LZQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C06 | C01 | doub | 1.40Å | 1.46Å | Aromatic |
| C02 | C01 | sing | 1.38Å | 1.45Å | Aromatic |
| C01 | H01 | sing | 1.08Å | 1.08Å | |
| C06 | C07 | sing | 1.47Å | 1.42Å | |
| C07 | C08 | sing | 1.51Å | 1.50Å | |
| C07 | O02 | doub | 1.21Å | 1.33Å | |
| C08 | C09 | sing | 1.51Å | 1.57Å | |
| C09 | C10 | sing | 1.49Å | 1.34Å | |
| C09 | O10 | doub | 1.21Å | 1.23Å | |
| O01 | C10 | doub | 1.21Å | 1.47Å | |
| C10 | O11 | sing | 1.35Å | 1.24Å | |
| C18 | C13 | doub | 1.38Å | 1.49Å | Aromatic |
| C11 | C13 | sing | 1.51Å | 1.60Å | |
| C13 | C14 | sing | 1.38Å | 1.48Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.49Å | Aromatic |
| C19 | C12 | sing | 1.51Å | 1.60Å | |
| C19 | C24 | sing | 1.38Å | 1.47Å | Aromatic |
| C12 | N01 | sing | 1.46Å | 1.52Å | |
| C11 | N01 | sing | 1.46Å | 1.55Å | |
| N01 | C04 | sing | 1.40Å | 1.53Å | |
| C03 | C02 | doub | 1.38Å | 1.46Å | Aromatic |
| C02 | H02 | sing | 1.08Å | 1.08Å | |
| C14 | C15 | doub | 1.38Å | 1.48Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C21 | C20 | sing | 1.38Å | 1.48Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| O11 | HO11 | sing | 0.97Å | 0.95Å | |
| C04 | C03 | sing | 1.39Å | 1.46Å | Aromatic |
| C03 | H03 | sing | 1.08Å | 1.08Å | |
| C16 | C15 | sing | 1.38Å | 1.47Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C21 | C22 | doub | 1.38Å | 1.46Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C04 | C05 | doub | 1.39Å | 1.49Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.46Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C22 | C23 | sing | 1.38Å | 1.47Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C05 | C06 | sing | 1.40Å | 1.49Å | Aromatic |
| C05 | H05 | sing | 1.08Å | 1.08Å | |
| C18 | C17 | sing | 1.38Å | 1.49Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C23 | C24 | doub | 1.38Å | 1.48Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C08 | H08 | sing | 1.09Å | 1.10Å | |
| C08 | H08A | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C06 | C01 | C02 | 121.3° | 120.0° |
| C06 | C01 | H01 | 119.3° | 120.0° |
| C01 | C06 | C07 | 120.7° | 120.1° |
| C01 | C06 | C05 | 118.0° | 119.7° |
| C02 | C01 | H01 | 119.4° | 120.0° |
| C01 | C02 | C03 | 121.1° | 120.3° |
| C01 | C02 | H02 | 119.4° | 119.8° |
| C06 | C07 | C08 | 136.2° | 120.0° |
| C06 | C07 | O02 | 115.2° | 120.0° |
| C07 | C06 | C05 | 121.3° | 120.1° |
| C08 | C07 | O02 | 108.6° | 120.0° |
| C07 | C08 | C09 | 111.1° | 109.5° |
| C07 | C08 | H08 | 108.9° | 109.5° |
| C07 | C08 | H08A | 108.6° | 109.5° |
| C08 | C09 | C10 | 117.5° | 120.0° |
| C08 | C09 | O10 | 122.2° | 120.0° |
| C09 | C08 | H08 | 109.0° | 109.4° |
| C09 | C08 | H08A | 108.5° | 109.4° |
| C10 | C09 | O10 | 120.2° | 120.0° |
| C09 | C10 | O01 | 118.7° | 120.0° |
| C09 | C10 | O11 | 119.7° | 120.0° |
| O01 | C10 | O11 | 121.7° | 119.9° |
| C10 | O11 | HO11 | 109.5° | 117.0° |
| C18 | C13 | C11 | 121.2° | 120.0° |
| C18 | C13 | C14 | 118.4° | 120.0° |
| C13 | C18 | C17 | 120.7° | 120.0° |
