LL6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.51Å | 1.51Å | |
| C5 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.53Å | 1.54Å | |
| O | C2 | doub | 1.21Å | 1.22Å | |
| C13 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.51Å | 1.50Å | |
| C11 | N1 | sing | 1.47Å | 1.47Å | |
| C14 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C17 | doub | 1.40Å | 1.38Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | N1 | sing | 1.46Å | 1.45Å | |
| C3 | C2 | sing | 1.51Å | 1.53Å | |
| N1 | C18 | sing | 1.34Å | 1.36Å | |
| C2 | N | sing | 1.35Å | 1.34Å | |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.48Å | 1.48Å | |
| C17 | C16 | sing | 1.40Å | 1.39Å | Aromatic |
| C18 | O1 | doub | 1.22Å | 1.22Å | |
| O2 | C19 | doub | 1.21Å | 1.23Å | |
| O3 | C19 | sing | 1.34Å | 1.33Å | |
| C19 | C1 | sing | 1.51Å | 1.52Å | |
| N | C1 | sing | 1.47Å | 1.45Å | |
| C1 | C | sing | 1.53Å | 1.51Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| O3 | H9 | sing | 0.97Å | 0.95Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| C | H12 | sing | 1.09Å | 1.10Å | |
| N | H13 | sing | 0.97Å | 1.00Å | |
| C16 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C14 | H16 | sing | 1.08Å | 1.08Å | |
| C13 | H17 | sing | 1.08Å | 1.08Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C9 | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C7 | C8 | 120.1° | 120.0° |
| C7 | C6 | C5 | 120.8° | 120.0° |
| C7 | C6 | H5 | 119.7° | 120.0° |
| C6 | C7 | H6 | 119.9° | 120.0° |
| C7 | C8 | C9 | 119.7° | 120.0° |
| C8 | C7 | H6 | 119.9° | 120.0° |
| C7 | C8 | H7 | 120.1° | 119.9° |
| C6 | C5 | C4 | 120.7° | 120.0° |
| C6 | C5 | C10 | 118.5° | 120.0° |
| C5 | C6 | H5 | 119.6° | 120.0° |
| C8 | C9 | C10 | 120.2° | 120.0° |
| C9 | C8 | H7 | 120.2° | 120.1° |
| C8 | C9 | H20 | 119.9° | 120.0° |
| C4 | C5 | C10 | 120.8° | 120.0° |
| C5 | C4 | C3 | 114.2° | 109.5° |
| C5 | C4 | H3 | 108.3° | 109.5° |
| C5 | C4 | H4 | 108.3° | 109.5° |
| C5 | C10 | C9 | 120.6° | 120.0° |
| C5 | C10 | H8 | 119.7° | 120.0° |
| C4 | C3 | N1 | 112.2° | 109.5° |
| C4 | C3 | C2 | 113.8° | 109.5° |
| C4 | C3 | H2 | 106.2° | 109.5° |
| C3 | C4 | H3 | 108.3° | 109.5° |
| C3 | C4 | H4 | 108.3° | 109.5° |
| O | C2 | C3 | 121.3° | 120.0° |
| O | C2 | N | 122.9° | 120.0° |
| C14 | C13 | C12 | 119.8° | 119.9° |
| C13 | C14 | C15 | 120.3° | 120.2° |
| C13 | C14 | H16 | 119.9° | 119.9° |
| C14 | C13 | H17 | 120.1° | 120.0° |
| C13 | C12 | C11 | 130.9° | 133.2° |
| C13 | C12 | C17 | 119.7° | 120.3° |
| C12 | C13 | H17 | 120.1° | 120.1° |
| C12 | C11 | N1 | 102.0° | 106.2° |
| C11 | C12 | C17 | 109.5° | 106.5° |
| C12 | C11 | H18 | 111.3° | 110.1° |
| C12 | C11 | H19 | 111.3° | 110.1° |
