LQU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.51Å | 1.52Å | |
| O | C1 | doub | 1.21Å | 1.22Å | |
| C1 | N | sing | 1.35Å | 1.35Å | |
| N1 | C9 | trip | 1.14Å | 1.14Å | |
| C9 | C8 | sing | 1.43Å | 1.44Å | |
| N | C2 | sing | 1.47Å | 1.47Å | |
| N | C17 | sing | 1.47Å | 1.47Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C10 | C8 | doub | 1.40Å | 1.39Å | Aromatic |
| C10 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.40Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.51Å | 1.51Å | |
| C3 | C4 | sing | 1.51Å | 1.52Å | |
| C3 | C11 | sing | 1.51Å | 1.51Å | |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| C15 | H6 | sing | 1.08Å | 1.08Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H12 | sing | 1.08Å | 1.08Å | |
| C | H13 | sing | 1.09Å | 1.10Å | |
| C | H14 | sing | 1.09Å | 1.10Å | |
| C | H15 | sing | 1.09Å | 1.10Å | |
| C3 | H16 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | O | 120.5° | 120.0° |
| C | C1 | N | 117.3° | 120.0° |
| C1 | C | H13 | 109.5° | 109.5° |
| C1 | C | H14 | 109.5° | 109.5° |
| C1 | C | H15 | 109.5° | 109.5° |
| O | C1 | N | 122.1° | 120.0° |
| C1 | N | C2 | 125.6° | 121.4° |
| C1 | N | C17 | 121.1° | 121.3° |
| N1 | C9 | C8 | 178.2° | 180.0° |
| C9 | C8 | C10 | 119.9° | 120.2° |
| C9 | C8 | C7 | 119.8° | 120.1° |
| C2 | N | C17 | 113.2° | 117.3° |
| N | C2 | C3 | 118.5° | 107.9° |
| N | C2 | H9 | 107.2° | 109.8° |
| N | C2 | H10 | 107.1° | 109.7° |
| N | C17 | C16 | 110.9° | 109.7° |
| N | C17 | H7 | 109.1° | 109.4° |
| N | C17 | H8 | 109.1° | 109.4° |
| C2 | C3 | C4 | 114.8° | 109.2° |
| C2 | C3 | C11 | 112.1° | 110.8° |
| C3 | C2 | H9 | 107.2° | 109.8° |
| C3 | C2 | H10 | 107.2° | 109.8° |
| C2 | C3 | H16 | 104.5° | 109.2° |
| C8 | C10 | C4 | 120.3° | 119.9° |
| C10 | C8 | C7 | 120.0° | 119.7° |
| C8 | C10 | H4 | 119.9° | 120.1° |
| C10 | C4 | C3 | 121.8° | 120.0° |
| C10 | C4 | C5 | 119.0° | 120.1° |
| C4 | C10 | H4 | 119.9° | 120.0° |
| C8 | C7 | C6 | 119.7° | 119.8° |
| C8 | C7 | H3 | 120.1° | 120.1° |
| C17 | C16 | C11 | 118.0° | 122.4° |
| C17 | C16 | C15 | 122.6° | 117.8° |
| C16 | C17 | H7 | 109.1° | 109.5° |
| C16 | C17 | H8 | 109.1° | 109.4° |
| C4 | C3 | C11 | 114.7° | 109.2° |
| C3 | C4 | C5 | 119.2° | 119.9° |
| C4 | C3 | H16 | 104.6° | 109.2° |
| C3 | C11 | C16 | 119.4° | 122.9° |
| C3 | C11 | C12 | 121.1° | 117.6° |
| C11 | C3 | H16 | 104.8° | 109.2° |
| C4 | C5 | C6 | 120.8° | 120.3° |
| C4 | C5 | H1 | 119.6° | 119.8° |
| C7 | C6 | C5 | 120.2° | 120.2° |
| C7 | C6 | H2 | 119.9° | 119.9° |
| C6 | C7 | H3 | 120.1° | 120.1° |
| C11 | C16 | C15 | 119.4° | 119.8° |
| C16 | C11 | C12 | 119.3° | 119.5° |
| C16 | C15 | C14 | 120.6° | 120.5° |
| C16 | C15 | H6 | 119.7° | 119.7° |
| C11 | C12 | C13 | 120.7° | 120.6° |
| C11 | C12 | H11 | 119.6° | 119.7° |
| C6 | C5 | H1 | 119.6° | 119.9° |
| C5 | C6 | H2 | 119.9° | 120.0° |
