L9L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.43Å | Aromatic |
| C1 | C6 | sing | 1.40Å | 1.46Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C19 | F1 | sing | 1.40Å | 1.36Å | |
| N1 | C11 | sing | 1.38Å | 1.45Å | |
| N1 | C12 | sing | 1.47Å | 1.46Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C8 | O1 | doub | 1.21Å | 1.22Å | |
| C11 | S1 | sing | 1.71Å | 1.73Å | Aromatic |
| C9 | S1 | sing | 1.76Å | 1.71Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.45Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C19 | F2 | sing | 1.40Å | 1.35Å | |
| N2 | C10 | sing | 1.32Å | 1.39Å | Aromatic |
| N2 | C11 | doub | 1.30Å | 1.36Å | Aromatic |
| C3 | C4 | doub | 1.39Å | 1.41Å | Aromatic |
| C3 | N4 | sing | 1.40Å | 1.33Å | |
| F3 | C19 | sing | 1.40Å | 1.39Å | |
| N3 | C7 | sing | 1.47Å | 1.50Å | |
| N3 | HN3 | sing | 1.01Å | 1.00Å | |
| N3 | HN3A | sing | 1.01Å | 1.00Å | |
| C4 | C5 | sing | 1.37Å | 1.44Å | Aromatic |
| C4 | C21 | sing | 1.51Å | 1.51Å | |
| N4 | C8 | sing | 1.34Å | 1.35Å | |
| N4 | HN4 | sing | 0.97Å | 1.00Å | |
| C5 | C6 | doub | 1.40Å | 1.48Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | C6 | sing | 1.48Å | 1.50Å | Aromatic |
| C7 | C12 | sing | 1.53Å | 1.53Å | |
| C7 | C20 | sing | 1.53Å | 1.53Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | C21 | sing | 1.51Å | 1.54Å | |
| C10 | C9 | doub | 1.35Å | 1.44Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C13 | C18 | doub | 1.38Å | 1.42Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.45Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | C15 | doub | 1.38Å | 1.47Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | C16 | sing | 1.38Å | 1.49Å | Aromatic |
| C15 | C19 | sing | 1.51Å | 1.57Å | |
| C17 | C16 | doub | 1.38Å | 1.44Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | C17 | sing | 1.38Å | 1.44Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C20 | C18 | sing | 1.51Å | 1.53Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 124.2° | 120.2° |
| C2 | C1 | H1 | 117.9° | 119.9° |
| C1 | C2 | C3 | 115.8° | 120.4° |
| C1 | C2 | H2 | 122.1° | 119.8° |
| C6 | C1 | H1 | 117.9° | 119.9° |
| C1 | C6 | C5 | 116.9° | 119.5° |
| C1 | C6 | C9 | 122.6° | 120.3° |
| F1 | C19 | F2 | 110.5° | 109.5° |
| F1 | C19 | F3 | 115.0° | 109.5° |
| F1 | C19 | C15 | 103.1° | 109.5° |
| C11 | N1 | C12 | 119.1° | 120.0° |
| C11 | N1 | HN1 | 106.4° | 120.0° |
| N1 | C11 | S1 | 120.9° | 124.8° |
