LN9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| O10 | C3 | sing | 1.36Å | 1.36Å | |
| C1 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.51Å | 1.50Å | |
| C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| O9 | C11 | sing | 1.36Å | 1.34Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C12 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.38Å | Aromatic |
| O8 | C13 | sing | 1.36Å | 1.36Å | |
| C11 | C10 | sing | 1.41Å | 1.42Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 1.37Å | Aromatic |
| C8 | C9 | sing | 1.51Å | 1.49Å | |
| C10 | C15 | doub | 1.41Å | 1.42Å | Aromatic |
| C10 | C9 | sing | 1.46Å | 1.48Å | |
| C14 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | O2 | sing | 1.36Å | 1.37Å | |
| C9 | O1 | doub | 1.21Å | 1.22Å | |
| O2 | C16 | sing | 1.43Å | 1.41Å | |
| O7 | C17 | sing | 1.43Å | 1.42Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C16 | O3 | sing | 1.43Å | 1.42Å | |
| C17 | C18 | sing | 1.53Å | 1.51Å | |
| O3 | C20 | sing | 1.43Å | 1.44Å | |
| C18 | O6 | sing | 1.43Å | 1.42Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C20 | C19 | sing | 1.53Å | 1.51Å | |
| C20 | C21 | sing | 1.53Å | 1.48Å | |
| C19 | O5 | sing | 1.43Å | 1.41Å | |
| O4 | C21 | sing | 1.43Å | 1.42Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C14 | H10 | sing | 1.08Å | 1.08Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| O4 | H18 | sing | 0.97Å | 0.95Å | |
| O5 | H19 | sing | 0.97Å | 0.95Å | |
| O6 | H20 | sing | 0.97Å | 0.95Å | |
| O7 | H21 | sing | 0.97Å | 0.95Å | |
| O8 | H22 | sing | 0.97Å | 0.95Å | |
| O9 | H23 | sing | 0.97Å | 0.95Å | |
| O10 | H24 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 119.9° | 120.0° |
| C2 | C1 | C6 | 120.7° | 120.1° |
| C2 | C1 | H1 | 119.7° | 120.0° |
| C1 | C2 | H2 | 120.1° | 120.1° |
| C2 | C3 | O10 | 120.3° | 120.1° |
| C2 | C3 | C4 | 120.0° | 119.9° |
| C3 | C2 | H2 | 120.1° | 120.0° |
| O10 | C3 | C4 | 119.7° | 120.1° |
| C3 | O10 | H24 | 109.5° | 114.0° |
| C1 | C6 | C7 | 120.9° | 119.9° |
| C1 | C6 | C5 | 118.1° | 120.2° |
| C6 | C1 | H1 | 119.7° | 120.0° |
| C3 | C4 | C5 | 118.8° | 120.0° |
| C3 | C4 | H3 | 120.6° | 120.0° |
| C7 | C6 | C5 | 121.0° | 119.9° |
| C6 | C7 | C8 | 111.1° | 109.4° |
| C6 | C7 | H5 | 109.1° | 109.4° |
| C6 | C7 | H6 | 109.0° | 109.5° |
| C6 | C5 | C4 | 122.5° | 120.0° |
| C6 | C5 | H4 | 118.7° | 120.0° |
| C5 | C4 | H3 | 120.6° | 120.0° |
| C4 | C5 | H4 | 118.8° | 120.0° |
| O9 | C11 | C12 | 112.4° | 120.1° |
| O9 | C11 | C10 | 124.8° | 120.1° |
| C11 | O9 | H23 | 109.5° | 114.0° |
| C7 | C8 | C9 | 118.8° | 109.4° |
| C8 | C7 | H5 | 109.0° | 109.5° |
