QGL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C14 | sing | 1.53Å | 1.51Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C12 | C9 | sing | 1.53Å | 1.53Å | |
| C9 | C8 | sing | 1.53Å | 1.52Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C8 | O1 | sing | 1.45Å | 1.45Å | |
| O1 | C7 | sing | 1.35Å | 1.34Å | |
| C5 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.37Å | Aromatic |
| C7 | C6 | sing | 1.48Å | 1.49Å | |
| C7 | O2 | doub | 1.21Å | 1.21Å | |
| C6 | C1 | doub | 1.41Å | 1.41Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | C | sing | 1.48Å | 1.49Å | |
| O3 | C | doub | 1.21Å | 1.22Å | |
| C | O | sing | 1.35Å | 1.31Å | |
| O | H | sing | 0.97Å | 0.95Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C14 | C13 | 112.9° | 109.5° |
| C15 | C14 | H18 | 108.6° | 109.5° |
| C15 | C14 | H17 | 108.6° | 109.5° |
| C14 | C15 | H20 | 109.5° | 109.4° |
| C14 | C15 | H21 | 109.5° | 109.4° |
| C14 | C15 | H19 | 109.5° | 109.5° |
| C14 | C13 | C12 | 113.0° | 109.5° |
| C14 | C13 | H16 | 108.6° | 109.5° |
| C14 | C13 | H15 | 108.6° | 109.5° |
| C13 | C14 | H18 | 108.6° | 109.5° |
| C13 | C14 | H17 | 108.6° | 109.5° |
| C13 | C12 | C9 | 115.6° | 109.5° |
| C13 | C12 | H14 | 107.9° | 109.5° |
| C13 | C12 | H13 | 107.9° | 109.4° |
| C12 | C13 | H16 | 108.6° | 109.4° |
| C12 | C13 | H15 | 108.6° | 109.4° |
| C12 | C9 | C8 | 115.1° | 109.5° |
| C12 | C9 | C10 | 112.1° | 109.5° |
| C9 | C12 | H14 | 107.9° | 109.5° |
| C9 | C12 | H13 | 107.9° | 109.5° |
| C12 | C9 | H7 | 105.8° | 109.5° |
| C8 | C9 | C10 | 111.1° | 109.5° |
| C9 | C8 | O1 | 109.7° | 109.4° |
| C9 | C8 | H5 | 109.4° | 109.5° |
| C9 | C8 | H6 | 109.4° | 109.5° |
| C8 | C9 | H7 | 106.0° | 109.5° |
| C9 | C10 | C11 | 114.2° | 109.5° |
| C9 | C10 | H9 | 108.3° | 109.5° |
| C9 | C10 | H8 | 108.3° | 109.4° |
| C10 | C9 | H7 | 105.9° | 109.4° |
| C11 | C10 | H9 | 108.3° | 109.5° |
| C11 | C10 | H8 | 108.3° | 109.5° |
| C10 | C11 | H12 | 109.5° | 109.4° |
| C10 | C11 | H10 | 109.4° | 109.5° |
| C10 | C11 | H11 | 109.5° | 109.4° |
| C8 | O1 | C7 | 116.9° | 117.0° |
| O1 | C8 | H5 | 109.4° | 109.4° |
| O1 | C8 | H6 | 109.4° | 109.5° |
| O1 | C7 | C6 | 112.2° | 120.0° |
| O1 | C7 | O2 | 123.8° | 120.0° |
| C4 | C5 | C6 | 120.2° | 120.0° |
| C5 | C4 | C3 | 120.3° | 120.4° |
| C5 | C4 | H3 | 119.8° | 119.8° |
