L9F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | N2 | doub | 1.32Å | 1.34Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| N2 | C13 | sing | 1.32Å | 1.34Å | Aromatic |
| C11 | C10 | doub | 1.39Å | 1.38Å | Aromatic |
| C13 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | C7 | sing | 1.51Å | 1.52Å | |
| O1 | C8 | doub | 1.21Å | 1.22Å | |
| CL | C | sing | 1.74Å | 1.74Å | |
| C7 | C8 | sing | 1.52Å | 1.52Å | |
| C7 | N1 | sing | 1.47Å | 1.46Å | |
| C8 | N | sing | 1.35Å | 1.39Å | |
| C5 | C | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| N1 | C6 | sing | 1.34Å | 1.35Å | |
| C | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| N | C6 | sing | 1.34Å | 1.40Å | |
| N | C4 | sing | 1.40Å | 1.44Å | |
| C6 | O | doub | 1.21Å | 1.22Å | |
| C4 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| C12 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å | |
| C1 | H8 | sing | 1.08Å | 1.08Å | |
| C2 | H9 | sing | 1.08Å | 1.08Å | |
| C3 | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C12 | C11 | 123.2° | 120.7° |
| C12 | N2 | C13 | 117.3° | 121.7° |
| N2 | C12 | H6 | 118.4° | 119.6° |
| C12 | C11 | C10 | 118.1° | 119.2° |
| C11 | C12 | H6 | 118.4° | 119.6° |
| C12 | C11 | H7 | 120.9° | 120.4° |
| N2 | C13 | C9 | 124.2° | 120.8° |
| N2 | C13 | H5 | 117.9° | 119.6° |
| C11 | C10 | C9 | 120.2° | 118.4° |
| C11 | C10 | H4 | 119.9° | 120.8° |
| C10 | C11 | H7 | 121.0° | 120.4° |
| C13 | C9 | C10 | 116.9° | 119.2° |
| C13 | C9 | C7 | 121.5° | 120.4° |
| C9 | C13 | H5 | 117.9° | 119.6° |
| C10 | C9 | C7 | 121.2° | 120.4° |
| C9 | C10 | H4 | 119.9° | 120.8° |
| C9 | C7 | C8 | 113.2° | 110.6° |
| C9 | C7 | N1 | 117.7° | 110.4° |
| C9 | C7 | H3 | 107.8° | 110.7° |
| O1 | C8 | C7 | 128.7° | 127.2° |
| O1 | C8 | N | 124.8° | 127.1° |
| CL | C | C5 | 118.8° | 120.0° |
| CL | C | C1 | 119.2° | 120.0° |
| C8 | C7 | N1 | 101.2° | 103.6° |
| C7 | C8 | N | 106.4° | 105.7° |
| C8 | C7 | H3 | 107.9° | 110.6° |
| C7 | N1 | C6 | 113.2° | 106.7° |
| C7 | N1 | H1 | 123.4° | 126.6° |
| N1 | C7 | H3 | 108.6° | 110.8° |
| C8 | N | C6 | 111.3° | 111.6° |
| C8 | N | C4 | 123.9° | 124.2° |
| C | C5 | C4 | 118.6° | 119.9° |
| C5 | C | C1 | 122.0° | 120.1° |
| C | C5 | H2 | 120.7° | 120.1° |
| C5 | C4 | N | 119.7° | 120.1° |
| C5 | C4 | C3 | 120.4° | 119.9° |
| C4 | C5 | H2 | 120.7° | 120.0° |
| N1 | C6 | N | 106.8° | 112.4° |
| N1 | C6 | O | 127.0° | 123.8° |
| C6 | N1 | H1 | 123.4° | 126.7° |
| C | C1 | C2 | 118.8° | 120.2° |
| C | C1 | H8 | 120.6° | 120.0° |
| C6 | N | C4 | 124.7° | 124.1° |
| N | C6 | O | 126.3° | 123.8° |
| N | C4 | C3 | 119.9° | 120.0° |
| C4 | C3 | C2 | 119.7° | 119.9° |
| C4 | C3 | H10 | 120.1° | 120.0° |
| C1 | C2 | C3 | 120.5° | 120.1° |
| C2 | C1 | H8 | 120.6° | 119.9° |
| C1 | C2 | H9 | 119.8° | 120.0° |
| C3 | C2 | H9 | 119.7° | 119.9° |
| C2 | C3 | H10 | 120.2° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C12 | C11 | H6 | 180.0° | 179.1° |
| N2 | C12 | C11 | C10 | 0.4° | 0.6° |
| C12 | N2 | C13 | C9 | 1.3° | 0.6° |
| C12 | N2 | C13 | H5 | 178.7° | 179.4° |
| N2 | C12 | C11 | H7 | 179.6° | 179.4° |
| C11 | C12 | N2 | C13 | 0.0° | 0.9° |
| C12 | C11 | C10 | H7 | 180.0° | 180.0° |
| C12 | C11 | C10 | C9 | 0.4° | 0.0° |
| C12 | C11 | C10 | H4 | 179.6° | 179.7° |
| N2 | C13 | C9 | H5 | 180.0° | 180.0° |
| N2 | C13 | C9 | C10 | 2.1° | 0.0° |
