M2F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1B | N1B | sing | 1.22Å | 1.39Å | |
| N1B | O2B | doub | 1.22Å | 1.39Å | |
| N1B | C6B | sing | 1.48Å | 1.39Å | |
| C6B | C1A | sing | 1.38Å | 1.39Å | Aromatic |
| C6B | C5B | doub | 1.39Å | 1.41Å | Aromatic |
| C1A | C2B | doub | 1.38Å | 1.40Å | Aromatic |
| C2B | N1C | sing | 1.48Å | 1.35Å | |
| C2B | C3B | sing | 1.38Å | 1.41Å | Aromatic |
| N1C | O3C | sing | 1.22Å | 1.42Å | |
| N1C | O2C | doub | 1.22Å | 1.43Å | |
| C3B | C4B | doub | 1.38Å | 1.40Å | Aromatic |
| C4B | C5B | sing | 1.39Å | 1.42Å | Aromatic |
| C5B | O1 | sing | 1.36Å | 1.38Å | |
| O1 | C1 | sing | 1.43Å | 1.44Å | |
| C1 | O5 | sing | 1.43Å | 1.42Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| O5 | C5 | sing | 1.43Å | 1.47Å | |
| C2 | F2 | sing | 1.40Å | 1.36Å | |
| C2 | C3 | sing | 1.53Å | 1.56Å | |
| C3 | O3 | sing | 1.43Å | 1.41Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C4 | O4 | sing | 1.43Å | 1.41Å | |
| C4 | C5 | sing | 1.53Å | 1.55Å | |
| C5 | C6 | sing | 1.53Å | 1.59Å | |
| C6 | O6 | sing | 1.43Å | 1.44Å | |
| C1A | H1A | sing | 1.08Å | 1.08Å | |
| C3B | H3B | sing | 1.08Å | 1.08Å | |
| C4B | H4B | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1B | N1B | O2B | 113.5° | 120.0° |
| O1B | N1B | C6B | 124.6° | 120.0° |
| O2B | N1B | C6B | 122.0° | 120.0° |
| N1B | C6B | C1A | 118.8° | 120.0° |
| N1B | C6B | C5B | 124.0° | 120.0° |
| C1A | C6B | C5B | 117.2° | 119.9° |
| C6B | C1A | C2B | 123.0° | 120.1° |
| C6B | C1A | H1A | 118.5° | 120.0° |
| C6B | C5B | C4B | 119.8° | 119.9° |
| C6B | C5B | O1 | 116.8° | 120.1° |
| C1A | C2B | N1C | 115.4° | 120.0° |
| C1A | C2B | C3B | 120.2° | 120.1° |
| C2B | C1A | H1A | 118.5° | 119.9° |
| N1C | C2B | C3B | 124.4° | 119.9° |
| C2B | N1C | O3C | 117.2° | 120.0° |
| C2B | N1C | O2C | 123.1° | 120.0° |
| C2B | C3B | C4B | 117.5° | 120.0° |
| C2B | C3B | H3B | 121.2° | 120.0° |
| O3C | N1C | O2C | 119.7° | 120.0° |
| C3B | C4B | C5B | 122.2° | 120.0° |
| C4B | C3B | H3B | 121.3° | 120.0° |
| C3B | C4B | H4B | 118.9° | 120.0° |
| C4B | C5B | O1 | 123.4° | 120.0° |
| C5B | C4B | H4B | 118.9° | 120.0° |
| C5B | O1 | C1 | 119.6° | 117.0° |
| O1 | C1 | O5 | 109.2° | 109.5° |