| C4 | C5 | H4 | 119.9° | 120.0° |
| C5 | C6 | C7 | 117.8° | 120.3° |
| C5 | C6 | C1 | 119.5° | 119.6° |
| C6 | C5 | H4 | 119.9° | 120.0° |
| C4 | C3 | C2 | 120.4° | 120.4° |
| C4 | C3 | H2 | 119.8° | 119.8° |
| C3 | C4 | H3 | 119.8° | 119.7° |
| C6 | C7 | O2 | 124.0° | 120.1° |
| C7 | C6 | C1 | 122.7° | 120.2° |
| C6 | C1 | C2 | 119.3° | 119.6° |
| C6 | C1 | C | 123.7° | 120.2° |
| C3 | C2 | C1 | 120.3° | 120.0° |
| C3 | C2 | H1 | 119.9° | 120.0° |
| C2 | C3 | H2 | 119.8° | 119.8° |
| C2 | C1 | C | 117.1° | 120.2° |
| C1 | C2 | H1 | 119.9° | 120.0° |
| C1 | C | O3 | 122.5° | 120.0° |
| C1 | C | O | 114.3° | 120.0° |
| O3 | C | O | 123.2° | 120.0° |
| C | O | H | 109.5° | 117.1° |
| H9 | C10 | H8 | 109.5° | 109.5° |
| H12 | C11 | H10 | 109.4° | 109.5° |
| H12 | C11 | H11 | 109.4° | 109.4° |
| H10 | C11 | H11 | 109.5° | 109.5° |
| H14 | C12 | H13 | 109.5° | 109.4° |
| H16 | C13 | H15 | 109.5° | 109.5° |
| H18 | C14 | H17 | 109.5° | 109.5° |
| H20 | C15 | H21 | 109.5° | 109.5° |
| H20 | C15 | H19 | 109.5° | 109.5° |
| H21 | C15 | H19 | 109.4° | 109.5° |
| H5 | C8 | H6 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C14 | C13 | H18 | 120.5° | 120.0° |
| C15 | C14 | C13 | H17 | 120.5° | 120.0° |
| C15 | C14 | C13 | C12 | 173.1° | 180.0° |
| C15 | C14 | C13 | H16 | 66.4° | 60.0° |
| C15 | C14 | C13 | H15 | 52.6° | 60.0° |
| C15 | C14 | H18 | H17 | 118.4° | 120.0° |
| C14 | C15 | H20 | H21 | 120.0° | 119.9° |
| C14 | C15 | H20 | H19 | 120.0° | 120.0° |
| C14 | C15 | H21 | H19 | 120.0° | 120.0° |
| C14 | C13 | C12 | H16 | 120.5° | 120.0° |
| C14 | C13 | C12 | H15 | 120.5° | 120.0° |
| C14 | C13 | C12 | C9 | 171.0° | 175.8° |
| C14 | C13 | C12 | H14 | 68.1° | 55.8° |
| C14 | C13 | C12 | H13 | 50.1° | 64.1° |
| C14 | C13 | H16 | H15 | 118.4° | 120.1° |
| C13 | C14 | H18 | H17 | 118.4° | 120.0° |
| C13 | C14 | C15 | H20 | 180.0° | 60.0° |
| C13 | C14 | C15 | H21 | 60.0° | 60.0° |
| C13 | C14 | C15 | H19 | 60.0° | 180.0° |
| C13 | C12 | C9 | H14 | 120.9° | 120.0° |
| C13 | C12 | C9 | H13 | 120.9° | 120.0° |
| C13 | C12 | C9 | C8 | 65.4° | 65.7° |
| C13 | C12 | C9 | C10 | 166.3° | 174.3° |
| C13 | C12 | H14 | H13 | 117.2° | 119.9° |
| C12 | C13 | H16 | H15 | 118.4° | 119.9° |
| C12 | C13 | C14 | H18 | 52.6° | 60.0° |
| C12 | C13 | C14 | H17 | 66.4° | 60.0° |
