6LH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | S1 | sing | 1.66Å | 1.55Å | |
| O5 | S1 | doub | 1.42Å | 1.47Å | |
| S1 | C14 | sing | 1.76Å | 1.63Å | |
| S1 | O6 | doub | 1.42Å | 1.47Å | |
| N1 | C10 | sing | 1.47Å | 1.47Å | |
| C13 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.51Å | 1.51Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| N2 | H6 | sing | 0.97Å | 1.00Å | |
| N2 | H7 | sing | 0.97Å | 1.00Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C13 | H9 | sing | 1.08Å | 1.08Å | |
| C15 | H10 | sing | 1.08Å | 1.08Å | |
| C16 | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | S1 | O5 | 113.4° | 106.4° |
| N2 | S1 | C14 | 111.4° | 107.2° |
| N2 | S1 | O6 | 108.9° | 106.5° |
| S1 | N2 | H6 | 109.5° | 119.9° |
| S1 | N2 | H7 | 109.5° | 120.1° |
| O5 | S1 | C14 | 108.8° | 106.4° |
| O5 | S1 | O6 | 105.8° | 123.1° |
| C14 | S1 | O6 | 108.3° | 106.4° |
| S1 | C14 | C13 | 121.7° | 120.0° |
| S1 | C14 | C15 | 120.7° | 120.0° |
| N1 | C10 | C11 | 108.4° | 109.5° |
| C10 | N1 | H1 | 109.5° | 111.1° |
| C10 | N1 | H2 | 109.5° | 110.9° |
| N1 | C10 | H4 | 109.7° | 109.5° |
| N1 | C10 | H5 | 109.8° | 109.4° |
| C14 | C13 | C12 | 121.3° | 120.0° |
| C13 | C14 | C15 | 117.6° | 120.0° |
| C14 | C13 | H9 | 119.4° | 120.0° |
| C13 | C12 | C11 | 120.1° | 120.0° |
| C13 | C12 | H8 | 120.0° | 120.0° |
| C12 | C13 | H9 | 119.4° | 120.0° |
| C14 | C15 | C16 | 120.9° | 120.0° |
| C14 | C15 | H10 | 119.6° | 120.0° |
| C12 | C11 | C16 | 118.9° | 120.0° |
| C12 | C11 | C10 | 120.3° | 120.0° |
| C11 | C12 | H8 | 120.0° | 120.1° |
| C15 | C16 | C11 | 121.3° | 120.0° |
| C16 | C15 | H10 | 119.5° | 120.0° |
| C15 | C16 | H11 | 119.4° | 120.0° |
| C16 | C11 | C10 | 120.8° | 120.0° |
| C11 | C16 | H11 | 119.4° | 119.9° |
| C11 | C10 | H4 | 109.7° | 109.5° |
| C11 | C10 | H5 | 109.7° | 109.5° |
| H1 | N1 | H2 | 109.5° | 111.0° |
| H4 | C10 | H5 | 109.5° | 109.4° |
| H6 | N2 | H7 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | S1 | O5 | C14 | 124.6° | 114.1° |
| N2 | S1 | O5 | O6 | 119.3° | 123.0° |
| N2 | S1 | C14 | O6 | 119.7° | 113.6° |
| N2 | S1 | C14 | C13 | 129.1° | 89.9° |
| N2 | S1 | C14 | C15 | 52.0° | 90.0° |
| S1 | N2 | H6 | H7 | 120.0° | 180.0° |
| O5 | S1 | C14 | O6 | 114.5° | 132.9° |
| O5 | S1 | C14 | C13 | 3.3° | 23.6° |