| C15 | C14 | C13 | 120.1° | 119.8° |
| C14 | C15 | H6 | 119.7° | 119.8° |
| C15 | C14 | H12 | 119.9° | 120.1° |
| C12 | C13 | C14 | 119.9° | 119.8° |
| C12 | C13 | H5 | 120.1° | 120.1° |
| C13 | C12 | H11 | 119.6° | 119.7° |
| C14 | C13 | H5 | 120.0° | 120.1° |
| C13 | C14 | H12 | 120.0° | 120.1° |
| H7 | C17 | H8 | 109.5° | 109.4° |
| H9 | C2 | H10 | 109.5° | 109.8° |
| H13 | C | H14 | 109.5° | 109.5° |
| H13 | C | H15 | 109.4° | 109.5° |
| H14 | C | H15 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | O | N | 178.2° | 180.0° |
| C | C1 | N | C2 | 4.0° | 174.4° |
| C | C1 | N | C17 | 173.2° | 5.5° |
| C1 | C | H13 | H14 | 120.0° | 120.0° |
| C1 | C | H13 | H15 | 120.0° | 120.0° |
| C1 | C | H14 | H15 | 120.0° | 120.0° |
| O | C1 | N | C2 | 177.8° | 5.5° |
| O | C1 | N | C17 | 5.0° | 174.5° |
| O | C1 | C | H13 | 0.0° | 175.1° |
| O | C1 | C | H14 | 120.0° | 55.2° |
| O | C1 | C | H15 | 120.0° | 64.8° |
| C1 | N | C2 | C17 | 177.4° | 180.0° |
| C1 | N | C2 | C3 | 157.3° | 115.7° |
| C1 | N | C17 | C16 | 127.6° | 135.7° |
| C1 | N | C17 | H7 | 112.2° | 15.6° |
| C1 | N | C17 | H8 | 7.4° | 104.3° |
| C1 | N | C2 | H9 | 36.0° | 124.6° |
| C1 | N | C2 | H10 | 81.4° | 3.8° |
| N | C1 | C | H13 | 178.3° | 4.9° |
| N | C1 | C | H14 | 58.2° | 124.8° |
| N | C1 | C | H15 | 61.7° | 115.2° |
| N1 | C9 | C8 | C10 | 152.3° | 18.0° |
| N1 | C9 | C8 | C7 | 21.4° | 162.1° |
| C9 | C8 | C10 | C7 | 173.7° | 179.9° |
| C9 | C8 | C10 | C4 | 172.1° | 179.9° |
| C9 | C8 | C7 | C6 | 171.3° | 180.0° |
| C9 | C8 | C7 | H3 | 8.7° | 0.1° |
| C9 | C8 | C10 | H4 | 7.9° | 0.0° |
| N | C2 | C3 | H9 | 121.3° | 119.7° |
| N | C2 | C3 | H10 | 121.3° | 119.5° |
| C2 | N | C17 | C16 | 54.9° | 44.4° |
| N | C2 | C3 | C4 | 151.5° | 167.9° |
| N | C2 | C3 | C11 | 18.4° | 47.6° |
| C2 | N | C17 | H7 | 65.3° | 164.5° |
| C2 | N | C17 | H8 | 175.1° | 75.7° |
| N | C2 | H9 | H10 | 115.9° | 120.7° |
| N | C2 | C3 | H16 | 94.5° | 72.8° |
| C17 | N | C2 | C3 | 25.2° | 64.3° |
| N | C17 | C16 | H7 | 120.2° | 120.1° |
| N | C17 | C16 | H8 | 120.2° | 120.0° |
| N | C17 | C16 | C11 | 40.9° | 11.5° |
| N | C17 | C16 | C15 | 140.3° | 168.8° |
| N | C17 | H7 | H8 | 119.3° | 119.9° |
| C17 | N | C2 | H9 | 146.6° | 55.4° |
| C17 | N | C2 | H10 | 96.0° | 176.2° |
| C2 | C3 | C4 | C10 | 50.4° | 119.7° |
| C2 | C3 | C4 | C11 | 131.8° | 121.3° |
| C2 | C3 | C4 | H16 | 114.0° | 119.4° |
| C2 | C3 | C11 | H16 | 112.8° | 120.4° |
| C2 | C3 | C4 | C5 | 128.6° | 59.9° |
| C2 | C3 | C11 | C16 | 34.1° | 20.2° |
| C2 | C3 | C11 | C12 | 151.2° | 160.5° |
| C3 | C2 | H9 | H10 | 115.9° | 120.8° |
| C8 | C10 | C4 | H4 | 180.0° | 180.0° |
| C8 | C10 | C4 | C3 | 178.9° | 179.7° |
| C8 | C10 | C4 | C5 | 0.2° | 0.1° |
| C10 | C8 | C7 | C6 | 2.4° | 0.1° |
| C10 | C8 | C7 | H3 | 177.6° | 180.0° |
| C4 | C10 | C8 | C7 | 1.7° | 0.0° |
