
H6'2 | C6' | C7' | C8' | 84.5° | 60.0° |
H6'2 | C6' | C7' | H7'1 | 40.7° | 60.1° |
H6'2 | C6' | C7' | H7'2 | 150.2° | 180.0° |
C8' | C7' | H7'1 | H7'2 | 116.0° | 120.0° |
C7' | C8' | H8'1 | H8'2 | 125.3° | 119.9° |
C7' | C8' | H8'1 | H8'3 | 125.3° | 120.1° |
C7' | C8' | H8'2 | H8'3 | 116.1° | 120.0° |
H7'1 | C7' | C8' | H8'1 | 54.7° | 59.9° |
H7'1 | C7' | C8' | H8'2 | 180.0° | 60.0° |
H7'1 | C7' | C8' | H8'3 | 70.5° | 180.0° |
H7'2 | C7' | C8' | H8'1 | 54.7° | 60.1° |
H7'2 | C7' | C8' | H8'2 | 70.5° | 179.9° |
H7'2 | C7' | C8' | H8'3 | 179.9° | 60.0° |
H8'1 | C8' | H8'2 | H8'3 | 116.0° | 120.1° |