L2K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | N2 | sing | 1.47Å | 1.47Å | |
| C6 | C7 | sing | 1.55Å | 1.53Å | |
| N2 | C5 | doub | 1.29Å | 1.28Å | |
| C7 | N3 | sing | 1.46Å | 1.47Å | |
| C5 | N3 | sing | 1.38Å | 1.34Å | |
| C5 | N1 | sing | 1.39Å | 1.36Å | |
| N3 | C8 | sing | 1.46Å | 1.46Å | |
| N1 | N | sing | 1.40Å | 1.39Å | |
| C8 | C4 | sing | 1.50Å | 1.50Å | |
| N | C4 | doub | 1.29Å | 1.29Å | |
| C4 | C3 | sing | 1.47Å | 1.48Å | |
| C2 | C3 | doub | 1.40Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C9 | sing | 1.40Å | 1.40Å | Aromatic |
| C1 | C | doub | 1.39Å | 1.37Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C | C10 | sing | 1.39Å | 1.37Å | Aromatic |
| C | F | sing | 1.35Å | 1.35Å | |
| C10 | F1 | sing | 1.35Å | 1.35Å | |
| C6 | H1 | sing | 1.09Å | 1.10Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.08Å | 1.08Å | |
| C1 | H8 | sing | 1.08Å | 1.08Å | |
| C2 | H9 | sing | 1.08Å | 1.08Å | |
| N1 | H10 | sing | 0.97Å | 1.00Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C6 | C7 | 105.3° | 103.3° |
| C6 | N2 | C5 | 107.2° | 110.1° |
| N2 | C6 | H1 | 110.5° | 110.7° |
| N2 | C6 | H2 | 110.5° | 110.7° |
| C6 | C7 | N3 | 99.9° | 101.9° |
| C7 | C6 | H1 | 110.5° | 110.7° |
| C7 | C6 | H2 | 110.5° | 110.7° |
| C6 | C7 | H3 | 111.8° | 111.0° |
| C6 | C7 | H4 | 111.8° | 110.9° |
| N2 | C5 | N3 | 115.0° | 112.8° |
| N2 | C5 | N1 | 126.0° | 127.3° |
| C7 | N3 | C5 | 108.9° | 107.8° |
| C7 | N3 | C8 | 122.8° | 129.0° |
| N3 | C7 | H3 | 111.8° | 111.0° |
| N3 | C7 | H4 | 111.8° | 111.0° |
| N3 | C5 | N1 | 118.9° | 119.9° |
| C5 | N3 | C8 | 122.6° | 123.2° |
| C5 | N1 | N | 122.6° | 117.4° |
| C5 | N1 | H10 | 118.7° | 121.3° |
| N3 | C8 | C4 | 108.6° | 109.4° |
| N3 | C8 | H5 | 109.7° | 109.5° |
| N3 | C8 | H11 | 109.7° | 109.5° |
| N1 | N | C4 | 118.0° | 123.6° |
| N | N1 | H10 | 118.7° | 121.3° |
| C8 | C4 | N | 125.3° | 124.0° |
| C8 | C4 | C3 | 117.4° | 118.0° |
| C4 | C8 | H5 | 109.7° | 109.5° |
| C4 | C8 | H11 | 109.7° | 109.5° |
| N | C4 | C3 | 117.2° | 118.0° |
| C4 | C3 | C2 | 120.5° | 120.1° |
| C4 | C3 | C9 | 120.1° | 120.1° |
| C3 | C2 | C1 | 120.9° | 119.9° |
| C2 | C3 | C9 | 119.3° | 119.7° |
| C3 | C2 | H9 | 119.5° | 120.0° |
| C2 | C1 | C | 118.9° | 120.2° |
| C2 | C1 | H8 | 120.6° | 119.9° |
| C1 | C2 | H9 | 119.5° | 120.1° |
| C3 | C9 | C10 | 118.8° | 119.9° |
| C3 | C9 | H7 | 120.6° | 120.0° |
| C1 | C | C10 | 120.9° | 120.2° |
| C1 | C | F | 119.9° | 119.9° |
| C | C1 | H8 | 120.6° | 119.9° |
| C9 | C10 | C | 121.2° | 120.1° |
| C9 | C10 | F1 | 120.5° | 119.9° |
| C10 | C9 | H7 | 120.6° | 120.1° |
| C10 | C | F | 119.2° | 119.9° |
| C | C10 | F1 | 118.3° | 119.9° |
| H1 | C6 | H2 | 109.5° | 110.7° |
| H3 | C7 | H4 | 109.5° | 110.8° |
| H5 | C8 | H11 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C6 | C7 | H1 | 119.3° | 118.4° |
| N2 | C6 | C7 | H2 | 119.3° | 118.5° |
| N2 | C6 | C7 | N3 | 18.1° | 17.7° |
| C6 | N2 | C5 | N3 | 2.1° | 2.8° |
| C6 | N2 | C5 | N1 | 174.6° | 175.9° |
| N2 | C6 | H1 | H2 | 121.9° | 123.1° |
| N2 | C6 | C7 | H3 | 100.3° | 100.5° |
| N2 | C6 | C7 | H4 | 136.6° | 135.9° |
| C7 | C6 | N2 | C5 | 13.4° | 10.0° |
| C6 | C7 | N3 | H3 | 118.4° | 118.2° |
| C6 | C7 | N3 | H4 | 118.5° | 118.1° |