| C13 | C18 | H18 | 119.7° | 120.0° |
| C11 | C13 | C14 | 120.4° | 120.0° |
| C13 | C11 | N01 | 114.7° | 109.5° |
| C13 | C11 | H11 | 107.8° | 109.5° |
| C13 | C11 | H11A | 106.6° | 109.4° |
| C13 | C14 | C15 | 120.4° | 120.0° |
| C13 | C14 | H14 | 119.8° | 120.0° |
| C20 | C19 | C12 | 119.3° | 120.0° |
| C20 | C19 | C24 | 118.8° | 120.0° |
| C19 | C20 | C21 | 120.6° | 120.0° |
| C19 | C20 | H20 | 119.7° | 120.0° |
| C12 | C19 | C24 | 121.9° | 120.0° |
| C19 | C12 | N01 | 118.8° | 109.5° |
| C19 | C12 | H12 | 106.5° | 109.5° |
| C19 | C12 | H12A | 104.3° | 109.5° |
| C19 | C24 | C23 | 120.1° | 120.0° |
| C19 | C24 | H24 | 119.9° | 120.0° |
| C12 | N01 | C11 | 119.9° | 120.0° |
| C12 | N01 | C04 | 118.7° | 120.0° |
| N01 | C12 | H12 | 106.5° | 109.5° |
| N01 | C12 | H12A | 104.3° | 109.5° |
| C11 | N01 | C04 | 121.4° | 120.0° |
| N01 | C11 | H11 | 107.8° | 109.5° |
| N01 | C11 | H11A | 106.6° | 109.5° |
| N01 | C04 | C03 | 121.0° | 120.0° |
| N01 | C04 | C05 | 120.5° | 120.0° |
| C03 | C02 | H02 | 119.5° | 119.9° |
| C02 | C03 | C04 | 120.2° | 120.3° |
| C02 | C03 | H03 | 119.9° | 119.9° |
| C15 | C14 | H14 | 119.8° | 120.0° |
| C14 | C15 | C16 | 120.7° | 120.0° |
| C14 | C15 | H15 | 119.6° | 120.0° |
| C21 | C20 | H20 | 119.7° | 120.0° |
| C20 | C21 | C22 | 120.1° | 120.0° |
| C20 | C21 | H21 | 119.9° | 120.0° |
| C04 | C03 | H03 | 119.9° | 119.8° |
| C03 | C04 | C05 | 118.5° | 120.0° |
| C16 | C15 | H15 | 119.7° | 120.0° |
| C15 | C16 | C17 | 119.7° | 120.0° |
| C15 | C16 | H16 | 120.1° | 120.0° |
| C22 | C21 | H21 | 120.0° | 120.0° |
| C21 | C22 | C23 | 119.6° | 120.0° |
| C21 | C22 | H22 | 120.2° | 120.0° |
| C04 | C05 | C06 | 120.9° | 119.7° |
| C04 | C05 | H05 | 119.5° | 120.1° |
| C17 | C16 | H16 | 120.1° | 120.0° |
| C16 | C17 | C18 | 120.0° | 120.0° |
| C16 | C17 | H17 | 120.0° | 120.0° |
| C23 | C22 | H22 | 120.3° | 120.0° |
| C22 | C23 | C24 | 120.9° | 120.0° |
| C22 | C23 | H23 | 119.6° | 120.0° |
| C06 | C05 | H05 | 119.6° | 120.2° |
| C18 | C17 | H17 | 120.0° | 120.0° |
| C17 | C18 | H18 | 119.6° | 120.0° |
| C24 | C23 | H23 | 119.5° | 120.0° |
| C23 | C24 | H24 | 120.0° | 120.0° |
| H08 | C08 | H08A | 110.8° | 109.5° |
| H11 | C11 | H11A | 113.6° | 109.4° |
| H12 | C12 | H12A | 117.2° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C06 | C01 | C02 | H01 | 180.0° | 179.7° |
| C01 | C06 | C07 | C05 | 179.7° | 179.4° |
| C01 | C06 | C07 | C08 | 117.4° | 0.6° |
| C01 | C06 | C07 | O02 | 62.9° | 179.4° |
| C06 | C01 | C02 | C03 | 0.0° | 0.3° |
| C06 | C01 | C02 | H02 | 180.0° | 179.7° |
| C01 | C06 | C05 | C04 | 0.1° | 0.6° |
| C01 | C06 | C05 | H05 | 179.9° | 179.7° |
| C02 | C01 | C06 | C07 | 179.6° | 180.0° |
| C01 | C02 | C03 | H02 | 180.0° | 180.0° |
| C01 | C02 | C03 | C04 | 0.1° | 0.1° |
| C01 | C02 | C03 | H03 | 179.9° | 179.9° |
| C02 | C01 | C06 | C05 | 0.1° | 0.6° |
| H01 | C01 | C06 | C07 | 0.4° | 0.3° |
| H01 | C01 | C02 | C03 | 180.0° | 180.0° |
| H01 | C01 | C02 | H02 | 0.0° | 0.0° |
| H01 | C01 | C06 | C05 | 179.9° | 179.7° |