| N2 | C13 | C9 | C7 | 169.9° | 180.0° |
| C13 | N2 | C12 | H6 | 180.0° | 180.0° |
| C11 | C10 | C9 | C13 | 1.6° | 0.3° |
| C11 | C10 | C9 | H4 | 180.0° | 179.7° |
| C11 | C10 | C9 | C7 | 170.4° | 179.7° |
| C10 | C11 | C12 | H6 | 179.5° | 179.7° |
| C13 | C9 | C10 | C7 | 172.0° | 180.0° |
| C13 | C9 | C7 | C8 | 49.0° | 80.0° |
| C13 | C9 | C7 | N1 | 68.6° | 34.1° |
| C13 | C9 | C7 | H3 | 168.2° | 157.1° |
| C13 | C9 | C10 | H4 | 178.4° | 180.0° |
| C10 | C9 | C7 | C8 | 122.6° | 100.0° |
| C10 | C9 | C7 | N1 | 119.8° | 145.9° |
| C10 | C9 | C7 | H3 | 3.4° | 22.9° |
| C10 | C9 | C13 | H5 | 177.9° | 180.0° |
| C9 | C10 | C11 | H7 | 179.6° | 180.0° |
| C9 | C7 | C8 | O1 | 39.3° | 61.7° |
| C9 | C7 | C8 | N1 | 126.9° | 118.3° |
| C9 | C7 | C8 | H3 | 119.2° | 123.0° |
| C9 | C7 | N1 | H3 | 122.8° | 123.0° |
| C9 | C7 | C8 | N | 137.3° | 118.6° |
| C9 | C7 | N1 | C6 | 133.5° | 118.4° |
| C9 | C7 | N1 | H1 | 46.5° | 61.2° |
| C7 | C9 | C10 | H4 | 9.6° | 0.0° |
| C7 | C9 | C13 | H5 | 10.1° | 0.0° |
| O1 | C8 | C7 | N | 176.6° | 179.8° |
| O1 | C8 | C7 | N1 | 166.1° | 180.0° |
| O1 | C8 | N | C6 | 168.2° | 179.8° |
| O1 | C8 | N | C4 | 7.8° | 0.3° |
| O1 | C8 | C7 | H3 | 79.9° | 61.3° |
| CL | C | C5 | C1 | 178.6° | 179.9° |
| CL | C | C5 | C4 | 178.3° | 180.0° |
| CL | C | C1 | C2 | 177.5° | 180.0° |
| CL | C | C5 | H2 | 1.7° | 0.0° |
| CL | C | C1 | H8 | 2.5° | 0.0° |
| C8 | C7 | N1 | H3 | 113.4° | 118.6° |
| C8 | C7 | N1 | C6 | 9.6° | 0.1° |
| C7 | C8 | N | C6 | 8.6° | 0.4° |
| C7 | C8 | N | C4 | 175.4° | 180.0° |
| C8 | C7 | N1 | H1 | 170.4° | 179.7° |
| N1 | C7 | C8 | N | 10.5° | 0.2° |
| C7 | N1 | C6 | H1 | 180.0° | 179.6° |
| C7 | N1 | C6 | N | 4.9° | 0.3° |
| C7 | N1 | C6 | O | 174.7° | 179.7° |
| C8 | N | C4 | C5 | 100.7° | 173.6° |
| C8 | N | C6 | N1 | 2.6° | 0.5° |
| C8 | N | C6 | C4 | 176.0° | 179.6° |
| C8 | N | C6 | O | 177.7° | 179.6° |
| C8 | N | C4 | C3 | 76.8° | 6.1° |
| N | C8 | C7 | H3 | 103.5° | 118.5° |
| C | C5 | C4 | H2 | 180.0° | 180.0° |
| C | C5 | C4 | N | 176.5° | 179.7° |
| C | C5 | C4 | C3 | 1.0° | 0.0° |
| C5 | C | C1 | C2 | 1.1° | 0.1° |
| C5 | C | C1 | H8 | 178.9° | 179.9° |
| C4 | C5 | C | C1 | 0.3° | 0.0° |
| C5 | C4 | N | C6 | 74.8° | 6.8° |
| C5 | C4 | N | C3 | 177.5° | 179.7° |
| C5 | C4 | C3 | C2 | 1.5° | 0.0° |
| C5 | C4 | C3 | H10 | 178.6° | 179.9° |
| N1 | C6 | N | O | 179.7° | 179.9° |
| N1 | C6 | N | C4 | 178.6° | 179.9° |
| C6 | N1 | C7 | H3 | 103.8° | 118.6° |
| C | C1 | C2 | H8 | 180.0° | 180.0° |
| C | C1 | C2 | C3 | 0.7° | 0.1° |
| C1 | C | C5 | H2 | 179.7° | 180.0° |
| C | C1 | C2 | H9 | 179.3° | 180.0° |
| C6 | N | C4 | C3 | 107.7° | 173.5° |
| N | C6 | N1 | H1 | 175.1° | 179.9° |
| C4 | N | C6 | O | 1.8° | 0.0° |
| N | C4 | C3 | C2 | 176.0° | 179.7° |
| N | C4 | C5 | H2 | 3.5° | 0.3° |
| N | C4 | C3 | H10 | 3.9° | 0.4° |
| O | C6 | N1 | H1 | 5.3° | 0.1° |
| C4 | C3 | C2 | C1 | 0.6° | 0.0° |
| C4 | C3 | C2 | H10 | 180.0° | 179.9° |
| C3 | C4 | C5 | H2 | 179.0° | 180.0° |
| C4 | C3 | C2 | H9 | 179.4° | 180.0° |
| C1 | C2 | C3 | H9 | 180.0° | 179.9° |
| C1 | C2 | C3 | H10 | 179.4° | 180.0° |
| C3 | C2 | C1 | H8 | 179.3° | 179.9° |
| H1 | N1 | C7 | H3 | 76.2° | 61.7° |
| H4 | C10 | C11 | H7 | 0.4° | 0.3° |
| H6 | C12 | C11 | H7 | 0.4° | 0.3° |
| H8 | C1 | C2 | H9 | 0.7° | 0.0° |
| H9 | C2 | C3 | H10 | 0.6° | 0.1° |