| O1 | C1 | C2 | 107.0° | 109.5° |
| O1 | C1 | H1 | 111.3° | 109.5° |
| O5 | C1 | C2 | 109.4° | 109.4° |
| C1 | O5 | C5 | 119.6° | 114.1° |
| O5 | C1 | H1 | 108.9° | 109.5° |
| C1 | C2 | F2 | 108.9° | 109.6° |
| C1 | C2 | C3 | 109.9° | 109.2° |
| C2 | C1 | H1 | 111.1° | 109.5° |
| C1 | C2 | H2 | 110.6° | 109.5° |
| O5 | C5 | C4 | 107.3° | 109.4° |
| O5 | C5 | C6 | 108.9° | 109.5° |
| O5 | C5 | H5 | 111.9° | 109.5° |
| F2 | C2 | C3 | 112.4° | 109.5° |
| F2 | C2 | H2 | 108.0° | 109.5° |
| C2 | C3 | O3 | 108.6° | 109.6° |
| C2 | C3 | C4 | 111.0° | 109.0° |
| C3 | C2 | H2 | 106.9° | 109.5° |
| C2 | C3 | H3 | 108.8° | 109.5° |
| O3 | C3 | C4 | 109.0° | 109.6° |
| O3 | C3 | H3 | 110.9° | 109.6° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C3 | C4 | O4 | 113.2° | 109.5° |
| C3 | C4 | C5 | 111.6° | 109.2° |
| C4 | C3 | H3 | 108.5° | 109.6° |
| C3 | C4 | H4 | 105.0° | 109.5° |
| O4 | C4 | C5 | 108.6° | 109.5° |
| O4 | C4 | H4 | 108.3° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C4 | C5 | C6 | 111.3° | 109.5° |
| C4 | C5 | H5 | 109.5° | 109.5° |
| C5 | C4 | H4 | 110.0° | 109.6° |
| C5 | C6 | O6 | 108.3° | 109.5° |
| C6 | C5 | H5 | 108.0° | 109.5° |
| C5 | C6 | H61 | 109.9° | 109.5° |
| C5 | C6 | H62 | 110.1° | 109.5° |
| O6 | C6 | H61 | 109.9° | 109.5° |
| O6 | C6 | H62 | 110.1° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| H61 | C6 | H62 | 108.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1B | N1B | O2B | C6B | 179.3° | 179.7° |
| O1B | N1B | C6B | C1A | 156.3° | 0.0° |
| O1B | N1B | C6B | C5B | 23.9° | 179.7° |
| O2B | N1B | C6B | C1A | 24.5° | 179.7° |
| O2B | N1B | C6B | C5B | 155.3° | 0.6° |
| N1B | C6B | C1A | C5B | 179.8° | 179.7° |
| N1B | C6B | C1A | C2B | 179.3° | 180.0° |
| N1B | C6B | C5B | C4B | 179.9° | 179.7° |
| N1B | C6B | C5B | O1 | 0.2° | 0.1° |
| N1B | C6B | C1A | H1A | 0.7° | 0.1° |
| C6B | C1A | C2B | H1A | 180.0° | 180.0° |
| C6B | C1A | C2B | N1C | 179.3° | 180.0° |
| C6B | C1A | C2B | C3B | 0.5° | 0.0° |
| C1A | C6B | C5B | C4B | 0.3° | 0.6° |
| C1A | C6B | C5B | O1 | 180.0° | 179.8° |
| C5B | C6B | C1A | C2B | 0.5° | 0.3° |
| C6B | C5B | C4B | C3B | 1.1° | 0.6° |
| C6B | C5B | C4B | O1 | 179.7° | 179.7° |
| C6B | C5B | O1 | C1 | 165.5° | 180.0° |