| C06 | C07 | C08 | O02 | 179.7° | 180.0° |
| C06 | C07 | C08 | C09 | 88.5° | 180.0° |
| C07 | C06 | C05 | C04 | 179.7° | 180.0° |
| C07 | C06 | C05 | H05 | 0.4° | 0.3° |
| C06 | C07 | C08 | H08 | 31.5° | 60.0° |
| C06 | C07 | C08 | H08A | 152.2° | 60.0° |
| C07 | C08 | C09 | H08 | 120.0° | 120.0° |
| C07 | C08 | C09 | H08A | 119.3° | 120.0° |
| C07 | C08 | C09 | C10 | 179.7° | 180.0° |
| C07 | C08 | C09 | O10 | 0.2° | 0.0° |
| C08 | C07 | C06 | C05 | 62.9° | 180.0° |
| C07 | C08 | H08 | H08A | 119.3° | 120.0° |
| O02 | C07 | C08 | C09 | 91.8° | 0.0° |
| O02 | C07 | C06 | C05 | 116.8° | 0.0° |
| O02 | C07 | C08 | H08 | 148.2° | 120.0° |
| O02 | C07 | C08 | H08A | 27.5° | 120.0° |
| C08 | C09 | C10 | O10 | 179.9° | 180.0° |
| C08 | C09 | C10 | O01 | 50.8° | 0.0° |
| C08 | C09 | C10 | O11 | 129.4° | 180.0° |
| C09 | C08 | H08 | H08A | 119.3° | 119.9° |
| C09 | C10 | O01 | O11 | 179.8° | 180.0° |
| C09 | C10 | O11 | HO11 | 179.8° | 180.0° |
| C10 | C09 | C08 | H08 | 60.3° | 60.0° |
| C10 | C09 | C08 | H08A | 60.4° | 60.0° |
| O10 | C09 | C10 | O01 | 129.2° | 180.0° |
| O10 | C09 | C10 | O11 | 50.7° | 0.0° |
| O10 | C09 | C08 | H08 | 119.8° | 120.0° |
| O10 | C09 | C08 | H08A | 119.5° | 120.0° |
| O01 | C10 | O11 | HO11 | 0.0° | 0.0° |
| C18 | C13 | C11 | C14 | 179.9° | 179.7° |
| C18 | C13 | C11 | N01 | 88.7° | 90.3° |
| C18 | C13 | C14 | C15 | 0.1° | 0.0° |
| C18 | C13 | C14 | H14 | 179.9° | 179.9° |
| C13 | C18 | C17 | C16 | 0.0° | 0.0° |
| C13 | C18 | C17 | H18 | 180.0° | 180.0° |
| C13 | C18 | C17 | H17 | 180.0° | 180.0° |
| C18 | C13 | C11 | H11 | 151.3° | 29.8° |
| C18 | C13 | C11 | H11A | 29.0° | 149.7° |
| C13 | C11 | N01 | C12 | 111.3° | 90.0° |
| C13 | C11 | N01 | H11 | 120.0° | 120.1° |
| C13 | C11 | N01 | H11A | 117.7° | 120.0° |
| C13 | C11 | N01 | C04 | 71.2° | 90.0° |
| C11 | C13 | C14 | C15 | 180.0° | 179.8° |
| C11 | C13 | C14 | H14 | 0.0° | 0.3° |
| C11 | C13 | C18 | C17 | 180.0° | 179.7° |
| C11 | C13 | C18 | H18 | 0.0° | 0.2° |
| C13 | C11 | H11 | H11A | 117.9° | 119.9° |
| C14 | C13 | C11 | N01 | 91.4° | 90.0° |
| C13 | C14 | C15 | H14 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 0.1° | 0.1° |
| C13 | C14 | C15 | H15 | 179.9° | 180.0° |
| C14 | C13 | C18 | C17 | 0.1° | 0.0° |
| C14 | C13 | C18 | H18 | 179.9° | 180.0° |
| C14 | C13 | C11 | H11 | 28.6° | 150.0° |
| C14 | C13 | C11 | H11A | 150.9° | 30.0° |
| C20 | C19 | C12 | C24 | 179.7° | 179.6° |
| C20 | C19 | C12 | N01 | 141.5° | 89.7° |
| C19 | C20 | C21 | H20 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 0.0° | 0.1° |
| C19 | C20 | C21 | H21 | 180.0° | 180.0° |
| C20 | C19 | C24 | C23 | 0.1° | 0.6° |
| C20 | C19 | C24 | H24 | 179.9° | 179.7° |
| C20 | C19 | C12 | H12 | 21.6° | 30.3° |
| C20 | C19 | C12 | H12A | 102.9° | 150.3° |
| C19 | C12 | N01 | H12 | 120.0° | 120.0° |
| C19 | C12 | N01 | H12A | 115.5° | 120.0° |
| C19 | C12 | N01 | C11 | 76.9° | 90.0° |
| C19 | C12 | N01 | C04 | 105.6° | 90.0° |
| C12 | C19 | C20 | C21 | 179.8° | 180.0° |
