KMP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.42Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.41Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.10Å | |
| C2 | C3 | sing | 1.40Å | 1.48Å | Aromatic |
| C2 | O30 | sing | 1.36Å | 1.34Å | |
| C3 | C4 | doub | 1.41Å | 1.47Å | Aromatic |
| C3 | C9 | sing | 1.47Å | 1.49Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.38Å | Aromatic |
| C4 | O12 | sing | 1.35Å | 1.36Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | O29 | sing | 1.36Å | 1.33Å | |
| C9 | C10 | sing | 1.42Å | 1.47Å | Aromatic |
| C9 | O13 | doub | 1.22Å | 1.22Å | |
| C10 | C11 | doub | 1.36Å | 1.37Å | Aromatic |
| C10 | O27 | sing | 1.36Å | 1.34Å | |
| C11 | C14 | sing | 1.47Å | 1.52Å | Aromatic |
| C11 | O12 | sing | 1.34Å | 1.44Å | Aromatic |
| C14 | C15 | doub | 1.40Å | 1.40Å | Aromatic |
| C14 | C19 | sing | 1.40Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.10Å | |
| C16 | C17 | doub | 1.39Å | 1.41Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.10Å | |
| C17 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
| C17 | O24 | sing | 1.36Å | 1.31Å | |
| C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.10Å | |
| C19 | H19 | sing | 1.08Å | 1.10Å | |
| O24 | H24 | sing | 0.97Å | 0.95Å | |
| O27 | H27 | sing | 0.97Å | 0.95Å | |
| O29 | H29 | sing | 0.97Å | 0.95Å | |
| O30 | H30 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 119.1° | 120.1° |
| C2 | C1 | H1 | 120.5° | 119.9° |
| C1 | C2 | C3 | 118.5° | 119.5° |
| C1 | C2 | O30 | 122.3° | 120.2° |
| C6 | C1 | H1 | 120.5° | 120.0° |
| C1 | C6 | C5 | 122.4° | 120.7° |
| C1 | C6 | O29 | 122.5° | 119.7° |
| C3 | C2 | O30 | 119.1° | 120.2° |
| C2 | C3 | C4 | 119.8° | 120.2° |
| C2 | C3 | C9 | 123.2° | 121.3° |
| C2 | O30 | H30 | 119.1° | 106.8° |
| C4 | C3 | C9 | 117.0° | 118.5° |
| C3 | C4 | C5 | 118.1° | 119.4° |
| C3 | C4 | O12 | 120.0° | 119.8° |
| C3 | C9 | C10 | 119.2° | 117.4° |
| C3 | C9 | O13 | 116.1° | 121.3° |
| C5 | C4 | O12 | 121.9° | 120.8° |
| C4 | C5 | C6 | 122.1° | 120.0° |
| C4 | C5 | H5 | 119.0° | 120.0° |
| C4 | O12 | C11 | 123.9° | 122.3° |
| C6 | C5 | H5 | 118.9° | 120.0° |
| C5 | C6 | O29 | 115.1° | 119.6° |
| C6 | O29 | H29 | 122.5° | 106.8° |
| C10 | C9 | O13 | 124.7° | 121.3° |
| C9 | C10 | C11 | 120.4° | 119.5° |
| C9 | C10 | O27 | 117.9° | 120.3° |
| C11 | C10 | O27 | 121.6° | 120.2° |
| C10 | C11 | C14 | 126.6° | 118.7° |
| C10 | C11 | O12 | 119.4° | 122.5° |
| C10 | O27 | H27 | 117.9° | 106.8° |
| C14 | C11 | O12 | 112.1° | 118.8° |
| C11 | C14 | C15 | 117.5° | 120.1° |
| C11 | C14 | C19 | 122.7° | 120.1° |
| C15 | C14 | C19 | 119.8° | 119.7° |
| C14 | C15 | C16 | 123.2° | 119.9° |
| C14 | C15 | H15 | 118.4° | 120.0° |
| C14 | C19 | C18 | 118.2° | 119.9° |
| C14 | C19 | H19 | 120.9° | 120.1° |
| C16 | C15 | H15 | 118.4° | 120.0° |
| C15 | C16 | C17 | 116.1° | 120.1° |
| C15 | C16 | H16 | 122.0° | 119.9° |
| C17 | C16 | H16 | 121.9° | 120.0° |
| C16 | C17 | C18 | 121.6° | 120.2° |
| C16 | C17 | O24 | 119.4° | 119.9° |
| C18 | C17 | O24 | 119.0° | 119.9° |
| C17 | C18 | C19 | 121.1° | 120.1° |
| C17 | C18 | H18 | 119.5° | 119.9° |
| C17 | O24 | H24 | 119.4° | 106.8° |
| C19 | C18 | H18 | 119.5° | 120.0° |
| C18 | C19 | H19 | 120.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 180.0° |
| C1 | C2 | C3 | O30 | 177.6° | 180.0° |
| C1 | C2 | C3 | C4 | 3.3° | 0.1° |
| C1 | C2 | C3 | C9 | 179.8° | 180.0° |
| C2 | C1 | C6 | C5 | 1.5° | 0.0° |