| C10 | C4 | C3 | C5 | 179.1° | 179.6° |
| C10 | C4 | C3 | C11 | 81.4° | 119.0° |
| C10 | C4 | C5 | C6 | 1.3° | 0.1° |
| C10 | C4 | C5 | H1 | 178.7° | 179.9° |
| C10 | C4 | C3 | H16 | 164.4° | 0.3° |
| C8 | C7 | C6 | H3 | 180.0° | 179.9° |
| C8 | C7 | C6 | C5 | 1.3° | 0.1° |
| C8 | C7 | C6 | H2 | 178.7° | 180.0° |
| C7 | C8 | C10 | H4 | 178.3° | 180.0° |
| C17 | C16 | C11 | C3 | 4.6° | 1.4° |
| C17 | C16 | C11 | C15 | 178.8° | 179.7° |
| C17 | C16 | C11 | C12 | 179.5° | 179.3° |
| C17 | C16 | C15 | C14 | 178.4° | 179.6° |
| C17 | C16 | C15 | H6 | 1.6° | 0.4° |
| C16 | C17 | H7 | H8 | 119.3° | 119.9° |
| C4 | C3 | C11 | H16 | 114.1° | 119.3° |
| C4 | C3 | C11 | C16 | 167.2° | 140.5° |
| C4 | C3 | C11 | C12 | 18.1° | 40.1° |
| C3 | C4 | C5 | C6 | 177.8° | 179.7° |
| C3 | C4 | C5 | H1 | 2.2° | 0.3° |
| C3 | C4 | C10 | H4 | 1.1° | 0.3° |
| C4 | C3 | C2 | H9 | 30.2° | 48.2° |
| C4 | C3 | C2 | H10 | 87.3° | 72.6° |
| C11 | C3 | C4 | C5 | 99.6° | 61.4° |
| C3 | C11 | C16 | C12 | 174.8° | 179.3° |
| C3 | C11 | C16 | C15 | 174.1° | 178.9° |
| C3 | C11 | C12 | C13 | 173.5° | 178.8° |
| C11 | C3 | C2 | H9 | 102.9° | 72.1° |
| C11 | C3 | C2 | H10 | 139.7° | 167.1° |
| C3 | C11 | C12 | H11 | 6.5° | 1.1° |
| C4 | C5 | C6 | C7 | 0.6° | 0.0° |
| C4 | C5 | C6 | H1 | 180.0° | 180.0° |
| C4 | C5 | C6 | H2 | 179.4° | 179.9° |
| C5 | C4 | C10 | H4 | 179.8° | 179.9° |
| C5 | C4 | C3 | H16 | 14.7° | 179.3° |
| C7 | C6 | C5 | H2 | 180.0° | 179.9° |
| C7 | C6 | C5 | H1 | 179.5° | 180.0° |
| C11 | C16 | C15 | C14 | 0.3° | 0.1° |
| C16 | C11 | C12 | C13 | 1.2° | 0.6° |
| C11 | C16 | C15 | H6 | 179.7° | 179.9° |
| C11 | C16 | C17 | H7 | 79.3° | 131.6° |
| C11 | C16 | C17 | H8 | 161.1° | 108.5° |
| C16 | C11 | C12 | H11 | 178.8° | 179.5° |
| C16 | C11 | C3 | H16 | 78.7° | 100.2° |
| C15 | C16 | C11 | C12 | 0.7° | 0.4° |
| C16 | C15 | C14 | H6 | 180.0° | 180.0° |
| C16 | C15 | C14 | C13 | 0.8° | 0.1° |
| C15 | C16 | C17 | H7 | 99.4° | 48.8° |
| C15 | C16 | C17 | H8 | 20.1° | 71.1° |
| C16 | C15 | C14 | H12 | 179.2° | 179.9° |
| C11 | C12 | C13 | H11 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.7° | 0.4° |
| C11 | C12 | C13 | H5 | 179.3° | 179.9° |
| C12 | C11 | C3 | H16 | 96.0° | 79.2° |
| C5 | C6 | C7 | H3 | 178.7° | 180.0° |
| C15 | C14 | C13 | C12 | 0.3° | 0.1° |
| C15 | C14 | C13 | H12 | 180.0° | 179.9° |
| C15 | C14 | C13 | H5 | 179.7° | 179.7° |
| C12 | C13 | C14 | H5 | 180.0° | 179.6° |
| C12 | C13 | C14 | H12 | 179.7° | 179.9° |
| C13 | C14 | C15 | H6 | 179.2° | 180.0° |
| C14 | C13 | C12 | H11 | 179.3° | 179.7° |
| H1 | C5 | C6 | H2 | 0.5° | 0.1° |
| H2 | C6 | C7 | H3 | 1.3° | 0.1° |
| H5 | C13 | C12 | H11 | 0.7° | 0.0° |
| H5 | C13 | C14 | H12 | 0.3° | 0.3° |
| H6 | C15 | C14 | H12 | 0.8° | 0.1° |
| H9 | C2 | C3 | H16 | 144.2° | 167.5° |
| H10 | C2 | C3 | H16 | 26.8° | 46.7° |
| H13 | C | H14 | H15 | 120.0° | 120.0° |
