QVN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O03 | C07 | doub | 1.21Å | 1.38Å | |
| O02 | C07 | sing | 1.35Å | 1.20Å | |
| C07 | C01 | sing | 1.49Å | 1.36Å | |
| O05 | C08 | doub | 1.21Å | 1.34Å | |
| C01 | C02 | sing | 1.51Å | 1.53Å | |
| C01 | O01 | doub | 1.21Å | 1.25Å | |
| C02 | C03 | sing | 1.53Å | 1.48Å | |
| C08 | C03 | sing | 1.51Å | 1.54Å | |
| C08 | O04 | sing | 1.34Å | 1.22Å | |
| C03 | C04 | sing | 1.53Å | 1.52Å | |
| C04 | C05 | sing | 1.53Å | 1.53Å | |
| C05 | C06 | sing | 1.53Å | 1.54Å | |
| C06 | C09 | sing | 1.51Å | 1.50Å | |
| C09 | C10 | doub | 1.38Å | 1.42Å | Aromatic |
| C09 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.42Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.43Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.41Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.41Å | Aromatic |
| C10 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H15 | sing | 1.08Å | 1.08Å | |
| C02 | H02 | sing | 1.09Å | 1.10Å | |
| C02 | H01 | sing | 1.09Å | 1.10Å | |
| C03 | H03 | sing | 1.09Å | 1.10Å | |
| C04 | H04 | sing | 1.09Å | 1.10Å | |
| C04 | H05 | sing | 1.09Å | 1.10Å | |
| C05 | H06 | sing | 1.09Å | 1.10Å | |
| C05 | H07 | sing | 1.09Å | 1.10Å | |
| C06 | H08 | sing | 1.09Å | 1.10Å | |
| C06 | H09 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.08Å | 1.08Å | |
| C12 | H14 | sing | 1.08Å | 1.08Å | |
| C14 | H16 | sing | 1.08Å | 1.08Å | |
| O02 | 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) |
| O03 | C07 | O02 | 107.7° | 120.0° |
| O03 | C07 | C01 | 125.7° | 120.0° |
| O02 | C07 | C01 | 126.5° | 120.0° |
| C07 | O02 | H1 | 109.5° | 117.0° |
| C07 | C01 | C02 | 119.0° | 120.0° |
| C07 | C01 | O01 | 126.0° | 120.0° |
| O05 | C08 | C03 | 118.1° | 120.0° |
| O05 | C08 | O04 | 119.3° | 120.0° |
| C02 | C01 | O01 | 114.9° | 120.0° |
| C01 | C02 | C03 | 114.2° | 109.5° |
| C01 | C02 | H02 | 108.3° | 109.5° |
| C01 | C02 | H01 | 108.3° | 109.5° |
| C02 | C03 | C08 | 107.6° | 109.4° |
| C02 | C03 | C04 | 116.6° | 109.5° |
| C03 | C02 | H02 | 108.3° | 109.5° |
| C03 | C02 | H01 | 108.2° | 109.4° |
| C02 | C03 | H03 | 108.7° | 109.5° |
| C03 | C08 | O04 | 122.6° | 120.0° |
| C08 | C03 | C04 | 107.4° | 109.5° |
| C08 | C03 | H03 | 108.0° | 109.4° |
| C08 | O04 | H2 | 109.5° | 117.0° |
| C03 | C04 | C05 | 111.9° | 109.5° |
| C04 | C03 | H03 | 108.3° | 109.5° |
| C03 | C04 | H04 | 108.9° | 109.5° |
| C03 | C04 | H05 | 108.9° | 109.5° |
| C04 | C05 | C06 | 112.2° | 109.5° |
| C05 | C04 | H04 | 108.8° | 109.5° |
| C05 | C04 | H05 | 108.9° | 109.5° |
| C04 | C05 | H06 | 108.8° | 109.5° |
| C04 | C05 | H07 | 108.8° | 109.5° |
| C05 | C06 | C09 | 105.2° | 109.5° |
| C06 | C05 | H06 | 108.8° | 109.5° |
| C06 | C05 | H07 | 108.8° | 109.4° |
| C05 | C06 | H08 | 110.5° | 109.5° |
| C05 | C06 | H09 | 110.5° | 109.4° |
| C06 | C09 | C10 | 119.2° | 120.0° |
| C06 | C09 | C14 | 120.7° | 120.0° |
