7MF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| BR1 | C1 | sing | 1.89Å | 1.89Å | |
| N1 | C17 | sing | 1.47Å | 1.49Å | |
| C15 | C13 | sing | 1.53Å | 1.53Å | |
| C15 | C17 | sing | 1.52Å | 1.53Å | |
| C13 | C6 | sing | 1.52Å | 1.51Å | |
| C17 | C16 | sing | 1.51Å | 1.58Å | |
| C1 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.39Å | 1.38Å | Aromatic |
| O2 | C16 | sing | 1.43Å | 1.39Å | |
| C6 | C5 | sing | 1.37Å | 1.40Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | O1 | sing | 1.43Å | 1.41Å | |
| C16 | C14 | sing | 1.53Å | 1.52Å | |
| C5 | C14 | sing | 1.51Å | 1.52Å | |
| C5 | C4 | doub | 1.39Å | 1.40Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | C7 | sing | 1.48Å | 1.49Å | |
| C7 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.36Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.37Å | Aromatic |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| O2 | H19 | sing | 0.97Å | 0.95Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| O1 | H18 | sing | 0.97Å | 0.95Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.08Å | 1.08Å | |
| C3 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | H7 | sing | 1.08Å | 1.08Å | |
| N1 | H3 | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| BR1 | C1 | C6 | 120.7° | 120.1° |
| BR1 | C1 | C2 | 117.0° | 120.1° |
| N1 | C17 | C15 | 107.4° | 108.5° |
| N1 | C17 | C16 | 107.6° | 108.5° |
| N1 | C17 | H17 | 110.0° | 108.2° |
| C17 | N1 | H3 | 109.5° | 109.5° |
| C17 | N1 | H2 | 109.5° | 109.5° |
| C17 | N1 | H1 | 109.5° | 109.4° |
| C13 | C15 | C17 | 113.0° | 110.9° |
| C15 | C13 | C6 | 112.8° | 108.4° |
| C13 | C15 | H15 | 108.6° | 109.1° |
| C13 | C15 | H16 | 108.6° | 109.2° |
| C15 | C13 | H12 | 108.6° | 109.6° |
| C15 | C13 | H11 | 108.6° | 109.6° |
| C15 | C17 | C16 | 113.6° | 114.5° |
| C17 | C15 | H15 | 108.6° | 109.2° |
| C17 | C15 | H16 | 108.6° | 109.3° |
| C15 | C17 | H17 | 109.4° | 108.5° |
| C13 | C6 | C1 | 122.6° | 119.4° |
| C13 | C6 | C5 | 120.0° | 120.1° |
| C6 | C13 | H12 | 108.6° | 109.7° |
| C6 | C13 | H11 | 108.6° | 109.7° |
| C17 | C16 | O2 | 105.9° | 109.2° |
| C17 | C16 | O1 | 107.3° | 109.2° |
| C17 | C16 | C14 | 115.2° | 110.9° |
| C16 | C17 | H17 | 108.7° | 108.5° |
| C6 | C1 | C2 | 122.3° | 119.8° |
| C1 | C6 | C5 | 117.5° | 120.4° |
| C1 | C2 | C3 | 119.7° | 120.2° |
| C1 | C2 | H4 | 120.1° | 119.9° |
| O2 | C16 | O1 | 107.0° | 109.2° |
| O2 | C16 | C14 | 111.5° | 109.2° |
| C16 | O2 | H19 | 109.5° | 114.0° |
| C6 | C5 | C14 | 117.5° | 120.2° |
| C6 | C5 | C4 | 121.0° | 120.2° |
