M7K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | N01 | doub | 1.32Å | 1.37Å | Aromatic |
| C10 | N01 | sing | 1.34Å | 1.38Å | Aromatic |
| C03 | C02 | sing | 1.40Å | 1.40Å | Aromatic |
| C02 | N02 | sing | 1.39Å | 1.35Å | |
| N02 | HN02 | sing | 0.97Å | 1.00Å | |
| N02 | HN0A | sing | 0.97Å | 1.00Å | |
| C04 | C03 | doub | 1.36Å | 1.41Å | Aromatic |
| C03 | H03 | sing | 1.08Å | 1.08Å | |
| C04 | C05 | sing | 1.41Å | 1.39Å | Aromatic |
| C04 | H04 | sing | 1.08Å | 1.08Å | |
| C06 | C05 | doub | 1.40Å | 1.39Å | Aromatic |
| C05 | C10 | sing | 1.42Å | 1.40Å | Aromatic |
| C06 | C07 | sing | 1.36Å | 1.39Å | Aromatic |
| C06 | H06 | sing | 1.08Å | 1.08Å | |
| C07 | C08 | doub | 1.39Å | 1.39Å | Aromatic |
| C07 | H07 | sing | 1.08Å | 1.08Å | |
| C08 | C09 | sing | 1.36Å | 1.41Å | Aromatic |
| C08 | C11 | sing | 1.51Å | 1.51Å | |
| C10 | C09 | doub | 1.41Å | 1.40Å | Aromatic |
| C09 | H09 | sing | 1.08Å | 1.08Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C12 | N13 | sing | 1.47Å | 1.45Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| N13 | C14 | sing | 1.47Å | 1.45Å | |
| N13 | HN13 | sing | 1.01Å | 1.00Å | |
| C14 | C21 | sing | 1.51Å | 1.51Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C22 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | C26 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| F27 | C23 | sing | 1.35Å | 1.34Å | |
| C23 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C26 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | N01 | C10 | 121.5° | 121.2° |
| N01 | C02 | C03 | 119.2° | 121.6° |
| N01 | C02 | N02 | 120.8° | 119.2° |
| N01 | C10 | C05 | 119.9° | 120.0° |
| N01 | C10 | C09 | 121.4° | 121.0° |
| C03 | C02 | N02 | 120.0° | 119.3° |
| C02 | C03 | C04 | 120.5° | 119.9° |
| C02 | C03 | H03 | 119.8° | 120.0° |
| C02 | N02 | HN02 | 109.5° | 120.0° |
| C02 | N02 | HN0A | 109.4° | 119.9° |
| HN02 | N02 | HN0A | 109.4° | 120.1° |
| C04 | C03 | H03 | 119.8° | 120.1° |
| C03 | C04 | C05 | 119.0° | 118.3° |
| C03 | C04 | H04 | 120.5° | 120.9° |
| C05 | C04 | H04 | 120.5° | 120.8° |
| C04 | C05 | C06 | 119.8° | 121.3° |
| C04 | C05 | C10 | 119.9° | 119.1° |
| C06 | C05 | C10 | 120.3° | 119.7° |
| C05 | C06 | C07 | 121.2° | 119.6° |
| C05 | C06 | H06 | 119.4° | 120.2° |
| C05 | C10 | C09 | 118.7° | 119.1° |
| C07 | C06 | H06 | 119.4° | 120.2° |
| C06 | C07 | C08 | 119.1° | 120.9° |
| C06 | C07 | H07 | 120.4° | 119.6° |
| C08 | C07 | H07 | 120.4° | 119.6° |
