9MK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.51Å | 1.51Å | |
| C1 | C16 | doub | 1.36Å | 1.38Å | Aromatic |
| C1 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.40Å | 1.41Å | Aromatic |
| C2 | C3 | doub | 1.36Å | 1.36Å | Aromatic |
| C15 | C14 | sing | 1.41Å | 1.41Å | Aromatic |
| C15 | C4 | doub | 1.42Å | 1.41Å | Aromatic |
| C14 | C13 | doub | 1.37Å | 1.36Å | Aromatic |
| C3 | C4 | sing | 1.41Å | 1.41Å | Aromatic |
| O | C6 | doub | 1.22Å | 1.23Å | |
| C4 | N | sing | 1.33Å | 1.37Å | Aromatic |
| C13 | C5 | sing | 1.40Å | 1.39Å | Aromatic |
| N | C5 | doub | 1.32Å | 1.33Å | Aromatic |
| C5 | C6 | sing | 1.48Å | 1.50Å | |
| C6 | C7 | sing | 1.48Å | 1.49Å | |
| C7 | C12 | doub | 1.40Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.40Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | O1 | sing | 1.36Å | 1.36Å | |
| C11 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 1.37Å | Aromatic |
| C10 | F | sing | 1.35Å | 1.35Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C9 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C16 | H5 | sing | 1.08Å | 1.08Å | |
| C14 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| O1 | H9 | sing | 0.97Å | 0.95Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| C | H12 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | C16 | 121.1° | 119.6° |
| C | C1 | C2 | 120.4° | 119.5° |
| C1 | C | H10 | 109.5° | 109.5° |
| C1 | C | H11 | 109.4° | 109.5° |
| C1 | C | H12 | 109.5° | 109.5° |
| C16 | C1 | C2 | 118.4° | 120.9° |
| C1 | C16 | C15 | 121.8° | 119.6° |
| C1 | C16 | H5 | 119.1° | 120.1° |
| C1 | C2 | C3 | 121.6° | 121.1° |
| C1 | C2 | H1 | 119.2° | 119.4° |
| C16 | C15 | C14 | 123.7° | 121.3° |
| C16 | C15 | C4 | 118.6° | 119.6° |
| C15 | C16 | H5 | 119.1° | 120.2° |
| C2 | C3 | C4 | 120.7° | 119.7° |
| C3 | C2 | H1 | 119.2° | 119.4° |
| C2 | C3 | H4 | 119.6° | 120.2° |
| C14 | C15 | C4 | 117.7° | 119.1° |
| C15 | C14 | C13 | 120.0° | 118.3° |
| C15 | C14 | H6 | 120.0° | 120.9° |
| C15 | C4 | C3 | 118.7° | 119.0° |
| C15 | C4 | N | 121.9° | 120.0° |
| C14 | C13 | C5 | 118.7° | 119.8° |
| C13 | C14 | H6 | 120.0° | 120.8° |
| C14 | C13 | H7 | 120.7° | 120.1° |
| C3 | C4 | N | 119.4° | 121.0° |
| C4 | C3 | H4 | 119.6° | 120.1° |
| O | C6 | C5 | 119.7° | 120.0° |
| O | C6 | C7 | 119.3° | 120.0° |
| C4 | N | C5 | 117.6° | 121.3° |
| C13 | C5 | N | 124.1° | 121.5° |
| C13 | C5 | C6 | 119.6° | 119.2° |
| C5 | C13 | H7 | 120.7° | 120.1° |
