QVW
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O01 | C08 | doub | 1.21Å | 1.43Å | |
O02 | C01 | doub | 1.21Å | 1.21Å | |
O05 | C08 | sing | 1.35Å | 1.24Å | |
C08 | C02 | sing | 1.49Å | 1.36Å | |
C01 | C04 | sing | 1.51Å | 1.50Å | |
C01 | O03 | sing | 1.34Å | 1.34Å | |
C02 | C03 | sing | 1.51Å | 1.59Å | |
C02 | O04 | doub | 1.21Å | 1.22Å | |
C04 | C03 | sing | 1.53Å | 1.61Å | |
C03 | C05 | sing | 1.53Å | 1.54Å | |
C05 | C06 | sing | 1.53Å | 1.54Å | |
C06 | C07 | sing | 1.53Å | 1.53Å | |
C03 | H01 | sing | 1.09Å | 1.10Å | |
C04 | H03 | sing | 1.09Å | 1.10Å | |
C04 | H02 | sing | 1.09Å | 1.10Å | |
C05 | H04 | sing | 1.09Å | 1.10Å | |
C05 | H05 | sing | 1.09Å | 1.10Å | |
C06 | H07 | sing | 1.09Å | 1.10Å | |
C06 | H06 | sing | 1.09Å | 1.10Å | |
C07 | H10 | sing | 1.09Å | 1.10Å | |
C07 | H08 | sing | 1.09Å | 1.10Å | |
C07 | H09 | sing | 1.09Å | 1.10Å | |
O03 | H1 | sing | 0.97Å | 0.95Å | |
O05 | H2 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O01 | C08 | O05 | 116.4° | 120.0° |
O01 | C08 | C02 | 126.1° | 120.0° |
O02 | C01 | C04 | 117.5° | 120.0° |
O02 | C01 | O03 | 120.9° | 120.0° |
O05 | C08 | C02 | 117.5° | 120.0° |
C08 | O05 | H2 | 109.5° | 117.1° |
C08 | C02 | C03 | 114.2° | 120.0° |
C08 | C02 | O04 | 128.8° | 120.0° |
C04 | C01 | O03 | 121.5° | 120.0° |
C01 | C04 | C03 | 118.3° | 109.4° |
C01 | C04 | H03 | 107.2° | 109.5° |
C01 | C04 | H02 | 107.2° | 109.5° |
C01 | O03 | H1 | 109.5° | 117.0° |
C03 | C02 | O04 | 117.0° | 120.0° |
C02 | C03 | C04 | 110.0° | 109.5° |
C02 | C03 | C05 | 114.3° | 109.5° |
C02 | C03 | H01 | 103.7° | 109.5° |
C04 | C03 | C05 | 119.3° | 109.5° |
C04 | C03 | H01 | 103.5° | 109.5° |
C03 | C04 | H03 | 107.2° | 109.5° |
C03 | C04 | H02 | 107.2° | 109.5° |
C03 | C05 | C06 | 117.1° | 109.5° |
C05 | C03 | H01 | 104.1° | 109.5° |
C03 | C05 | H04 | 107.5° | 109.5° |
C03 | C05 | H05 | 107.5° | 109.4° |
C05 | C06 | C07 | 111.1° | 109.5° |
C06 | C05 | H04 | 107.5° | 109.5° |
C06 | C05 | H05 | 107.6° | 109.5° |
C05 | C06 | H07 | 109.1° | 109.5° |
C05 | C06 | H06 | 109.1° | 109.5° |
C07 | C06 | H07 | 109.1° | 109.5° |
C07 | C06 | H06 | 109.0° | 109.5° |
C06 | C07 | H10 | 109.5° | 109.5° |
C06 | C07 | H08 | 109.4° | 109.4° |
C06 | C07 | H09 | 109.5° | 109.5° |
H03 | C04 | H02 | 109.5° | 109.5° |
H04 | C05 | H05 | 109.5° | 109.5° |
H07 | C06 | H06 | 109.5° | 109.5° |
H10 | C07 | H08 | 109.5° | 109.5° |
H10 | C07 | H09 | 109.5° | 109.5° |
H08 | C07 | H09 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O01 | C08 | O05 | C02 | 179.8° | 180.0° |
O01 | C08 | C02 | C03 | 6.3° | 0.0° |
O01 | C08 | C02 | O04 | 174.2° | 180.0° |
O01 | C08 | O05 | H2 | 0.0° | 0.0° |
O02 | C01 | C04 | O03 | 176.0° | 179.7° |
O02 | C01 | C04 | C03 | 59.5° | 4.3° |
O02 | C01 | C04 | H03 | 61.8° | 115.7° |
O02 | C01 | C04 | H02 | 179.3° | 124.3° |
O02 | C01 | O03 | H1 | 0.0° | 0.3° |