| C07 | C08 | C09 | 120.0° | 121.0° |
| C07 | C08 | C11 | 118.6° | 119.5° |
| C09 | C08 | C11 | 121.4° | 119.5° |
| C08 | C09 | C10 | 120.7° | 119.7° |
| C08 | C09 | H09 | 119.7° | 120.1° |
| C08 | C11 | C12 | 112.0° | 109.4° |
| C08 | C11 | H11 | 108.8° | 109.5° |
| C08 | C11 | H11A | 108.8° | 109.4° |
| C10 | C09 | H09 | 119.6° | 120.1° |
| C12 | C11 | H11 | 108.9° | 109.4° |
| C12 | C11 | H11A | 108.9° | 109.5° |
| C11 | C12 | N13 | 110.1° | 109.4° |
| C11 | C12 | H12 | 109.3° | 109.5° |
| C11 | C12 | H12A | 109.3° | 109.5° |
| H11 | C11 | H11A | 109.4° | 109.5° |
| N13 | C12 | H12 | 109.3° | 109.5° |
| N13 | C12 | H12A | 109.3° | 109.5° |
| C12 | N13 | C14 | 120.4° | 111.0° |
| C12 | N13 | HN13 | 106.6° | 111.0° |
| H12 | C12 | H12A | 109.5° | 109.5° |
| C14 | N13 | HN13 | 106.7° | 111.0° |
| N13 | C14 | C21 | 108.1° | 109.4° |
| N13 | C14 | H14 | 109.9° | 109.4° |
| N13 | C14 | H14A | 109.8° | 109.4° |
| C21 | C14 | H14 | 109.8° | 109.5° |
| C21 | C14 | H14A | 109.8° | 109.5° |
| C14 | C21 | C22 | 121.0° | 120.0° |
| C14 | C21 | C26 | 119.3° | 120.0° |
| H14 | C14 | H14A | 109.5° | 109.5° |
| C22 | C21 | C26 | 119.6° | 120.0° |
| C21 | C22 | C23 | 119.7° | 120.0° |
| C21 | C22 | H22 | 120.2° | 120.0° |
| C21 | C26 | C25 | 120.5° | 120.0° |
| C21 | C26 | H26 | 119.7° | 120.0° |
| C23 | C22 | H22 | 120.1° | 120.0° |
| C22 | C23 | F27 | 120.7° | 120.1° |
| C22 | C23 | C24 | 120.2° | 119.9° |
| F27 | C23 | C24 | 119.1° | 120.0° |
| C23 | C24 | C25 | 120.1° | 120.0° |
| C23 | C24 | H24 | 119.9° | 120.0° |
| C25 | C24 | H24 | 120.0° | 120.0° |
| C24 | C25 | C26 | 119.7° | 120.0° |
| C24 | C25 | H25 | 120.1° | 120.0° |
| C26 | C25 | H25 | 120.1° | 120.0° |
| C25 | C26 | H26 | 119.7° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N01 | C02 | C03 | N02 | 177.0° | 179.9° |
| N01 | C02 | N02 | HN02 | 0.0° | 0.0° |
| N01 | C02 | N02 | HN0A | 120.0° | 180.0° |
| N01 | C02 | C03 | C04 | 3.6° | 0.1° |
| N01 | C02 | C03 | H03 | 176.4° | 180.0° |
| C02 | N01 | C10 | C05 | 1.2° | 0.0° |
| C02 | N01 | C10 | C09 | 179.3° | 180.0° |
| C10 | N01 | C02 | C03 | 3.3° | 0.1° |
| C10 | N01 | C02 | N02 | 179.7° | 179.9° |
| N01 | C10 | C05 | C04 | 0.6° | 0.0° |
| N01 | C10 | C05 | C06 | 179.4° | 180.0° |
| N01 | C10 | C05 | C09 | 179.5° | 179.9° |
| N01 | C10 | C09 | C08 | 179.6° | 180.0° |
| N01 | C10 | C09 | H09 | 0.4° | 0.0° |
| C03 | C02 | N02 | HN02 | 176.9° | 179.9° |
| C03 | C02 | N02 | HN0A | 57.0° | 0.1° |
