LXK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C4 | sing | 1.53Å | 1.54Å | |
| C14 | C8 | sing | 1.53Å | 1.53Å | |
| C14 | C9 | sing | 1.53Å | 1.53Å | |
| N12 | C5 | sing | 1.38Å | 1.34Å | |
| C5 | S7 | sing | 1.70Å | 1.73Å | Aromatic |
| C5 | C2 | doub | 1.37Å | 1.39Å | Aromatic |
| S7 | C3 | sing | 1.76Å | 1.74Å | Aromatic |
| N13 | C6 | trip | 1.14Å | 1.14Å | |
| C6 | C2 | sing | 1.43Å | 1.43Å | |
| C2 | C1 | sing | 1.45Å | 1.43Å | Aromatic |
| C3 | C1 | doub | 1.34Å | 1.36Å | Aromatic |
| C3 | C8 | sing | 1.52Å | 1.50Å | |
| C1 | C4 | sing | 1.52Å | 1.56Å | |
| C4 | C9 | sing | 1.53Å | 1.54Å | |
| C4 | C11 | sing | 1.53Å | 1.54Å | |
| C8 | H1 | sing | 1.09Å | 1.10Å | |
| C8 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| N12 | H6 | sing | 0.97Å | 1.00Å | |
| N12 | H7 | sing | 0.97Å | 1.00Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C4 | C1 | 111.0° | 109.7° |
| C10 | C4 | C9 | 107.5° | 109.6° |
| C10 | C4 | C11 | 108.3° | 109.6° |
| C4 | C10 | H3 | 109.5° | 109.5° |
| C4 | C10 | H4 | 109.4° | 109.5° |
| C4 | C10 | H5 | 109.4° | 109.5° |
| C8 | C14 | C9 | 110.9° | 109.1° |
| C14 | C8 | C3 | 109.8° | 108.8° |
| C14 | C8 | H1 | 109.4° | 109.6° |
| C14 | C8 | H2 | 109.4° | 109.7° |
| C8 | C14 | H13 | 109.1° | 109.5° |
| C8 | C14 | H14 | 109.1° | 109.5° |
| C14 | C9 | C4 | 115.5° | 109.2° |
| C14 | C9 | H8 | 108.0° | 109.6° |
| C14 | C9 | H9 | 107.9° | 109.6° |
| C9 | C14 | H13 | 109.1° | 109.5° |
| C9 | C14 | H14 | 109.1° | 109.6° |
| N12 | C5 | S7 | 120.2° | 124.6° |
| N12 | C5 | C2 | 128.8° | 124.7° |
| C5 | N12 | H6 | 109.5° | 120.1° |
| C5 | N12 | H7 | 109.5° | 120.0° |
| S7 | C5 | C2 | 111.0° | 110.7° |
| C5 | S7 | C3 | 91.3° | 92.7° |
| C5 | C2 | C6 | 118.7° | 123.3° |
| C5 | C2 | C1 | 113.1° | 113.4° |
| S7 | C3 | C1 | 112.9° | 110.8° |
| S7 | C3 | C8 | 120.9° | 124.9° |
| N13 | C6 | C2 | 176.8° | 180.0° |
| C6 | C2 | C1 | 128.2° | 123.4° |
| C2 | C1 | C3 | 111.6° | 112.4° |
| C2 | C1 | C4 | 127.2° | 124.1° |
| C1 | C3 | C8 | 125.9° | 124.3° |
| C3 | C1 | C4 | 121.1° | 123.5° |
| C3 | C8 | H1 | 109.4° | 109.6° |
| C3 | C8 | H2 | 109.4° | 109.5° |
| C1 | C4 | C9 | 112.2° | 108.8° |
| C1 | C4 | C11 | 111.0° | 109.6° |
| C9 | C4 | C11 | 106.6° | 109.6° |
| C4 | C9 | H8 | 107.9° | 109.5° |
| C4 | C9 | H9 | 108.0° | 109.5° |
| C4 | C11 | H10 | 109.5° | 109.5° |
| C4 | C11 | H11 | 109.5° | 109.5° |
