FVQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | C6 | sing | 1.43Å | 1.43Å | |
| C6 | C5 | sing | 1.53Å | 1.44Å | |
| C5 | O5 | sing | 1.43Å | 1.50Å | |
| C5 | C4 | sing | 1.53Å | 1.49Å | |
| O5 | C1 | sing | 1.43Å | 1.41Å | |
| C4 | O4 | sing | 1.43Å | 1.47Å | |
| C4 | C3 | sing | 1.53Å | 1.46Å | |
| C3 | O3 | sing | 1.43Å | 1.40Å | |
| C3 | C2 | sing | 1.53Å | 1.50Å | |
| C2 | O2 | sing | 1.43Å | 1.39Å | |
| C2 | C1 | sing | 1.53Å | 1.50Å | |
| C1 | O1 | sing | 1.43Å | 1.38Å | |
| O1 | C7 | sing | 1.43Å | 1.44Å | |
| C7 | C8 | sing | 1.47Å | 1.47Å | |
| C8 | C9 | trip | 1.17Å | 1.20Å | |
| C9 | C10 | sing | 1.43Å | 1.50Å | |
| C10 | C15 | sing | 1.40Å | 1.43Å | Aromatic |
| C10 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.41Å | Aromatic |
| C13 | N12 | doub | 1.32Å | 1.36Å | Aromatic |
| C11 | N12 | sing | 1.32Å | 1.36Å | Aromatic |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C7 | H71C | sing | 1.09Å | 1.10Å | |
| C7 | H72C | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | C6 | C5 | 120.0° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| O6 | C6 | H61 | 106.8° | 109.5° |
| O6 | C6 | H62 | 106.8° | 109.5° |
| C6 | C5 | O5 | 105.9° | 109.5° |
| C6 | C5 | C4 | 110.8° | 109.5° |
| C5 | C6 | H61 | 106.8° | 109.4° |
| C5 | C6 | H62 | 106.8° | 109.4° |
| C6 | C5 | H5 | 109.5° | 109.5° |
| O5 | C5 | C4 | 113.0° | 109.4° |
| C5 | O5 | C1 | 110.4° | 114.1° |
| O5 | C5 | H5 | 108.7° | 109.4° |
| C5 | C4 | O4 | 109.4° | 109.5° |
| C5 | C4 | C3 | 111.6° | 109.2° |
| C4 | C5 | H5 | 108.8° | 109.5° |
| C5 | C4 | H4 | 106.3° | 109.5° |
| O5 | C1 | C2 | 112.7° | 109.4° |
| O5 | C1 | O1 | 109.4° | 109.5° |
| O5 | C1 | H1 | 109.4° | 109.5° |
| O4 | C4 | C3 | 115.7° | 109.5° |
| O4 | C4 | H4 | 106.6° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C4 | C3 | O3 | 111.0° | 109.5° |
| C4 | C3 | C2 | 112.3° | 109.0° |
| C3 | C4 | H4 | 106.7° | 109.6° |
| C4 | C3 | H3 | 108.3° | 109.5° |
| O3 | C3 | C2 | 108.0° | 109.6° |
| O3 | C3 | H3 | 109.3° | 109.6° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C3 | C2 | O2 | 109.6° | 109.5° |
| C3 | C2 | C1 | 113.6° | 109.2° |
| C2 | C3 | H3 | 107.8° | 109.6° |
| C3 | C2 | H2 | 108.0° | 109.5° |
| O2 | C2 | C1 | 107.7° | 109.5° |
| O2 | C2 | H2 | 109.6° | 109.5° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| C2 | C1 | O1 | 107.3° | 109.5° |
| C2 | C1 | H1 | 108.2° | 109.5° |
| C1 | C2 | H2 | 108.2° | 109.6° |
| C1 | O1 | C7 | 116.1° | 114.0° |
| O1 | C1 | H1 | 109.8° | 109.4° |
| O1 | C7 | C8 | 111.1° | 109.5° |
| O1 | C7 | H71C | 109.1° | 109.5° |
| O1 | C7 | H72C | 109.1° | 109.5° |
| C7 | C8 | C9 | 175.0° | 179.9° |
| C8 | C7 | H71C | 109.0° | 109.5° |
| C8 | C7 | H72C | 109.0° | 109.4° |
| C8 | C9 | C10 | 177.5° | 179.9° |
| C9 | C10 | C15 | 117.5° | 120.5° |
| C9 | C10 | C11 | 120.8° | 120.6° |
| C15 | C10 | C11 | 121.7° | 118.9° |
