LZ4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | S2 | sing | 1.60Å | 1.60Å | |
| S2 | O3 | doub | 1.44Å | 1.44Å | |
| S2 | O4 | doub | 1.44Å | 1.44Å | |
| S2 | C5 | sing | 1.77Å | 1.77Å | |
| C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C8 | sing | 1.40Å | 1.40Å | Aromatic |
| C8 | N9 | sing | 1.40Å | 1.40Å | |
| C8 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| N9 | C10 | sing | 1.40Å | 1.40Å | |
| C10 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | N16 | doub | 1.34Å | 1.34Å | Aromatic |
| C11 | N12 | doub | 1.33Å | 1.33Å | Aromatic |
| N12 | C13 | sing | 1.34Å | 1.34Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | CL1 | sing | 1.73Å | 1.73Å | |
| C14 | N16 | sing | 1.33Å | 1.33Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| N1 | H1N1 | sing | 1.00Å | 1.00Å | |
| N1 | H1N2 | sing | 1.00Å | 1.00Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| N9 | H9 | sing | 1.00Å | 1.00Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | S2 | O3 | 107.8° | 107.8° |
| N1 | S2 | O4 | 107.4° | 107.4° |
| N1 | S2 | C5 | 107.7° | 107.7° |
| S2 | N1 | H1N1 | 109.5° | 109.5° |
| S2 | N1 | H1N2 | 109.5° | 109.5° |
| O3 | S2 | O4 | 119.0° | 119.0° |
| O3 | S2 | C5 | 107.4° | 107.4° |
| O4 | S2 | C5 | 107.0° | 107.0° |
| S2 | C5 | C6 | 119.8° | 119.8° |
| S2 | C5 | C18 | 119.8° | 119.8° |
| C6 | C5 | C18 | 120.4° | 120.4° |
| C5 | C6 | C7 | 119.6° | 119.6° |
| C5 | C6 | H6 | 120.2° | 120.2° |
| C5 | C18 | C17 | 120.0° | 120.0° |
| C5 | C18 | H18 | 120.0° | 120.0° |
| C6 | C7 | C8 | 120.5° | 120.5° |
| C7 | C6 | H6 | 120.2° | 120.2° |
| C6 | C7 | H7 | 119.8° | 119.8° |
| C7 | C8 | N9 | 120.4° | 120.4° |
| C7 | C8 | C17 | 119.3° | 119.3° |
| C8 | C7 | H7 | 119.8° | 119.8° |
| N9 | C8 | C17 | 120.3° | 120.3° |
| C8 | N9 | C10 | 131.2° | 131.2° |
| C8 | N9 | H9 | 114.4° | 114.4° |
| C8 | C17 | C18 | 120.2° | 120.2° |
| C8 | C17 | H17 | 119.9° | 119.9° |
| N9 | C10 | C11 | 123.3° | 123.3° |
| N9 | C10 | N16 | 114.9° | 114.9° |
| C10 | N9 | H9 | 114.4° | 114.4° |
| C11 | C10 | N16 | 121.8° | 121.8° |
| C10 | C11 | N12 | 122.2° | 122.2° |
| C10 | C11 | H11 | 118.9° | 118.9° |
| C10 | N16 | C14 | 114.8° | 114.8° |
| C11 | N12 | C13 | 116.6° | 116.6° |
| N12 | C11 | H11 | 118.9° | 118.9° |
| N12 | C13 | C14 | 120.5° | 120.5° |
| N12 | C13 | H13 | 119.7° | 119.7° |
| C13 | C14 | CL1 | 119.7° | 119.7° |
| C13 | C14 | N16 | 124.2° | 124.2° |
| C14 | C13 | H13 | 119.7° | 119.7° |
| CL1 | C14 | N16 | 116.2° | 116.2° |
| C17 | C18 | H18 | 120.0° | 120.0° |
| C18 | C17 | H17 | 119.9° | 119.9° |
| H1N1 | N1 | H1N2 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | S2 | O3 | O4 | 122.5° | 122.5° |
| N1 | S2 | O3 | C5 | 115.9° | 115.9° |
| N1 | S2 | O4 | C5 | 115.4° | 115.4° |
| N1 | S2 | C5 | C6 | 93.3° | 93.3° |
| N1 | S2 | C5 | C18 | 86.3° | 86.3° |
| S2 | N1 | H1N1 | H1N2 | 120.0° | 120.0° |
