A1BMP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C1 | sing | 1.35Å | 1.35Å | |
| C1 | C2 | doub | 1.38Å | 1.37Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.38Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | N1 | sing | 1.32Å | 1.35Å | Aromatic |
| N1 | C5 | doub | 1.32Å | 1.35Å | Aromatic |
| C5 | N2 | sing | 1.39Å | 1.36Å | |
| N2 | C6 | sing | 1.46Å | 1.47Å | |
| C6 | C7 | sing | 1.46Å | 1.53Å | |
| C7 | C8 | sing | 1.54Å | 1.52Å | |
| C8 | C9 | sing | 1.50Å | 1.51Å | |
| C9 | O1 | sing | 1.44Å | 1.42Å | |
| O1 | C10 | sing | 1.44Å | 1.42Å | |
| C10 | C11 | sing | 1.50Å | 1.51Å | |
| C1 | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | C11 | sing | 1.54Å | 1.53Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| N2 | H4 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C1 | C2 | 120.2° | 120.4° |
| F1 | C1 | C5 | 118.3° | 120.5° |
| C1 | C2 | C3 | 118.1° | 118.5° |
| C2 | C1 | C5 | 121.5° | 119.1° |
| C1 | C2 | H1 | 121.0° | 120.8° |
| C2 | C3 | C4 | 118.6° | 119.4° |
| C3 | C2 | H1 | 121.0° | 120.7° |
| C2 | C3 | H2 | 120.7° | 120.3° |
| C3 | C4 | N1 | 123.7° | 120.9° |
| C3 | C4 | H3 | 118.2° | 119.5° |
| C4 | C3 | H2 | 120.7° | 120.3° |
| C4 | N1 | C5 | 118.1° | 121.7° |
| N1 | C4 | H3 | 118.2° | 119.6° |
| N1 | C5 | N2 | 121.4° | 119.7° |
| N1 | C5 | C1 | 120.0° | 120.6° |
| C5 | N2 | C6 | 127.5° | 120.0° |
| N2 | C5 | C1 | 118.5° | 119.7° |
| C5 | N2 | H4 | 104.8° | 120.0° |
| N2 | C6 | C7 | 110.8° | 109.0° |
| N2 | C6 | C11 | 110.8° | 109.0° |
| N2 | C6 | H5 | 106.0° | 108.9° |
| C6 | N2 | H4 | 104.8° | 120.0° |
| C6 | C7 | C8 | 113.4° | 112.1° |
| C7 | C6 | C11 | 117.6° | 112.0° |
| C7 | C6 | H5 | 105.3° | 109.0° |
| C6 | C7 | H7 | 108.5° | 109.0° |
| C6 | C7 | H6 | 108.5° | 109.0° |
| C7 | C8 | C9 | 115.3° | 108.8° |
| C8 | C7 | H7 | 108.5° | 109.0° |
| C8 | C7 | H6 | 108.5° | 108.9° |
| C7 | C8 | H9 | 108.0° | 109.6° |
| C7 | C8 | H8 | 108.0° | 109.6° |
| C8 | C9 | O1 | 115.4° | 112.8° |
| C9 | C8 | H9 | 108.0° | 109.6° |
| C9 | C8 | H8 | 108.0° | 109.6° |
| C8 | C9 | H11 | 108.0° | 108.8° |
| C8 | C9 | H10 | 108.0° | 108.8° |
| C9 | O1 | C10 | 114.8° | 116.9° |
| O1 | C9 | H11 | 108.0° | 108.8° |
| O1 | C9 | H10 | 108.0° | 108.8° |
| O1 | C10 | C11 | 115.4° | 112.8° |
| O1 | C10 | H13 | 107.9° | 108.9° |
| O1 | C10 | H12 | 108.0° | 108.7° |
| C10 | C11 | C6 | 115.6° | 108.8° |
| C11 | C10 | H13 | 108.0° | 108.8° |
| C11 | C10 | H12 | 108.0° | 108.8° |