| C10 | C15 | C14 | 118.0° | 118.3° |
| C10 | C15 | H15 | 121.0° | 120.9° |
| C10 | C11 | N12 | 119.2° | 120.6° |
| C10 | C11 | H11 | 120.4° | 119.7° |
| C15 | C14 | C13 | 118.3° | 119.3° |
| C14 | C15 | H15 | 121.0° | 120.9° |
| C15 | C14 | H14 | 120.9° | 120.4° |
| C14 | C13 | N12 | 121.9° | 121.1° |
| C13 | C14 | H14 | 120.9° | 120.3° |
| C14 | C13 | H13 | 119.0° | 119.4° |
| C13 | N12 | C11 | 120.9° | 121.9° |
| N12 | C13 | H13 | 119.0° | 119.5° |
| N12 | C11 | H11 | 120.4° | 119.7° |
| H61 | C6 | H62 | 109.5° | 109.5° |
| H71C | C7 | H72C | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C6 | C5 | H61 | 121.5° | 120.0° |
| O6 | C6 | C5 | H62 | 121.5° | 120.0° |
| O6 | C6 | C5 | O5 | 44.0° | 64.9° |
| O6 | C6 | C5 | C4 | 78.9° | 175.1° |
| O6 | C6 | H61 | H62 | 115.2° | 120.1° |
| O6 | C6 | C5 | H5 | 161.1° | 55.0° |
| C6 | C5 | O5 | C4 | 121.4° | 120.0° |
| C6 | C5 | O5 | H5 | 117.6° | 120.0° |
| C6 | C5 | C4 | H5 | 120.5° | 120.0° |
| C6 | C5 | O5 | C1 | 178.4° | 178.9° |
| C6 | C5 | C4 | O4 | 58.8° | 62.5° |
| C6 | C5 | C4 | C3 | 171.9° | 177.6° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| C5 | C6 | H61 | H62 | 115.3° | 119.9° |
| C6 | C5 | C4 | H4 | 55.9° | 57.6° |
| O5 | C5 | C4 | H5 | 120.9° | 119.9° |
| O5 | C5 | C4 | O4 | 177.5° | 177.5° |
| O5 | C5 | C4 | C3 | 53.2° | 57.6° |
| C5 | O5 | C1 | C2 | 55.4° | 61.1° |
| C5 | O5 | C1 | O1 | 63.9° | 58.9° |
| O5 | C5 | C6 | H61 | 165.5° | 55.1° |
| O5 | C5 | C6 | H62 | 77.5° | 175.0° |
| O5 | C5 | C4 | H4 | 62.8° | 62.4° |
| C5 | O5 | C1 | H1 | 175.8° | 178.9° |
| C4 | C5 | O5 | C1 | 57.0° | 61.1° |
| C5 | C4 | O4 | C3 | 127.0° | 119.7° |
| C5 | C4 | O4 | H4 | 114.6° | 120.1° |
| C5 | C4 | C3 | H4 | 115.7° | 120.0° |
| C5 | C4 | C3 | O3 | 169.0° | 176.8° |
| C5 | C4 | C3 | C2 | 48.0° | 57.0° |
| C4 | C5 | C6 | H61 | 42.6° | 64.9° |
| C4 | C5 | C6 | H62 | 159.6° | 55.0° |
| C5 | C4 | O4 | HO4 | 180.0° | 180.0° |
| C5 | C4 | C3 | H3 | 71.0° | 62.9° |
| O5 | C1 | C2 | C3 | 52.2° | 57.6° |
| O5 | C1 | C2 | O2 | 69.4° | 62.3° |
| O5 | C1 | C2 | O1 | 120.5° | 120.0° |
| O5 | C1 | C2 | H1 | 121.1° | 120.0° |
| O5 | C1 | O1 | H1 | 120.0° | 120.0° |
| O5 | C1 | O1 | C7 | 66.0° | 70.0° |
| C1 | O5 | C5 | H5 | 64.0° | 58.9° |
| O5 | C1 | C2 | H2 | 172.2° | 177.5° |
| O4 | C4 | C3 | H4 | 118.4° | 120.2° |
| O4 | C4 | C3 | O3 | 65.0° | 63.3° |
| O4 | C4 | C3 | C2 | 173.9° | 176.9° |
| O4 | C4 | C5 | H5 | 61.6° | 57.6° |
| O4 | C4 | C3 | H3 | 55.0° | 56.9° |
| C4 | C3 | O3 | C2 | 123.5° | 119.5° |
| C4 | C3 | O3 | H3 | 119.4° | 120.2° |
| C4 | C3 | C2 | H3 | 119.3° | 119.9° |
| C4 | C3 | C2 | O2 | 72.9° | 62.9° |
| C4 | C3 | C2 | C1 | 47.6° | 57.0° |
| C3 | C4 | C5 | H5 | 67.7° | 62.3° |
| C3 | C4 | O4 | HO4 | 53.0° | 60.3° |
| C4 | C3 | O3 | HO3 | 180.0° | 180.0° |
| C4 | C3 | C2 | H2 | 167.7° | 177.0° |
| O3 | C3 | C2 | H3 | 118.0° | 120.3° |
