LZ2
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 | C15 | doub | 1.40Å | 1.40Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | doub | 1.40Å | 1.40Å | Aromatic |
| C9 | C10 | sing | 1.41Å | 1.41Å | Aromatic |
| C9 | C15 | sing | 1.42Å | 1.42Å | Aromatic |
| C10 | O11 | sing | 1.36Å | 1.36Å | |
| C10 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.40Å | 1.40Å | Aromatic |
| N1 | H1N1 | sing | 1.00Å | 1.00Å | |
| N1 | H1N2 | sing | 1.00Å | 1.00Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| O11 | H11 | sing | 0.95Å | 0.95Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | S2 | O3 | 107.5° | 107.5° |
| N1 | S2 | O4 | 107.5° | 107.5° |
| N1 | S2 | C5 | 108.0° | 108.0° |
| S2 | N1 | H1N1 | 109.5° | 109.5° |
| S2 | N1 | H1N2 | 109.5° | 109.5° |
| O3 | S2 | O4 | 119.3° | 119.3° |
| O3 | S2 | C5 | 106.9° | 106.9° |
| O4 | S2 | C5 | 107.3° | 107.3° |
| S2 | C5 | C6 | 117.8° | 117.8° |
| S2 | C5 | C15 | 121.7° | 121.7° |
| C6 | C5 | C15 | 120.4° | 120.4° |
| C5 | C6 | C7 | 120.3° | 120.3° |
| C5 | C6 | H6 | 119.8° | 119.8° |
| C5 | C15 | C9 | 119.2° | 119.2° |
| C5 | C15 | C14 | 122.1° | 122.1° |
| C6 | C7 | C8 | 120.3° | 120.3° |
| C7 | C6 | H6 | 119.9° | 119.8° |
| C6 | C7 | H7 | 119.9° | 119.9° |
| C7 | C8 | C9 | 121.0° | 121.0° |
| C8 | C7 | H7 | 119.9° | 119.9° |
| C7 | C8 | H8 | 119.5° | 119.5° |
| C8 | C9 | C10 | 122.1° | 122.1° |
| C8 | C9 | C15 | 118.7° | 118.7° |
| C9 | C8 | H8 | 119.5° | 119.5° |
| C10 | C9 | C15 | 119.2° | 119.2° |
| C9 | C10 | O11 | 118.6° | 118.6° |
| C9 | C10 | C12 | 120.5° | 120.5° |
| C9 | C15 | C14 | 118.7° | 118.7° |
| O11 | C10 | C12 | 120.9° | 120.9° |
| C10 | O11 | H11 | 109.5° | 109.5° |
| C10 | C12 | C13 | 120.2° | 120.2° |
| C10 | C12 | H12 | 119.9° | 119.9° |
| C12 | C13 | C14 | 120.3° | 120.3° |
| C13 | C12 | H12 | 119.9° | 119.9° |
| C12 | C13 | H13 | 119.8° | 119.8° |
| C13 | C14 | C15 | 121.1° | 121.1° |
| C14 | C13 | H13 | 119.8° | 119.8° |
| C13 | C14 | H14 | 119.5° | 119.5° |
| C15 | C14 | H14 | 119.4° | 119.4° |
| H1N1 | N1 | H1N2 | 109.5° | 109.5° |
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 | 115.7° | 115.7° |
| N1 | S2 | O4 | C5 | 115.9° | 115.9° |
| N1 | S2 | C5 | C6 | 123.5° | 123.5° |
| N1 | S2 | C5 | C15 | 55.4° | 55.4° |
| S2 | N1 | H1N1 | H1N2 | 120.0° | 120.0° |
| O3 | S2 | O4 | C5 | 121.5° | 121.5° |
| O3 | S2 | C5 | C6 | 8.1° | 8.1° |
| O3 | S2 | C5 | C15 | 170.8° | 170.8° |
| O3 | S2 | N1 | H1N1 | 33.9° | 33.9° |