| O5 | S1 | C14 | C15 | 177.8° | 156.4° |
| O5 | S1 | N2 | H6 | 180.0° | 96.5° |
| O5 | S1 | N2 | H7 | 60.0° | 83.6° |
| S1 | C14 | C13 | C15 | 178.9° | 180.0° |
| S1 | C14 | C13 | C12 | 178.6° | 180.0° |
| S1 | C14 | C15 | C16 | 177.9° | 179.9° |
| C14 | S1 | N2 | H6 | 56.8° | 150.0° |
| C14 | S1 | N2 | H7 | 176.8° | 30.0° |
| S1 | C14 | C13 | H9 | 1.4° | 0.1° |
| S1 | C14 | C15 | H10 | 2.2° | 0.0° |
| O6 | S1 | C14 | C13 | 111.2° | 156.5° |
| O6 | S1 | C14 | C15 | 67.7° | 23.6° |
| O6 | S1 | N2 | H6 | 62.5° | 36.4° |
| O6 | S1 | N2 | H7 | 57.5° | 143.5° |
| N1 | C10 | C11 | C12 | 95.2° | 89.7° |
| N1 | C10 | C11 | C16 | 84.1° | 90.0° |
| N1 | C10 | C11 | H4 | 119.8° | 120.0° |
| N1 | C10 | C11 | H5 | 119.8° | 120.0° |
| C10 | N1 | H1 | H2 | 120.0° | 123.9° |
| N1 | C10 | H4 | H5 | 120.5° | 119.9° |
| C14 | C13 | C12 | H9 | 180.0° | 179.9° |
| C14 | C13 | C12 | C11 | 0.5° | 0.0° |
| C13 | C14 | C15 | C16 | 1.0° | 0.0° |
| C14 | C13 | C12 | H8 | 179.5° | 180.0° |
| C13 | C14 | C15 | H10 | 179.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.3° | 0.0° |
| C13 | C12 | C11 | H8 | 180.0° | 180.0° |
| C13 | C12 | C11 | C16 | 0.6° | 0.1° |
| C13 | C12 | C11 | C10 | 179.9° | 179.7° |
| C14 | C15 | C16 | H10 | 180.0° | 179.9° |
| C14 | C15 | C16 | C11 | 0.9° | 0.1° |
| C15 | C14 | C13 | H9 | 179.7° | 179.9° |
| C14 | C15 | C16 | H11 | 179.1° | 179.8° |
| C12 | C11 | C16 | C15 | 0.1° | 0.1° |
| C12 | C11 | C16 | C10 | 179.3° | 179.6° |
| C12 | C11 | C10 | H4 | 145.0° | 150.3° |
| C12 | C11 | C10 | H5 | 24.6° | 30.3° |
| C11 | C12 | C13 | H9 | 179.5° | 179.9° |
| C12 | C11 | C16 | H11 | 179.9° | 179.8° |
| C15 | C16 | C11 | H11 | 180.0° | 179.8° |
| C15 | C16 | C11 | C10 | 179.2° | 179.7° |
| C16 | C11 | C10 | H4 | 35.8° | 30.1° |
| C16 | C11 | C10 | H5 | 156.1° | 150.1° |
| C16 | C11 | C12 | H8 | 179.5° | 179.9° |
| C11 | C16 | C15 | H10 | 179.0° | 180.0° |
| C11 | C10 | N1 | H1 | 180.0° | 180.0° |
| C11 | C10 | N1 | H2 | 60.0° | 56.0° |
| C11 | C10 | H4 | H5 | 120.5° | 120.0° |
| C10 | C11 | C12 | H8 | 0.1° | 0.3° |
| C10 | C11 | C16 | H11 | 0.8° | 0.1° |
| H1 | N1 | C10 | H4 | 60.2° | 60.0° |
| H1 | N1 | C10 | H5 | 60.2° | 60.0° |
| H2 | N1 | C10 | H4 | 59.8° | 64.0° |
| H2 | N1 | C10 | H5 | 179.8° | 176.1° |
| H8 | C12 | C13 | H9 | 0.5° | 0.1° |
| H10 | C15 | C16 | H11 | 1.0° | 0.2° |