| C11 | N1 | C3 | 124.6° | 125.6° |
| C11 | N1 | C18 | 113.2° | 108.7° |
| N1 | C11 | H18 | 111.3° | 110.2° |
| N1 | C11 | H19 | 111.3° | 109.9° |
| C14 | C15 | C16 | 120.4° | 120.3° |
| C14 | C15 | H15 | 119.8° | 119.8° |
| C15 | C14 | H16 | 119.9° | 119.9° |
| C12 | C17 | C18 | 108.7° | 108.2° |
| C12 | C17 | C16 | 120.8° | 119.4° |
| C9 | C10 | H8 | 119.7° | 120.0° |
| C10 | C9 | H20 | 119.9° | 120.0° |
| N1 | C3 | C2 | 110.8° | 109.5° |
| C3 | N1 | C18 | 122.2° | 125.6° |
| N1 | C3 | H2 | 107.2° | 109.5° |
| C3 | C2 | N | 115.7° | 120.0° |
| C2 | C3 | H2 | 106.3° | 109.5° |
| N1 | C18 | C17 | 106.3° | 110.3° |
| N1 | C18 | O1 | 125.2° | 124.8° |
| C2 | N | C1 | 121.8° | 120.0° |
| C2 | N | H13 | 119.1° | 120.0° |
| C15 | C16 | C17 | 119.0° | 119.8° |
| C15 | C16 | H14 | 120.5° | 120.1° |
| C16 | C15 | H15 | 119.8° | 119.8° |
| C18 | C17 | C16 | 130.4° | 132.3° |
| C17 | C18 | O1 | 128.6° | 124.9° |
| C17 | C16 | H14 | 120.5° | 120.1° |
| O2 | C19 | O3 | 123.7° | 120.0° |
| O2 | C19 | C1 | 120.3° | 120.0° |
| O3 | C19 | C1 | 115.9° | 120.0° |
| C19 | O3 | H9 | 109.5° | 117.0° |
| C19 | C1 | N | 114.5° | 109.5° |
| C19 | C1 | C | 109.1° | 109.5° |
| C19 | C1 | H1 | 107.2° | 109.6° |
| N | C1 | C | 110.3° | 109.5° |
| N | C1 | H1 | 108.1° | 109.4° |
| C1 | N | H13 | 119.1° | 120.0° |
| C | C1 | H1 | 107.3° | 109.4° |
| C1 | C | H10 | 109.5° | 109.4° |
| C1 | C | H11 | 109.5° | 109.4° |
| C1 | C | H12 | 109.4° | 109.4° |
| H3 | C4 | H4 | 109.5° | 109.4° |
| H10 | C | H11 | 109.4° | 109.5° |
| H10 | C | H12 | 109.5° | 109.5° |
| H11 | C | H12 | 109.5° | 109.5° |
| H18 | C11 | H19 | 109.5° | 110.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C7 | C8 | H6 | 180.0° | 179.9° |
| C7 | C6 | C5 | H5 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 0.3° | 0.0° |
| C7 | C6 | C5 | C4 | 179.6° | 179.9° |
| C7 | C6 | C5 | C10 | 0.4° | 0.3° |
| C6 | C7 | C8 | H7 | 179.7° | 180.0° |
| C8 | C7 | C6 | C5 | 0.1° | 0.1° |
| C7 | C8 | C9 | H7 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 0.0° | 0.2° |
| C8 | C7 | C6 | H5 | 179.9° | 180.0° |
| C7 | C8 | C9 | H20 | 180.0° | 179.9° |
| C6 | C5 | C4 | C10 | 179.1° | 179.7° |
| C6 | C5 | C4 | C3 | 125.7° | 89.7° |
| C6 | C5 | C10 | C9 | 0.8° | 0.5° |
| C6 | C5 | C4 | H3 | 5.0° | 150.2° |
| C6 | C5 | C4 | H4 | 113.6° | 30.3° |
| C5 | C6 | C7 | H6 | 179.9° | 180.0° |
| C6 | C5 | C10 | H8 | 179.2° | 179.7° |
| C8 | C9 | C10 | C5 | 0.5° | 0.4° |
| C8 | C9 | C10 | H20 | 180.0° | 179.9° |
| C9 | C8 | C7 | H6 | 179.7° | 179.9° |
| C8 | C9 | C10 | H8 | 179.4° | 179.8° |
| C5 | C4 | C3 | H3 | 120.7° | 120.0° |
| C5 | C4 | C3 | H4 | 120.7° | 120.0° |
| C4 | C5 | C10 | C9 | 179.9° | 179.8° |
| C5 | C4 | C3 | N1 | 175.4° | 65.0° |