| C5B | C6B | C1A | H1A | 179.5° | 179.7° |
| C6B | C5B | C4B | H4B | 178.9° | 179.7° |
| C1A | C2B | N1C | C3B | 179.8° | 180.0° |
| C1A | C2B | N1C | O3C | 14.5° | 0.0° |
| C1A | C2B | N1C | O2C | 164.8° | 180.0° |
| C1A | C2B | C3B | C4B | 0.3° | 0.0° |
| C1A | C2B | C3B | H3B | 179.7° | 180.0° |
| C2B | N1C | O3C | O2C | 179.3° | 180.0° |
| N1C | C2B | C3B | C4B | 180.0° | 180.0° |
| N1C | C2B | C1A | H1A | 0.7° | 0.0° |
| N1C | C2B | C3B | H3B | 0.0° | 0.0° |
| C3B | C2B | N1C | O3C | 165.8° | 180.0° |
| C3B | C2B | N1C | O2C | 15.0° | 0.0° |
| C2B | C3B | C4B | H3B | 180.0° | 179.9° |
| C2B | C3B | C4B | C5B | 1.1° | 0.3° |
| C3B | C2B | C1A | H1A | 179.5° | 180.0° |
| C2B | C3B | C4B | H4B | 178.9° | 180.0° |
| C3B | C4B | C5B | H4B | 180.0° | 179.7° |
| C3B | C4B | C5B | O1 | 179.2° | 179.8° |
| C4B | C5B | O1 | C1 | 14.2° | 0.3° |
| C5B | C4B | C3B | H3B | 178.9° | 179.8° |
| C5B | O1 | C1 | O5 | 65.8° | 65.0° |
| C5B | O1 | C1 | C2 | 175.9° | 175.0° |
| O1 | C5B | C4B | H4B | 0.8° | 0.0° |
| C5B | O1 | C1 | H1 | 54.4° | 55.0° |
| O1 | C1 | O5 | C2 | 116.8° | 120.0° |
| O1 | C1 | O5 | H1 | 121.7° | 120.0° |
| O1 | C1 | C2 | H1 | 121.6° | 120.0° |
| O1 | C1 | O5 | C5 | 89.3° | 178.9° |
| O1 | C1 | C2 | F2 | 69.2° | 57.7° |
| O1 | C1 | C2 | C3 | 54.3° | 177.6° |
| O1 | C1 | C2 | H2 | 172.2° | 62.5° |
| O5 | C1 | C2 | H1 | 120.3° | 120.0° |
| O5 | C1 | C2 | F2 | 172.6° | 62.3° |
| O5 | C1 | C2 | C3 | 63.8° | 57.6° |
| C1 | O5 | C5 | C4 | 33.2° | 61.1° |
| C1 | O5 | C5 | C6 | 153.8° | 178.8° |
| O5 | C1 | C2 | H2 | 54.1° | 177.5° |
| C1 | O5 | C5 | H5 | 86.9° | 58.8° |
| C2 | C1 | O5 | C5 | 27.4° | 61.2° |
| C1 | C2 | F2 | C3 | 122.1° | 119.7° |
| C1 | C2 | F2 | H2 | 120.2° | 120.1° |
| C1 | C2 | C3 | H2 | 120.1° | 119.9° |
| C1 | C2 | C3 | O3 | 85.0° | 176.8° |
| C1 | C2 | C3 | C4 | 34.8° | 57.0° |
| C1 | C2 | C3 | H3 | 154.2° | 62.9° |
| O5 | C5 | C4 | C3 | 61.1° | 57.6° |
| O5 | C5 | C4 | O4 | 173.4° | 177.5° |
| O5 | C5 | C4 | C6 | 119.0° | 120.0° |
| O5 | C5 | C4 | H5 | 121.6° | 120.0° |
| O5 | C5 | C6 | H5 | 121.7° | 120.0° |
| O5 | C5 | C6 | O6 | 57.9° | 64.9° |
| C5 | O5 | C1 | H1 | 149.0° | 58.9° |
| O5 | C5 | C4 | H4 | 55.1° | 62.3° |