| N1 | C11 | N2 | 123.8° | 124.8° |
| C12 | N1 | HN1 | 106.4° | 120.0° |
| N1 | C12 | C7 | 111.2° | 109.5° |
| N1 | C12 | H12 | 108.9° | 109.5° |
| N1 | C12 | H12A | 108.9° | 109.5° |
| O1 | C8 | N4 | 123.5° | 126.4° |
| O1 | C8 | C21 | 126.3° | 126.4° |
| C11 | S1 | C9 | 90.3° | 90.4° |
| S1 | C11 | N2 | 114.5° | 110.3° |
| S1 | C9 | C6 | 120.7° | 126.0° |
| S1 | C9 | C10 | 111.3° | 108.0° |
| C3 | C2 | H2 | 122.1° | 119.8° |
| C2 | C3 | C4 | 122.8° | 119.2° |
| C2 | C3 | N4 | 127.2° | 130.7° |
| F2 | C19 | F3 | 113.7° | 109.5° |
| F2 | C19 | C15 | 106.3° | 109.5° |
| C10 | N2 | C11 | 111.8° | 117.0° |
| N2 | C10 | C9 | 112.2° | 114.3° |
| N2 | C10 | H10 | 123.9° | 122.8° |
| C4 | C3 | N4 | 109.7° | 110.2° |
| C3 | C4 | C5 | 121.2° | 121.0° |
| C3 | C4 | C21 | 109.4° | 106.3° |
| C3 | N4 | C8 | 111.9° | 112.2° |
| C3 | N4 | HN4 | 124.1° | 123.9° |
| F3 | C19 | C15 | 107.1° | 109.5° |
| C7 | N3 | HN3 | 109.5° | 111.0° |
| C7 | N3 | HN3A | 109.5° | 110.9° |
| N3 | C7 | C12 | 108.7° | 109.5° |
| N3 | C7 | C20 | 111.0° | 109.5° |
| N3 | C7 | H7 | 110.2° | 109.5° |
| HN3 | N3 | HN3A | 109.4° | 111.0° |
| C5 | C4 | C21 | 129.3° | 132.7° |
| C4 | C5 | C6 | 119.0° | 119.7° |
| C4 | C5 | H5 | 120.5° | 120.1° |
| C4 | C21 | C8 | 98.3° | 104.1° |
| C4 | C21 | H21 | 113.4° | 110.5° |
| C4 | C21 | H21A | 113.4° | 110.5° |
| C8 | N4 | HN4 | 124.1° | 123.9° |
| N4 | C8 | C21 | 110.3° | 107.2° |
| C6 | C5 | H5 | 120.5° | 120.1° |
| C5 | C6 | C9 | 120.4° | 120.2° |
| C6 | C9 | C10 | 127.7° | 126.0° |
| C12 | C7 | C20 | 112.9° | 109.5° |
| C12 | C7 | H7 | 108.2° | 109.4° |
| C7 | C12 | H12 | 108.9° | 109.5° |
| C7 | C12 | H12A | 108.9° | 109.5° |
| C20 | C7 | H7 | 105.8° | 109.5° |
| C7 | C20 | C18 | 110.6° | 109.4° |
| C7 | C20 | H20 | 109.1° | 109.5° |
| C7 | C20 | H20A | 109.1° | 109.5° |
| C8 | C21 | H21 | 113.4° | 110.5° |
| C8 | C21 | H21A | 113.4° | 110.5° |
| C9 | C10 | H10 | 123.9° | 122.9° |
| H12 | C12 | H12A | 110.0° | 109.4° |
| C18 | C13 | C14 | 117.2° | 120.0° |
| C18 | C13 | H13 | 121.4° | 120.0° |
| C13 | C18 | C17 | 125.5° | 120.0° |
| C13 | C18 | C20 | 115.7° | 120.0° |
| C14 | C13 | H13 | 121.4° | 120.0° |
| C13 | C14 | C15 | 121.6° | 120.0° |
| C13 | C14 | H14 | 119.2° | 119.9° |
| C15 | C14 | H14 | 119.2° | 120.1° |
| C14 | C15 | C16 | 117.1° | 120.1° |
| C14 | C15 | C19 | 123.1° | 119.9° |
| C16 | C15 | C19 | 119.8° | 120.0° |
| C15 | C16 | C17 | 122.2° | 120.0° |