| O3 | S2 | N1 | H1N2 | 86.1° | 86.1° |
| O4 | S2 | C5 | C6 | 120.9° | 120.9° |
| O4 | S2 | C5 | C15 | 60.2° | 60.2° |
| O4 | S2 | N1 | H1N1 | 95.6° | 95.6° |
| O4 | S2 | N1 | H1N2 | 144.4° | 144.4° |
| S2 | C5 | C6 | C15 | 178.9° | 178.9° |
| S2 | C5 | C6 | C7 | 179.0° | 179.0° |
| S2 | C5 | C15 | C9 | 179.4° | 179.4° |
| S2 | C5 | C15 | C14 | 0.9° | 0.9° |
| C5 | S2 | N1 | H1N1 | 148.9° | 148.9° |
| C5 | S2 | N1 | H1N2 | 28.9° | 28.9° |
| S2 | C5 | C6 | H6 | 1.0° | 1.1° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.2° | 0.2° |
| C6 | C5 | C15 | C9 | 0.5° | 0.5° |
| C6 | C5 | C15 | C14 | 179.7° | 179.7° |
| C5 | C6 | C7 | H7 | 179.7° | 179.7° |
| C15 | C5 | C6 | C7 | 0.1° | 0.1° |
| C5 | C15 | C9 | C8 | 0.7° | 0.7° |
| C5 | C15 | C9 | C10 | 179.9° | 179.9° |
| C5 | C15 | C9 | C14 | 179.8° | 179.8° |
| C5 | C15 | C14 | C13 | 179.4° | 179.4° |
| C15 | C5 | C6 | H6 | 179.9° | 180.0° |
| C5 | C15 | C14 | H14 | 0.6° | 0.6° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.1° | 0.1° |
| C6 | C7 | C8 | H8 | 179.9° | 179.9° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 179.6° | 179.6° |
| C7 | C8 | C9 | C15 | 0.4° | 0.4° |
| C8 | C7 | C6 | H6 | 179.8° | 179.7° |
| C8 | C9 | C10 | C15 | 179.2° | 179.2° |
| C8 | C9 | C10 | O11 | 0.1° | 0.1° |
| C8 | C9 | C10 | C12 | 180.0° | 180.0° |
| C8 | C9 | C15 | C14 | 179.6° | 179.6° |
| C9 | C8 | C7 | H7 | 179.9° | 179.9° |
| C9 | C10 | O11 | C12 | 179.9° | 179.9° |
| C9 | C10 | C12 | C13 | 0.7° | 0.7° |
| C10 | C9 | C15 | C14 | 0.4° | 0.4° |
| C10 | C9 | C8 | H8 | 0.5° | 0.5° |
| C9 | C10 | O11 | H11 | 69.9° | 69.9° |
| C9 | C10 | C12 | H12 | 179.3° | 179.3° |
| C15 | C9 | C10 | O11 | 179.3° | 179.3° |
| C15 | C9 | C10 | C12 | 0.8° | 0.8° |
| C9 | C15 | C14 | C13 | 0.3° | 0.3° |
| C15 | C9 | C8 | H8 | 179.6° | 179.6° |
| C9 | C15 | C14 | H14 | 179.7° | 179.7° |
| O11 | C10 | C12 | C13 | 179.5° | 179.5° |
| O11 | C10 | C12 | H12 | 0.6° | 0.6° |
| C10 | C12 | C13 | H12 | 180.0° | 180.0° |
| C10 | C12 | C13 | C14 | 0.0° | 0.0° |
| C12 | C10 | O11 | H11 | 110.2° | 110.2° |
| C10 | C12 | C13 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.5° | 0.5° |
| C12 | C13 | C14 | H14 | 179.5° | 179.5° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C14 | C13 | C12 | H12 | 180.0° | 180.0° |
| C15 | C14 | C13 | H13 | 179.5° | 179.5° |
| H6 | C6 | C7 | H7 | 0.3° | 0.3° |
| H7 | C7 | C8 | H8 | 0.1° | 0.1° |
| H12 | C12 | C13 | H13 | 0.0° | 0.1° |
| H13 | C13 | C14 | H14 | 0.5° | 0.5° |