| C09 | C06 | H08 | 110.5° | 109.5° |
| C09 | C06 | H09 | 110.5° | 109.5° |
| C10 | C09 | C14 | 120.1° | 120.0° |
| C09 | C10 | C11 | 120.2° | 120.0° |
| C09 | C10 | H12 | 119.9° | 120.0° |
| C09 | C14 | C13 | 119.8° | 120.0° |
| C09 | C14 | H16 | 120.1° | 120.0° |
| C10 | C11 | C12 | 119.2° | 120.0° |
| C11 | C10 | H12 | 119.9° | 120.0° |
| C10 | C11 | H13 | 120.4° | 120.0° |
| C14 | C13 | C12 | 119.8° | 120.0° |
| C14 | C13 | H15 | 120.1° | 120.1° |
| C13 | C14 | H16 | 120.1° | 120.0° |
| C11 | C12 | C13 | 120.9° | 120.0° |
| C12 | C11 | H13 | 120.4° | 120.0° |
| C11 | C12 | H14 | 119.6° | 120.0° |
| C12 | C13 | H15 | 120.1° | 120.0° |
| C13 | C12 | H14 | 119.6° | 120.0° |
| H02 | C02 | H01 | 109.5° | 109.5° |
| H04 | C04 | H05 | 109.5° | 109.5° |
| H06 | C05 | H07 | 109.5° | 109.5° |
| H08 | C06 | H09 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O03 | C07 | O02 | C01 | 176.9° | 180.0° |
| O03 | C07 | C01 | C02 | 8.4° | 0.0° |
| O03 | C07 | C01 | O01 | 169.7° | 180.0° |
| O03 | C07 | O02 | H1 | 0.0° | 0.0° |
| O02 | C07 | C01 | C02 | 175.3° | 180.0° |
| O02 | C07 | C01 | O01 | 6.6° | 0.0° |
| C07 | C01 | C02 | O01 | 178.4° | 180.0° |
| C07 | C01 | C02 | C03 | 152.8° | 180.0° |
| C07 | C01 | C02 | H02 | 86.5° | 60.0° |
| C07 | C01 | C02 | H01 | 32.2° | 60.0° |
| C01 | C07 | O02 | H1 | 176.8° | 180.0° |
| O05 | C08 | C03 | C02 | 0.7° | 0.1° |
| O05 | C08 | C03 | O04 | 179.0° | 179.9° |
| O05 | C08 | C03 | C04 | 125.6° | 120.0° |
| O05 | C08 | C03 | H03 | 117.9° | 120.0° |
| O05 | C08 | O04 | H2 | 0.0° | 0.0° |
| C01 | C02 | C03 | H02 | 120.7° | 120.1° |
| C01 | C02 | C03 | H01 | 120.7° | 120.0° |
| C01 | C02 | C03 | C08 | 157.5° | 65.0° |
| C01 | C02 | C03 | C04 | 81.9° | 175.0° |
| C01 | C02 | H02 | H01 | 117.8° | 120.0° |
| C01 | C02 | C03 | H03 | 40.8° | 54.9° |
| O01 | C01 | C02 | C03 | 28.8° | 0.0° |
| O01 | C01 | C02 | H02 | 91.9° | 120.0° |
| O01 | C01 | C02 | H01 | 149.5° | 120.0° |
| C02 | C03 | C08 | C04 | 126.3° | 120.0° |
| C02 | C03 | C08 | H03 | 117.2° | 120.0° |
| C02 | C03 | C08 | O04 | 178.3° | 180.0° |
| C02 | C03 | C04 | H03 | 122.9° | 120.1° |
| C02 | C03 | C04 | C05 | 65.5° | 175.0° |
| C03 | C02 | H02 | H01 | 117.8° | 119.9° |
| C02 | C03 | C04 | H04 | 174.2° | 65.0° |
| C02 | C03 | C04 | H05 | 54.9° | 55.0° |
| C08 | C03 | C04 | H03 | 116.4° | 120.0° |
| C08 | C03 | C04 | C05 | 173.8° | 65.0° |
| C08 | C03 | C02 | H02 | 36.8° | 55.1° |
| C08 | C03 | C02 | H01 | 81.8° | 175.0° |
| C08 | C03 | C04 | H04 | 53.4° | 55.0° |
| C08 | C03 | C04 | H05 | 65.9° | 175.0° |
| C03 | C08 | O04 | H2 | 179.1° | 180.0° |
| O04 | C08 | C03 | C04 | 55.4° | 60.0° |
| O04 | C08 | C03 | H03 | 61.1° | 60.0° |
| C03 | C04 | C05 | H04 | 120.4° | 120.0° |
| C03 | C04 | C05 | H05 | 120.4° | 120.0° |
| C03 | C04 | C05 | C06 | 161.0° | 180.0° |
| C04 | C03 | C02 | H02 | 157.4° | 65.0° |
| C04 | C03 | C02 | H01 | 38.8° | 55.0° |