| C15 | C16 | H16 | 118.9° | 120.1° |
| C17 | C16 | H16 | 118.9° | 120.0° |
| C16 | C17 | C18 | 116.1° | 120.0° |
| C16 | C17 | H17 | 122.0° | 120.0° |
| C18 | C17 | H17 | 121.9° | 120.0° |
| C17 | C18 | C20 | 118.8° | 120.0° |
| C18 | C20 | H20 | 109.1° | 109.5° |
| C18 | C20 | H20A | 109.1° | 109.4° |
| H20 | C20 | H20A | 109.9° | 109.5° |
| H21 | C21 | H21A | 105.3° | 110.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 179.7° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.2° | 0.0° |
| C1 | C2 | C3 | N4 | 173.0° | 180.0° |
| C2 | C1 | C6 | C5 | 1.3° | 0.1° |
| C2 | C1 | C6 | C9 | 177.3° | 180.0° |
| C1 | C6 | C9 | S1 | 162.4° | 180.0° |
| C6 | C1 | C2 | C3 | 0.6° | 0.0° |
| C6 | C1 | C2 | H2 | 179.4° | 180.0° |
| C1 | C6 | C5 | C4 | 1.2° | 0.1° |
| C1 | C6 | C5 | C9 | 178.7° | 179.9° |
| C1 | C6 | C5 | H5 | 178.8° | 180.0° |
| C1 | C6 | C9 | C10 | 11.2° | 0.1° |
| H1 | C1 | C2 | C3 | 179.4° | 179.8° |
| H1 | C1 | C2 | H2 | 0.6° | 0.3° |
| H1 | C1 | C6 | C5 | 178.7° | 179.7° |
| H1 | C1 | C6 | C9 | 2.6° | 0.2° |
| F1 | C19 | F2 | F3 | 131.1° | 120.0° |
| F1 | C19 | F2 | C15 | 111.2° | 120.0° |
| F1 | C19 | F3 | C15 | 114.0° | 120.0° |
| F1 | C19 | C15 | C14 | 115.2° | 30.0° |
| F1 | C19 | C15 | C16 | 64.0° | 150.0° |
| C11 | N1 | C12 | HN1 | 120.0° | 179.9° |
| N1 | C11 | S1 | N2 | 170.0° | 180.0° |
| N1 | C11 | S1 | C9 | 170.1° | 180.0° |
| N1 | C11 | N2 | C10 | 169.9° | 180.0° |
| C11 | N1 | C12 | C7 | 89.6° | 180.0° |
| C11 | N1 | C12 | H12 | 150.4° | 60.0° |
| C11 | N1 | C12 | H12A | 30.4° | 60.0° |
| C12 | N1 | C11 | S1 | 0.2° | 179.9° |
| C12 | N1 | C11 | N2 | 169.2° | 0.0° |
| N1 | C12 | C7 | N3 | 70.6° | 55.0° |
| N1 | C12 | C7 | H12 | 120.0° | 120.0° |
| N1 | C12 | C7 | H12A | 120.0° | 120.0° |
| N1 | C12 | C7 | C20 | 165.7° | 175.0° |
| N1 | C12 | C7 | H7 | 49.0° | 65.0° |
| N1 | C12 | H12 | H12A | 119.3° | 120.0° |
| HN1 | N1 | C11 | S1 | 119.8° | 0.0° |
| HN1 | N1 | C11 | N2 | 49.2° | 180.0° |
| HN1 | N1 | C12 | C7 | 30.4° | 0.0° |
| HN1 | N1 | C12 | H12 | 89.6° | 120.0° |
| HN1 | N1 | C12 | H12A | 150.4° | 120.1° |
| O1 | C8 | N4 | C3 | 175.8° | 180.0° |
| O1 | C8 | C21 | C4 | 174.1° | 180.0° |
| O1 | C8 | N4 | C21 | 179.7° | 179.9° |
| O1 | C8 | N4 | HN4 | 4.1° | 0.1° |
| O1 | C8 | C21 | H21 | 54.1° | 61.3° |
| O1 | C8 | C21 | H21A | 65.9° | 61.4° |
| S1 | C11 | N2 | C10 | 0.2° | 0.1° |
| C11 | S1 | C9 | C6 | 174.5° | 179.9° |
| C11 | S1 | C9 | C10 | 0.0° | 0.0° |