| C8 | C7 | H6 | 109.1° | 109.5° |
| C7 | C8 | H7 | 107.1° | 109.5° |
| C7 | C8 | H8 | 107.1° | 109.5° |
| C11 | C12 | C13 | 119.4° | 120.2° |
| C12 | C11 | C10 | 122.8° | 119.8° |
| C11 | C12 | H9 | 120.3° | 119.9° |
| C12 | C13 | O8 | 120.4° | 119.7° |
| C12 | C13 | C14 | 120.9° | 120.5° |
| C13 | C12 | H9 | 120.3° | 120.0° |
| O8 | C13 | C14 | 118.6° | 119.8° |
| C13 | O8 | H22 | 109.5° | 114.0° |
| C11 | C10 | C15 | 114.7° | 119.6° |
| C11 | C10 | C9 | 123.5° | 120.2° |
| C13 | C14 | C15 | 119.9° | 120.2° |
| C13 | C14 | H10 | 120.0° | 119.9° |
| C8 | C9 | C10 | 122.2° | 120.0° |
| C8 | C9 | O1 | 116.7° | 120.0° |
| C9 | C8 | H7 | 107.1° | 109.5° |
| C9 | C8 | H8 | 107.1° | 109.5° |
| C15 | C10 | C9 | 121.8° | 120.2° |
| C10 | C15 | C14 | 122.2° | 119.8° |
| C10 | C15 | O2 | 124.2° | 120.1° |
| C10 | C9 | O1 | 121.0° | 120.0° |
| C14 | C15 | O2 | 113.5° | 120.1° |
| C15 | C14 | H10 | 120.1° | 119.9° |
| C15 | O2 | C16 | 125.1° | 116.9° |
| O2 | C16 | C17 | 112.8° | 109.4° |
| O2 | C16 | O3 | 113.6° | 109.5° |
| O2 | C16 | H11 | 107.7° | 109.5° |
| O7 | C17 | C16 | 110.7° | 109.5° |
| O7 | C17 | C18 | 111.2° | 109.5° |
| O7 | C17 | H12 | 110.2° | 109.6° |
| C17 | O7 | H21 | 109.5° | 114.0° |
| C17 | C16 | O3 | 108.3° | 109.4° |
| C16 | C17 | C18 | 106.9° | 109.1° |
| C17 | C16 | H11 | 106.4° | 109.5° |
| C16 | C17 | H12 | 108.7° | 109.6° |
| C16 | O3 | C20 | 107.8° | 114.1° |
| O3 | C16 | H11 | 107.6° | 109.5° |
| C17 | C18 | O6 | 112.3° | 109.5° |
| C17 | C18 | C19 | 108.9° | 109.1° |
| C18 | C17 | H12 | 109.0° | 109.5° |
| C17 | C18 | H13 | 107.5° | 109.6° |
| O3 | C20 | C19 | 106.2° | 109.4° |
| O3 | C20 | C21 | 107.3° | 109.5° |
| O3 | C20 | H15 | 109.6° | 109.5° |
| O6 | C18 | C19 | 111.8° | 109.5° |
| O6 | C18 | H13 | 108.7° | 109.5° |
| C18 | O6 | H20 | 109.5° | 114.0° |
| C18 | C19 | C20 | 105.2° | 109.1° |
| C18 | C19 | O5 | 112.1° | 109.5° |
| C19 | C18 | H13 | 107.4° | 109.6° |
| C18 | C19 | H14 | 109.2° | 109.5° |
| C19 | C20 | C21 | 115.9° | 109.4° |
| C20 | C19 | O5 | 110.0° | 109.5° |
| C20 | C19 | H14 | 109.4° | 109.5° |
| C19 | C20 | H15 | 108.7° | 109.5° |
| C20 | C21 | O4 | 107.2° | 109.4° |
| C21 | C20 | H15 | 109.0° | 109.5° |
| C20 | C21 | H16 | 110.0° | 109.5° |
| C20 | C21 | H17 | 110.0° | 109.4° |
| O5 | C19 | H14 | 110.8° | 109.6° |
| C19 | O5 | H19 | 109.5° | 114.0° |
| O4 | C21 | H16 | 110.1° | 109.5° |
| O4 | C21 | H17 | 110.0° | 109.5° |
| C21 | O4 | H18 | 109.5° | 114.0° |
| H5 | C7 | H6 | 109.5° | 109.5° |
| H7 | C8 | H8 | 109.5° | 109.5° |
| H16 | C21 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | O10 | 180.0° | 180.0° |
