8MF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | O17 | sing | 1.44Å | 1.41Å | |
| C18 | O19 | sing | 1.44Å | 1.40Å | |
| O17 | C14 | sing | 1.36Å | 1.41Å | |
| C14 | C13 | doub | 1.39Å | 1.41Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.36Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| O19 | C15 | sing | 1.37Å | 1.42Å | |
| C15 | C16 | doub | 1.39Å | 1.41Å | Aromatic |
| C12 | BR1 | sing | 1.89Å | 1.93Å | |
| C12 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.51Å | 1.50Å | |
| C10 | N07 | sing | 1.47Å | 1.45Å | |
| N07 | C05 | sing | 1.36Å | 1.38Å | Aromatic |
| N07 | N08 | sing | 1.40Å | 1.30Å | Aromatic |
| N04 | C05 | doub | 1.33Å | 1.37Å | Aromatic |
| N04 | C03 | sing | 1.32Å | 1.34Å | Aromatic |
| C05 | C06 | sing | 1.41Å | 1.41Å | Aromatic |
| N08 | C09 | doub | 1.30Å | 1.34Å | Aromatic |
| N21 | C03 | sing | 1.38Å | 1.41Å | |
| C03 | N02 | doub | 1.33Å | 1.35Å | Aromatic |
| C09 | C06 | sing | 1.46Å | 1.47Å | Aromatic |
| C06 | C01 | doub | 1.40Å | 1.45Å | Aromatic |
| N02 | C01 | sing | 1.32Å | 1.36Å | Aromatic |
| C01 | CL1 | sing | 1.74Å | 1.73Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.08Å | 1.08Å | |
| C09 | H4 | sing | 1.08Å | 1.08Å | |
| C16 | H5 | sing | 1.08Å | 1.08Å | |
| C18 | H6 | sing | 1.09Å | 1.10Å | |
| C18 | H7 | sing | 1.09Å | 1.10Å | |
| N21 | H8 | sing | 0.97Å | 1.00Å | |
| N21 | H9 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O17 | C18 | O19 | 106.9° | 103.8° |
| C18 | O17 | C14 | 106.3° | 105.4° |
| O17 | C18 | H6 | 110.1° | 110.6° |
| O17 | C18 | H7 | 110.1° | 110.5° |
| C18 | O19 | C15 | 106.2° | 105.5° |
| O19 | C18 | H6 | 110.1° | 110.6° |
| O19 | C18 | H7 | 110.1° | 110.6° |
| O17 | C14 | C13 | 131.3° | 131.5° |
| O17 | C14 | C15 | 108.5° | 108.7° |
| C13 | C14 | C15 | 120.2° | 119.8° |
| C14 | C13 | C12 | 120.0° | 120.0° |
| C14 | C13 | H3 | 120.0° | 119.9° |
| C14 | C15 | O19 | 108.1° | 108.6° |
| C14 | C15 | C16 | 119.9° | 119.8° |
| C13 | C12 | BR1 | 118.8° | 119.9° |
| C13 | C12 | C11 | 119.7° | 120.1° |
| C12 | C13 | H3 | 120.0° | 120.0° |
| O19 | C15 | C16 | 132.0° | 131.5° |
| C15 | C16 | C11 | 120.1° | 120.0° |
| C15 | C16 | H5 | 119.9° | 120.0° |
| BR1 | C12 | C11 | 121.4° | 119.9° |
| C12 | C11 | C16 | 120.0° | 120.2° |
| C12 | C11 | C10 | 121.5° | 119.9° |
| C16 | C11 | C10 | 118.5° | 119.9° |
| C11 | C16 | H5 | 120.0° | 120.0° |
| C11 | C10 | N07 | 108.0° | 109.5° |
| C11 | C10 | H1 | 109.9° | 109.4° |
| C11 | C10 | H2 | 109.8° | 109.5° |
| C10 | N07 | C05 | 123.4° | 125.4° |
| C10 | N07 | N08 | 125.9° | 125.4° |
| N07 | C10 | H1 | 109.8° | 109.4° |