| N | C5 | C6 | 116.3° | 119.3° |
| C5 | C6 | C7 | 120.9° | 120.0° |
| C6 | C7 | C12 | 118.7° | 120.1° |
| C6 | C7 | C8 | 121.5° | 120.1° |
| C12 | C7 | C8 | 119.8° | 119.8° |
| C7 | C12 | C11 | 120.4° | 119.8° |
| C7 | C12 | H8 | 119.8° | 120.1° |
| C7 | C8 | C9 | 120.5° | 119.9° |
| C7 | C8 | H3 | 119.7° | 120.0° |
| C12 | C11 | O1 | 122.0° | 119.9° |
| C12 | C11 | C10 | 118.0° | 120.1° |
| C11 | C12 | H8 | 119.8° | 120.1° |
| C8 | C9 | C10 | 118.7° | 120.2° |
| C8 | C9 | H2 | 120.6° | 119.9° |
| C9 | C8 | H3 | 119.7° | 120.0° |
| O1 | C11 | C10 | 119.9° | 120.0° |
| C11 | O1 | H9 | 109.5° | 114.0° |
| C11 | C10 | C9 | 122.5° | 120.2° |
| C11 | C10 | F | 118.6° | 119.9° |
| C9 | C10 | F | 118.9° | 119.9° |
| C10 | C9 | H2 | 120.7° | 119.9° |
| H10 | C | H11 | 109.5° | 109.4° |
| H10 | C | H12 | 109.5° | 109.5° |
| H11 | C | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | C16 | C2 | 179.4° | 179.6° |
| C | C1 | C16 | C15 | 178.8° | 179.7° |
| C | C1 | C2 | C3 | 179.6° | 179.7° |
| C | C1 | C2 | H1 | 0.4° | 0.4° |
| C | C1 | C16 | H5 | 1.2° | 0.3° |
| C1 | C | H10 | H11 | 120.0° | 120.0° |
| C1 | C | H10 | H12 | 120.0° | 120.0° |
| C1 | C | H11 | H12 | 120.0° | 120.0° |
| C1 | C16 | C15 | H5 | 180.0° | 180.0° |
| C16 | C1 | C2 | C3 | 0.2° | 0.1° |
| C1 | C16 | C15 | C14 | 178.3° | 180.0° |
| C1 | C16 | C15 | C4 | 1.2° | 0.1° |
| C16 | C1 | C2 | H1 | 179.8° | 180.0° |
| C16 | C1 | C | H10 | 89.7° | 90.0° |
| C16 | C1 | C | H11 | 150.3° | 150.1° |
| C16 | C1 | C | H12 | 30.3° | 30.0° |
| C2 | C1 | C16 | C15 | 0.6° | 0.1° |
| C1 | C2 | C3 | H1 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.4° | 0.1° |
| C1 | C2 | C3 | H4 | 179.6° | 179.9° |
| C2 | C1 | C16 | H5 | 179.4° | 179.9° |
| C2 | C1 | C | H10 | 89.7° | 89.7° |
| C2 | C1 | C | H11 | 30.3° | 30.3° |
| C2 | C1 | C | H12 | 150.3° | 150.3° |
| C16 | C15 | C14 | C4 | 179.5° | 179.9° |
| C16 | C15 | C14 | C13 | 179.8° | 180.0° |
| C16 | C15 | C4 | C3 | 1.0° | 0.0° |
| C16 | C15 | C4 | N | 179.1° | 179.9° |
| C16 | C15 | C14 | H6 | 0.3° | 0.1° |
| C2 | C3 | C4 | C15 | 0.2° | 0.0° |
| C2 | C3 | C4 | H4 | 180.0° | 180.0° |
| C2 | C3 | C4 | N | 179.8° | 180.0° |
| C15 | C14 | C13 | H6 | 180.0° | 180.0° |
| C14 | C15 | C4 | C3 | 178.5° | 179.9° |
| C14 | C15 | C4 | N | 1.4° | 0.0° |
| C15 | C14 | C13 | C5 | 0.1° | 0.1° |
| C14 | C15 | C16 | H5 | 1.7° | 0.1° |
| C15 | C14 | C13 | H7 | 179.9° | 180.0° |
| C4 | C15 | C14 | C13 | 0.7° | 0.1° |