| C2 | C1 | C6 | H1 | 180.0° | 179.8° |
| C1 | C2 | C3 | C4 | 0.1° | 0.1° |
| C2 | C1 | C6 | C7 | 180.0° | 179.7° |
| C2 | C1 | C6 | C5 | 0.1° | 0.1° |
| C2 | C3 | O10 | C4 | 179.9° | 180.0° |
| C3 | C2 | C1 | C6 | 0.5° | 0.0° |
| C2 | C3 | C4 | C5 | 0.6° | 0.0° |
| C3 | C2 | C1 | H1 | 179.5° | 179.8° |
| C2 | C3 | C4 | H3 | 179.5° | 180.0° |
| C2 | C3 | O10 | H24 | 180.0° | 89.9° |
| O10 | C3 | C4 | C5 | 179.3° | 180.0° |
| O10 | C3 | C2 | H2 | 0.0° | 0.1° |
| O10 | C3 | C4 | H3 | 0.6° | 0.0° |
| C1 | C6 | C7 | C5 | 179.9° | 179.7° |
| C1 | C6 | C5 | C4 | 0.6° | 0.1° |
| C1 | C6 | C7 | C8 | 141.9° | 90.0° |
| C6 | C1 | C2 | H2 | 179.5° | 179.9° |
| C1 | C6 | C5 | H4 | 179.4° | 180.0° |
| C1 | C6 | C7 | H5 | 97.9° | 150.0° |
| C1 | C6 | C7 | H6 | 21.6° | 30.0° |
| C3 | C4 | C5 | C6 | 1.0° | 0.0° |
| C3 | C4 | C5 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | H2 | 179.9° | 180.0° |
| C3 | C4 | C5 | H4 | 179.1° | 179.9° |
| C4 | C3 | O10 | H24 | 0.1° | 90.0° |
| C7 | C6 | C5 | C4 | 179.3° | 179.7° |
| C6 | C7 | C8 | H5 | 120.2° | 119.9° |
| C6 | C7 | C8 | H6 | 120.3° | 120.0° |
| C6 | C7 | C8 | C9 | 167.0° | 180.0° |
| C7 | C6 | C1 | H1 | 0.0° | 0.0° |
| C7 | C6 | C5 | H4 | 0.7° | 0.4° |
| C6 | C7 | H5 | H6 | 119.2° | 120.0° |
| C6 | C7 | C8 | H7 | 45.7° | 60.0° |
| C6 | C7 | C8 | H8 | 71.7° | 60.0° |
| C6 | C5 | C4 | H4 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 38.0° | 90.3° |
| C5 | C6 | C1 | H1 | 179.9° | 179.7° |
| C6 | C5 | C4 | H3 | 179.1° | 180.0° |
| C5 | C6 | C7 | H5 | 82.2° | 29.7° |
| C5 | C6 | C7 | H6 | 158.3° | 149.7° |
| O9 | C11 | C12 | C10 | 179.6° | 180.0° |
| O9 | C11 | C12 | C13 | 178.6° | 180.0° |
| O9 | C11 | C10 | C15 | 178.9° | 180.0° |
| O9 | C11 | C10 | C9 | 0.2° | 0.2° |
| O9 | C11 | C12 | H9 | 1.4° | 0.0° |
| C7 | C8 | C9 | H7 | 121.3° | 120.0° |
| C7 | C8 | C9 | H8 | 121.3° | 120.0° |
| C7 | C8 | C9 | C10 | 61.1° | 180.0° |
| C7 | C8 | C9 | O1 | 120.9° | 0.0° |
| C8 | C7 | H5 | H6 | 119.3° | 120.0° |
| C7 | C8 | H7 | H8 | 115.8° | 120.0° |
| C11 | C12 | C13 | H9 | 180.0° | 180.0° |
| C11 | C12 | C13 | O8 | 179.5° | 180.0° |
| C11 | C12 | C13 | C14 | 2.1° | 0.0° |
| C12 | C11 | C10 | C15 | 1.5° | 0.0° |
| C12 | C11 | C10 | C9 | 179.8° | 179.7° |
| C12 | C11 | O9 | H23 | 180.0° | 90.0° |
| C12 | C13 | O8 | C14 | 178.4° | 180.0° |
| C13 | C12 | C11 | C10 | 1.8° | 0.0° |
| C12 | C13 | C14 | C15 | 2.3° | 0.0° |
| C12 | C13 | C14 | H10 | 177.7° | 180.0° |
| C12 | C13 | O8 | H22 | 180.0° | 90.0° |
| O8 | C13 | C14 | C15 | 179.3° | 179.9° |
| O8 | C13 | C12 | H9 | 0.5° | 0.0° |
| O8 | C13 | C14 | H10 | 0.7° | 0.1° |