| C4 | C11 | H12 | 109.4° | 109.5° |
| H1 | C8 | H2 | 109.5° | 109.6° |
| H3 | C10 | H4 | 109.5° | 109.4° |
| H3 | C10 | H5 | 109.5° | 109.5° |
| H4 | C10 | H5 | 109.5° | 109.5° |
| H6 | N12 | H7 | 109.5° | 120.0° |
| H8 | C9 | H9 | 109.5° | 109.5° |
| H10 | C11 | H11 | 109.4° | 109.4° |
| H10 | C11 | H12 | 109.5° | 109.4° |
| H11 | C11 | H12 | 109.5° | 109.5° |
| H13 | C14 | H14 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C4 | C9 | C14 | 93.9° | 69.3° |
| C10 | C4 | C1 | C2 | 59.6° | 77.4° |
| C10 | C4 | C1 | C3 | 122.8° | 102.7° |
| C10 | C4 | C1 | C9 | 120.3° | 119.8° |
| C10 | C4 | C1 | C11 | 120.5° | 120.4° |
| C10 | C4 | C9 | C11 | 116.0° | 120.3° |
| C4 | C10 | H3 | H4 | 120.0° | 120.0° |
| C4 | C10 | H3 | H5 | 120.0° | 120.0° |
| C4 | C10 | H4 | H5 | 120.0° | 120.0° |
| C10 | C4 | C9 | H8 | 145.2° | 50.6° |
| C10 | C4 | C9 | H9 | 27.0° | 170.7° |
| C10 | C4 | C11 | H10 | 180.0° | 60.3° |
| C10 | C4 | C11 | H11 | 60.0° | 59.7° |
| C10 | C4 | C11 | H12 | 60.0° | 179.8° |
| C8 | C14 | C9 | H13 | 120.2° | 119.9° |
| C8 | C14 | C9 | H14 | 120.2° | 119.9° |
| C14 | C8 | C3 | S7 | 151.5° | 163.4° |
| C14 | C8 | C3 | C1 | 21.8° | 16.6° |
| C14 | C8 | C3 | H1 | 120.0° | 119.8° |
| C14 | C8 | C3 | H2 | 120.1° | 119.9° |
| C8 | C14 | C9 | C4 | 56.4° | 70.3° |
| C14 | C8 | H1 | H2 | 119.9° | 120.5° |
| C8 | C14 | C9 | H8 | 64.5° | 169.8° |
| C8 | C14 | C9 | H9 | 177.3° | 49.6° |
| C8 | C14 | H13 | H14 | 119.3° | 120.2° |
| C9 | C14 | C8 | C3 | 50.6° | 50.0° |
| C14 | C9 | C4 | C1 | 28.4° | 50.6° |
| C14 | C9 | C4 | H8 | 120.9° | 120.0° |
| C14 | C9 | C4 | H9 | 120.9° | 119.9° |
| C14 | C9 | C4 | C11 | 150.1° | 170.4° |
| C9 | C14 | C8 | H1 | 170.6° | 69.8° |
| C9 | C14 | C8 | H2 | 69.5° | 169.8° |
| C14 | C9 | H8 | H9 | 117.3° | 120.2° |
| C9 | C14 | H13 | H14 | 119.3° | 120.2° |
| N12 | C5 | S7 | C2 | 179.2° | 180.0° |
| N12 | C5 | S7 | C3 | 178.7° | 180.0° |
| N12 | C5 | C2 | C6 | 2.1° | 0.1° |
| N12 | C5 | C2 | C1 | 179.9° | 179.9° |
| C5 | N12 | H6 | H7 | 120.0° | 179.9° |
| S7 | C5 | C2 | C6 | 178.7° | 180.0° |
| S7 | C5 | C2 | C1 | 0.9° | 0.0° |
| C5 | S7 | C3 | C1 | 2.0° | 0.0° |
| C5 | S7 | C3 | C8 | 176.1° | 180.0° |
| S7 | C5 | N12 | H6 | 0.0° | 0.1° |
| S7 | C5 | N12 | H7 | 120.0° | 180.0° |
| C2 | C5 | S7 | C3 | 0.6° | 0.0° |
| C5 | C2 | C6 | N13 | 0.6° | 177.3° |
| C5 | C2 | C6 | C1 | 177.5° | 180.0° |
| C5 | C2 | C1 | C3 | 2.4° | 0.0° |
