A1BFH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C2 | O1 | doub | 1.21Å | 1.22Å | |
| C2 | N1 | sing | 1.35Å | 1.35Å | |
| N1 | C3 | sing | 1.40Å | 1.42Å | |
| C3 | C4 | doub | 1.39Å | 1.41Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.37Å | Aromatic |
| C5 | O2 | sing | 1.37Å | 1.37Å | |
| O2 | C6 | sing | 1.44Å | 1.43Å | |
| C6 | O3 | sing | 1.44Å | 1.43Å | |
| O3 | C7 | sing | 1.37Å | 1.38Å | |
| C7 | C8 | sing | 1.39Å | 1.37Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
| C9 | C10 | sing | 1.51Å | 1.50Å | |
| C3 | C9 | sing | 1.39Å | 1.40Å | Aromatic |
| C5 | C7 | doub | 1.39Å | 1.38Å | Aromatic |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | O1 | 121.8° | 120.0° |
| C1 | C2 | N1 | 115.0° | 120.0° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H1 | 109.4° | 109.4° |
| C2 | C1 | H3 | 109.4° | 109.5° |
| O1 | C2 | N1 | 123.2° | 120.0° |
| C2 | N1 | C3 | 128.2° | 120.0° |
| C2 | N1 | H4 | 115.9° | 120.0° |
| N1 | C3 | C4 | 121.6° | 120.0° |
| N1 | C3 | C9 | 117.8° | 120.0° |
| C3 | N1 | H4 | 115.9° | 120.0° |
| C3 | C4 | C5 | 117.5° | 120.0° |
| C4 | C3 | C9 | 120.6° | 120.0° |
| C3 | C4 | H5 | 121.3° | 120.0° |
| C4 | C5 | O2 | 128.5° | 131.4° |
| C4 | C5 | C7 | 122.0° | 119.9° |
| C5 | C4 | H5 | 121.3° | 120.1° |
| C5 | O2 | C6 | 104.5° | 105.4° |
| O2 | C5 | C7 | 109.5° | 108.7° |
| O2 | C6 | O3 | 108.2° | 103.8° |
| O2 | C6 | H6 | 109.8° | 110.6° |
| O2 | C6 | H7 | 109.8° | 110.6° |
| C6 | O3 | C7 | 103.9° | 105.5° |
| O3 | C6 | H6 | 109.8° | 110.6° |
| O3 | C6 | H7 | 109.8° | 110.6° |
| O3 | C7 | C8 | 128.2° | 131.4° |
| O3 | C7 | C5 | 110.2° | 108.6° |
| C7 | C8 | C9 | 118.3° | 120.1° |
| C8 | C7 | C5 | 121.6° | 120.0° |
| C7 | C8 | H8 | 120.8° | 120.0° |
| C8 | C9 | C10 | 118.9° | 120.0° |
| C8 | C9 | C3 | 120.1° | 120.1° |
| C9 | C8 | H8 | 120.9° | 119.9° |
| C10 | C9 | C3 | 121.0° | 120.0° |
| C9 | C10 | H9 | 109.5° | 109.5° |
| C9 | C10 | H11 | 109.4° | 109.4° |
| C9 | C10 | H10 | 109.5° | 109.5° |
| H6 | C6 | H7 | 109.5° | 110.5° |
| H9 | C10 | H11 | 109.5° | 109.5° |
| H9 | C10 | H10 | 109.5° | 109.5° |
| H11 | C10 | H10 | 109.5° | 109.5° |
| H2 | C1 | H1 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | O1 | N1 | 179.4° | 179.9° |
| C1 | C2 | N1 | C3 | 168.2° | 174.4° |
| C1 | C2 | N1 | H4 | 11.8° | 5.3° |
| C2 | C1 | H2 | H1 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.1° |
| C2 | C1 | H1 | H3 | 119.9° | 120.0° |
| O1 | C2 | N1 | C3 | 12.3° | 5.5° |
| O1 | C2 | N1 | H4 | 167.6° | 174.8° |
| O1 | C2 | C1 | H2 | 0.0° | 0.0° |