| C2 | C3 | C4 | 120.2° | 119.9° |
| C3 | C2 | H4 | 120.1° | 119.9° |
| C2 | C3 | H5 | 119.9° | 120.0° |
| O1 | C16 | C14 | 109.6° | 109.1° |
| C16 | O1 | H18 | 109.5° | 114.0° |
| C16 | C14 | C5 | 118.7° | 108.5° |
| C16 | C14 | H14 | 107.1° | 109.7° |
| C16 | C14 | H13 | 107.1° | 109.6° |
| C14 | C5 | C4 | 121.5° | 119.5° |
| C5 | C14 | H14 | 107.1° | 109.6° |
| C5 | C14 | H13 | 107.1° | 109.8° |
| C5 | C4 | C3 | 119.3° | 119.4° |
| C5 | C4 | C7 | 122.9° | 120.3° |
| C3 | C4 | C7 | 117.8° | 120.3° |
| C4 | C3 | H5 | 119.9° | 120.1° |
| C4 | C7 | C12 | 120.5° | 120.2° |
| C4 | C7 | C8 | 121.5° | 120.1° |
| C12 | C7 | C8 | 117.9° | 119.7° |
| C7 | C12 | C11 | 121.1° | 119.9° |
| C7 | C12 | H10 | 119.5° | 120.1° |
| C7 | C8 | C9 | 120.5° | 119.9° |
| C7 | C8 | H6 | 119.8° | 120.1° |
| C12 | C11 | C10 | 120.2° | 120.1° |
| C12 | C11 | H9 | 119.9° | 120.0° |
| C11 | C12 | H10 | 119.4° | 120.0° |
| C8 | C9 | C10 | 120.5° | 120.1° |
| C9 | C8 | H6 | 119.8° | 120.0° |
| C8 | C9 | H7 | 119.7° | 120.0° |
| C11 | C10 | C9 | 119.7° | 120.2° |
| C11 | C10 | H8 | 120.1° | 119.9° |
| C10 | C11 | H9 | 119.9° | 119.9° |
| C9 | C10 | H8 | 120.2° | 119.9° |
| C10 | C9 | H7 | 119.7° | 119.9° |
| H15 | C15 | H16 | 109.4° | 109.2° |
| H12 | C13 | H11 | 109.4° | 109.9° |
| H14 | C14 | H13 | 109.4° | 109.6° |
| H3 | N1 | H2 | 109.5° | 109.5° |
| H3 | N1 | H1 | 109.4° | 109.4° |
| H2 | N1 | H1 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| BR1 | C1 | C6 | C13 | 3.6° | 0.1° |
| BR1 | C1 | C6 | C2 | 177.0° | 179.9° |
| BR1 | C1 | C6 | C5 | 175.1° | 180.0° |
| BR1 | C1 | C2 | C3 | 174.3° | 180.0° |
| BR1 | C1 | C2 | H4 | 5.7° | 0.1° |
| N1 | C17 | C15 | C13 | 179.3° | 170.6° |
| N1 | C17 | C15 | C16 | 118.9° | 121.3° |
| N1 | C17 | C15 | H17 | 119.4° | 117.4° |
| N1 | C17 | C16 | H17 | 119.1° | 117.4° |
| N1 | C17 | C16 | O2 | 50.4° | 69.0° |
| N1 | C17 | C16 | O1 | 63.6° | 50.3° |
| N1 | C17 | C16 | C14 | 174.0° | 170.6° |
| N1 | C17 | C15 | H15 | 60.1° | 69.1° |
| N1 | C17 | C15 | H16 | 58.8° | 50.2° |
| C17 | N1 | H3 | H2 | 120.0° | 120.1° |
| C17 | N1 | H3 | H1 | 120.0° | 119.9° |
| C17 | N1 | H2 | H1 | 120.0° | 120.0° |
| C13 | C15 | C17 | H15 | 120.5° | 120.3° |
| C13 | C15 | C17 | H16 | 120.5° | 120.4° |
| C15 | C13 | C6 | H12 | 120.5° | 119.6° |
| C15 | C13 | C6 | H11 | 120.5° | 119.6° |
| C13 | C15 | C17 | C16 | 61.8° | 68.1° |
| C15 | C13 | C6 | C1 | 110.8° | 109.4° |
| C15 | C13 | C6 | C5 | 70.5° | 70.7° |
| C13 | C15 | H15 | H16 | 118.4° | 119.2° |
| C15 | C13 | H12 | H11 | 118.5° | 120.5° |
