KM0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.51Å | 1.47Å | |
| C7 | O8 | sing | 1.43Å | 1.46Å | |
| O8 | C9 | sing | 1.36Å | 1.36Å | |
| C9 | C10 | doub | 1.37Å | 1.39Å | Aromatic |
| C9 | C14 | sing | 1.41Å | 1.37Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.36Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.41Å | 1.39Å | Aromatic |
| C12 | CL19 | sing | 1.74Å | 1.79Å | |
| C13 | C14 | doub | 1.42Å | 1.39Å | Aromatic |
| C13 | C18 | sing | 1.41Å | 1.38Å | Aromatic |
| C14 | N15 | sing | 1.34Å | 1.35Å | Aromatic |
| N15 | C16 | doub | 1.31Å | 1.33Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | C18 | doub | 1.37Å | 1.39Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 119.8° | 119.9° |
| C1 | C2 | C3 | 120.3° | 120.0° |
| C2 | C1 | H1 | 120.1° | 120.0° |
| C1 | C2 | H2 | 119.9° | 120.0° |
| C1 | C6 | C5 | 120.3° | 120.1° |
| C1 | C6 | C7 | 119.8° | 119.9° |
| C6 | C1 | H1 | 120.1° | 120.1° |
| C2 | C3 | C4 | 119.5° | 120.0° |
| C3 | C2 | H2 | 119.8° | 120.0° |
| C2 | C3 | H3 | 120.3° | 120.0° |
| C3 | C4 | C5 | 120.2° | 120.1° |
| C4 | C3 | H3 | 120.3° | 120.0° |
| C3 | C4 | H4 | 119.9° | 120.0° |
| C4 | C5 | C6 | 119.9° | 120.0° |
| C5 | C4 | H4 | 119.9° | 120.0° |
| C4 | C5 | H5 | 120.1° | 120.0° |
| C5 | C6 | C7 | 119.9° | 120.0° |
| C6 | C5 | H5 | 120.1° | 120.0° |
| C6 | C7 | O8 | 117.7° | 109.5° |
| C6 | C7 | H7 | 106.8° | 109.5° |
| C6 | C7 | H7A | 106.8° | 109.5° |
| C7 | O8 | C9 | 120.9° | 117.0° |
| O8 | C7 | H7 | 106.8° | 109.5° |
| O8 | C7 | H7A | 106.8° | 109.5° |
| O8 | C9 | C10 | 121.8° | 120.1° |
| O8 | C9 | C14 | 118.2° | 120.2° |
| C10 | C9 | C14 | 120.0° | 119.7° |
| C9 | C10 | C11 | 120.5° | 121.0° |
| C9 | C10 | H10 | 119.7° | 119.5° |
| C9 | C14 | C13 | 119.7° | 119.1° |
| C9 | C14 | N15 | 117.3° | 121.1° |
| C10 | C11 | C12 | 119.7° | 120.9° |
| C11 | C10 | H10 | 119.7° | 119.5° |
| C10 | C11 | H11 | 120.2° | 119.6° |
| C11 | C12 | C13 | 119.6° | 119.7° |
| C11 | C12 | CL19 | 118.0° | 120.1° |
| C12 | C11 | H11 | 120.1° | 119.5° |
| C13 | C12 | CL19 | 122.4° | 120.2° |
| C12 | C13 | C14 | 120.4° | 119.6° |
| C12 | C13 | C18 | 121.4° | 121.3° |
| C14 | C13 | C18 | 118.2° | 119.1° |
| C13 | C14 | N15 | 123.0° | 119.8° |
| C13 | C18 | C17 | 117.4° | 118.1° |
| C13 | C18 | H18 | 121.3° | 121.0° |
| C14 | N15 | C16 | 120.1° | 121.3° |
| N15 | C16 | C17 | 118.9° | 121.7° |
| N15 | C16 | H16 | 120.6° | 119.1° |
| C16 | C17 | C18 | 122.6° | 120.0° |
| C17 | C16 | H16 | 120.6° | 119.2° |
| C16 | C17 | H17 | 118.7° | 120.0° |
| C18 | C17 | H17 | 118.7° | 120.0° |
| C17 | C18 | H18 | 121.3° | 120.9° |
| H7 | C7 | H7A | 112.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 179.7° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.6° | 0.0° |
| C2 | C1 | C6 | C5 | 0.5° | 0.1° |
| C2 | C1 | C6 | C7 | 179.5° | 180.0° |
| C1 | C2 | C3 | H3 | 179.4° | 179.9° |
| C6 | C1 | C2 | C3 | 0.8° | 0.0° |
| C1 | C6 | C5 | C4 | 0.0° | 0.1° |
| C1 | C6 | C5 | C7 | 180.0° | 179.9° |
| C1 | C6 | C7 | O8 | 179.9° | 90.0° |
| C6 | C1 | C2 | H2 | 179.2° | 179.9° |
| C1 | C6 | C5 | H5 | 180.0° | 180.0° |
| C1 | C6 | C7 | H7 | 59.9° | 150.0° |