| C02 | C03 | C04 | H03 | 180.0° | 179.9° |
| C02 | C03 | C04 | C05 | 1.9° | 0.1° |
| C02 | C03 | C04 | H04 | 178.1° | 179.9° |
| C02 | N02 | HN02 | HN0A | 120.0° | 180.0° |
| N02 | C02 | C03 | C04 | 179.4° | 180.0° |
| N02 | C02 | C03 | H03 | 0.6° | 0.1° |
| C03 | C04 | C05 | H04 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 179.0° | 179.9° |
| C03 | C04 | C05 | C10 | 0.2° | 0.0° |
| H03 | C03 | C04 | C05 | 178.2° | 179.9° |
| H03 | C03 | C04 | H04 | 1.8° | 0.0° |
| C04 | C05 | C06 | C10 | 178.8° | 179.9° |
| C04 | C05 | C06 | C07 | 179.5° | 180.0° |
| C04 | C05 | C06 | H06 | 0.5° | 0.1° |
| C04 | C05 | C10 | C09 | 178.9° | 180.0° |
| H04 | C04 | C05 | C06 | 1.0° | 0.1° |
| H04 | C04 | C05 | C10 | 179.8° | 180.0° |
| C05 | C06 | C07 | H06 | 180.0° | 180.0° |
| C05 | C06 | C07 | C08 | 1.0° | 0.0° |
| C05 | C06 | C07 | H07 | 178.9° | 180.0° |
| C06 | C05 | C10 | C09 | 0.2° | 0.1° |
| C10 | C05 | C06 | C07 | 0.7° | 0.0° |
| C10 | C05 | C06 | H06 | 179.3° | 180.0° |
| C05 | C10 | C09 | C08 | 0.0° | 0.1° |
| C05 | C10 | C09 | H09 | 180.0° | 180.0° |
| C06 | C07 | C08 | H07 | 180.0° | 180.0° |
| C06 | C07 | C08 | C09 | 0.8° | 0.0° |
| C06 | C07 | C08 | C11 | 179.4° | 180.0° |
| H06 | C06 | C07 | C08 | 179.0° | 180.0° |
| H06 | C06 | C07 | H07 | 1.0° | 0.1° |
| C07 | C08 | C09 | C11 | 178.6° | 180.0° |
| C07 | C08 | C09 | C10 | 0.3° | 0.0° |
| C07 | C08 | C09 | H09 | 179.7° | 180.0° |
| C07 | C08 | C11 | C12 | 98.9° | 90.0° |
| C07 | C08 | C11 | H11 | 140.7° | 150.0° |
| C07 | C08 | C11 | H11A | 21.5° | 30.0° |
| H07 | C07 | C08 | C09 | 179.2° | 180.0° |
| H07 | C07 | C08 | C11 | 0.6° | 0.1° |
| C08 | C09 | C10 | H09 | 180.0° | 180.0° |
| C09 | C08 | C11 | C12 | 82.5° | 90.0° |
| C09 | C08 | C11 | H11 | 37.9° | 29.9° |
| C09 | C08 | C11 | H11A | 157.0° | 150.0° |
| C11 | C08 | C09 | C10 | 178.9° | 180.0° |
| C11 | C08 | C09 | H09 | 1.1° | 0.1° |
| C08 | C11 | C12 | H11 | 120.4° | 119.9° |
| C08 | C11 | C12 | H11A | 120.4° | 120.0° |
| C08 | C11 | H11 | H11A | 118.8° | 120.0° |
| C08 | C11 | C12 | N13 | 148.9° | 180.0° |
| C08 | C11 | C12 | H12 | 28.8° | 60.0° |
| C08 | C11 | C12 | H12A | 91.0° | 60.0° |
| C12 | C11 | H11 | H11A | 118.9° | 120.1° |
| C11 | C12 | N13 | H12 | 120.1° | 120.0° |
| C11 | C12 | N13 | H12A | 120.1° | 120.0° |
| C11 | C12 | H12 | H12A | 119.7° | 120.0° |
| C11 | C12 | N13 | C14 | 143.3° | 180.0° |
| C11 | C12 | N13 | HN13 | 21.7° | 56.1° |
| H11 | C11 | C12 | N13 | 90.7° | 60.1° |