| C5 | C2 | C1 | C4 | 179.8° | 180.0° |
| C2 | C5 | N12 | H6 | 179.1° | 180.0° |
| C2 | C5 | N12 | H7 | 59.1° | 0.1° |
| S7 | C3 | C1 | C2 | 2.8° | 0.0° |
| S7 | C3 | C1 | C8 | 173.7° | 180.0° |
| S7 | C3 | C1 | C4 | 179.2° | 180.0° |
| S7 | C3 | C8 | H1 | 31.5° | 76.8° |
| S7 | C3 | C8 | H2 | 88.5° | 43.5° |
| N13 | C6 | C2 | C1 | 176.8° | 2.7° |
| C6 | C2 | C1 | C3 | 180.0° | 180.0° |
| C6 | C2 | C1 | C4 | 2.2° | 0.0° |
| C2 | C1 | C3 | C4 | 178.0° | 179.9° |
| C2 | C1 | C3 | C8 | 176.5° | 179.9° |
| C2 | C1 | C4 | C9 | 179.9° | 162.8° |
| C2 | C1 | C4 | C11 | 60.9° | 43.0° |
| C3 | C1 | C4 | C9 | 2.4° | 17.1° |
| C3 | C1 | C4 | C11 | 116.7° | 136.9° |
| C1 | C3 | C8 | H1 | 141.8° | 103.2° |
| C1 | C3 | C8 | H2 | 98.3° | 136.6° |
| C8 | C3 | C1 | C4 | 5.5° | 0.0° |
| C3 | C8 | H1 | H2 | 119.9° | 120.2° |
| C3 | C8 | C14 | H13 | 170.8° | 169.9° |
| C3 | C8 | C14 | H14 | 69.6° | 69.9° |
| C1 | C4 | C9 | C11 | 121.7° | 119.8° |
| C1 | C4 | C10 | H3 | 180.0° | 59.3° |
| C1 | C4 | C10 | H4 | 60.0° | 60.6° |
| C1 | C4 | C10 | H5 | 60.0° | 179.3° |
| C1 | C4 | C9 | H8 | 92.5° | 170.6° |
| C1 | C4 | C9 | H9 | 149.3° | 69.3° |
| C1 | C4 | C11 | H10 | 57.9° | 179.3° |
| C1 | C4 | C11 | H11 | 177.9° | 60.7° |
| C1 | C4 | C11 | H12 | 62.1° | 59.3° |
| C9 | C4 | C10 | H3 | 56.9° | 60.0° |
| C9 | C4 | C10 | H4 | 63.0° | 180.0° |
| C9 | C4 | C10 | H5 | 177.0° | 60.0° |
| C4 | C9 | H8 | H9 | 117.3° | 120.1° |
| C9 | C4 | C11 | H10 | 64.5° | 60.0° |
| C9 | C4 | C11 | H11 | 55.5° | 180.0° |
| C9 | C4 | C11 | H12 | 175.5° | 60.0° |
| C4 | C9 | C14 | H13 | 176.6° | 169.8° |
| C4 | C9 | C14 | H14 | 63.8° | 49.6° |
| C11 | C4 | C10 | H3 | 57.9° | 179.7° |
| C11 | C4 | C10 | H4 | 177.9° | 59.8° |
| C11 | C4 | C10 | H5 | 62.1° | 60.3° |
| C11 | C4 | C9 | H8 | 29.2° | 69.6° |
| C11 | C4 | C9 | H9 | 89.1° | 50.5° |
| C4 | C11 | H10 | H11 | 120.0° | 120.0° |
| C4 | C11 | H10 | H12 | 120.0° | 120.0° |
| C4 | C11 | H11 | H12 | 120.0° | 120.1° |
| H1 | C8 | C14 | H13 | 69.2° | 50.1° |
| H1 | C8 | C14 | H14 | 50.4° | 170.3° |
| H2 | C8 | C14 | H13 | 50.7° | 70.3° |
| H2 | C8 | C14 | H14 | 170.3° | 49.9° |
| H3 | C10 | H4 | H5 | 120.0° | 120.0° |
| H8 | C9 | C14 | H13 | 55.7° | 49.9° |
| H8 | C9 | C14 | H14 | 175.3° | 70.3° |
| H9 | C9 | C14 | H13 | 62.5° | 70.3° |
| H9 | C9 | C14 | H14 | 57.1° | 169.5° |
| H10 | C11 | H11 | H12 | 120.0° | 119.9° |