| O1 | C2 | C1 | H1 | 120.0° | 120.1° |
| O1 | C2 | C1 | H3 | 120.0° | 120.0° |
| C2 | N1 | C3 | H4 | 180.0° | 179.8° |
| C2 | N1 | C3 | C4 | 31.3° | 24.9° |
| C2 | N1 | C3 | C9 | 151.3° | 154.6° |
| N1 | C2 | C1 | H2 | 179.5° | 180.0° |
| N1 | C2 | C1 | H1 | 60.5° | 60.0° |
| N1 | C2 | C1 | H3 | 59.4° | 59.9° |
| N1 | C3 | C4 | C9 | 177.3° | 179.5° |
| N1 | C3 | C4 | C5 | 177.1° | 180.0° |
| N1 | C3 | C9 | C8 | 177.5° | 180.0° |
| N1 | C3 | C9 | C10 | 2.5° | 0.3° |
| N1 | C3 | C4 | H5 | 2.8° | 0.3° |
| C3 | C4 | C5 | H5 | 180.0° | 179.8° |
| C3 | C4 | C5 | O2 | 178.7° | 179.7° |
| C4 | C3 | C9 | C8 | 0.1° | 0.5° |
| C4 | C3 | C9 | C10 | 179.9° | 179.8° |
| C3 | C4 | C5 | C7 | 0.5° | 0.2° |
| C4 | C3 | N1 | H4 | 148.7° | 154.9° |
| C4 | C5 | O2 | C7 | 179.3° | 179.9° |
| C4 | C5 | O2 | C6 | 167.9° | 162.7° |
| C4 | C5 | C7 | O3 | 179.2° | 180.0° |
| C4 | C5 | C7 | C8 | 0.6° | 0.1° |
| C5 | C4 | C3 | C9 | 0.2° | 0.5° |
| C5 | O2 | C6 | O3 | 19.3° | 27.2° |
| O2 | C5 | C7 | O3 | 1.5° | 0.1° |
| O2 | C5 | C7 | C8 | 178.8° | 180.0° |
| O2 | C5 | C4 | H5 | 1.3° | 0.1° |
| C5 | O2 | C6 | H6 | 139.1° | 91.4° |
| C5 | O2 | C6 | H7 | 100.5° | 145.8° |
| O2 | C6 | O3 | H6 | 119.8° | 118.6° |
| O2 | C6 | O3 | H7 | 119.8° | 118.7° |
| O2 | C6 | O3 | C7 | 18.3° | 27.2° |
| C6 | O2 | C5 | C7 | 12.8° | 17.4° |
| O2 | C6 | H6 | H7 | 120.6° | 122.8° |
| C6 | O3 | C7 | C8 | 169.3° | 162.7° |
| C6 | O3 | C7 | C5 | 10.5° | 17.3° |
| O3 | C6 | H6 | H7 | 120.6° | 122.8° |
| O3 | C7 | C8 | C5 | 179.7° | 179.9° |
| O3 | C7 | C8 | C9 | 179.4° | 180.0° |
| C7 | O3 | C6 | H6 | 138.1° | 91.4° |
| C7 | O3 | C6 | H7 | 101.5° | 145.8° |
| O3 | C7 | C8 | H8 | 0.6° | 0.1° |
| C7 | C8 | C9 | H8 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 180.0° | 180.0° |
| C7 | C8 | C9 | C3 | 0.0° | 0.2° |
| C8 | C9 | C10 | C3 | 180.0° | 179.8° |
| C9 | C8 | C7 | C5 | 0.3° | 0.1° |
| C8 | C9 | C10 | H9 | 90.0° | 90.0° |
| C8 | C9 | C10 | H11 | 150.0° | 150.0° |
| C8 | C9 | C10 | H10 | 30.0° | 30.0° |
| C10 | C9 | C8 | H8 | 0.0° | 0.0° |
| C9 | C10 | H9 | H11 | 120.0° | 120.0° |
| C9 | C10 | H9 | H10 | 120.0° | 120.0° |
| C9 | C10 | H11 | H10 | 120.0° | 120.0° |
| C9 | C3 | N1 | H4 | 28.7° | 25.6° |
| C9 | C3 | C4 | H5 | 179.9° | 179.8° |
| C3 | C9 | C8 | H8 | 180.0° | 179.8° |
| C3 | C9 | C10 | H9 | 90.0° | 89.7° |
| C3 | C9 | C10 | H11 | 30.0° | 30.2° |
| C3 | C9 | C10 | H10 | 150.0° | 150.2° |
| C7 | C5 | C4 | H5 | 179.5° | 180.0° |
| C5 | C7 | C8 | H8 | 179.7° | 180.0° |
| H9 | C10 | H11 | H10 | 120.0° | 120.0° |
| H2 | C1 | H1 | H3 | 120.0° | 120.0° |