| H11 | C11 | C12 | H12 | 149.2° | 180.0° |
| H11 | C11 | C12 | H12A | 29.4° | 59.9° |
| H11A | C11 | C12 | N13 | 28.5° | 60.0° |
| H11A | C11 | C12 | H12 | 91.6° | 59.9° |
| H11A | C11 | C12 | H12A | 148.6° | 180.0° |
| N13 | C12 | H12 | H12A | 119.7° | 120.0° |
| C12 | N13 | C14 | HN13 | 121.5° | 123.9° |
| C12 | N13 | C14 | C21 | 130.5° | 180.0° |
| C12 | N13 | C14 | H14 | 109.8° | 60.0° |
| C12 | N13 | C14 | H14A | 10.7° | 60.0° |
| H12 | C12 | N13 | C14 | 96.7° | 60.0° |
| H12 | C12 | N13 | HN13 | 141.8° | 176.0° |
| H12A | C12 | N13 | C14 | 23.2° | 60.0° |
| H12A | C12 | N13 | HN13 | 98.4° | 63.9° |
| N13 | C14 | C21 | H14 | 119.8° | 120.0° |
| N13 | C14 | C21 | H14A | 119.8° | 119.9° |
| N13 | C14 | H14 | H14A | 120.6° | 119.9° |
| N13 | C14 | C21 | C22 | 101.8° | 89.8° |
| N13 | C14 | C21 | C26 | 78.0° | 90.0° |
| HN13 | N13 | C14 | C21 | 8.9° | 56.1° |
| HN13 | N13 | C14 | H14 | 128.7° | 176.1° |
| HN13 | N13 | C14 | H14A | 110.9° | 63.9° |
| C21 | C14 | H14 | H14A | 120.6° | 120.1° |
| C14 | C21 | C22 | C26 | 179.8° | 179.8° |
| C14 | C21 | C22 | C23 | 180.0° | 180.0° |
| C14 | C21 | C22 | H22 | 0.0° | 0.1° |
| C14 | C21 | C26 | C25 | 179.8° | 179.7° |
| C14 | C21 | C26 | H26 | 0.2° | 0.1° |
| H14 | C14 | C21 | C22 | 18.0° | 150.3° |
| H14 | C14 | C21 | C26 | 162.2° | 29.9° |
| H14A | C14 | C21 | C22 | 138.4° | 30.1° |
| H14A | C14 | C21 | C26 | 41.8° | 150.0° |
| C21 | C22 | C23 | H22 | 180.0° | 180.0° |
| C21 | C22 | C23 | F27 | 179.7° | 180.0° |
| C21 | C22 | C23 | C24 | 0.2° | 0.1° |
| C22 | C21 | C26 | C25 | 0.4° | 0.5° |
| C22 | C21 | C26 | H26 | 179.6° | 179.7° |
| C26 | C21 | C22 | C23 | 0.2° | 0.2° |
| C26 | C21 | C22 | H22 | 179.8° | 179.8° |
| C21 | C26 | C25 | C24 | 0.5° | 0.5° |
| C21 | C26 | C25 | H26 | 180.0° | 179.8° |
| C21 | C26 | C25 | H25 | 179.5° | 179.7° |
| C22 | C23 | F27 | C24 | 179.9° | 180.0° |
| C22 | C23 | C24 | C25 | 0.3° | 0.0° |
| C22 | C23 | C24 | H24 | 179.7° | 179.9° |
| H22 | C22 | C23 | F27 | 0.3° | 0.0° |
| H22 | C22 | C23 | C24 | 179.8° | 180.0° |
| F27 | C23 | C24 | C25 | 179.6° | 180.0° |
| F27 | C23 | C24 | H24 | 0.4° | 0.0° |
| C23 | C24 | C25 | H24 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 0.5° | 0.2° |
| C23 | C24 | C25 | H25 | 179.5° | 180.0° |
| C24 | C25 | C26 | H25 | 180.0° | 179.8° |
| C24 | C25 | C26 | H26 | 179.5° | 179.7° |
| H24 | C24 | C25 | C26 | 179.5° | 179.8° |
| H24 | C24 | C25 | H25 | 0.4° | 0.0° |
| H25 | C25 | C26 | H26 | 0.5° | 0.1° |
