A1BF7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | sing | 1.43Å | 1.43Å | |
| O | C1 | sing | 1.43Å | 1.42Å | |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| O1 | C2 | doub | 1.21Å | 1.22Å | |
| C2 | N | sing | 1.35Å | 1.35Å | |
| N | C3 | sing | 1.47Å | 1.47Å | |
| C3 | C4 | sing | 1.53Å | 1.50Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C7 | C6 | sing | 1.53Å | 1.53Å | |
| N | C7 | sing | 1.47Å | 1.46Å | |
| C6 | C8 | sing | 1.51Å | 1.52Å | |
| C8 | O2 | doub | 1.21Å | 1.23Å | |
| N1 | C8 | sing | 1.35Å | 1.32Å | |
| N1 | H14 | sing | 0.97Å | 1.00Å | |
| N1 | H15 | sing | 0.97Å | 1.00Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C | H | sing | 1.09Å | 1.10Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | O | C1 | 113.5° | 114.1° |
| O | C | H | 109.5° | 109.5° |
| O | C | H1 | 109.5° | 109.5° |
| O | C | H2 | 109.5° | 109.5° |
| O | C1 | C2 | 115.0° | 109.5° |
| O | C1 | H3 | 108.1° | 109.5° |
| O | C1 | H4 | 108.1° | 109.4° |
| C1 | C2 | O1 | 122.1° | 120.0° |
| C1 | C2 | N | 116.0° | 120.0° |
| C2 | C1 | H3 | 108.1° | 109.5° |
| C2 | C1 | H4 | 108.1° | 109.5° |
| O1 | C2 | N | 121.9° | 120.0° |
| C2 | N | C3 | 123.3° | 120.6° |
| C2 | N | C7 | 124.4° | 120.7° |
| N | C3 | C4 | 109.7° | 108.8° |
| C3 | N | C7 | 112.2° | 118.7° |
| N | C3 | H5 | 109.4° | 109.6° |
| N | C3 | H6 | 109.4° | 109.6° |
| C3 | C4 | C5 | 109.4° | 109.3° |
| C3 | C4 | H7 | 109.5° | 109.5° |
| C3 | C4 | H8 | 109.5° | 109.5° |
| C4 | C3 | H5 | 109.4° | 109.5° |
| C4 | C3 | H6 | 109.4° | 109.6° |
| C4 | C5 | C6 | 110.2° | 109.5° |
| C5 | C4 | H7 | 109.5° | 109.5° |
| C5 | C4 | H8 | 109.5° | 109.5° |
| C4 | C5 | H9 | 109.3° | 109.5° |
| C4 | C5 | H10 | 109.3° | 109.4° |
| C5 | C6 | C7 | 108.8° | 109.3° |
| C5 | C6 | C8 | 111.7° | 109.5° |
| C6 | C5 | H9 | 109.3° | 109.4° |
| C6 | C5 | H10 | 109.3° | 109.5° |
| C5 | C6 | H11 | 108.2° | 109.5° |
| C6 | C7 | N | 108.8° | 108.8° |
| C7 | C6 | C8 | 111.3° | 109.5° |
| C7 | C6 | H11 | 108.3° | 109.5° |
| C6 | C7 | H12 | 109.6° | 109.6° |
| C6 | C7 | H13 | 109.6° | 109.5° |
| N | C7 | H12 | 109.6° | 109.6° |
| N | C7 | H13 | 109.6° | 109.7° |
| C6 | C8 | O2 | 121.2° | 120.1° |
| C6 | C8 | N1 | 116.1° | 120.0° |
| C8 | C6 | H11 | 108.4° | 109.5° |
| O2 | C8 | N1 | 122.7° | 120.0° |
| C8 | N1 | H14 | 120.0° | 120.0° |
| C8 | N1 | H15 | 120.0° | 120.0° |
| H14 | N1 | H15 | 120.0° | 120.0° |
| H7 | C4 | H8 | 109.4° | 109.5° |
| H9 | C5 | H10 | 109.5° | 109.4° |
| H12 | C7 | H13 | 109.5° | 109.6° |
| H | C | H1 | 109.5° | 109.5° |
| H | C | H2 | 109.4° | 109.5° |
| H1 | C | H2 | 109.5° | 109.5° |
| H3 | C1 | H4 | 109.5° | 109.4° |
| H5 | C3 | H6 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | O | C1 | C2 | 72.8° | 180.0° |
| O | C | H | H1 | 120.0° | 120.0° |
| O | C | H | H2 | 120.0° | 120.0° |
| O | C | H1 | H2 | 120.0° | 120.0° |
| C | O | C1 | H3 | 48.0° | 60.0° |
| C | O | C1 | H4 | 166.4° | 59.9° |
| O | C1 | C2 | H3 | 120.8° | 120.0° |
| O | C1 | C2 | H4 | 120.8° | 120.0° |
| O | C1 | C2 | O1 | 0.3° | 0.0° |
| O | C1 | C2 | N | 178.7° | 180.0° |
| C1 | O | C | H | 180.0° | 60.0° |
| C1 | O | C | H1 | 60.0° | 180.0° |