| C12 | C19 | C20 | H20 | 0.2° | 0.0° |
| C12 | C19 | C24 | C23 | 179.8° | 179.8° |
| C12 | C19 | C24 | H24 | 0.2° | 0.1° |
| C19 | C12 | H12 | H12A | 116.1° | 120.0° |
| C24 | C19 | C12 | N01 | 38.8° | 89.9° |
| C24 | C19 | C20 | C21 | 0.1° | 0.4° |
| C24 | C19 | C20 | H20 | 179.9° | 179.7° |
| C19 | C24 | C23 | C22 | 0.1° | 0.5° |
| C19 | C24 | C23 | H24 | 180.0° | 179.7° |
| C19 | C24 | C23 | H23 | 179.9° | 179.7° |
| C24 | C19 | C12 | H12 | 158.7° | 150.0° |
| C24 | C19 | C12 | H12A | 76.8° | 30.1° |
| C12 | N01 | C11 | C04 | 177.5° | 180.0° |
| C12 | N01 | C04 | C03 | 87.8° | 180.0° |
| C12 | N01 | C04 | C05 | 92.1° | 0.0° |
| C12 | N01 | C11 | H11 | 128.7° | 149.9° |
| C12 | N01 | C11 | H11A | 6.4° | 30.0° |
| N01 | C12 | H12 | H12A | 116.2° | 120.0° |
| C11 | N01 | C04 | C03 | 94.7° | 0.1° |
| C11 | N01 | C04 | C05 | 85.5° | 180.0° |
| N01 | C11 | H11 | H11A | 117.9° | 120.0° |
| C11 | N01 | C12 | H12 | 43.1° | 150.0° |
| C11 | N01 | C12 | H12A | 167.6° | 30.0° |
| N01 | C04 | C03 | C02 | 179.9° | 180.0° |
| N01 | C04 | C03 | C05 | 179.9° | 179.9° |
| N01 | C04 | C03 | H03 | 0.1° | 0.0° |
| N01 | C04 | C05 | C06 | 179.9° | 179.8° |
| N01 | C04 | C05 | H05 | 0.1° | 0.1° |
| C04 | N01 | C11 | H11 | 48.8° | 30.1° |
| C04 | N01 | C11 | H11A | 171.1° | 150.0° |
| C04 | N01 | C12 | H12 | 134.5° | 30.0° |
| C04 | N01 | C12 | H12A | 10.0° | 150.0° |
| C02 | C03 | C04 | H03 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 0.2° | 0.1° |
| H02 | C02 | C03 | C04 | 179.9° | 180.0° |
| H02 | C02 | C03 | H03 | 0.1° | 0.0° |
| C14 | C15 | C16 | H15 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 0.0° | 0.1° |
| C14 | C15 | C16 | H16 | 180.0° | 180.0° |
| H14 | C14 | C15 | C16 | 179.9° | 180.0° |
| H14 | C14 | C15 | H15 | 0.1° | 0.1° |
| C20 | C21 | C22 | H21 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.0° | 0.0° |
| C20 | C21 | C22 | H22 | 180.0° | 180.0° |
| H20 | C20 | C21 | C22 | 180.0° | 180.0° |
| H20 | C20 | C21 | H21 | 0.0° | 0.0° |
| C03 | C04 | C05 | C06 | 0.1° | 0.3° |
| C03 | C04 | C05 | H05 | 179.9° | 180.0° |
| H03 | C03 | C04 | C05 | 179.8° | 179.9° |
| C15 | C16 | C17 | H16 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 0.1° | 0.0° |
| C15 | C16 | C17 | H17 | 180.0° | 179.9° |
| H15 | C15 | C16 | C17 | 180.0° | 180.0° |
| H15 | C15 | C16 | H16 | 0.0° | 0.1° |
| C21 | C22 | C23 | H22 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.1° | 0.2° |
| C21 | C22 | C23 | H23 | 179.9° | 180.0° |
| H21 | C21 | C22 | C23 | 180.0° | 180.0° |
| H21 | C21 | C22 | H22 | 0.0° | 0.1° |
| C04 | C05 | C06 | H05 | 180.0° | 179.7° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | H18 | 180.0° | 180.0° |
| H16 | C16 | C17 | C18 | 179.9° | 179.9° |
| H16 | C16 | C17 | H17 | 0.0° | 0.0° |
| C22 | C23 | C24 | H23 | 180.0° | 179.8° |
| C22 | C23 | C24 | H24 | 179.9° | 179.8° |
| H22 | C22 | C23 | C24 | 179.9° | 179.8° |
| H22 | C22 | C23 | H23 | 0.1° | 0.0° |
| H17 | C17 | C18 | H18 | 0.0° | 0.0° |
| H23 | C23 | C24 | H24 | 0.1° | 0.0° |