| C13 | C12 | C9 | H7 | 51.3° | 54.4° |
| C12 | C9 | C8 | C10 | 128.8° | 120.0° |
| C12 | C9 | C8 | H7 | 116.6° | 120.0° |
| C12 | C9 | C10 | H7 | 115.0° | 120.0° |
| C12 | C9 | C10 | C11 | 83.1° | 65.4° |
| C12 | C9 | C8 | O1 | 61.7° | 175.0° |
| C12 | C9 | C10 | H9 | 156.2° | 54.7° |
| C12 | C9 | C10 | H8 | 37.6° | 174.7° |
| C9 | C12 | H14 | H13 | 117.2° | 120.0° |
| C9 | C12 | C13 | H16 | 50.5° | 55.8° |
| C9 | C12 | C13 | H15 | 68.5° | 64.2° |
| C12 | C9 | C8 | H5 | 178.3° | 55.0° |
| C12 | C9 | C8 | H6 | 58.4° | 65.0° |
| C8 | C9 | C10 | H7 | 114.7° | 120.0° |
| C8 | C9 | C10 | C11 | 146.5° | 174.6° |
| C9 | C8 | O1 | H5 | 120.0° | 120.0° |
| C9 | C8 | O1 | H6 | 120.0° | 120.0° |
| C9 | C8 | O1 | C7 | 139.6° | 180.0° |
| C8 | C9 | C10 | H9 | 25.8° | 65.3° |
| C8 | C9 | C10 | H8 | 92.8° | 54.7° |
| C8 | C9 | C12 | H14 | 55.5° | 54.4° |
| C8 | C9 | C12 | H13 | 173.7° | 174.3° |
| C9 | C8 | H5 | H6 | 119.9° | 120.1° |
| C9 | C10 | C11 | H9 | 120.7° | 120.0° |
| C9 | C10 | C11 | H8 | 120.7° | 120.0° |
| C10 | C9 | C8 | O1 | 67.1° | 65.0° |
| C9 | C10 | H9 | H8 | 117.9° | 120.0° |
| C9 | C10 | C11 | H12 | 180.0° | 55.5° |
| C9 | C10 | C11 | H10 | 60.0° | 64.5° |
| C9 | C10 | C11 | H11 | 60.0° | 175.4° |
| C10 | C9 | C12 | H14 | 72.8° | 65.6° |
| C10 | C9 | C12 | H13 | 45.3° | 54.3° |
| C10 | C9 | C8 | H5 | 52.9° | 175.0° |
| C10 | C9 | C8 | H6 | 172.8° | 55.0° |
| C11 | C10 | H9 | H8 | 117.9° | 120.0° |
| C10 | C11 | H12 | H10 | 120.0° | 120.0° |
| C10 | C11 | H12 | H11 | 120.0° | 119.9° |
| C10 | C11 | H10 | H11 | 120.0° | 120.0° |
| C11 | C10 | C9 | H7 | 31.8° | 54.7° |
| C8 | O1 | C7 | C6 | 164.1° | 180.0° |
| C8 | O1 | C7 | O2 | 14.0° | 0.0° |
| O1 | C8 | H5 | H6 | 119.9° | 120.0° |
| O1 | C8 | C9 | H7 | 178.3° | 54.9° |
| O1 | C7 | C6 | C5 | 43.6° | 54.7° |
| O1 | C7 | C6 | O2 | 178.1° | 179.9° |
| O1 | C7 | C6 | C1 | 137.3° | 124.7° |
| C7 | O1 | C8 | H5 | 19.5° | 60.0° |
| C7 | O1 | C8 | H6 | 100.4° | 60.0° |
| C4 | C5 | C6 | H4 | 180.0° | 179.7° |
| C5 | C4 | C3 | H3 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 179.3° | 179.9° |
| C4 | C5 | C6 | C1 | 0.1° | 0.6° |
| C5 | C4 | C3 | C2 | 0.3° | 0.0° |
| C5 | C4 | C3 | H2 | 179.7° | 180.0° |
| C6 | C5 | C4 | C3 | 0.3° | 0.4° |
| C5 | C6 | C7 | C1 | 179.1° | 179.4° |
| C5 | C6 | C7 | O2 | 134.5° | 125.3° |