| O5 | C5 | C6 | H61 | 62.1° | 175.0° |
| O5 | C5 | C6 | H62 | 178.4° | 55.1° |
| F2 | C2 | C3 | H2 | 118.4° | 120.2° |
| F2 | C2 | C3 | O3 | 36.5° | 56.9° |
| F2 | C2 | C3 | C4 | 156.3° | 63.0° |
| F2 | C2 | C1 | H1 | 52.4° | 177.7° |
| F2 | C2 | C3 | H3 | 84.4° | 177.1° |
| C2 | C3 | O3 | C4 | 121.1° | 119.5° |
| C2 | C3 | O3 | H3 | 119.6° | 120.2° |
| C2 | C3 | C4 | H3 | 119.6° | 119.9° |
| C2 | C3 | C4 | O4 | 148.8° | 176.9° |
| C2 | C3 | C4 | C5 | 25.9° | 57.0° |
| C3 | C2 | C1 | H1 | 175.9° | 62.4° |
| C2 | C3 | O3 | HO3 | 75.9° | 60.0° |
| C2 | C3 | C4 | H4 | 93.3° | 63.0° |
| O3 | C3 | C4 | H3 | 120.9° | 120.3° |
| O3 | C3 | C4 | O4 | 91.6° | 63.2° |
| O3 | C3 | C4 | C5 | 145.4° | 176.8° |
| O3 | C3 | C2 | H2 | 154.9° | 63.3° |
| O3 | C3 | C4 | H4 | 26.3° | 56.9° |
| C3 | C4 | O4 | C5 | 124.6° | 119.7° |
| C3 | C4 | O4 | H4 | 116.0° | 120.1° |
| C3 | C4 | C5 | H4 | 116.2° | 119.9° |
| C3 | C4 | C5 | C6 | 179.9° | 177.6° |
| C4 | C3 | C2 | H2 | 85.3° | 176.9° |
| C3 | C4 | C5 | H5 | 60.6° | 62.4° |
| C4 | C3 | O3 | HO3 | 45.2° | 179.5° |
| C3 | C4 | O4 | HO4 | 171.9° | 60.0° |
| O4 | C4 | C5 | H4 | 118.3° | 120.2° |
| O4 | C4 | C5 | C6 | 54.3° | 62.5° |
| O4 | C4 | C5 | H5 | 65.0° | 57.5° |
| O4 | C4 | C3 | H3 | 29.2° | 57.0° |
| C4 | C5 | C6 | H5 | 120.2° | 120.0° |
| C4 | C5 | C6 | O6 | 60.1° | 175.1° |
| C5 | C4 | C3 | H3 | 93.7° | 62.9° |
| C5 | C4 | O4 | HO4 | 63.5° | 179.7° |
| C4 | C5 | C6 | H61 | 179.8° | 55.0° |
| C4 | C5 | C6 | H62 | 60.3° | 64.9° |
| C5 | C6 | O6 | H61 | 120.0° | 120.1° |
| C5 | C6 | O6 | H62 | 120.5° | 120.0° |
| C6 | C5 | C4 | H4 | 64.0° | 57.7° |
| C5 | C6 | H61 | H62 | 120.5° | 120.0° |
| C5 | C6 | O6 | HO6 | 138.1° | 180.0° |
| O6 | C6 | C5 | H5 | 179.6° | 55.1° |
| O6 | C6 | H61 | H62 | 120.5° | 120.0° |
| H3B | C3B | C4B | H4B | 1.1° | 0.0° |
| H1 | C1 | C2 | H2 | 66.2° | 57.5° |
| H2 | C2 | C3 | H3 | 34.0° | 57.0° |
| H5 | C5 | C4 | H4 | 176.7° | 177.7° |
| H5 | C5 | C6 | H61 | 59.6° | 65.0° |
| H5 | C5 | C6 | H62 | 59.9° | 175.1° |
| H3 | C3 | O3 | HO3 | 164.6° | 60.2° |
| H3 | C3 | C4 | H4 | 147.2° | 177.1° |
| H4 | C4 | O4 | HO4 | 55.9° | 60.0° |
| H61 | C6 | O6 | HO6 | 18.1° | 59.9° |
| H62 | C6 | O6 | HO6 | 101.4° | 60.0° |