| C15 | C4 | C3 | N | 179.9° | 180.0° |
| C15 | C4 | N | C5 | 1.2° | 0.0° |
| C15 | C4 | C3 | H4 | 179.7° | 179.9° |
| C4 | C15 | C16 | H5 | 178.8° | 180.0° |
| C4 | C15 | C14 | H6 | 179.2° | 180.0° |
| C14 | C13 | C5 | H7 | 180.0° | 180.0° |
| C14 | C13 | C5 | N | 0.4° | 0.1° |
| C14 | C13 | C5 | C6 | 179.6° | 180.0° |
| C3 | C4 | N | C5 | 178.8° | 180.0° |
| C4 | C3 | C2 | H1 | 179.6° | 179.9° |
| O | C6 | C5 | C13 | 66.9° | 7.2° |
| O | C6 | C5 | N | 112.4° | 172.9° |
| O | C6 | C5 | C7 | 179.6° | 179.9° |
| O | C6 | C7 | C12 | 18.7° | 174.5° |
| O | C6 | C7 | C8 | 161.5° | 5.7° |
| C4 | N | C5 | C13 | 0.3° | 0.0° |
| C4 | N | C5 | C6 | 179.0° | 180.0° |
| N | C4 | C3 | H4 | 0.2° | 0.1° |
| C13 | C5 | N | C6 | 179.3° | 179.9° |
| C13 | C5 | C6 | C7 | 113.5° | 172.8° |
| C5 | C13 | C14 | H6 | 179.9° | 180.0° |
| N | C5 | C6 | C7 | 67.2° | 7.2° |
| N | C5 | C13 | H7 | 179.6° | 180.0° |
| C5 | C6 | C7 | C12 | 160.9° | 5.5° |
| C5 | C6 | C7 | C8 | 18.9° | 174.4° |
| C6 | C5 | C13 | H7 | 0.4° | 0.0° |
| C6 | C7 | C12 | C8 | 179.8° | 179.9° |
| C6 | C7 | C12 | C11 | 180.0° | 179.8° |
| C6 | C7 | C8 | C9 | 179.7° | 180.0° |
| C6 | C7 | C8 | H3 | 0.3° | 0.1° |
| C6 | C7 | C12 | H8 | 0.0° | 0.1° |
| C7 | C12 | C11 | H8 | 180.0° | 179.7° |
| C12 | C7 | C8 | C9 | 0.1° | 0.1° |
| C7 | C12 | C11 | O1 | 177.8° | 179.9° |
| C7 | C12 | C11 | C10 | 0.2° | 0.5° |
| C12 | C7 | C8 | H3 | 179.9° | 180.0° |
| C8 | C7 | C12 | C11 | 0.2° | 0.3° |
| C7 | C8 | C9 | H3 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 0.2° | 0.0° |
| C7 | C8 | C9 | H2 | 179.8° | 179.7° |
| C8 | C7 | C12 | H8 | 179.8° | 180.0° |
| C12 | C11 | O1 | C10 | 177.6° | 179.5° |
| C12 | C11 | C10 | C9 | 0.1° | 0.5° |
| C12 | C11 | C10 | F | 179.8° | 179.4° |
| C12 | C11 | O1 | H9 | 180.0° | 90.0° |
| C8 | C9 | C10 | C11 | 0.2° | 0.2° |
| C8 | C9 | C10 | H2 | 180.0° | 179.7° |
| C8 | C9 | C10 | F | 179.6° | 179.7° |
| O1 | C11 | C10 | C9 | 177.7° | 180.0° |
| O1 | C11 | C10 | F | 2.5° | 0.1° |
| O1 | C11 | C12 | H8 | 2.1° | 0.3° |
| C11 | C10 | C9 | F | 179.8° | 179.9° |
| C11 | C10 | C9 | H2 | 179.8° | 179.9° |
| C10 | C11 | C12 | H8 | 179.7° | 179.8° |
| C10 | C11 | O1 | H9 | 2.4° | 89.5° |
| C10 | C9 | C8 | H3 | 179.7° | 180.0° |
| F | C10 | C9 | H2 | 0.4° | 0.0° |
| H1 | C2 | C3 | H4 | 0.3° | 0.0° |
| H2 | C9 | C8 | H3 | 0.2° | 0.3° |
| H6 | C14 | C13 | H7 | 0.1° | 0.0° |
| H10 | C | H11 | H12 | 120.0° | 120.0° |