| C5 | C4 | C3 | C2 | 48.7° | 175.0° |
| C5 | C4 | C3 | H2 | 67.9° | 55.0° |
| C5 | C4 | H3 | H4 | 117.9° | 120.0° |
| C4 | C5 | C6 | H5 | 0.5° | 0.0° |
| C4 | C5 | C10 | H8 | 0.1° | 0.1° |
| C10 | C5 | C4 | C3 | 55.2° | 90.0° |
| C5 | C10 | C9 | H8 | 180.0° | 179.9° |
| C10 | C5 | C4 | H3 | 175.9° | 30.0° |
| C10 | C5 | C4 | H4 | 65.5° | 149.9° |
| C10 | C5 | C6 | H5 | 179.6° | 179.8° |
| C5 | C10 | C9 | H20 | 179.4° | 179.7° |
| C4 | C3 | C2 | O | 57.6° | 120.0° |
| C4 | C3 | N1 | C11 | 98.7° | 119.7° |
| C4 | C3 | N1 | C2 | 128.3° | 120.0° |
| C4 | C3 | N1 | H2 | 116.1° | 120.0° |
| C4 | C3 | C2 | H2 | 116.5° | 120.0° |
| C4 | C3 | N1 | C18 | 82.7° | 60.0° |
| C4 | C3 | C2 | N | 122.8° | 60.0° |
| C3 | C4 | H3 | H4 | 117.8° | 120.0° |
| O | C2 | C3 | N1 | 69.9° | 0.0° |
| O | C2 | C3 | N | 179.6° | 180.0° |
| O | C2 | N | C1 | 2.0° | 0.0° |
| O | C2 | C3 | H2 | 174.1° | 120.0° |
| O | C2 | N | H13 | 178.0° | 180.0° |
| C14 | C13 | C12 | H17 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 179.3° | 179.7° |
| C13 | C14 | C15 | H16 | 180.0° | 180.0° |
| C14 | C13 | C12 | C17 | 0.7° | 0.1° |
| C13 | C14 | C15 | C16 | 0.9° | 0.1° |
| C13 | C14 | C15 | H15 | 179.1° | 180.0° |
| C13 | C12 | C11 | C17 | 180.0° | 179.8° |
| C13 | C12 | C11 | N1 | 174.3° | 179.8° |
| C12 | C13 | C14 | C15 | 0.5° | 0.0° |
| C13 | C12 | C17 | C18 | 176.2° | 180.0° |
| C13 | C12 | C17 | C16 | 1.5° | 0.1° |
| C12 | C13 | C14 | H16 | 179.5° | 179.9° |
| C13 | C12 | C11 | H18 | 55.5° | 60.9° |
| C13 | C12 | C11 | H19 | 66.9° | 60.8° |
| C12 | C11 | N1 | H18 | 118.8° | 119.2° |
| C12 | C11 | N1 | H19 | 118.8° | 119.1° |
| C12 | C11 | N1 | C3 | 175.5° | 179.9° |
| C12 | C11 | N1 | C18 | 5.9° | 0.4° |
| C11 | C12 | C17 | C18 | 3.7° | 0.2° |
| C11 | C12 | C17 | C16 | 178.5° | 179.7° |
| C11 | C12 | C13 | H17 | 0.7° | 0.3° |
| C12 | C11 | H18 | H19 | 123.4° | 121.7° |
| N1 | C11 | C12 | C17 | 5.7° | 0.4° |
| C11 | N1 | C3 | C18 | 178.5° | 179.7° |
| C11 | N1 | C3 | C2 | 29.6° | 120.3° |
| C11 | N1 | C18 | C17 | 3.9° | 0.3° |
| C11 | N1 | C18 | O1 | 174.3° | 179.7° |
| C11 | N1 | C3 | H2 | 145.1° | 0.3° |
| N1 | C11 | H18 | H19 | 123.5° | 121.5° |
| C14 | C15 | C16 | H15 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 0.1° | 0.1° |
| C14 | C15 | C16 | H14 | 179.8° | 180.0° |
| C15 | C14 | C13 | H17 | 179.5° | 180.0° |
| C12 | C17 | C18 | N1 | 0.0° | 0.0° |
| C12 | C17 | C16 | C15 | 1.1° | 0.0° |
| C12 | C17 | C18 | C16 | 177.4° | 179.9° |
| C12 | C17 | C18 | O1 | 178.1° | 179.9° |
| C12 | C17 | C16 | H14 | 178.9° | 180.0° |
| C17 | C12 | C13 | H17 | 179.3° | 179.9° |
| C17 | C12 | C11 | H18 | 124.5° | 118.9° |
| C17 | C12 | C11 | H19 | 113.1° | 119.4° |