| C5 | C6 | C1 | C2 | 0.4° | 0.6° |
| C5 | C6 | C1 | C | 178.6° | 179.7° |
| C6 | C5 | C4 | H3 | 179.8° | 179.7° |
| C4 | C3 | C2 | H2 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 0.0° | 0.0° |
| C4 | C3 | C2 | H1 | 180.0° | 180.0° |
| C3 | C4 | C5 | H4 | 179.8° | 180.0° |
| C7 | C6 | C1 | C2 | 179.5° | 180.0° |
| C7 | C6 | C1 | C | 0.5° | 0.3° |
| C7 | C6 | C5 | H4 | 0.7° | 0.3° |
| O2 | C7 | C6 | C1 | 44.6° | 55.3° |
| C6 | C1 | C2 | C3 | 0.3° | 0.3° |
| C6 | C1 | C2 | C | 179.0° | 179.7° |
| C6 | C1 | C | O3 | 24.6° | 7.0° |
| C6 | C1 | C | O | 155.5° | 172.8° |
| C6 | C1 | C2 | H1 | 179.7° | 179.7° |
| C1 | C6 | C5 | H4 | 179.9° | 179.7° |
| C3 | C2 | C1 | H1 | 180.0° | 180.0° |
| C3 | C2 | C1 | C | 178.7° | 180.0° |
| C2 | C3 | C4 | H3 | 179.7° | 180.0° |
| C2 | C1 | C | O3 | 156.4° | 173.3° |
| C2 | C1 | C | O | 23.5° | 7.0° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C | O3 | O | 179.9° | 179.7° |
| C1 | C | O | H | 179.9° | 179.9° |
| C | C1 | C2 | H1 | 1.3° | 0.0° |
| O3 | C | O | H | 0.0° | 0.3° |
| H9 | C10 | C11 | H12 | 59.3° | 64.5° |
| H9 | C10 | C11 | H10 | 179.3° | 175.4° |
| H9 | C10 | C11 | H11 | 60.7° | 55.4° |
| H9 | C10 | C9 | H7 | 88.9° | 174.7° |
| H8 | C10 | C11 | H12 | 59.3° | 175.5° |
| H8 | C10 | C11 | H10 | 60.7° | 55.4° |
| H8 | C10 | C11 | H11 | 179.3° | 64.6° |
| H8 | C10 | C9 | H7 | 152.5° | 65.3° |
| H12 | C11 | H10 | H11 | 120.0° | 120.0° |
| H14 | C12 | C13 | H16 | 171.4° | 64.3° |
| H14 | C12 | C13 | H15 | 52.4° | 175.8° |
| H14 | C12 | C9 | H7 | 172.2° | 174.4° |
| H13 | C12 | C13 | H16 | 70.4° | 175.9° |
| H13 | C12 | C13 | H15 | 170.6° | 55.9° |
| H13 | C12 | C9 | H7 | 69.6° | 65.7° |
| H16 | C13 | C14 | H18 | 173.1° | 180.0° |
| H16 | C13 | C14 | H17 | 54.1° | 60.0° |
| H15 | C13 | C14 | H18 | 67.9° | 60.0° |
| H15 | C13 | C14 | H17 | 173.1° | 180.0° |
| H18 | C14 | C15 | H20 | 59.5° | 180.0° |
| H18 | C14 | C15 | H21 | 60.5° | 60.0° |
| H18 | C14 | C15 | H19 | 179.5° | 60.0° |
| H17 | C14 | C15 | H20 | 59.5° | 60.0° |
| H17 | C14 | C15 | H21 | 179.5° | 180.0° |
| H17 | C14 | C15 | H19 | 60.5° | 60.0° |
| H20 | C15 | H21 | H19 | 120.0° | 120.1° |
| H1 | C2 | C3 | H2 | 0.0° | 0.0° |
| H2 | C3 | C4 | H3 | 0.3° | 0.0° |
| H3 | C4 | C5 | H4 | 0.2° | 0.0° |
| H5 | C8 | C9 | H7 | 61.7° | 65.0° |
| H6 | C8 | C9 | H7 | 58.2° | 174.9° |
