GAQ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O5 | C5 | doub | 1.23Å | 1.44Å | |
C5 | C4 | sing | 1.51Å | 1.52Å | |
C5 | H55 | sing | 1.10Å | 1.10Å | |
C4 | C3 | sing | 1.53Å | 1.51Å | |
C4 | H41 | sing | 1.10Å | 1.11Å | |
C4 | H42 | sing | 1.10Å | 1.12Å | |
C3 | C2 | sing | 1.53Å | 1.51Å | |
C3 | H31 | sing | 1.10Å | 1.11Å | |
C3 | H32 | sing | 1.10Å | 1.11Å | |
C2 | C1 | sing | 1.52Å | 1.53Å | |
C2 | H21 | sing | 1.10Å | 1.12Å | |
C2 | H22 | sing | 1.10Å | 1.12Å | |
C1 | O1 | sing | 1.42Å | 1.45Å | |
C1 | H1 | sing | 1.09Å | 1.11Å | |
C1 | H11 | sing | 1.10Å | 1.12Å | |
HO1 | O1 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O5 | C5 | C4 | 108.6° | 124.8° |
O5 | C5 | H55 | 123.6° | 120.3° |
C4 | C5 | H55 | 127.9° | 114.9° |
C5 | C4 | C3 | 110.3° | 112.6° |
C5 | C4 | H41 | 111.9° | 107.5° |
C5 | C4 | H42 | 111.9° | 107.5° |
C3 | C4 | H41 | 111.9° | 110.4° |
C3 | C4 | H42 | 111.9° | 110.4° |
C4 | C3 | C2 | 102.9° | 111.4° |
C4 | C3 | H31 | 114.7° | 109.7° |
C4 | C3 | H32 | 114.7° | 109.6° |
H41 | C4 | H42 | 98.5° | 108.2° |
C2 | C3 | H31 | 114.7° | 109.7° |
C2 | C3 | H32 | 114.7° | 109.7° |
C3 | C2 | C1 | 115.5° | 111.7° |
C3 | C2 | H21 | 110.0° | 110.3° |
C3 | C2 | H22 | 110.0° | 110.2° |
H31 | C3 | H32 | 95.8° | 106.6° |
C1 | C2 | H21 | 110.0° | 109.3° |
C1 | C2 | H22 | 110.0° | 109.3° |
C2 | C1 | O1 | 113.6° | 109.8° |
C2 | C1 | H1 | 110.7° | 110.8° |
C2 | C1 | H11 | 110.7° | 111.4° |
H21 | C2 | H22 | 100.2° | 105.9° |
O1 | C1 | H1 | 110.7° | 107.9° |
O1 | C1 | H11 | 110.7° | 108.5° |
C1 | O1 | HO1 | 109.5° | 106.7° |
H1 | C1 | H11 | 99.6° | 108.3° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O5 | C5 | C4 | H55 | 180.0° | 180.0° |
O5 | C5 | C4 | C3 | 103.4° | 1.9° |
O5 | C5 | C4 | H41 | 131.3° | 120.0° |
O5 | C5 | C4 | H42 | 21.9° | 123.7° |
C5 | C4 | C3 | H41 | 125.3° | 120.2° |
C5 | C4 | C3 | H42 | 125.3° | 120.2° |
C5 | C4 | H41 | H42 | 117.8° | 115.9° |
C5 | C4 | C3 | C2 | 86.7° | 178.4° |
C5 | C4 | C3 | H31 | 148.1° | 60.0° |
C5 | C4 | C3 | H32 | 38.6° | 56.7° |
H55 | C5 | C4 | C3 | 76.6° | 178.1° |
H55 | C5 | C4 | H41 | 48.7° | 60.1° |
H55 | C5 | C4 | H42 | 158.1° | 56.2° |
C3 | C4 | H41 | H42 | 117.8° | 120.9° |
C4 | C3 | C2 | H31 | 125.3° | 121.6° |
C4 | C3 | C2 | H32 | 125.3° | 121.6° |
C4 | C3 | H31 | H32 | 120.6° | 118.6° |
C4 | C3 | C2 | C1 | 179.9° | 178.2° |
C4 | C3 | C2 | H21 | 54.6° | 60.0° |
C4 | C3 | C2 | H22 | 54.8° | 56.5° |
H41 | C4 | C3 | C2 | 38.6° | 58.2° |
H41 | C4 | C3 | H31 | 86.7° | 179.8° |
H41 | C4 | C3 | H32 | 163.9° | 63.5° |
H42 | C4 | C3 | C2 | 148.1° | 61.4° |
H42 | C4 | C3 | H31 | 22.8° | 60.2° |
H42 | C4 | C3 | H32 | 86.7° | 176.9° |
C2 | C3 | H31 | H32 | 120.6° | 118.8° |
C3 | C2 | C1 | H21 | 125.3° | 122.3° |
C3 | C2 | C1 | H22 | 125.3° | 122.2° |
C3 | C2 | H21 | H22 | 115.8° | 119.2° |
C3 | C2 | C1 | O1 | 172.3° | 179.2° |
C3 | C2 | C1 | H1 | 47.1° | 60.0° |
C3 | C2 | C1 | H11 | 62.4° | 60.6° |
H31 | C3 | C2 | C1 | 54.8° | 56.7° |
H31 | C3 | C2 | H21 | 179.9° | 178.4° |
H31 | C3 | C2 | H22 | 70.4° | 65.0° |
H32 | C3 | C2 | C1 | 54.6° | 60.2° |
H32 | C3 | C2 | H21 | 70.6° | 61.6° |
H32 | C3 | C2 | H22 | 179.9° | 178.1° |
C1 | C2 | H21 | H22 | 115.8° | 117.7° |
C2 | C1 | O1 | H1 | 125.3° | 120.9° |
C2 | C1 | O1 | H11 | 125.2° | 122.0° |
C2 | C1 | H1 | H11 | 116.5° | 122.4° |
C2 | C1 | O1 | HO1 | 9.6° | 106.9° |
H21 | C2 | C1 | O1 | 62.4° | 56.8° |
H21 | C2 | C1 | H1 | 172.4° | 62.3° |
H21 | C2 | C1 | H11 | 62.9° | 177.1° |
H22 | C2 | C1 | O1 | 47.1° | 58.6° |
H22 | C2 | C1 | H1 | 78.2° | 177.8° |
H22 | C2 | C1 | H11 | 172.3° | 61.6° |
O1 | C1 | H1 | H11 | 116.6° | 117.2° |
H1 | C1 | O1 | HO1 | 115.6° | 132.2° |
H11 | C1 | O1 | HO1 | 134.9° | 15.1° |