| C10 | C11 | H15 | 107.9° | 109.6° |
| C10 | C11 | H14 | 107.9° | 109.6° |
| C11 | C6 | H5 | 105.3° | 109.0° |
| C6 | C11 | H15 | 107.9° | 109.6° |
| C6 | C11 | H14 | 107.9° | 109.6° |
| H7 | C7 | H6 | 109.5° | 108.9° |
| H9 | C8 | H8 | 109.5° | 109.6° |
| H13 | C10 | H12 | 109.5° | 108.8° |
| H15 | C11 | H14 | 109.4° | 109.8° |
| H11 | C9 | H10 | 109.5° | 108.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C1 | C2 | C5 | 179.5° | 180.0° |
| F1 | C1 | C2 | C3 | 178.1° | 180.0° |
| F1 | C1 | C5 | N1 | 178.6° | 180.0° |
| F1 | C1 | C5 | N2 | 0.3° | 0.0° |
| F1 | C1 | C2 | H1 | 1.9° | 0.1° |
| C1 | C2 | C3 | H1 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.8° | 0.0° |
| C2 | C1 | C5 | N1 | 1.9° | 0.0° |
| C2 | C1 | C5 | N2 | 179.9° | 180.0° |
| C1 | C2 | C3 | H2 | 179.3° | 180.0° |
| C2 | C3 | C4 | H2 | 180.0° | 180.0° |
| C2 | C3 | C4 | N1 | 1.4° | 0.0° |
| C3 | C2 | C1 | C5 | 2.4° | 0.0° |
| C2 | C3 | C4 | H3 | 178.6° | 179.9° |
| C3 | C4 | N1 | H3 | 180.0° | 179.9° |
| C3 | C4 | N1 | C5 | 2.0° | 0.1° |
| C4 | C3 | C2 | H1 | 179.2° | 179.9° |
| C4 | N1 | C5 | N2 | 177.9° | 180.0° |
| C4 | N1 | C5 | C1 | 0.3° | 0.0° |
| N1 | C4 | C3 | H2 | 178.5° | 180.0° |
| N1 | C5 | N2 | C1 | 178.3° | 180.0° |
| N1 | C5 | N2 | C6 | 8.3° | 0.1° |
| C5 | N1 | C4 | H3 | 178.0° | 180.0° |
| N1 | C5 | N2 | H4 | 114.1° | 180.0° |
| C5 | N2 | C6 | H4 | 122.4° | 180.0° |
| C5 | N2 | C6 | C7 | 73.1° | 155.0° |
| C5 | N2 | C6 | C11 | 59.3° | 82.4° |
| C5 | N2 | C6 | H5 | 173.1° | 36.3° |
| N2 | C6 | C7 | C11 | 128.9° | 120.6° |
| N2 | C6 | C7 | H5 | 114.2° | 118.7° |
| N2 | C6 | C7 | C8 | 150.7° | 178.4° |
| N2 | C6 | C11 | C10 | 167.0° | 161.5° |
| C6 | N2 | C5 | C1 | 173.5° | 180.0° |
| N2 | C6 | C11 | H5 | 114.2° | 118.7° |
| N2 | C6 | C7 | H7 | 30.1° | 57.8° |
| N2 | C6 | C7 | H6 | 88.8° | 60.9° |
| N2 | C6 | C11 | H15 | 72.1° | 78.7° |
| N2 | C6 | C11 | H14 | 46.1° | 41.8° |
| C6 | C7 | C8 | H7 | 120.6° | 120.7° |
| C6 | C7 | C8 | H6 | 120.6° | 120.7° |
| C6 | C7 | C8 | C9 | 66.6° | 77.8° |
| C7 | C6 | C11 | C10 | 38.2° | 77.8° |
| C7 | C6 | C11 | H5 | 117.0° | 120.6° |
| C6 | C7 | H7 | H6 | 118.2° | 118.8° |
| C6 | C7 | C8 | H9 | 54.3° | 42.0° |
| C6 | C7 | C8 | H8 | 172.6° | 162.3° |
| C7 | C6 | C11 | H15 | 159.1° | 41.9° |
| C7 | C6 | C11 | H14 | 82.8° | 162.4° |
| C7 | C6 | N2 | H4 | 164.5° | 25.0° |
| C7 | C8 | C9 | H9 | 120.9° | 119.8° |
| C7 | C8 | C9 | H8 | 120.8° | 119.8° |
