KOH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C10 | sing | 1.74Å | 1.72Å | |
| O13 | C14 | sing | 1.43Å | 1.39Å | |
| O13 | C12 | sing | 1.36Å | 1.38Å | |
| C14 | C15 | sing | 1.53Å | 1.50Å | |
| C10 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C8 | sing | 1.39Å | 1.38Å | Aromatic |
| C9 | C6 | doub | 1.40Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.51Å | 1.50Å | |
| O18 | C16 | doub | 1.21Å | 1.27Å | |
| C8 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | O17 | sing | 1.34Å | 1.27Å | |
| C6 | C7 | sing | 1.40Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.48Å | 1.49Å | |
| N4 | C5 | doub | 1.31Å | 1.33Å | Aromatic |
| N4 | C3 | sing | 1.34Å | 1.28Å | Aromatic |
| C5 | N1 | sing | 1.36Å | 1.39Å | Aromatic |
| C3 | C2 | doub | 1.35Å | 1.36Å | Aromatic |
| N1 | C2 | sing | 1.37Å | 1.39Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | H7 | sing | 1.08Å | 1.08Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| O17 | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C10 | C12 | 121.9° | 119.9° |
| CL1 | C10 | C9 | 117.7° | 120.0° |
| C14 | O13 | C12 | 118.0° | 117.0° |
| O13 | C14 | C15 | 118.8° | 109.5° |
| O13 | C14 | H8 | 107.1° | 109.5° |
| O13 | C14 | H9 | 107.1° | 109.4° |
| O13 | C12 | C10 | 120.8° | 119.9° |
| O13 | C12 | C8 | 119.8° | 119.9° |
| C14 | C15 | C16 | 120.0° | 109.4° |
| C15 | C14 | H8 | 107.1° | 109.5° |
| C15 | C14 | H9 | 107.1° | 109.5° |
| C14 | C15 | H10 | 106.8° | 109.4° |
| C14 | C15 | H11 | 106.8° | 109.4° |
| C12 | C10 | C9 | 120.4° | 120.1° |
| C10 | C12 | C8 | 119.4° | 120.2° |
| C10 | C9 | C6 | 119.9° | 119.9° |
| C10 | C9 | H7 | 120.0° | 120.0° |
| C12 | C8 | C7 | 120.3° | 120.1° |
| C12 | C8 | H6 | 119.9° | 120.0° |
| C9 | C6 | C7 | 120.2° | 119.8° |
| C9 | C6 | C5 | 117.4° | 120.1° |
| C6 | C9 | H7 | 120.0° | 120.1° |
| C15 | C16 | O18 | 120.1° | 120.1° |
| C15 | C16 | O17 | 120.1° | 120.0° |
| C16 | C15 | H10 | 106.8° | 109.5° |
| C16 | C15 | H11 | 106.8° | 109.5° |
| O18 | C16 | O17 | 119.7° | 120.0° |
| C8 | C7 | C6 | 119.8° | 120.0° |
| C8 | C7 | H5 | 120.1° | 120.0° |
| C7 | C8 | H6 | 119.8° | 120.0° |
| C16 | O17 | H12 | 109.5° | 117.0° |
| C7 | C6 | C5 | 122.3° | 120.1° |
| C6 | C7 | H5 | 120.1° | 120.0° |
| C6 | C5 | N4 | 124.5° | 125.8° |
| C6 | C5 | N1 | 122.9° | 125.8° |
| C5 | N4 | C3 | 107.8° | 109.2° |
| N4 | C5 | N1 | 112.6° | 108.3° |
| N4 | C3 | C2 | 109.0° | 108.4° |
| N4 | C3 | H3 | 125.5° | 125.8° |
| C5 | N1 | C2 | 100.0° | 107.0° |
| C5 | N1 | H1 | 130.0° | 126.5° |
| C3 | C2 | N1 | 110.6° | 107.0° |
| C3 | C2 | H2 | 124.7° | 126.5° |
| C2 | C3 | H3 | 125.5° | 125.8° |
| C2 | N1 | H1 | 130.0° | 126.5° |
| N1 | C2 | H2 | 124.7° | 126.5° |
| H8 | C14 | H9 | 109.5° | 109.5° |
| H10 | C15 | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C10 | C12 | O13 | 1.0° | 0.8° |
| CL1 | C10 | C12 | C9 | 179.4° | 179.2° |
| CL1 | C10 | C12 | C8 | 179.8° | 180.0° |
| CL1 | C10 | C9 | C6 | 179.4° | 179.7° |
| CL1 | C10 | C9 | H7 | 0.6° | 0.3° |
| O13 | C14 | C15 | H8 | 121.3° | 120.0° |
| O13 | C14 | C15 | H9 | 121.3° | 120.0° |
| C14 | O13 | C12 | C10 | 87.7° | 180.0° |