| C13 | C15 | C17 | H17 | 59.9° | 53.2° |
| C17 | C15 | C13 | C6 | 88.1° | 85.6° |
| C15 | C17 | C16 | H17 | 122.1° | 121.3° |
| C15 | C17 | C16 | O2 | 68.4° | 52.3° |
| C15 | C17 | C16 | O1 | 177.6° | 171.6° |
| C15 | C17 | C16 | C14 | 55.2° | 68.1° |
| C17 | C15 | H15 | H16 | 118.4° | 119.4° |
| C17 | C15 | C13 | H12 | 32.4° | 34.1° |
| C17 | C15 | C13 | H11 | 151.4° | 154.8° |
| C15 | C17 | N1 | H3 | 180.0° | 59.9° |
| C15 | C17 | N1 | H2 | 60.0° | 180.0° |
| C15 | C17 | N1 | H1 | 60.0° | 60.0° |
| C13 | C6 | C1 | C5 | 178.7° | 179.9° |
| C13 | C6 | C1 | C2 | 179.4° | 180.0° |
| C13 | C6 | C5 | C14 | 1.4° | 0.0° |
| C13 | C6 | C5 | C4 | 177.6° | 180.0° |
| C6 | C13 | C15 | H15 | 32.4° | 34.8° |
| C6 | C13 | C15 | H16 | 151.4° | 154.0° |
| C6 | C13 | H12 | H11 | 118.5° | 120.6° |
| C17 | C16 | O2 | O1 | 114.2° | 119.3° |
| C17 | C16 | O2 | C14 | 126.0° | 121.4° |
| C17 | C16 | O1 | C14 | 125.8° | 121.4° |
| C17 | C16 | C14 | C5 | 77.2° | 85.5° |
| C17 | C16 | O2 | H19 | 180.0° | 173.7° |
| C16 | C17 | C15 | H15 | 58.7° | 52.2° |
| C16 | C17 | C15 | H16 | 177.7° | 171.6° |
| C17 | C16 | C14 | H14 | 161.5° | 154.8° |
| C17 | C16 | C14 | H13 | 44.2° | 34.3° |
| C17 | C16 | O1 | H18 | 180.0° | 179.3° |
| C16 | C17 | N1 | H3 | 57.3° | 175.2° |
| C16 | C17 | N1 | H2 | 62.7° | 55.1° |
| C16 | C17 | N1 | H1 | 177.3° | 65.0° |
| C6 | C1 | C2 | C3 | 2.8° | 0.1° |
| C1 | C6 | C5 | C14 | 179.8° | 179.9° |
| C1 | C6 | C5 | C4 | 1.2° | 0.1° |
| C1 | C6 | C13 | H12 | 128.7° | 131.0° |
| C1 | C6 | C13 | H11 | 9.7° | 10.2° |
| C6 | C1 | C2 | H4 | 177.1° | 180.0° |
| C2 | C1 | C6 | C5 | 1.9° | 0.1° |
| C1 | C2 | C3 | H4 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.6° | 0.0° |
| C1 | C2 | C3 | H5 | 179.4° | 180.0° |
| O2 | C16 | O1 | C14 | 121.0° | 119.3° |
| O2 | C16 | C14 | C5 | 43.5° | 34.8° |
| O2 | C16 | C14 | H14 | 77.8° | 84.8° |
| O2 | C16 | C14 | H13 | 164.8° | 154.7° |
| O2 | C16 | O1 | H18 | 66.7° | 60.0° |
| O2 | C16 | C17 | H17 | 169.5° | 173.6° |
| C6 | C5 | C14 | C16 | 65.8° | 70.7° |
| C6 | C5 | C14 | C4 | 179.0° | 180.0° |
| C6 | C5 | C4 | C3 | 3.3° | 0.0° |
| C6 | C5 | C4 | C7 | 177.1° | 179.9° |
| C5 | C6 | C13 | H12 | 50.0° | 48.9° |
| C5 | C6 | C13 | H11 | 169.0° | 169.6° |
| C6 | C5 | C14 | H14 | 172.9° | 169.5° |
| C6 | C5 | C14 | H13 | 55.5° | 49.0° |
| C2 | C3 | C4 | C5 | 2.4° | 0.0° |
| C2 | C3 | C4 | H5 | 180.0° | 180.0° |
| C2 | C3 | C4 | C7 | 178.0° | 180.0° |
| O1 | C16 | C14 | C5 | 161.7° | 154.1° |
| O1 | C16 | O2 | H19 | 65.8° | 54.3° |
| O1 | C16 | C14 | H14 | 40.4° | 34.4° |