| N07 | C10 | H2 | 109.9° | 109.5° |
| C05 | N07 | N08 | 110.7° | 109.3° |
| N07 | C05 | N04 | 133.6° | 134.6° |
| N07 | C05 | C06 | 106.9° | 106.7° |
| N07 | N08 | C09 | 111.1° | 110.1° |
| C05 | N04 | C03 | 121.3° | 120.4° |
| N04 | C05 | C06 | 119.5° | 118.7° |
| N04 | C03 | N21 | 117.2° | 118.7° |
| N04 | C03 | N02 | 121.3° | 122.5° |
| C05 | C06 | C09 | 104.7° | 106.4° |
| C05 | C06 | C01 | 117.8° | 118.7° |
| N08 | C09 | C06 | 106.5° | 107.6° |
| N08 | C09 | H4 | 126.7° | 126.2° |
| N21 | C03 | N02 | 121.5° | 118.8° |
| C03 | N21 | H8 | 109.5° | 120.0° |
| C03 | N21 | H9 | 109.4° | 120.0° |
| C03 | N02 | C01 | 121.6° | 121.1° |
| C09 | C06 | C01 | 137.5° | 134.9° |
| C06 | C09 | H4 | 126.7° | 126.2° |
| C06 | C01 | N02 | 118.5° | 118.5° |
| C06 | C01 | CL1 | 119.0° | 120.8° |
| N02 | C01 | CL1 | 122.6° | 120.7° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H6 | C18 | H7 | 109.4° | 110.6° |
| H8 | N21 | H9 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O17 | C18 | O19 | H6 | 119.6° | 118.6° |
| O17 | C18 | O19 | H7 | 119.6° | 118.5° |
| C18 | O17 | C14 | C13 | 167.6° | 162.7° |
| C18 | O17 | C14 | C15 | 12.0° | 17.2° |
| O17 | C18 | O19 | C15 | 19.6° | 27.1° |
| O17 | C18 | H6 | H7 | 121.2° | 122.7° |
| O19 | C18 | O17 | C14 | 19.6° | 27.1° |
| C18 | O19 | C15 | C14 | 12.2° | 17.3° |
| C18 | O19 | C15 | C16 | 167.5° | 162.7° |
| O19 | C18 | H6 | H7 | 121.2° | 122.9° |
| O17 | C14 | C13 | C15 | 179.6° | 179.9° |
| O17 | C14 | C13 | C12 | 179.7° | 180.0° |
| O17 | C14 | C15 | O19 | 0.1° | 0.0° |
| O17 | C14 | C15 | C16 | 179.7° | 180.0° |
| O17 | C14 | C13 | H3 | 0.3° | 0.2° |
| C14 | O17 | C18 | H6 | 139.2° | 91.5° |
| C14 | O17 | C18 | H7 | 100.0° | 145.7° |
| C14 | C13 | C12 | H3 | 180.0° | 179.8° |
| C13 | C14 | C15 | O19 | 179.8° | 179.9° |
| C13 | C14 | C15 | C16 | 0.0° | 0.1° |
| C14 | C13 | C12 | BR1 | 179.9° | 179.8° |
| C14 | C13 | C12 | C11 | 0.1° | 0.2° |
| C15 | C14 | C13 | C12 | 0.1° | 0.0° |
| C14 | C15 | O19 | C16 | 179.7° | 180.0° |
| C14 | C15 | C16 | C11 | 0.0° | 0.2° |
| C15 | C14 | C13 | H3 | 179.9° | 179.7° |
| C14 | C15 | C16 | H5 | 180.0° | 180.0° |
| C13 | C12 | BR1 | C11 | 180.0° | 180.0° |
| C13 | C12 | C11 | C16 | 0.1° | 0.5° |
| C13 | C12 | C11 | C10 | 179.7° | 180.0° |
| O19 | C15 | C16 | C11 | 179.7° | 179.8° |
| O19 | C15 | C16 | H5 | 0.3° | 0.0° |
| C15 | O19 | C18 | H6 | 139.2° | 91.5° |
| C15 | O19 | C18 | H7 | 100.0° | 145.7° |
| C15 | C16 | C11 | C12 | 0.1° | 0.4° |
| C15 | C16 | C11 | H5 | 180.0° | 179.8° |
| C15 | C16 | C11 | C10 | 179.6° | 180.0° |
| BR1 | C12 | C11 | C16 | 179.8° | 179.5° |