| C2 | C1 | C6 | O29 | 179.6° | 180.0° |
| C1 | C2 | O30 | H30 | 2.5° | 90.0° |
| C6 | C1 | C2 | C3 | 3.0° | 0.0° |
| C6 | C1 | C2 | O30 | 179.5° | 180.0° |
| C1 | C6 | C5 | C4 | 0.2° | 0.0° |
| C1 | C6 | C5 | O29 | 179.0° | 180.0° |
| C1 | C6 | C5 | H5 | 179.8° | 180.0° |
| C1 | C6 | O29 | H29 | 180.0° | 90.0° |
| H1 | C1 | C2 | C3 | 177.0° | 180.0° |
| H1 | C1 | C2 | O30 | 0.5° | 0.0° |
| H1 | C1 | C6 | C5 | 178.5° | 180.0° |
| H1 | C1 | C6 | O29 | 0.4° | 0.0° |
| C2 | C3 | C4 | C9 | 177.1° | 179.9° |
| C2 | C3 | C4 | C5 | 2.0° | 0.1° |
| C2 | C3 | C4 | O12 | 179.5° | 179.8° |
| C2 | C3 | C9 | C10 | 178.4° | 180.0° |
| C2 | C3 | C9 | O13 | 0.7° | 0.0° |
| C3 | C2 | O30 | H30 | 180.0° | 90.0° |
| O30 | C2 | C3 | C4 | 179.1° | 180.0° |
| O30 | C2 | C3 | C9 | 2.2° | 0.0° |
| C3 | C4 | C5 | O12 | 178.4° | 179.6° |
| C3 | C4 | C5 | C6 | 0.5° | 0.1° |
| C3 | C4 | C5 | H5 | 179.6° | 179.9° |
| C4 | C3 | C9 | C10 | 1.4° | 0.1° |
| C4 | C3 | C9 | O13 | 177.7° | 179.9° |
| C3 | C4 | O12 | C11 | 3.1° | 0.5° |
| C9 | C3 | C4 | C5 | 179.1° | 180.0° |
| C9 | C3 | C4 | O12 | 2.4° | 0.3° |
| C3 | C9 | C10 | O13 | 179.1° | 180.0° |
| C3 | C9 | C10 | C11 | 1.1° | 0.0° |
| C3 | C9 | C10 | O27 | 177.6° | 180.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | O29 | 179.2° | 180.0° |
| C5 | C4 | O12 | C11 | 178.5° | 179.8° |
| O12 | C4 | C5 | C6 | 178.9° | 179.7° |
| O12 | C4 | C5 | H5 | 1.1° | 0.3° |
| C4 | O12 | C11 | C10 | 2.7° | 0.4° |
| C4 | O12 | C11 | C14 | 162.7° | 179.7° |
| C5 | C6 | O29 | H29 | 1.0° | 90.0° |
| H5 | C5 | C6 | O29 | 0.8° | 0.0° |
| C9 | C10 | C11 | O27 | 178.6° | 180.0° |
| C9 | C10 | C11 | C14 | 161.5° | 180.0° |
| C9 | C10 | C11 | O12 | 1.6° | 0.1° |
| C9 | C10 | O27 | H27 | 180.0° | 0.0° |
| O13 | C9 | C10 | C11 | 178.0° | 180.0° |
| O13 | C9 | C10 | O27 | 3.3° | 0.0° |
| C10 | C11 | C14 | O12 | 164.1° | 179.9° |
| C10 | C11 | C14 | C15 | 161.7° | 47.6° |
| C10 | C11 | C14 | C19 | 18.4° | 132.5° |
| C11 | C10 | O27 | H27 | 1.3° | 179.9° |
| O27 | C10 | C11 | C14 | 19.9° | 0.1° |
| O27 | C10 | C11 | O12 | 177.0° | 179.8° |
| C11 | C14 | C15 | C19 | 179.8° | 179.9° |
| C11 | C14 | C15 | C16 | 179.4° | 179.9° |
| C11 | C14 | C15 | H15 | 0.6° | 0.1° |
| C11 | C14 | C19 | C18 | 178.8° | 179.7° |
| C11 | C14 | C19 | H19 | 1.2° | 0.1° |
| O12 | C11 | C14 | C15 | 2.4° | 132.3° |
| O12 | C11 | C14 | C19 | 177.4° | 47.6° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.8° | 0.0° |
| C14 | C15 | C16 | H16 | 179.2° | 180.0° |
| C15 | C14 | C19 | C18 | 1.0° | 0.2° |
| C15 | C14 | C19 | H19 | 179.0° | 180.0° |
| C19 | C14 | C15 | C16 | 0.5° | 0.1° |
| C19 | C14 | C15 | H15 | 179.6° | 180.0° |
| C14 | C19 | C18 | C17 | 1.9° | 0.5° |
| C14 | C19 | C18 | H19 | 180.0° | 179.8° |
| C14 | C19 | C18 | H18 | 178.1° | 180.0° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 1.7° | 0.3° |
| C15 | C16 | C17 | O24 | 179.6° | 180.0° |
| H15 | C15 | C16 | C17 | 179.3° | 180.0° |
| H15 | C15 | C16 | H16 | 0.8° | 0.0° |
| C16 | C17 | C18 | O24 | 177.9° | 179.7° |
| C16 | C17 | C18 | C19 | 2.3° | 0.6° |
| C16 | C17 | C18 | H18 | 177.7° | 179.9° |
| C16 | C17 | O24 | H24 | 180.0° | 90.0° |
| H16 | C16 | C17 | C18 | 178.3° | 179.7° |
| H16 | C16 | C17 | O24 | 0.4° | 0.0° |
| C17 | C18 | C19 | H18 | 180.0° | 179.5° |
| C17 | C18 | C19 | H19 | 178.1° | 179.7° |
| C18 | C17 | O24 | H24 | 2.0° | 90.3° |
| O24 | C17 | C18 | C19 | 179.7° | 179.7° |
| O24 | C17 | C18 | H18 | 0.2° | 0.2° |
| H18 | C18 | C19 | H19 | 1.9° | 0.2° |
