MZF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C4 | sing | 1.34Å | 1.32Å | Aromatic |
| O2 | N1 | sing | 1.21Å | 1.40Å | Aromatic |
| C4 | N2 | doub | 1.31Å | 1.29Å | Aromatic |
| N1 | C3 | doub | 1.30Å | 1.30Å | Aromatic |
| N2 | C3 | sing | 1.34Å | 1.37Å | Aromatic |
| C3 | C2 | sing | 1.51Å | 1.49Å | |
| O1 | C1 | doub | 1.21Å | 1.22Å | |
| C1 | C | sing | 1.51Å | 1.52Å | |
| C1 | N | sing | 1.34Å | 1.37Å | |
| C2 | N | sing | 1.46Å | 1.46Å | |
| C | C6 | sing | 1.51Å | 1.50Å | |
| C | O | sing | 1.43Å | 1.42Å | |
| N | C5 | sing | 1.40Å | 1.40Å | |
| C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | BR | sing | 1.89Å | 1.90Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C10 | H3 | sing | 1.08Å | 1.08Å | |
| C | H4 | sing | 1.09Å | 1.10Å | |
| O | H5 | sing | 0.97Å | 0.95Å | |
| C9 | H6 | sing | 1.08Å | 1.08Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | O2 | N1 | 105.8° | 109.9° |
| O2 | C4 | N2 | 114.5° | 106.9° |
| O2 | C4 | H1 | 122.8° | 126.6° |
| O2 | N1 | C3 | 103.2° | 110.2° |
| C4 | N2 | C3 | 101.7° | 105.6° |
| N2 | C4 | H1 | 122.7° | 126.6° |
| N1 | C3 | N2 | 114.8° | 107.5° |
| N1 | C3 | C2 | 124.9° | 126.3° |
| N2 | C3 | C2 | 120.3° | 126.3° |
| C3 | C2 | N | 112.8° | 109.5° |
| C3 | C2 | H7 | 108.7° | 109.5° |
| C3 | C2 | H8 | 108.7° | 109.4° |
| O1 | C1 | C | 126.7° | 126.5° |
| O1 | C1 | N | 125.7° | 126.4° |
| C | C1 | N | 107.5° | 107.1° |
| C1 | C | C6 | 102.8° | 104.1° |
| C1 | C | O | 109.7° | 110.5° |
| C1 | C | H4 | 110.2° | 110.5° |
| C1 | N | C2 | 124.0° | 123.9° |
| C1 | N | C5 | 111.2° | 112.2° |
| C2 | N | C5 | 124.9° | 123.9° |
| N | C2 | H7 | 108.6° | 109.5° |
| N | C2 | H8 | 108.6° | 109.5° |
| C6 | C | O | 111.4° | 110.5° |
| C | C6 | C5 | 108.3° | 106.4° |
| C | C6 | C7 | 131.9° | 132.8° |
| C6 | C | H4 | 110.6° | 110.6° |
| O | C | H4 | 111.8° | 110.4° |
| C | O | H5 | 109.5° | 114.0° |
| N | C5 | C6 | 109.7° | 110.2° |
| N | C5 | C10 | 129.1° | 130.8° |
| C6 | C5 | C10 | 121.1° | 119.0° |
| C5 | C6 | C7 | 119.8° | 120.8° |
| C5 | C10 | C9 | 119.1° | 120.2° |
| C5 | C10 | H3 | 120.5° | 120.0° |
| C6 | C7 | C8 | 118.7° | 119.9° |
| C6 | C7 | H2 | 120.7° | 120.0° |
| C10 | C9 | C8 | 119.3° | 120.3° |
| C9 | C10 | H3 | 120.5° | 119.9° |
| C10 | C9 | H6 | 120.3° | 119.8° |
| C7 | C8 | C9 | 122.0° | 119.9° |
| C7 | C8 | BR | 118.9° | 120.1° |
| C8 | C7 | H2 | 120.7° | 120.1° |
| C9 | C8 | BR | 119.2° | 120.1° |
| C8 | C9 | H6 | 120.3° | 119.9° |
| H7 | C2 | H8 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C4 | N2 | H1 | 180.0° | 179.9° |
| C4 | O2 | N1 | C3 | 0.2° | 0.0° |
| O2 | C4 | N2 | C3 | 0.2° | 0.0° |
| N1 | O2 | C4 | N2 | 0.0° | 0.0° |
| O2 | N1 | C3 | N2 | 0.4° | 0.0° |
| O2 | N1 | C3 | C2 | 178.7° | 180.0° |
| N1 | O2 | C4 | H1 | 180.0° | 180.0° |
| C4 | N2 | C3 | N1 | 0.4° | 0.0° |
| C4 | N2 | C3 | C2 | 178.8° | 180.0° |
| N1 | C3 | N2 | C2 | 179.2° | 180.0° |