| BR1 | C12 | C11 | C10 | 0.3° | 0.0° |
| BR1 | C12 | C13 | H3 | 0.2° | 0.0° |
| C12 | C11 | C16 | C10 | 179.6° | 179.5° |
| C12 | C11 | C10 | N07 | 94.4° | 85.9° |
| C12 | C11 | C10 | H1 | 145.8° | 154.2° |
| C12 | C11 | C10 | H2 | 25.4° | 34.2° |
| C11 | C12 | C13 | H3 | 179.9° | 180.0° |
| C12 | C11 | C16 | H5 | 179.9° | 179.7° |
| C16 | C11 | C10 | N07 | 85.2° | 94.6° |
| C16 | C11 | C10 | H1 | 34.6° | 25.4° |
| C16 | C11 | C10 | H2 | 155.1° | 145.4° |
| C11 | C10 | N07 | H1 | 119.8° | 120.0° |
| C11 | C10 | N07 | H2 | 119.7° | 120.1° |
| C11 | C10 | N07 | C05 | 115.7° | 88.0° |
| C11 | C10 | N07 | N08 | 64.5° | 91.8° |
| C11 | C10 | H1 | H2 | 120.7° | 120.0° |
| C10 | C11 | C16 | H5 | 0.4° | 0.2° |
| C10 | N07 | C05 | N08 | 179.8° | 179.9° |
| C10 | N07 | C05 | N04 | 0.2° | 0.1° |
| C10 | N07 | C05 | C06 | 179.8° | 179.8° |
| C10 | N07 | N08 | C09 | 179.7° | 179.8° |
| N07 | C10 | H1 | H2 | 120.7° | 120.0° |
| N07 | C05 | N04 | C06 | 179.5° | 179.6° |
| N07 | C05 | N04 | C03 | 179.0° | 180.0° |
| C05 | N07 | N08 | C09 | 0.0° | 0.3° |
| N07 | C05 | C06 | C09 | 0.0° | 0.3° |
| N07 | C05 | C06 | C01 | 180.0° | 179.6° |
| C05 | N07 | C10 | H1 | 4.0° | 31.9° |
| C05 | N07 | C10 | H2 | 124.5° | 151.9° |
| N08 | N07 | C05 | N04 | 179.5° | 180.0° |
| N08 | N07 | C05 | C06 | 0.0° | 0.3° |
| N07 | N08 | C09 | C06 | 0.0° | 0.1° |
| N08 | N07 | C10 | H1 | 175.7° | 148.2° |
| N08 | N07 | C10 | H2 | 55.2° | 28.2° |
| N07 | N08 | C09 | H4 | 180.0° | 180.0° |
| C05 | N04 | C03 | N21 | 179.8° | 179.9° |
| C05 | N04 | C03 | N02 | 1.4° | 0.0° |
| N04 | C05 | C06 | C09 | 179.6° | 180.0° |
| N04 | C05 | C06 | C01 | 0.4° | 0.6° |
| C03 | N04 | C05 | C06 | 0.5° | 0.3° |
| N04 | C03 | N21 | N02 | 178.4° | 179.9° |
| N04 | C03 | N02 | C01 | 1.3° | 0.0° |
| N04 | C03 | N21 | H8 | 0.0° | 180.0° |
| N04 | C03 | N21 | H9 | 120.0° | 0.1° |
| C05 | C06 | C09 | N08 | 0.0° | 0.1° |
| C05 | C06 | C09 | C01 | 180.0° | 179.2° |
| C05 | C06 | C01 | N02 | 0.4° | 0.6° |
| C05 | C06 | C01 | CL1 | 180.0° | 179.7° |
| C05 | C06 | C09 | H4 | 180.0° | 179.8° |
| N08 | C09 | C06 | H4 | 180.0° | 179.9° |
| N08 | C09 | C06 | C01 | 180.0° | 179.3° |
| N21 | C03 | N02 | C01 | 179.7° | 179.9° |
| C03 | N21 | H8 | H9 | 120.0° | 179.9° |
| C03 | N02 | C01 | C06 | 0.4° | 0.4° |
| C03 | N02 | C01 | CL1 | 179.1° | 180.0° |
| N02 | C03 | N21 | H8 | 178.4° | 0.0° |
| N02 | C03 | N21 | H9 | 61.6° | 180.0° |
| C09 | C06 | C01 | N02 | 179.5° | 179.8° |
| C09 | C06 | C01 | CL1 | 0.0° | 0.6° |
| C06 | C01 | N02 | CL1 | 179.5° | 179.6° |
| C01 | C06 | C09 | H4 | 0.0° | 0.6° |