| O3 | S2 | O4 | C5 | 121.8° | 121.8° |
| O3 | S2 | C5 | C6 | 22.7° | 22.7° |
| O3 | S2 | C5 | C18 | 157.8° | 157.8° |
| O3 | S2 | N1 | H1N1 | 93.5° | 93.5° |
| O3 | S2 | N1 | H1N2 | 26.5° | 26.5° |
| O4 | S2 | C5 | C6 | 151.5° | 151.5° |
| O4 | S2 | C5 | C18 | 28.9° | 28.9° |
| O4 | S2 | N1 | H1N1 | 35.9° | 35.9° |
| O4 | S2 | N1 | H1N2 | 155.9° | 155.9° |
| S2 | C5 | C6 | C18 | 179.6° | 179.6° |
| S2 | C5 | C6 | C7 | 179.5° | 179.5° |
| S2 | C5 | C18 | C17 | 179.7° | 179.7° |
| C5 | S2 | N1 | H1N1 | 150.8° | 150.8° |
| C5 | S2 | N1 | H1N2 | 89.2° | 89.2° |
| S2 | C5 | C6 | H6 | 0.5° | 0.5° |
| S2 | C5 | C18 | H18 | 0.3° | 0.3° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.5° | 0.5° |
| C6 | C5 | C18 | C17 | 0.8° | 0.8° |
| C6 | C5 | C18 | H18 | 179.2° | 179.2° |
| C5 | C6 | C7 | H7 | 179.5° | 179.5° |
| C18 | C5 | C6 | C7 | 0.9° | 0.9° |
| C5 | C18 | C17 | C8 | 0.2° | 0.2° |
| C5 | C18 | C17 | H18 | 180.0° | 180.0° |
| C18 | C5 | C6 | H6 | 179.1° | 179.1° |
| C5 | C18 | C17 | H17 | 179.8° | 179.8° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | N9 | 179.5° | 179.5° |
| C6 | C7 | C8 | C17 | 0.1° | 0.1° |
| C7 | C8 | N9 | C17 | 179.4° | 179.4° |
| C7 | C8 | N9 | C10 | 178.3° | 178.3° |
| C7 | C8 | C17 | C18 | 0.2° | 0.2° |
| C8 | C7 | C6 | H6 | 179.5° | 179.5° |
| C7 | C8 | N9 | H9 | 1.7° | 1.7° |
| C7 | C8 | C17 | H17 | 179.8° | 179.8° |
| C8 | N9 | C10 | H9 | 180.0° | 180.0° |
| C8 | N9 | C10 | C11 | 34.6° | 34.6° |
| C8 | N9 | C10 | N16 | 145.9° | 145.9° |
| N9 | C8 | C17 | C18 | 179.7° | 179.7° |
| N9 | C8 | C7 | H7 | 0.5° | 0.5° |
| N9 | C8 | C17 | H17 | 0.4° | 0.4° |
| C17 | C8 | N9 | C10 | 1.2° | 1.2° |
| C8 | C17 | C18 | H17 | 180.0° | 180.0° |
| C8 | C17 | C18 | H18 | 179.8° | 179.8° |
| C17 | C8 | C7 | H7 | 179.9° | 179.9° |
| C17 | C8 | N9 | H9 | 178.8° | 178.8° |
| N9 | C10 | C11 | N16 | 179.4° | 179.4° |
| N9 | C10 | C11 | N12 | 179.8° | 179.8° |
| N9 | C10 | N16 | C14 | 179.4° | 179.4° |
| N9 | C10 | C11 | H11 | 0.2° | 0.2° |
| C10 | C11 | N12 | H11 | 180.0° | 180.0° |
| C10 | C11 | N12 | C13 | 0.3° | 0.3° |
| C11 | C10 | N16 | C14 | 0.1° | 0.1° |
| C11 | C10 | N9 | H9 | 145.4° | 145.4° |
| N16 | C10 | C11 | N12 | 0.4° | 0.4° |
| C10 | N16 | C14 | C13 | 0.5° | 0.5° |
| C10 | N16 | C14 | CL1 | 179.8° | 179.8° |
| N16 | C10 | N9 | H9 | 34.1° | 34.1° |
| N16 | C10 | C11 | H11 | 179.6° | 179.6° |
| C11 | N12 | C13 | C14 | 0.1° | 0.1° |
| C11 | N12 | C13 | H13 | 179.9° | 179.9° |
| N12 | C13 | C14 | H13 | 180.0° | 180.0° |
| N12 | C13 | C14 | CL1 | 179.8° | 179.8° |
| N12 | C13 | C14 | N16 | 0.6° | 0.6° |
| C13 | N12 | C11 | H11 | 179.7° | 179.7° |
| C13 | C14 | CL1 | N16 | 179.3° | 179.3° |
| CL1 | C14 | C13 | H13 | 0.2° | 0.2° |
| N16 | C14 | C13 | H13 | 179.4° | 179.4° |
| H6 | C6 | C7 | H7 | 0.5° | 0.5° |
| H18 | C18 | C17 | H17 | 0.2° | 0.2° |