| N1 | C3 | C2 | N | 17.2° | 90.0° |
| N1 | C3 | C2 | H7 | 137.7° | 30.0° |
| N1 | C3 | C2 | H8 | 103.3° | 150.0° |
| N2 | C3 | C2 | N | 163.7° | 90.0° |
| C3 | N2 | C4 | H1 | 179.8° | 179.9° |
| N2 | C3 | C2 | H7 | 43.2° | 150.0° |
| N2 | C3 | C2 | H8 | 75.8° | 30.0° |
| C3 | C2 | N | C1 | 114.3° | 89.5° |
| C3 | C2 | N | H7 | 120.5° | 120.0° |
| C3 | C2 | N | H8 | 120.5° | 120.0° |
| C3 | C2 | N | C5 | 66.8° | 90.0° |
| C3 | C2 | H7 | H8 | 118.5° | 119.9° |
| O1 | C1 | C | N | 177.7° | 179.7° |
| O1 | C1 | N | C2 | 3.9° | 0.3° |
| O1 | C1 | C | C6 | 171.5° | 180.0° |
| O1 | C1 | C | O | 52.9° | 61.3° |
| O1 | C1 | N | C5 | 175.1° | 179.9° |
| O1 | C1 | C | H4 | 70.6° | 61.3° |
| C | C1 | N | C2 | 178.3° | 180.0° |
| C1 | C | C6 | O | 117.4° | 118.7° |
| C1 | C | C6 | H4 | 117.6° | 118.7° |
| C1 | C | O | H4 | 122.6° | 122.6° |
| C | C1 | N | C5 | 2.7° | 0.4° |
| C1 | C | C6 | C5 | 7.7° | 0.0° |
| C1 | C | C6 | C7 | 173.5° | 180.0° |
| C1 | C | O | H5 | 18.5° | 65.2° |
| C1 | N | C2 | C5 | 178.9° | 179.6° |
| N | C1 | C | C6 | 6.2° | 0.3° |
| N | C1 | C | O | 124.8° | 118.4° |
| C1 | N | C5 | C6 | 2.4° | 0.4° |
| C1 | N | C5 | C10 | 179.7° | 179.8° |
| N | C1 | C | H4 | 111.7° | 119.0° |
| C1 | N | C2 | H7 | 125.2° | 30.5° |
| C1 | N | C2 | H8 | 6.2° | 150.5° |
| C2 | N | C5 | C6 | 176.6° | 180.0° |
| C2 | N | C5 | C10 | 0.7° | 0.2° |
| N | C2 | H7 | H8 | 118.5° | 120.0° |
| C6 | C | O | H4 | 124.3° | 122.7° |
| C | C6 | C5 | N | 6.5° | 0.2° |
| C | C6 | C5 | C7 | 179.0° | 180.0° |
| C | C6 | C5 | C10 | 175.9° | 180.0° |
| C | C6 | C7 | C8 | 177.2° | 180.0° |
| C | C6 | C7 | H2 | 2.8° | 0.0° |
| C6 | C | O | H5 | 131.7° | 179.9° |
| O | C | C6 | C5 | 125.1° | 118.7° |
| O | C | C6 | C7 | 56.0° | 61.3° |
| N | C5 | C6 | C10 | 177.5° | 179.8° |
| N | C5 | C6 | C7 | 174.4° | 179.8° |
| N | C5 | C10 | C9 | 174.9° | 179.7° |
| N | C5 | C10 | H3 | 5.1° | 0.2° |
| C5 | N | C2 | H7 | 53.7° | 150.0° |
| C5 | N | C2 | H8 | 172.7° | 30.0° |
| C6 | C5 | C10 | C9 | 2.2° | 0.1° |
| C5 | C6 | C7 | C8 | 1.6° | 0.0° |
| C5 | C6 | C7 | H2 | 178.4° | 180.0° |
| C6 | C5 | C10 | H3 | 177.8° | 180.0° |
| C5 | C6 | C | H4 | 109.9° | 118.7° |
| C10 | C5 | C6 | C7 | 3.1° | 0.1° |
| C5 | C10 | C9 | H3 | 180.0° | 179.9° |
| C5 | C10 | C9 | C8 | 0.3° | 0.1° |
| C5 | C10 | C9 | H6 | 179.8° | 179.9° |
| C6 | C7 | C8 | H2 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.8° | 0.0° |
| C6 | C7 | C8 | BR | 177.8° | 180.0° |
| C7 | C6 | C | H4 | 68.9° | 61.3° |
| C10 | C9 | C8 | C7 | 1.8° | 0.1° |
| C10 | C9 | C8 | H6 | 180.0° | 180.0° |
| C10 | C9 | C8 | BR | 176.8° | 179.9° |
| C7 | C8 | C9 | BR | 178.6° | 180.0° |
| C7 | C8 | C9 | H6 | 178.2° | 180.0° |
| C9 | C8 | C7 | H2 | 179.2° | 180.0° |
| C8 | C9 | C10 | H3 | 179.7° | 180.0° |
| BR | C8 | C7 | H2 | 2.2° | 0.0° |
| BR | C8 | C9 | H6 | 3.2° | 0.0° |
| H3 | C10 | C9 | H6 | 0.3° | 0.0° |
| H4 | C | O | H5 | 104.1° | 57.4° |