| S1 | C9 | C10 | N2 | 0.2° | 0.1° |
| C9 | S1 | C11 | N2 | 0.1° | 0.0° |
| S1 | C9 | C6 | C5 | 19.0° | 0.1° |
| S1 | C9 | C6 | C10 | 173.6° | 179.9° |
| S1 | C9 | C10 | H10 | 179.9° | 180.0° |
| C2 | C3 | C4 | N4 | 173.9° | 180.0° |
| C2 | C3 | C4 | C5 | 0.3° | 0.1° |
| C2 | C3 | C4 | C21 | 178.0° | 180.0° |
| C2 | C3 | N4 | C8 | 173.4° | 180.0° |
| C2 | C3 | N4 | HN4 | 6.6° | 0.1° |
| H2 | C2 | C3 | C4 | 179.8° | 180.0° |
| H2 | C2 | C3 | N4 | 7.0° | 0.0° |
| F2 | C19 | F3 | C15 | 117.2° | 120.0° |
| F2 | C19 | C15 | C14 | 128.5° | 150.0° |
| F2 | C19 | C15 | C16 | 52.4° | 30.0° |
| N2 | C10 | C9 | C6 | 173.9° | 180.0° |
| N2 | C10 | C9 | H10 | 180.0° | 179.9° |
| C11 | N2 | C10 | C9 | 0.3° | 0.1° |
| C11 | N2 | C10 | H10 | 179.8° | 180.0° |
| C3 | C4 | C5 | C21 | 177.9° | 179.9° |
| C4 | C3 | N4 | C8 | 0.2° | 0.0° |
| C4 | C3 | N4 | HN4 | 179.8° | 180.0° |
| C3 | C4 | C5 | C6 | 0.5° | 0.1° |
| C3 | C4 | C5 | H5 | 179.5° | 180.0° |
| C3 | C4 | C21 | C8 | 6.0° | 0.0° |
| C3 | C4 | C21 | H21 | 126.0° | 118.6° |
| C3 | C4 | C21 | H21A | 114.0° | 118.7° |
| N4 | C3 | C4 | C5 | 174.2° | 179.9° |
| N4 | C3 | C4 | C21 | 4.1° | 0.0° |
| C3 | N4 | C8 | HN4 | 180.0° | 179.9° |
| C3 | N4 | C8 | C21 | 4.4° | 0.1° |
| F3 | C19 | C15 | C14 | 6.5° | 90.0° |
| F3 | C19 | C15 | C16 | 174.3° | 90.0° |
| C7 | N3 | HN3 | HN3A | 120.0° | 123.9° |
| N3 | C7 | C12 | C20 | 123.7° | 120.1° |
| N3 | C7 | C12 | H7 | 119.7° | 120.0° |
| N3 | C7 | C20 | H7 | 119.5° | 120.0° |
| N3 | C7 | C12 | H12 | 49.4° | 65.0° |
| N3 | C7 | C12 | H12A | 169.4° | 175.0° |
| N3 | C7 | C20 | C18 | 172.9° | 65.0° |
| N3 | C7 | C20 | H20 | 52.9° | 55.0° |
| N3 | C7 | C20 | H20A | 67.1° | 175.0° |
| HN3 | N3 | C7 | C12 | 180.0° | 63.9° |
| HN3 | N3 | C7 | C20 | 55.2° | 176.1° |
| HN3 | N3 | C7 | H7 | 61.6° | 56.1° |
| HN3A | N3 | C7 | C12 | 60.0° | 60.0° |
| HN3A | N3 | C7 | C20 | 175.2° | 60.0° |
| HN3A | N3 | C7 | H7 | 58.4° | 180.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | C9 | 177.5° | 180.0° |
| C5 | C4 | C21 | C8 | 172.1° | 179.9° |
| C5 | C4 | C21 | H21 | 52.1° | 61.3° |
| C5 | C4 | C21 | H21A | 67.9° | 61.4° |
| C4 | C21 | C8 | N4 | 6.2° | 0.1° |
| C21 | C4 | C5 | C6 | 178.4° | 180.0° |
| C21 | C4 | C5 | H5 | 1.6° | 0.1° |
| C4 | C21 | C8 | H21 | 120.0° | 118.7° |
| C4 | C21 | C8 | H21A | 120.0° | 118.6° |
| C4 | C21 | H21 | H21A | 124.5° | 122.6° |
| N4 | C8 | C21 | H21 | 126.2° | 118.6° |