| C1 | C6 | C7 | H7A | 60.1° | 30.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.1° | 0.0° |
| C3 | C2 | C1 | H1 | 179.2° | 179.8° |
| C2 | C3 | C4 | H4 | 179.9° | 180.0° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.2° | 0.1° |
| C4 | C3 | C2 | H2 | 179.4° | 179.9° |
| C3 | C4 | C5 | H5 | 179.8° | 180.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 180.0° | 180.0° |
| C5 | C4 | C3 | H3 | 179.9° | 180.0° |
| C5 | C6 | C7 | O8 | 0.2° | 90.1° |
| C5 | C6 | C1 | H1 | 179.5° | 179.7° |
| C6 | C5 | C4 | H4 | 179.8° | 179.9° |
| C5 | C6 | C7 | H7 | 120.2° | 29.9° |
| C5 | C6 | C7 | H7A | 119.8° | 149.9° |
| C6 | C7 | O8 | H7 | 120.0° | 120.0° |
| C6 | C7 | O8 | H7A | 120.0° | 120.0° |
| C6 | C7 | O8 | C9 | 103.7° | 180.0° |
| C7 | C6 | C1 | H1 | 0.5° | 0.2° |
| C7 | C6 | C5 | H5 | 0.0° | 0.1° |
| C6 | C7 | H7 | H7A | 116.6° | 120.0° |
| C7 | O8 | C9 | C10 | 143.7° | 0.0° |
| C7 | O8 | C9 | C14 | 36.4° | 179.8° |
| O8 | C7 | H7 | H7A | 116.6° | 120.0° |
| O8 | C9 | C10 | C14 | 179.8° | 179.8° |
| O8 | C9 | C10 | C11 | 179.1° | 180.0° |
| O8 | C9 | C14 | C13 | 179.8° | 179.8° |
| O8 | C9 | C14 | N15 | 0.5° | 0.1° |
| C9 | O8 | C7 | H7 | 136.3° | 60.0° |
| C9 | O8 | C7 | H7A | 16.3° | 60.0° |
| O8 | C9 | C10 | H10 | 0.9° | 0.1° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 1.1° | 0.0° |
| C10 | C9 | C14 | C13 | 0.1° | 0.4° |
| C10 | C9 | C14 | N15 | 179.7° | 179.7° |
| C9 | C10 | C11 | H11 | 178.9° | 180.0° |
| C14 | C9 | C10 | C11 | 0.7° | 0.2° |
| C9 | C14 | C13 | C12 | 0.1° | 0.4° |
| C9 | C14 | C13 | N15 | 179.7° | 179.9° |
| C9 | C14 | C13 | C18 | 180.0° | 179.8° |
| C9 | C14 | N15 | C16 | 179.8° | 179.9° |
| C14 | C9 | C10 | H10 | 179.3° | 179.8° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.9° | 0.1° |
| C10 | C11 | C12 | CL19 | 179.4° | 180.0° |
| C11 | C12 | C13 | CL19 | 179.7° | 180.0° |
| C11 | C12 | C13 | C14 | 0.3° | 0.2° |
| C11 | C12 | C13 | C18 | 179.5° | 180.0° |
| C12 | C11 | C10 | H10 | 178.9° | 180.0° |
| C12 | C13 | C14 | C18 | 179.8° | 179.8° |
| C12 | C13 | C14 | N15 | 179.9° | 179.7° |
| C12 | C13 | C18 | C17 | 179.9° | 179.2° |
| C13 | C12 | C11 | H11 | 179.1° | 180.0° |
| C12 | C13 | C18 | H18 | 0.1° | 0.0° |
| CL19 | C12 | C13 | C14 | 180.0° | 179.8° |
| CL19 | C12 | C13 | C18 | 0.2° | 0.0° |
| CL19 | C12 | C11 | H11 | 0.6° | 0.0° |
| C13 | C14 | N15 | C16 | 0.1° | 0.2° |
| C14 | C13 | C18 | C17 | 0.3° | 0.7° |
| C14 | C13 | C18 | H18 | 179.7° | 179.8° |
| C18 | C13 | C14 | N15 | 0.3° | 0.1° |
| C13 | C18 | C17 | C16 | 0.0° | 0.9° |
| C13 | C18 | C17 | H18 | 180.0° | 179.2° |
| C13 | C18 | C17 | H17 | 180.0° | 179.7° |
| C14 | N15 | C16 | C17 | 0.2° | 0.0° |
| C14 | N15 | C16 | H16 | 179.8° | 180.0° |
| N15 | C16 | C17 | H16 | 180.0° | 179.9° |
| N15 | C16 | C17 | C18 | 0.2° | 0.6° |
| N15 | C16 | C17 | H17 | 179.7° | 180.0° |
| C16 | C17 | C18 | H17 | 180.0° | 179.4° |
| C16 | C17 | C18 | H18 | 180.0° | 180.0° |
| C18 | C17 | C16 | H16 | 179.8° | 179.4° |
| H1 | C1 | C2 | H2 | 0.8° | 0.3° |
| H2 | C2 | C3 | H3 | 0.6° | 0.0° |
| H3 | C3 | C4 | H4 | 0.1° | 0.0° |
| H4 | C4 | C5 | H5 | 0.2° | 0.0° |
| H10 | C10 | C11 | H11 | 1.1° | 0.0° |
| H16 | C16 | C17 | H17 | 0.2° | 0.0° |
| H17 | C17 | C18 | H18 | 0.0° | 0.6° |