| C11 | C10 | C9 | C8 | 14.4° | 0.2° |
| C11 | C10 | C15 | C9 | 178.7° | 179.8° |
| C11 | C10 | C15 | C14 | 1.7° | 0.0° |
| C11 | C10 | C15 | O2 | 178.2° | 179.7° |
| C11 | C10 | C9 | O1 | 163.4° | 179.7° |
| C10 | C11 | C12 | H9 | 178.2° | 180.0° |
| C10 | C11 | O9 | H23 | 0.4° | 90.0° |
| C13 | C14 | C15 | C10 | 2.2° | 0.0° |
| C13 | C14 | C15 | H10 | 180.0° | 180.0° |
| C13 | C14 | C15 | O2 | 179.0° | 179.7° |
| C14 | C13 | C12 | H9 | 177.9° | 180.0° |
| C14 | C13 | O8 | H22 | 1.6° | 89.9° |
| C8 | C9 | C10 | C15 | 167.0° | 180.0° |
| C8 | C9 | C10 | O1 | 177.8° | 180.0° |
| C9 | C8 | C7 | H5 | 72.8° | 60.1° |
| C9 | C8 | C7 | H6 | 46.7° | 60.0° |
| C9 | C8 | H7 | H8 | 115.8° | 120.0° |
| C10 | C15 | C14 | O2 | 176.8° | 179.8° |
| C15 | C10 | C9 | O1 | 15.1° | 0.0° |
| C10 | C15 | O2 | C16 | 110.6° | 180.0° |
| C10 | C15 | C14 | H10 | 177.8° | 180.0° |
| C9 | C10 | C15 | C14 | 179.6° | 179.8° |
| C9 | C10 | C15 | O2 | 3.2° | 0.0° |
| C10 | C9 | C8 | H7 | 60.2° | 60.0° |
| C10 | C9 | C8 | H8 | 177.5° | 60.0° |
| C14 | C15 | O2 | C16 | 72.7° | 0.2° |
| C15 | O2 | C16 | C17 | 80.3° | 175.0° |
| C15 | O2 | C16 | O3 | 43.4° | 65.1° |
| O2 | C15 | C14 | H10 | 1.0° | 0.3° |
| C15 | O2 | C16 | H11 | 162.6° | 54.9° |
| O1 | C9 | C8 | H7 | 117.7° | 120.0° |
| O1 | C9 | C8 | H8 | 0.4° | 120.0° |
| O2 | C16 | C17 | O7 | 51.3° | 62.5° |
| O2 | C16 | C17 | O3 | 126.6° | 119.9° |
| O2 | C16 | C17 | H11 | 117.9° | 120.1° |
| O2 | C16 | O3 | H11 | 119.2° | 120.1° |
| O2 | C16 | C17 | C18 | 172.6° | 177.6° |
| O2 | C16 | O3 | C20 | 165.4° | 178.9° |
| O2 | C16 | C17 | H12 | 69.9° | 57.7° |
| O7 | C17 | C16 | C18 | 121.3° | 119.9° |
| O7 | C17 | C16 | H12 | 121.2° | 120.2° |
| O7 | C17 | C16 | O3 | 178.0° | 177.5° |
| O7 | C17 | C18 | H12 | 121.7° | 120.2° |
| O7 | C17 | C18 | O6 | 56.3° | 63.2° |
| O7 | C17 | C18 | C19 | 179.3° | 176.9° |
| O7 | C17 | C16 | H11 | 66.6° | 57.5° |
| O7 | C17 | C18 | H13 | 63.2° | 56.9° |
| C17 | C16 | O3 | H11 | 114.6° | 120.0° |
| C16 | C17 | C18 | H12 | 117.3° | 119.9° |
| C17 | C16 | O3 | C20 | 68.5° | 61.2° |
| C16 | C17 | C18 | O6 | 177.2° | 176.9° |
| C16 | C17 | C18 | C19 | 58.3° | 57.0° |
| C16 | C17 | C18 | H13 | 57.7° | 63.0° |
| C16 | C17 | O7 | H21 | 180.0° | 60.0° |
| O3 | C16 | C17 | C18 | 60.8° | 57.7° |
| C16 | O3 | C20 | C19 | 72.3° | 61.2° |
| C16 | O3 | C20 | C21 | 163.1° | 178.8° |
| O3 | C16 | C17 | H12 | 56.8° | 62.3° |
| C16 | O3 | C20 | H15 | 44.9° | 58.8° |
| C17 | C18 | O6 | C19 | 122.8° | 119.6° |
| C17 | C18 | O6 | H13 | 118.8° | 120.2° |
| C17 | C18 | C19 | H13 | 116.1° | 120.0° |
| C17 | C18 | C19 | C20 | 62.1° | 57.0° |