| N4 | C8 | C21 | H21A | 113.8° | 118.7° |
| HN4 | N4 | C8 | C21 | 175.6° | 180.0° |
| C5 | C6 | C9 | C10 | 167.4° | 180.0° |
| H5 | C5 | C6 | C9 | 2.5° | 0.1° |
| C6 | C9 | C10 | H10 | 6.1° | 0.1° |
| C12 | C7 | C20 | H7 | 118.1° | 119.9° |
| C7 | C12 | H12 | H12A | 119.3° | 120.0° |
| C12 | C7 | C20 | C18 | 64.7° | 175.0° |
| C12 | C7 | C20 | H20 | 175.3° | 65.0° |
| C12 | C7 | C20 | H20A | 55.3° | 55.0° |
| C20 | C7 | C12 | H12 | 74.2° | 55.0° |
| C20 | C7 | C12 | H12A | 45.7° | 64.9° |
| C7 | C20 | C18 | C13 | 72.7° | 90.0° |
| C7 | C20 | C18 | C17 | 105.4° | 90.0° |
| C7 | C20 | C18 | H20 | 120.0° | 120.0° |
| C7 | C20 | C18 | H20A | 120.0° | 120.0° |
| C7 | C20 | H20 | H20A | 119.5° | 120.1° |
| H7 | C7 | C12 | H12 | 169.1° | 175.0° |
| H7 | C7 | C12 | H12A | 71.0° | 55.0° |
| H7 | C7 | C20 | C18 | 53.4° | 55.0° |
| H7 | C7 | C20 | H20 | 66.6° | 175.0° |
| H7 | C7 | C20 | H20A | 173.4° | 64.9° |
| C8 | C21 | H21 | H21A | 124.5° | 122.7° |
| C18 | C13 | C14 | H13 | 180.0° | 179.8° |
| C18 | C13 | C14 | C15 | 2.4° | 0.1° |
| C18 | C13 | C14 | H14 | 177.6° | 180.0° |
| C13 | C18 | C17 | C16 | 4.6° | 0.0° |
| C13 | C18 | C17 | C20 | 177.9° | 179.9° |
| C13 | C18 | C17 | H17 | 175.4° | 179.9° |
| C13 | C18 | C20 | H20 | 47.3° | 29.9° |
| C13 | C18 | C20 | H20A | 167.3° | 150.0° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 3.1° | 0.0° |
| C13 | C14 | C15 | C19 | 177.7° | 180.0° |
| C14 | C13 | C18 | C17 | 3.3° | 0.1° |
| C14 | C13 | C18 | C20 | 174.7° | 180.0° |
| H13 | C13 | C14 | C15 | 177.6° | 179.7° |
| H13 | C13 | C14 | H14 | 2.4° | 0.3° |
| H13 | C13 | C18 | C17 | 176.7° | 179.7° |
| H13 | C13 | C18 | C20 | 5.3° | 0.2° |
| C14 | C15 | C16 | C19 | 179.2° | 180.0° |
| C14 | C15 | C16 | C17 | 4.6° | 0.0° |
| C14 | C15 | C16 | H16 | 175.4° | 180.0° |
| H14 | C14 | C15 | C16 | 176.9° | 180.0° |
| H14 | C14 | C15 | C19 | 2.3° | 0.1° |
| C15 | C16 | C17 | H16 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 5.2° | 0.0° |
| C15 | C16 | C17 | H17 | 174.8° | 180.0° |
| C19 | C15 | C16 | C17 | 176.2° | 179.9° |
| C19 | C15 | C16 | H16 | 3.8° | 0.0° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | C20 | 173.3° | 180.0° |
| H16 | C16 | C17 | C18 | 174.9° | 179.9° |
| H16 | C16 | C17 | H17 | 5.2° | 0.1° |
| C17 | C18 | C20 | H20 | 134.6° | 150.0° |
| C17 | C18 | C20 | H20A | 14.6° | 30.0° |
| H17 | C17 | C18 | C20 | 6.7° | 0.0° |
| C18 | C20 | H20 | H20A | 119.5° | 120.0° |