| C14 | O13 | C12 | C8 | 91.2° | 0.8° |
| O13 | C14 | C15 | C16 | 82.1° | 180.0° |
| O13 | C14 | H8 | H9 | 115.8° | 120.0° |
| O13 | C14 | C15 | H10 | 156.5° | 60.0° |
| O13 | C14 | C15 | H11 | 39.4° | 60.0° |
| C12 | O13 | C14 | C15 | 57.0° | 180.0° |
| O13 | C12 | C10 | C8 | 178.9° | 179.2° |
| O13 | C12 | C10 | C9 | 179.6° | 180.0° |
| O13 | C12 | C8 | C7 | 179.5° | 179.8° |
| O13 | C12 | C8 | H6 | 0.5° | 0.2° |
| C12 | O13 | C14 | H8 | 178.4° | 60.0° |
| C12 | O13 | C14 | H9 | 64.3° | 60.0° |
| C14 | C15 | C16 | H10 | 121.5° | 120.0° |
| C14 | C15 | C16 | H11 | 121.5° | 120.0° |
| C14 | C15 | C16 | O18 | 45.5° | 0.0° |
| C14 | C15 | C16 | O17 | 134.9° | 180.0° |
| C15 | C14 | H8 | H9 | 115.8° | 120.0° |
| C14 | C15 | H10 | H11 | 115.3° | 120.0° |
| C12 | C10 | C9 | C6 | 0.1° | 0.5° |
| C10 | C12 | C8 | C7 | 0.7° | 0.5° |
| C10 | C12 | C8 | H6 | 179.4° | 179.5° |
| C12 | C10 | C9 | H7 | 179.9° | 179.5° |
| C9 | C10 | C12 | C8 | 0.8° | 0.8° |
| C10 | C9 | C6 | H7 | 180.0° | 179.9° |
| C10 | C9 | C6 | C7 | 1.1° | 0.1° |
| C10 | C9 | C6 | C5 | 179.0° | 179.8° |
| C12 | C8 | C7 | H6 | 180.0° | 180.0° |
| C12 | C8 | C7 | C6 | 0.3° | 0.0° |
| C12 | C8 | C7 | H5 | 179.7° | 180.0° |
| C9 | C6 | C7 | C8 | 1.2° | 0.2° |
| C9 | C6 | C7 | C5 | 177.8° | 179.8° |
| C9 | C6 | C5 | N4 | 66.4° | 179.7° |
| C9 | C6 | C5 | N1 | 110.7° | 0.8° |
| C9 | C6 | C7 | H5 | 178.8° | 179.8° |
| C15 | C16 | O18 | O17 | 179.5° | 180.0° |
| C16 | C15 | C14 | H8 | 39.3° | 60.0° |
| C16 | C15 | C14 | H9 | 156.6° | 60.0° |
| C16 | C15 | H10 | H11 | 115.3° | 120.1° |
| C15 | C16 | O17 | H12 | 179.5° | 180.0° |
| O18 | C16 | C15 | H10 | 167.0° | 120.0° |
| O18 | C16 | C15 | H11 | 76.0° | 119.9° |
| O18 | C16 | O17 | H12 | 0.0° | 0.0° |
| C8 | C7 | C6 | H5 | 180.0° | 179.9° |
| C8 | C7 | C6 | C5 | 179.0° | 180.0° |
| O17 | C16 | C15 | H10 | 13.5° | 60.1° |
| O17 | C16 | C15 | H11 | 103.6° | 60.0° |
| C7 | C6 | C5 | N4 | 115.8° | 0.1° |
| C7 | C6 | C5 | N1 | 67.2° | 179.4° |
| C6 | C7 | C8 | H6 | 179.7° | 179.9° |
| C7 | C6 | C9 | H7 | 178.9° | 180.0° |
| C6 | C5 | N4 | N1 | 177.3° | 179.6° |
| C6 | C5 | N4 | C3 | 178.5° | 180.0° |
| C6 | C5 | N1 | C2 | 178.3° | 180.0° |
| C6 | C5 | N1 | H1 | 1.7° | 0.3° |
| C5 | C6 | C7 | H5 | 1.0° | 0.1° |
| C5 | C6 | C9 | H7 | 1.0° | 0.2° |
| C5 | N4 | C3 | C2 | 0.9° | 0.3° |
| N4 | C5 | N1 | C2 | 0.9° | 0.5° |
| N4 | C5 | N1 | H1 | 179.1° | 179.8° |
| C5 | N4 | C3 | H3 | 179.1° | 179.8° |
| C3 | N4 | C5 | N1 | 1.2° | 0.5° |
| N4 | C3 | C2 | H3 | 180.0° | 180.0° |
| N4 | C3 | C2 | N1 | 0.3° | 0.0° |
| N4 | C3 | C2 | H2 | 179.7° | 179.9° |
| C5 | N1 | C2 | C3 | 0.4° | 0.3° |
| C5 | N1 | C2 | H1 | 180.0° | 179.7° |
| C5 | N1 | C2 | H2 | 179.6° | 179.8° |
| C3 | C2 | N1 | H2 | 180.0° | 179.9° |
| C3 | C2 | N1 | H1 | 179.6° | 180.0° |
| N1 | C2 | C3 | H3 | 179.7° | 179.9° |
| H1 | N1 | C2 | H2 | 0.4° | 0.1° |
| H2 | C2 | C3 | H3 | 0.3° | 0.0° |
| H5 | C7 | C8 | H6 | 0.3° | 0.0° |
| H8 | C14 | C15 | H10 | 82.2° | 180.0° |
| H8 | C14 | C15 | H11 | 160.8° | 60.0° |
| H9 | C14 | C15 | H10 | 35.2° | 60.0° |
| H9 | C14 | C15 | H11 | 81.9° | 180.0° |