O05 | C08 | C02 | C03 | 173.5° | 180.0° |
O05 | C08 | C02 | O04 | 6.0° | 0.0° |
C08 | C02 | C03 | O04 | 179.5° | 180.0° |
C08 | C02 | C03 | C04 | 142.1° | 150.0° |
C08 | C02 | C03 | C05 | 80.5° | 90.0° |
C08 | C02 | C03 | H01 | 32.1° | 30.0° |
C02 | C08 | O05 | H2 | 179.8° | 180.0° |
C01 | C04 | C03 | C02 | 171.6° | 66.2° |
C01 | C04 | C03 | H03 | 121.3° | 120.0° |
C01 | C04 | C03 | H02 | 121.3° | 120.0° |
C01 | C04 | C03 | C05 | 53.5° | 173.8° |
C01 | C04 | C03 | H01 | 61.4° | 53.8° |
C01 | C04 | H03 | H02 | 116.0° | 120.0° |
C04 | C01 | O03 | H1 | 175.8° | 180.0° |
O03 | C01 | C04 | C03 | 124.6° | 175.5° |
O03 | C01 | C04 | H03 | 114.2° | 64.5° |
O03 | C01 | C04 | H02 | 3.3° | 55.5° |
C02 | C03 | C04 | C05 | 134.9° | 120.0° |
C02 | C03 | C04 | H01 | 110.2° | 120.0° |
C02 | C03 | C05 | H01 | 112.3° | 120.0° |
C02 | C03 | C05 | C06 | 27.0° | 174.3° |
C02 | C03 | C04 | H03 | 50.4° | 53.8° |
C02 | C03 | C04 | H02 | 67.1° | 173.8° |
C02 | C03 | C05 | H04 | 148.1° | 54.3° |
C02 | C03 | C05 | H05 | 94.2° | 65.7° |
O04 | C02 | C03 | C04 | 38.3° | 30.0° |
O04 | C02 | C03 | C05 | 99.0° | 90.0° |
O04 | C02 | C03 | H01 | 148.4° | 150.0° |
C04 | C03 | C05 | H01 | 114.6° | 120.0° |
C04 | C03 | C05 | C06 | 106.1° | 65.7° |
C03 | C04 | H03 | H02 | 116.0° | 120.0° |
C04 | C03 | C05 | H04 | 15.0° | 174.3° |
C04 | C03 | C05 | H05 | 132.8° | 54.3° |
C03 | C05 | C06 | H04 | 121.1° | 120.0° |
C03 | C05 | C06 | H05 | 121.1° | 120.0° |
C03 | C05 | C06 | C07 | 146.7° | 174.8° |
C05 | C03 | C04 | H03 | 174.7° | 66.2° |
C05 | C03 | C04 | H02 | 67.8° | 53.8° |
C03 | C05 | H04 | H05 | 116.5° | 120.0° |
C03 | C05 | C06 | H07 | 93.0° | 65.2° |
C03 | C05 | C06 | H06 | 26.5° | 54.7° |
C05 | C06 | C07 | H07 | 120.2° | 120.0° |
C05 | C06 | C07 | H06 | 120.2° | 120.0° |
C06 | C05 | C03 | H01 | 139.3° | 54.3° |
C06 | C05 | H04 | H05 | 116.6° | 120.0° |
C05 | C06 | H07 | H06 | 119.3° | 120.0° |
C05 | C06 | C07 | H10 | 180.0° | 180.0° |
C05 | C06 | C07 | H08 | 60.0° | 60.0° |
C05 | C06 | C07 | H09 | 60.0° | 60.0° |
C07 | C06 | C05 | H04 | 25.6° | 54.8° |
C07 | C06 | C05 | H05 | 92.2° | 65.3° |
C07 | C06 | H07 | H06 | 119.3° | 120.0° |
C06 | C07 | H10 | H08 | 120.0° | 119.9° |
C06 | C07 | H10 | H09 | 120.0° | 120.0° |
C06 | C07 | H08 | H09 | 120.0° | 120.0° |
H01 | C03 | C04 | H03 | 59.8° | 173.8° |
H01 | C03 | C04 | H02 | 177.3° | 66.2° |
H01 | C03 | C05 | H04 | 99.6° | 65.7° |
H01 | C03 | C05 | H05 | 18.2° | 174.3° |
H04 | C05 | C06 | H07 | 145.9° | 174.8° |
H04 | C05 | C06 | H06 | 94.6° | 65.2° |
H05 | C05 | C06 | H07 | 28.1° | 54.7° |
H05 | C05 | C06 | H06 | 147.6° | 174.7° |
H07 | C06 | C07 | H10 | 59.8° | 60.0° |
H07 | C06 | C07 | H08 | 179.7° | 180.0° |
H07 | C06 | C07 | H09 | 60.2° | 60.0° |
H06 | C06 | C07 | H10 | 59.8° | 60.0° |
H06 | C06 | C07 | H08 | 60.2° | 60.0° |
H06 | C06 | C07 | H09 | 179.8° | 180.0° |
H10 | C07 | H08 | H09 | 120.0° | 120.1° |