| C6 | C7 | N3 | C5 | 17.5° | 20.0° |
| C6 | C7 | N3 | C8 | 171.5° | 157.1° |
| C7 | C6 | H1 | H2 | 121.9° | 123.1° |
| C6 | C7 | H3 | H4 | 124.5° | 123.7° |
| N2 | C5 | N3 | C7 | 10.7° | 15.4° |
| N2 | C5 | N3 | N1 | 177.0° | 178.8° |
| N2 | C5 | N3 | C8 | 164.8° | 161.9° |
| N2 | C5 | N1 | N | 178.3° | 170.4° |
| C5 | N2 | C6 | H1 | 132.8° | 108.4° |
| C5 | N2 | C6 | H2 | 105.9° | 128.5° |
| N2 | C5 | N1 | H10 | 1.7° | 9.4° |
| C7 | N3 | C5 | C8 | 154.0° | 177.3° |
| C7 | N3 | C5 | N1 | 172.3° | 163.4° |
| C7 | N3 | C8 | C4 | 174.3° | 166.2° |
| N3 | C7 | C6 | H1 | 137.5° | 100.7° |
| N3 | C7 | C6 | H2 | 101.2° | 136.2° |
| N3 | C7 | H3 | H4 | 124.4° | 123.7° |
| C7 | N3 | C8 | H5 | 54.5° | 73.8° |
| C7 | N3 | C8 | H11 | 65.8° | 46.2° |
| N3 | C5 | N1 | N | 1.7° | 11.0° |
| C5 | N3 | C8 | C4 | 23.9° | 17.0° |
| C5 | N3 | C7 | H3 | 100.9° | 98.2° |
| C5 | N3 | C7 | H4 | 136.0° | 138.1° |
| C5 | N3 | C8 | H5 | 96.0° | 102.9° |
| N3 | C5 | N1 | H10 | 178.3° | 169.3° |
| C5 | N3 | C8 | H11 | 143.8° | 137.1° |
| N1 | C5 | N3 | C8 | 18.3° | 19.2° |
| C5 | N1 | N | H10 | 180.0° | 179.7° |
| C5 | N1 | N | C4 | 5.8° | 3.2° |
| N3 | C8 | C4 | H5 | 119.9° | 120.0° |
| N3 | C8 | C4 | H11 | 119.9° | 120.1° |
| N3 | C8 | C4 | N | 16.3° | 9.0° |
| N3 | C8 | C4 | C3 | 166.3° | 170.7° |
| C8 | N3 | C7 | H3 | 53.0° | 84.7° |
| C8 | N3 | C7 | H4 | 70.1° | 39.0° |
| N3 | C8 | H5 | H11 | 120.4° | 120.1° |
| N1 | N | C4 | C8 | 2.8° | 2.8° |
| N1 | N | C4 | C3 | 179.8° | 176.9° |
| C8 | C4 | N | C3 | 177.4° | 179.7° |
| C8 | C4 | C3 | C2 | 28.4° | 180.0° |
| C8 | C4 | C3 | C9 | 154.8° | 0.5° |
| C4 | C8 | H5 | H11 | 120.4° | 120.0° |
| N | C4 | C3 | C2 | 149.2° | 0.3° |
| N | C4 | C3 | C9 | 27.6° | 179.2° |
| N | C4 | C8 | H5 | 103.5° | 111.0° |
| C4 | N | N1 | H10 | 174.2° | 177.1° |
| N | C4 | C8 | H11 | 136.2° | 129.0° |
| C4 | C3 | C2 | C9 | 176.8° | 179.5° |
| C4 | C3 | C2 | C1 | 175.0° | 180.0° |
| C4 | C3 | C9 | C10 | 175.5° | 180.0° |
| C3 | C4 | C8 | H5 | 73.8° | 69.3° |
| C4 | C3 | C9 | H7 | 4.5° | 0.3° |
| C4 | C3 | C2 | H9 | 5.0° | 0.5° |
| C3 | C4 | C8 | H11 | 46.4° | 50.7° |
| C3 | C2 | C1 | H9 | 180.0° | 179.5° |
| C3 | C2 | C1 | C | 0.7° | 0.2° |
| C2 | C3 | C9 | C10 | 1.3° | 0.5° |
| C2 | C3 | C9 | H7 | 178.6° | 179.8° |
| C3 | C2 | C1 | H8 | 179.3° | 179.8° |
| C1 | C2 | C3 | C9 | 1.8° | 0.5° |
| C2 | C1 | C | H8 | 180.0° | 180.0° |
| C2 | C1 | C | C10 | 0.8° | 0.1° |
| C2 | C1 | C | F | 178.5° | 180.0° |
| C3 | C9 | C10 | H7 | 180.0° | 179.7° |
| C3 | C9 | C10 | C | 0.2° | 0.2° |
| C3 | C9 | C10 | F1 | 179.1° | 179.7° |
| C9 | C3 | C2 | H9 | 178.2° | 180.0° |
| C1 | C | C10 | C9 | 1.3° | 0.0° |
| C1 | C | C10 | F | 179.4° | 180.0° |
| C1 | C | C10 | F1 | 178.0° | 180.0° |
| C | C1 | C2 | H9 | 179.3° | 179.7° |
| C9 | C10 | C | F1 | 179.3° | 180.0° |
| C9 | C10 | C | F | 178.1° | 180.0° |
| C | C10 | C9 | H7 | 179.8° | 180.0° |
| C10 | C | C1 | H8 | 179.2° | 179.9° |
| F | C | C10 | F1 | 2.6° | 0.0° |
| F | C | C1 | H8 | 1.4° | 0.0° |
| F1 | C10 | C9 | H7 | 0.8° | 0.0° |
| H1 | C6 | C7 | H3 | 19.0° | 141.1° |
| H1 | C6 | C7 | H4 | 104.1° | 17.4° |
| H2 | C6 | C7 | H3 | 140.4° | 18.0° |
| H2 | C6 | C7 | H4 | 17.2° | 105.7° |
| H8 | C1 | C2 | H9 | 0.7° | 0.2° |
