QVQ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C06 | C05 | sing | 1.54Å | 1.55Å | |
C06 | C07 | sing | 1.54Å | 1.53Å | |
C05 | C04 | sing | 1.54Å | 1.57Å | |
C07 | C08 | sing | 1.51Å | 1.63Å | |
C07 | C03 | sing | 1.55Å | 1.61Å | |
C04 | C01 | sing | 1.51Å | 1.54Å | |
C04 | C03 | sing | 1.55Å | 1.63Å | |
O05 | C08 | doub | 1.21Å | 1.21Å | |
O02 | C01 | doub | 1.21Å | 1.20Å | |
C08 | C02 | sing | 1.49Å | 1.36Å | |
C01 | O01 | sing | 1.34Å | 1.38Å | |
C02 | O03 | doub | 1.21Å | 1.35Å | |
C02 | O04 | sing | 1.35Å | 1.23Å | |
C03 | H04 | sing | 1.09Å | 1.10Å | |
C03 | H03 | sing | 1.09Å | 1.10Å | |
C04 | H05 | sing | 1.09Å | 1.10Å | |
C05 | H07 | sing | 1.09Å | 1.10Å | |
C05 | H06 | sing | 1.09Å | 1.10Å | |
C06 | H09 | sing | 1.09Å | 1.10Å | |
C06 | H08 | sing | 1.09Å | 1.10Å | |
C07 | H10 | sing | 1.09Å | 1.10Å | |
O01 | H1 | sing | 0.97Å | 0.95Å | |
O04 | H2 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C05 | C06 | C07 | 106.4° | 106.7° |
C06 | C05 | C04 | 94.6° | 106.6° |
C06 | C05 | H07 | 113.1° | 110.0° |
C06 | C05 | H06 | 113.0° | 110.1° |
C05 | C06 | H09 | 110.2° | 110.0° |
C05 | C06 | H08 | 110.2° | 110.0° |
C06 | C07 | C08 | 118.9° | 110.5° |
C06 | C07 | C03 | 99.8° | 104.1° |
C07 | C06 | H09 | 110.2° | 109.8° |
C07 | C06 | H08 | 110.2° | 110.2° |
C06 | C07 | H10 | 109.1° | 110.4° |
C05 | C04 | C01 | 129.7° | 110.5° |
C05 | C04 | C03 | 98.5° | 104.2° |
C05 | C04 | H05 | 104.9° | 110.6° |
C04 | C05 | H07 | 113.1° | 110.0° |
C04 | C05 | H06 | 113.1° | 110.1° |
C08 | C07 | C03 | 112.6° | 110.8° |
C07 | C08 | O05 | 122.9° | 120.0° |
C07 | C08 | C02 | 121.6° | 120.0° |
C08 | C07 | H10 | 107.8° | 110.4° |
C07 | C03 | C04 | 104.8° | 102.9° |
C07 | C03 | H04 | 110.6° | 110.8° |
C07 | C03 | H03 | 110.6° | 110.7° |
C03 | C07 | H10 | 108.1° | 110.4° |
C01 | C04 | C03 | 111.8° | 110.5° |
C04 | C01 | O02 | 119.4° | 120.0° |
C04 | C01 | O01 | 112.4° | 120.0° |
C01 | C04 | H05 | 105.2° | 110.4° |
C04 | C03 | H04 | 110.6° | 110.8° |
C04 | C03 | H03 | 110.6° | 110.7° |
C03 | C04 | H05 | 104.3° | 110.4° |
O05 | C08 | C02 | 115.5° | 120.0° |
O02 | C01 | O01 | 128.2° | 120.0° |
C08 | C02 | O03 | 120.0° | 120.0° |
C08 | C02 | O04 | 115.1° | 120.0° |
C01 | O01 | H1 | 109.5° | 117.0° |
O03 | C02 | O04 | 124.8° | 120.0° |
C02 | O04 | H2 | 109.5° | 117.0° |
H04 | C03 | H03 | 109.5° | 110.7° |
H07 | C05 | H06 | 109.5° | 110.0° |
H09 | C06 | H08 | 109.5° | 110.1° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C05 | C06 | C07 | H09 | 119.5° | 119.2° |
C05 | C06 | C07 | H08 | 119.5° | 119.4° |
C06 | C05 | C04 | H07 | 117.5° | 119.3° |
C06 | C05 | C04 | H06 | 117.4° | 119.3° |
C05 | C06 | C07 | C08 | 88.4° | 142.3° |
C05 | C06 | C07 | C03 | 34.4° | 23.3° |
C06 | C05 | C04 | C01 | 178.4° | 142.3° |
C06 | C05 | C04 | C03 | 53.9° | 23.6° |
C06 | C05 | C04 | H05 | 53.5° | 95.1° |
C06 | C05 | H07 | H06 | 127.0° | 121.4° |
C05 | C06 | H09 | H08 | 121.4° | 121.4° |
C05 | C06 | C07 | H10 | 147.6° | 95.2° |
C07 | C06 | C05 | C04 | 57.8° | 0.2° |
C06 | C07 | C08 | C03 | 116.2° | 114.9° |