| C17 | C18 | C19 | O5 | 178.4° | 176.9° |
| C18 | C17 | C16 | H11 | 54.7° | 62.4° |
| C17 | C18 | C19 | H14 | 55.3° | 62.9° |
| C17 | C18 | O6 | H20 | 180.0° | 60.0° |
| C18 | C17 | O7 | H21 | 61.3° | 179.7° |
| O3 | C20 | C19 | C18 | 67.5° | 57.6° |
| O3 | C20 | C19 | C21 | 119.1° | 120.0° |
| O3 | C20 | C19 | H15 | 117.8° | 120.0° |
| O3 | C20 | C21 | H15 | 118.6° | 120.1° |
| O3 | C20 | C19 | O5 | 171.6° | 177.5° |
| O3 | C20 | C21 | O4 | 60.2° | 65.1° |
| C20 | O3 | C16 | H11 | 46.2° | 58.8° |
| O3 | C20 | C19 | H14 | 49.8° | 62.3° |
| O3 | C20 | C21 | H16 | 179.9° | 174.9° |
| O3 | C20 | C21 | H17 | 59.4° | 54.9° |
| O6 | C18 | C19 | H13 | 119.2° | 120.2° |
| O6 | C18 | C19 | C20 | 173.2° | 176.9° |
| O6 | C18 | C19 | O5 | 53.7° | 63.3° |
| O6 | C18 | C17 | H12 | 65.4° | 57.0° |
| O6 | C18 | C19 | H14 | 69.4° | 56.9° |
| C18 | C19 | C20 | O5 | 120.9° | 119.9° |
| C18 | C19 | C20 | H14 | 117.2° | 119.9° |
| C18 | C19 | C20 | C21 | 173.5° | 177.6° |
| C18 | C19 | O5 | H14 | 122.3° | 120.2° |
| C19 | C18 | C17 | H12 | 59.0° | 62.9° |
| C18 | C19 | C20 | H15 | 50.4° | 62.4° |
| C18 | C19 | O5 | H19 | 180.0° | 60.0° |
| C19 | C18 | O6 | H20 | 57.2° | 179.6° |
| C19 | C20 | C21 | H15 | 122.9° | 120.0° |
| C20 | C19 | O5 | H14 | 121.1° | 120.2° |
| C19 | C20 | C21 | O4 | 178.7° | 175.0° |
| C20 | C19 | C18 | H13 | 54.1° | 62.9° |
| C19 | C20 | C21 | H16 | 61.6° | 55.0° |
| C19 | C20 | C21 | H17 | 59.1° | 65.0° |
| C20 | C19 | O5 | H19 | 63.4° | 179.6° |
| C21 | C20 | C19 | O5 | 52.6° | 62.5° |
| C20 | C21 | O4 | H16 | 119.6° | 120.0° |
| C20 | C21 | O4 | H17 | 119.6° | 119.9° |
| C21 | C20 | C19 | H14 | 69.3° | 57.7° |
| C20 | C21 | H16 | H17 | 121.0° | 120.0° |
| C20 | C21 | O4 | H18 | 180.0° | 179.9° |
| O5 | C19 | C18 | H13 | 65.4° | 56.9° |
| O5 | C19 | C20 | H15 | 70.5° | 57.5° |
| O4 | C21 | C20 | H15 | 58.4° | 55.0° |
| O4 | C21 | H16 | H17 | 121.1° | 120.1° |
| H1 | C1 | C2 | H2 | 0.5° | 0.3° |
| H3 | C4 | C5 | H4 | 0.9° | 0.1° |
| H5 | C7 | C8 | H7 | 165.9° | 180.0° |
| H5 | C7 | C8 | H8 | 48.5° | 59.9° |
| H6 | C7 | C8 | H7 | 74.6° | 60.0° |
| H6 | C7 | C8 | H8 | 168.0° | 180.0° |
| H11 | C16 | C17 | H12 | 172.2° | 177.7° |
| H12 | C17 | C18 | H13 | 175.1° | 177.1° |
| H12 | C17 | O7 | H21 | 59.7° | 60.2° |
| H13 | C18 | C19 | H14 | 171.4° | 177.2° |
| H13 | C18 | O6 | H20 | 61.2° | 60.1° |
| H14 | C19 | C20 | H15 | 167.6° | 177.7° |
| H14 | C19 | O5 | H19 | 57.7° | 60.2° |
| H15 | C20 | C21 | H16 | 61.3° | 65.0° |
| H15 | C20 | C21 | H17 | 178.0° | 175.0° |
| H16 | C21 | O4 | H18 | 60.4° | 60.1° |
| H17 | C21 | O4 | H18 | 60.4° | 60.0° |