| C7 | C8 | C9 | O1 | 55.7° | 92.6° |
| C8 | C7 | C6 | C11 | 80.5° | 60.9° |
| C8 | C7 | C6 | H5 | 36.5° | 59.8° |
| C8 | C7 | H7 | H6 | 118.2° | 118.7° |
| C7 | C8 | H9 | H8 | 117.3° | 120.3° |
| C7 | C8 | C9 | H11 | 176.6° | 146.6° |
| C7 | C8 | C9 | H10 | 65.1° | 28.3° |
| C8 | C9 | O1 | H11 | 120.9° | 120.9° |
| C8 | C9 | O1 | H10 | 120.8° | 120.9° |
| C8 | C9 | O1 | C10 | 78.5° | 41.5° |
| C9 | C8 | C7 | H7 | 172.9° | 161.5° |
| C9 | C8 | C7 | H6 | 54.0° | 42.9° |
| C9 | C8 | H9 | H8 | 117.4° | 120.4° |
| C8 | C9 | H11 | H10 | 117.3° | 118.4° |
| C9 | O1 | C10 | C11 | 89.8° | 41.5° |
| O1 | C9 | C8 | H9 | 65.1° | 27.2° |
| O1 | C9 | C8 | H8 | 176.6° | 147.6° |
| C9 | O1 | C10 | H13 | 149.4° | 162.3° |
| C9 | O1 | C10 | H12 | 31.1° | 79.2° |
| O1 | C9 | H11 | H10 | 117.3° | 118.4° |
| O1 | C10 | C11 | H13 | 120.8° | 120.9° |
| O1 | C10 | C11 | H12 | 120.9° | 120.7° |
| O1 | C10 | C11 | C6 | 36.6° | 92.6° |
| O1 | C10 | H13 | H12 | 117.3° | 118.3° |
| O1 | C10 | C11 | H15 | 84.3° | 27.2° |
| O1 | C10 | C11 | H14 | 157.5° | 147.7° |
| C10 | O1 | C9 | H11 | 160.7° | 162.4° |
| C10 | O1 | C9 | H10 | 42.4° | 79.3° |
| C10 | C11 | C6 | H15 | 120.9° | 119.8° |
| C10 | C11 | C6 | H14 | 120.9° | 119.7° |
| C10 | C11 | C6 | H5 | 78.8° | 42.8° |
| C11 | C10 | H13 | H12 | 117.3° | 118.4° |
| C10 | C11 | H15 | H14 | 117.2° | 120.4° |
| C5 | C1 | C2 | H1 | 177.6° | 180.0° |
| C1 | C5 | N2 | H4 | 64.1° | 0.0° |
| C11 | C6 | C7 | H7 | 159.0° | 178.4° |
| C11 | C6 | C7 | H6 | 40.1° | 59.7° |
| C6 | C11 | C10 | H13 | 157.5° | 146.5° |
| C6 | C11 | C10 | H12 | 84.2° | 28.1° |
| C6 | C11 | H15 | H14 | 117.2° | 120.4° |
| C11 | C6 | N2 | H4 | 63.1° | 97.5° |
| H3 | C4 | C3 | H2 | 1.5° | 0.1° |
| H5 | C6 | C7 | H7 | 84.1° | 60.9° |
| H5 | C6 | C7 | H6 | 157.1° | 179.6° |
| H5 | C6 | C11 | H15 | 42.1° | 162.6° |
| H5 | C6 | C11 | H14 | 160.3° | 76.9° |
| H5 | C6 | N2 | H4 | 50.7° | 143.7° |
| H7 | C7 | C8 | H9 | 66.3° | 78.7° |
| H7 | C7 | C8 | H8 | 52.0° | 41.7° |
| H6 | C7 | C8 | H9 | 174.9° | 162.7° |
| H6 | C7 | C8 | H8 | 66.8° | 77.0° |
| H9 | C8 | C9 | H11 | 55.7° | 93.6° |
| H9 | C8 | C9 | H10 | 174.0° | 148.1° |
| H8 | C8 | C9 | H11 | 62.6° | 26.8° |
| H8 | C8 | C9 | H10 | 55.7° | 91.5° |
| H13 | C10 | C11 | H15 | 36.5° | 93.7° |
| H13 | C10 | C11 | H14 | 81.6° | 26.8° |
| H12 | C10 | C11 | H15 | 154.8° | 147.9° |
| H12 | C10 | C11 | H14 | 36.7° | 91.6° |
| H1 | C2 | C3 | H2 | 0.8° | 0.0° |