C06 | C07 | C08 | H10 | 124.7° | 122.5° |
C06 | C07 | C03 | H10 | 113.9° | 118.6° |
C06 | C07 | C03 | C04 | 1.9° | 37.6° |
C06 | C07 | C08 | O05 | 5.2° | 88.6° |
C06 | C07 | C08 | C02 | 175.3° | 91.4° |
C06 | C07 | C03 | H04 | 117.3° | 156.1° |
C06 | C07 | C03 | H03 | 121.2° | 80.7° |
C07 | C06 | C05 | H07 | 175.3° | 119.1° |
C07 | C06 | C05 | H06 | 59.6° | 119.5° |
C07 | C06 | H09 | H08 | 121.4° | 121.5° |
C05 | C04 | C03 | C07 | 35.9° | 37.8° |
C05 | C04 | C01 | C03 | 122.5° | 114.8° |
C05 | C04 | C01 | H05 | 124.8° | 122.7° |
C05 | C04 | C03 | H05 | 107.8° | 118.8° |
C05 | C04 | C01 | O02 | 35.8° | 114.5° |
C05 | C04 | C01 | O01 | 147.5° | 65.2° |
C05 | C04 | C03 | H04 | 83.3° | 156.3° |
C05 | C04 | C03 | H03 | 155.2° | 80.6° |
C04 | C05 | H07 | H06 | 127.0° | 121.4° |
C04 | C05 | C06 | H09 | 177.4° | 119.2° |
C04 | C05 | C06 | H08 | 61.7° | 119.3° |
C08 | C07 | C03 | H10 | 118.9° | 122.7° |
C08 | C07 | C03 | C04 | 129.1° | 156.4° |
C07 | C08 | O05 | C02 | 179.5° | 180.0° |
C07 | C08 | C02 | O03 | 175.9° | 0.0° |
C07 | C08 | C02 | O04 | 4.4° | 180.0° |
C08 | C07 | C03 | H04 | 9.8° | 85.1° |
C08 | C07 | C03 | H03 | 111.7° | 38.1° |
C08 | C07 | C06 | H09 | 31.1° | 23.1° |
C08 | C07 | C06 | H08 | 152.1° | 98.3° |
C07 | C03 | C04 | C01 | 174.9° | 156.5° |
C07 | C03 | C04 | H04 | 119.3° | 118.5° |
C07 | C03 | C04 | H03 | 119.3° | 118.4° |
C03 | C07 | C08 | O05 | 111.0° | 26.3° |
C03 | C07 | C08 | C02 | 68.5° | 153.7° |
C07 | C03 | H04 | H03 | 122.2° | 123.2° |
C07 | C03 | C04 | H05 | 71.9° | 81.0° |
C03 | C07 | C06 | H09 | 154.0° | 95.9° |
C03 | C07 | C06 | H08 | 85.1° | 142.7° |
C01 | C04 | C03 | H05 | 113.2° | 122.5° |
C04 | C01 | O02 | O01 | 176.2° | 179.7° |
C01 | C04 | C03 | H04 | 55.6° | 85.0° |
C01 | C04 | C03 | H03 | 65.8° | 38.2° |
C01 | C04 | C05 | H07 | 60.9° | 23.1° |
C01 | C04 | C05 | H06 | 64.1° | 98.3° |
C04 | C01 | O01 | H1 | 176.5° | 180.0° |
C03 | C04 | C01 | O02 | 158.3° | 0.3° |
C03 | C04 | C01 | O01 | 24.9° | 180.0° |
C04 | C03 | H04 | H03 | 122.1° | 123.2° |
C03 | C04 | C05 | H07 | 171.4° | 95.7° |
C03 | C04 | C05 | H06 | 63.5° | 142.9° |
C04 | C03 | C07 | H10 | 112.0° | 80.9° |
O05 | C08 | C02 | O03 | 4.5° | 180.0° |
O05 | C08 | C02 | O04 | 175.1° | 0.0° |
O05 | C08 | C07 | H10 | 129.9° | 148.9° |
O02 | C01 | C04 | H05 | 89.1° | 122.8° |
O02 | C01 | O01 | H1 | 0.0° | 0.4° |
C08 | C02 | O03 | O04 | 179.6° | 180.0° |
C02 | C08 | C07 | H10 | 50.6° | 31.1° |
C08 | C02 | O04 | H2 | 179.6° | 180.0° |
O01 | C01 | C04 | H05 | 87.7° | 57.5° |
O03 | C02 | O04 | H2 | 0.0° | 0.0° |
H04 | C03 | C04 | H05 | 168.8° | 37.5° |
H04 | C03 | C07 | H10 | 128.7° | 37.5° |
H03 | C03 | C04 | H05 | 47.4° | 160.6° |
H03 | C03 | C07 | H10 | 7.2° | 160.7° |
H05 | C04 | C05 | H07 | 64.0° | 145.7° |
H05 | C04 | C05 | H06 | 170.9° | 24.3° |
H07 | C05 | C06 | H09 | 65.2° | 0.0° |
H07 | C05 | C06 | H08 | 55.8° | 121.4° |
H06 | C05 | C06 | H09 | 59.9° | 121.4° |
H06 | C05 | C06 | H08 | 179.1° | 0.0° |
H09 | C06 | C07 | H10 | 92.9° | 145.6° |
H08 | C06 | C07 | H10 | 28.0° | 24.2° |