| O3 | C3 | C2 | O2 | 49.9° | 56.9° |
| O3 | C3 | C2 | C1 | 170.4° | 176.8° |
| O3 | C3 | C4 | H4 | 53.3° | 56.9° |
| O3 | C3 | C2 | H2 | 69.5° | 63.2° |
| C3 | C2 | O2 | C1 | 124.0° | 119.7° |
| C3 | C2 | O2 | H2 | 118.5° | 120.1° |
| C3 | C2 | C1 | H2 | 120.0° | 119.9° |
| C3 | C2 | C1 | O1 | 68.3° | 62.3° |
| C2 | C3 | C4 | H4 | 67.7° | 62.9° |
| C3 | C2 | C1 | H1 | 173.3° | 177.7° |
| C2 | C3 | O3 | HO3 | 56.5° | 60.5° |
| C3 | C2 | O2 | HO2 | 180.0° | 180.0° |
| O2 | C2 | C1 | H2 | 118.4° | 120.2° |
| O2 | C2 | C1 | O1 | 170.1° | 177.7° |
| O2 | C2 | C1 | H1 | 51.7° | 57.7° |
| O2 | C2 | C3 | H3 | 167.9° | 177.2° |
| C2 | C1 | O1 | H1 | 117.4° | 120.0° |
| C2 | C1 | O1 | C7 | 171.4° | 170.1° |
| C1 | C2 | C3 | H3 | 71.6° | 62.9° |
| C1 | C2 | O2 | HO2 | 56.0° | 60.2° |
| C1 | O1 | C7 | C8 | 174.4° | 180.0° |
| O1 | C1 | C2 | H2 | 51.7° | 57.5° |
| C1 | O1 | C7 | H71C | 54.2° | 60.0° |
| C1 | O1 | C7 | H72C | 65.3° | 60.0° |
| O1 | C7 | C8 | H71C | 120.3° | 120.0° |
| O1 | C7 | C8 | H72C | 120.3° | 120.0° |
| O1 | C7 | C8 | C9 | 118.9° | 99.6° |
| C7 | O1 | C1 | H1 | 54.0° | 50.1° |
| O1 | C7 | H71C | H72C | 119.3° | 120.0° |
| C7 | C8 | C9 | C10 | 27.6° | 171.8° |
| C8 | C7 | H71C | H72C | 119.2° | 120.0° |
| C8 | C9 | C10 | C15 | 53.7° | 107.8° |
| C8 | C9 | C10 | C11 | 125.5° | 71.9° |
| C9 | C8 | C7 | H71C | 1.3° | 20.4° |
| C9 | C8 | C7 | H72C | 120.8° | 140.4° |
| C9 | C10 | C15 | C11 | 179.2° | 179.8° |
| C9 | C10 | C15 | C14 | 179.0° | 180.0° |
| C9 | C10 | C11 | N12 | 179.4° | 179.6° |
| C9 | C10 | C15 | H15 | 1.0° | 0.0° |
| C9 | C10 | C11 | H11 | 0.6° | 0.0° |
| C10 | C15 | C14 | H15 | 180.0° | 179.9° |
| C10 | C15 | C14 | C13 | 0.9° | 0.0° |
| C15 | C10 | C11 | N12 | 0.2° | 0.6° |
| C15 | C10 | C11 | H11 | 179.8° | 179.7° |
| C10 | C15 | C14 | H14 | 179.1° | 180.0° |
| C11 | C10 | C15 | C14 | 0.2° | 0.3° |
| C10 | C11 | N12 | C13 | 0.0° | 0.7° |
| C10 | C11 | N12 | H11 | 180.0° | 179.6° |
| C11 | C10 | C15 | H15 | 179.8° | 179.8° |
| C15 | C14 | C13 | H14 | 180.0° | 180.0° |
| C15 | C14 | C13 | N12 | 1.2° | 0.0° |
| C15 | C14 | C13 | H13 | 178.8° | 180.0° |
| C14 | C13 | N12 | H13 | 180.0° | 180.0° |
| C14 | C13 | N12 | C11 | 0.7° | 0.3° |
| C13 | C14 | C15 | H15 | 179.1° | 179.9° |
| C13 | N12 | C11 | H11 | 179.9° | 179.7° |
| N12 | C13 | C14 | H14 | 178.8° | 179.9° |
| C11 | N12 | C13 | H13 | 179.2° | 179.7° |
| HO6 | O6 | C6 | H61 | 58.5° | 60.0° |
| HO6 | O6 | C6 | H62 | 58.5° | 60.0° |
| H61 | C6 | C5 | H5 | 77.5° | 175.0° |
| H62 | C6 | C5 | H5 | 39.6° | 65.0° |
| H5 | C5 | C4 | H4 | 176.4° | 177.6° |
| H4 | C4 | O4 | HO4 | 65.4° | 59.9° |
| H4 | C4 | C3 | H3 | 173.3° | 177.1° |
| H1 | C1 | C2 | H2 | 66.8° | 62.4° |
| H3 | C3 | O3 | HO3 | 60.6° | 59.8° |
| H3 | C3 | C2 | H2 | 48.4° | 57.1° |
| H2 | C2 | O2 | HO2 | 61.5° | 59.9° |
| H15 | C15 | C14 | H14 | 0.9° | 0.0° |
| H14 | C14 | C13 | H13 | 1.2° | 0.0° |