| C10 | C9 | C8 | H7 | 180.0° | 179.9° |
| N1 | C3 | C2 | H2 | 116.1° | 120.0° |
| N1 | C3 | C2 | N | 109.7° | 180.0° |
| C3 | N1 | C18 | C17 | 177.5° | 180.0° |
| C3 | N1 | C18 | O1 | 4.4° | 0.0° |
| N1 | C3 | C4 | H3 | 54.7° | 55.0° |
| N1 | C3 | C4 | H4 | 63.9° | 175.0° |
| C3 | N1 | C11 | H18 | 56.7° | 60.9° |
| C3 | N1 | C11 | H19 | 65.7° | 60.8° |
| C2 | C3 | N1 | C18 | 148.9° | 60.0° |
| C3 | C2 | N | C1 | 177.6° | 180.0° |
| C2 | C3 | C4 | H3 | 72.0° | 65.0° |
| C2 | C3 | C4 | H4 | 169.4° | 55.0° |
| C3 | C2 | N | H13 | 2.5° | 0.0° |
| N1 | C18 | C17 | O1 | 178.1° | 180.0° |
| N1 | C18 | C17 | C16 | 177.5° | 180.0° |
| C18 | N1 | C3 | H2 | 33.4° | 180.0° |
| C18 | N1 | C11 | H18 | 124.6° | 118.8° |
| C18 | N1 | C11 | H19 | 112.9° | 119.5° |
| C2 | N | C1 | C19 | 85.8° | 155.0° |
| C2 | N | C1 | H13 | 180.0° | 180.0° |
| C2 | N | C1 | C | 150.6° | 85.0° |
| C2 | N | C1 | H1 | 33.6° | 34.9° |
| N | C2 | C3 | H2 | 6.4° | 60.0° |
| C15 | C16 | C17 | C18 | 176.1° | 179.9° |
| C15 | C16 | C17 | H14 | 180.0° | 179.9° |
| C16 | C15 | C14 | H16 | 179.1° | 180.0° |
| C18 | C17 | C16 | H14 | 3.9° | 0.0° |
| C16 | C17 | C18 | O1 | 4.5° | 0.0° |
| C17 | C16 | C15 | H15 | 179.9° | 180.0° |
| O2 | C19 | O3 | C1 | 176.9° | 180.0° |
| O2 | C19 | C1 | N | 155.9° | 0.0° |
| O2 | C19 | C1 | C | 79.9° | 120.0° |
| O2 | C19 | C1 | H1 | 36.0° | 120.0° |
| O2 | C19 | O3 | H9 | 0.0° | 0.0° |
| O3 | C19 | C1 | N | 27.2° | 180.0° |
| O3 | C19 | C1 | C | 97.0° | 60.0° |
| O3 | C19 | C1 | H1 | 147.1° | 60.0° |
| C19 | C1 | N | C | 123.5° | 120.0° |
| C19 | C1 | N | H1 | 119.4° | 120.1° |
| C19 | C1 | C | H1 | 115.9° | 120.1° |
| C1 | C19 | O3 | H9 | 176.9° | 180.0° |
| C19 | C1 | C | H10 | 180.0° | 60.0° |
| C19 | C1 | C | H11 | 60.0° | 60.0° |
| C19 | C1 | C | H12 | 60.0° | 180.0° |
| C19 | C1 | N | H13 | 94.1° | 25.0° |
| N | C1 | C | H1 | 117.5° | 119.9° |
| N | C1 | C | H10 | 53.4° | 60.0° |
| N | C1 | C | H11 | 66.6° | 180.0° |
| N | C1 | C | H12 | 173.4° | 60.0° |
| C1 | C | H10 | H11 | 120.0° | 120.0° |
| C1 | C | H10 | H12 | 120.0° | 120.0° |
| C1 | C | H11 | H12 | 120.0° | 120.0° |
| C | C1 | N | H13 | 29.4° | 95.0° |
| H1 | C1 | C | H10 | 64.2° | 179.9° |
| H1 | C1 | C | H11 | 175.9° | 60.1° |
| H1 | C1 | C | H12 | 55.9° | 59.9° |
| H1 | C1 | N | H13 | 146.4° | 145.1° |
| H2 | C3 | C4 | H3 | 171.4° | 175.0° |
| H2 | C3 | C4 | H4 | 52.8° | 65.0° |
| H5 | C6 | C7 | H6 | 0.1° | 0.1° |
| H6 | C7 | C8 | H7 | 0.3° | 0.1° |
| H7 | C8 | C9 | H20 | 0.0° | 0.0° |
| H8 | C10 | C9 | H20 | 0.6° | 0.2° |
| H10 | C | H11 | H12 | 120.0° | 120.1° |
| H14 | C16 | C15 | H15 | 0.2° | 0.1° |
| H15 | C15 | C14 | H16 | 0.9° | 0.1° |
| H16 | C14 | C13 | H17 | 0.4° | 0.1° |