| C03 | C04 | H04 | H05 | 118.9° | 120.0° |
| C03 | C04 | C05 | H06 | 78.6° | 60.0° |
| C03 | C04 | C05 | H07 | 40.6° | 60.0° |
| C04 | C05 | C06 | H06 | 120.4° | 120.0° |
| C04 | C05 | C06 | H07 | 120.4° | 120.0° |
| C04 | C05 | C06 | C09 | 175.1° | 180.0° |
| C05 | C04 | C03 | H03 | 57.4° | 55.0° |
| C05 | C04 | H04 | H05 | 118.9° | 120.0° |
| C04 | C05 | H06 | H07 | 118.7° | 120.0° |
| C04 | C05 | C06 | H08 | 55.8° | 59.9° |
| C04 | C05 | C06 | H09 | 65.6° | 60.0° |
| C05 | C06 | C09 | H08 | 119.3° | 120.0° |
| C05 | C06 | C09 | H09 | 119.3° | 119.9° |
| C05 | C06 | C09 | C10 | 82.2° | 90.1° |
| C05 | C06 | C09 | C14 | 97.0° | 90.0° |
| C06 | C05 | C04 | H04 | 40.6° | 60.0° |
| C06 | C05 | C04 | H05 | 78.7° | 60.0° |
| C06 | C05 | H06 | H07 | 118.8° | 120.0° |
| C05 | C06 | H08 | H09 | 122.0° | 119.9° |
| C06 | C09 | C10 | C14 | 179.2° | 180.0° |
| C06 | C09 | C10 | C11 | 177.8° | 180.0° |
| C06 | C09 | C14 | C13 | 177.9° | 179.4° |
| C06 | C09 | C10 | H12 | 2.2° | 0.3° |
| C09 | C06 | C05 | H06 | 64.5° | 60.0° |
| C09 | C06 | C05 | H07 | 54.6° | 60.1° |
| C09 | C06 | H08 | H09 | 122.0° | 120.0° |
| C06 | C09 | C14 | H16 | 2.1° | 0.1° |
| C09 | C10 | C11 | H12 | 180.0° | 179.7° |
| C10 | C09 | C14 | C13 | 1.2° | 0.6° |
| C09 | C10 | C11 | C12 | 0.3° | 0.3° |
| C10 | C09 | C06 | H08 | 37.1° | 30.0° |
| C10 | C09 | C06 | H09 | 158.5° | 150.0° |
| C09 | C10 | C11 | H13 | 179.7° | 179.7° |
| C10 | C09 | C14 | H16 | 178.7° | 179.9° |
| C14 | C09 | C10 | C11 | 1.4° | 0.0° |
| C09 | C14 | C13 | H16 | 180.0° | 179.5° |
| C09 | C14 | C13 | C12 | 0.0° | 0.9° |
| C14 | C09 | C10 | H12 | 178.6° | 179.7° |
| C09 | C14 | C13 | H15 | 179.9° | 179.7° |
| C14 | C09 | C06 | H08 | 143.7° | 150.0° |
| C14 | C09 | C06 | H09 | 22.3° | 30.0° |
| C10 | C11 | C12 | H13 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 1.0° | 0.0° |
| C10 | C11 | C12 | H14 | 179.0° | 179.4° |
| C14 | C13 | C12 | C11 | 1.2° | 0.6° |
| C14 | C13 | C12 | H15 | 180.0° | 179.4° |
| C14 | C13 | C12 | H14 | 178.9° | 180.0° |
| C11 | C12 | C13 | H14 | 180.0° | 179.4° |
| C12 | C11 | C10 | H12 | 179.7° | 180.0° |
| C11 | C12 | C13 | H15 | 178.8° | 180.0° |
| C13 | C12 | C11 | H13 | 179.0° | 180.0° |
| C12 | C13 | C14 | H16 | 180.0° | 179.6° |
| H12 | C10 | C11 | H13 | 0.3° | 0.0° |
| H15 | C13 | C12 | H14 | 1.2° | 0.6° |
| H15 | C13 | C14 | H16 | 0.0° | 0.2° |
| H02 | C02 | C03 | H03 | 79.9° | 175.0° |
| H01 | C02 | C03 | H03 | 161.5° | 65.0° |
| H03 | C03 | C04 | H04 | 62.9° | 174.9° |
| H03 | C03 | C04 | H05 | 177.8° | 65.0° |
| H04 | C04 | C05 | H06 | 161.0° | 180.0° |
| H04 | C04 | C05 | H07 | 79.8° | 59.9° |
| H05 | C04 | C05 | H06 | 41.7° | 60.0° |
| H05 | C04 | C05 | H07 | 160.9° | 180.0° |
| H06 | C05 | C06 | H08 | 176.2° | 180.0° |
| H06 | C05 | C06 | H09 | 54.8° | 60.0° |
| H07 | C05 | C06 | H08 | 64.7° | 60.0° |
| H07 | C05 | C06 | H09 | 174.0° | 180.0° |
| H13 | C11 | C12 | H14 | 1.0° | 0.6° |