| O1 | C16 | C14 | H13 | 77.0° | 86.0° |
| O1 | C16 | C17 | H17 | 55.5° | 67.1° |
| C16 | C14 | C5 | H14 | 121.3° | 119.7° |
| C16 | C14 | C5 | H13 | 121.3° | 119.8° |
| C16 | C14 | C5 | C4 | 115.2° | 109.3° |
| C14 | C16 | O2 | H19 | 54.0° | 64.9° |
| C16 | C14 | H14 | H13 | 115.8° | 120.5° |
| C14 | C16 | O1 | H18 | 54.3° | 59.3° |
| C14 | C16 | C17 | H17 | 66.9° | 53.2° |
| C14 | C5 | C4 | C3 | 177.8° | 180.0° |
| C14 | C5 | C4 | C7 | 1.9° | 0.1° |
| C5 | C14 | H14 | H13 | 115.8° | 120.6° |
| C5 | C4 | C3 | C7 | 179.7° | 179.9° |
| C5 | C4 | C7 | C12 | 131.4° | 123.2° |
| C5 | C4 | C7 | C8 | 52.3° | 56.9° |
| C4 | C5 | C14 | H14 | 6.1° | 10.5° |
| C4 | C5 | C14 | H13 | 123.4° | 131.0° |
| C5 | C4 | C3 | H5 | 177.6° | 180.0° |
| C3 | C4 | C7 | C12 | 48.2° | 56.8° |
| C3 | C4 | C7 | C8 | 128.1° | 123.1° |
| C4 | C3 | C2 | H4 | 179.4° | 180.0° |
| C4 | C7 | C12 | C8 | 176.4° | 179.9° |
| C4 | C7 | C12 | C11 | 178.4° | 179.9° |
| C4 | C7 | C8 | C9 | 179.6° | 179.7° |
| C4 | C7 | C12 | H10 | 1.6° | 0.1° |
| C7 | C4 | C3 | H5 | 2.0° | 0.0° |
| C4 | C7 | C8 | H6 | 0.4° | 0.1° |
| C7 | C12 | C11 | H10 | 180.0° | 180.0° |
| C12 | C7 | C8 | C9 | 3.2° | 0.2° |
| C7 | C12 | C11 | C10 | 1.9° | 0.1° |
| C7 | C12 | C11 | H9 | 178.1° | 179.9° |
| C12 | C7 | C8 | H6 | 176.8° | 180.0° |
| C8 | C7 | C12 | C11 | 2.0° | 0.0° |
| C7 | C8 | C9 | H6 | 180.0° | 179.8° |
| C7 | C8 | C9 | C10 | 0.7° | 0.6° |
| C8 | C7 | C12 | H10 | 178.0° | 180.0° |
| C7 | C8 | C9 | H7 | 179.3° | 180.0° |
| C12 | C11 | C10 | H9 | 180.0° | 179.9° |
| C12 | C11 | C10 | C9 | 4.5° | 0.4° |
| C12 | C11 | C10 | H8 | 175.5° | 180.0° |
| C8 | C9 | C10 | C11 | 3.3° | 0.6° |
| C8 | C9 | C10 | H7 | 180.0° | 179.4° |
| C8 | C9 | C10 | H8 | 176.7° | 179.7° |
| C11 | C10 | C9 | H8 | 180.0° | 179.6° |
| C10 | C11 | C12 | H10 | 178.2° | 180.0° |
| C11 | C10 | C9 | H7 | 176.7° | 180.0° |
| C9 | C10 | C11 | H9 | 175.4° | 179.7° |
| C10 | C9 | C8 | H6 | 179.3° | 179.6° |
| H8 | C10 | C11 | H9 | 4.6° | 0.1° |
| H8 | C10 | C9 | H7 | 3.3° | 0.3° |
| H9 | C11 | C12 | H10 | 1.9° | 0.1° |
| H15 | C15 | C13 | H12 | 152.9° | 154.4° |
| H15 | C15 | C13 | H11 | 88.1° | 84.9° |
| H15 | C15 | C17 | H17 | 179.5° | 173.5° |
| H16 | C15 | C13 | H12 | 88.1° | 86.3° |
| H16 | C15 | C13 | H11 | 30.9° | 34.3° |
| H16 | C15 | C17 | H17 | 60.6° | 67.2° |
| H17 | C17 | N1 | H3 | 61.0° | 57.6° |
| H17 | C17 | N1 | H2 | 179.0° | 62.4° |
| H17 | C17 | N1 | H1 | 59.0° | 177.5° |
| H4 | C2 | C3 | H5 | 0.6° | 0.1° |
| H6 | C8 | C9 | H7 | 0.7° | 0.2° |
| H3 | N1 | H2 | H1 | 119.9° | 119.9° |