| C1 | O | C | H2 | 60.0° | 60.0° |
| O | C1 | H3 | H4 | 117.5° | 119.9° |
| C1 | C2 | O1 | N | 178.4° | 180.0° |
| C1 | C2 | N | C3 | 12.3° | 0.0° |
| C1 | C2 | N | C7 | 165.1° | 180.0° |
| C2 | C1 | H3 | H4 | 117.5° | 120.0° |
| O1 | C2 | N | C3 | 169.2° | 180.0° |
| O1 | C2 | N | C7 | 13.3° | 0.0° |
| O1 | C2 | C1 | H3 | 121.1° | 120.0° |
| O1 | C2 | C1 | H4 | 120.5° | 120.0° |
| C2 | N | C3 | C7 | 177.8° | 180.0° |
| C2 | N | C3 | C4 | 115.9° | 126.3° |
| C2 | N | C7 | C6 | 116.0° | 126.4° |
| C2 | N | C7 | H12 | 124.1° | 113.9° |
| C2 | N | C7 | H13 | 3.9° | 6.6° |
| N | C2 | C1 | H3 | 60.5° | 59.9° |
| N | C2 | C1 | H4 | 57.9° | 60.0° |
| C2 | N | C3 | H5 | 124.1° | 6.6° |
| C2 | N | C3 | H6 | 4.1° | 113.9° |
| N | C3 | C4 | H5 | 120.0° | 119.8° |
| N | C3 | C4 | H6 | 120.1° | 119.8° |
| N | C3 | C4 | C5 | 58.1° | 54.6° |
| C3 | N | C7 | C6 | 61.7° | 53.6° |
| N | C3 | C4 | H7 | 178.1° | 65.3° |
| N | C3 | C4 | H8 | 61.9° | 174.6° |
| C3 | N | C7 | H12 | 58.1° | 66.2° |
| C3 | N | C7 | H13 | 178.4° | 173.4° |
| N | C3 | H5 | H6 | 119.9° | 120.4° |
| C3 | C4 | C5 | H7 | 120.0° | 119.9° |
| C3 | C4 | C5 | H8 | 120.0° | 119.9° |
| C3 | C4 | C5 | C6 | 57.1° | 61.4° |
| C4 | C3 | N | C7 | 61.9° | 53.6° |
| C3 | C4 | H7 | H8 | 120.0° | 120.1° |
| C3 | C4 | C5 | H9 | 63.0° | 58.6° |
| C3 | C4 | C5 | H10 | 177.3° | 178.6° |
| C4 | C3 | H5 | H6 | 119.9° | 120.4° |
| C4 | C5 | C6 | H9 | 120.1° | 120.1° |
| C4 | C5 | C6 | H10 | 120.1° | 120.0° |
| C4 | C5 | C6 | C7 | 57.2° | 61.4° |
| C4 | C5 | C6 | C8 | 179.5° | 178.7° |
| C5 | C4 | H7 | H8 | 120.1° | 120.1° |
| C4 | C5 | H9 | H10 | 119.7° | 120.0° |
| C4 | C5 | C6 | H11 | 60.2° | 58.6° |
| C5 | C4 | C3 | H5 | 61.9° | 174.4° |
| C5 | C4 | C3 | H6 | 178.1° | 65.1° |
| C5 | C6 | C7 | C8 | 123.6° | 119.9° |
| C5 | C6 | C7 | H11 | 117.4° | 119.9° |
| C5 | C6 | C7 | N | 58.3° | 54.6° |
| C5 | C6 | C8 | H11 | 119.1° | 120.0° |
| C5 | C6 | C8 | O2 | 69.7° | 0.0° |
| C5 | C6 | C8 | N1 | 112.2° | 180.0° |
| C6 | C5 | C4 | H7 | 177.1° | 58.6° |
| C6 | C5 | C4 | H8 | 62.9° | 178.7° |
| C6 | C5 | H9 | H10 | 119.7° | 120.0° |
| C5 | C6 | C7 | H12 | 61.6° | 65.2° |
| C5 | C6 | C7 | H13 | 178.2° | 174.5° |
| C6 | C7 | N | H12 | 119.9° | 119.8° |
| C6 | C7 | N | H13 | 119.9° | 119.8° |
| C7 | C6 | C8 | H11 | 119.0° | 120.1° |
| C7 | C6 | C8 | O2 | 52.2° | 119.8° |
| C7 | C6 | C8 | N1 | 125.9° | 60.2° |
| C7 | C6 | C5 | H9 | 62.9° | 58.7° |
| C7 | C6 | C5 | H10 | 177.3° | 178.6° |
| C6 | C7 | H12 | H13 | 120.3° | 120.2° |
| N | C7 | C6 | C8 | 178.1° | 174.6° |
| N | C7 | C6 | H11 | 59.1° | 65.3° |
| N | C7 | H12 | H13 | 120.3° | 120.5° |
| C7 | N | C3 | H5 | 58.2° | 173.4° |
| C7 | N | C3 | H6 | 178.1° | 66.2° |
| C6 | C8 | O2 | N1 | 178.0° | 180.0° |
| C6 | C8 | N1 | H14 | 178.1° | 0.0° |
| C6 | C8 | N1 | H15 | 1.9° | 179.7° |
| C8 | C6 | C5 | H9 | 60.4° | 61.3° |
| C8 | C6 | C5 | H10 | 59.3° | 58.7° |
| C8 | C6 | C7 | H12 | 62.0° | 54.8° |
| C8 | C6 | C7 | H13 | 58.2° | 65.5° |
| O2 | C8 | N1 | H14 | 0.0° | 180.0° |
| O2 | C8 | N1 | H15 | 180.0° | 0.3° |
| O2 | C8 | C6 | H11 | 171.2° | 120.1° |
| C8 | N1 | H14 | H15 | 180.0° | 179.7° |
| N1 | C8 | C6 | H11 | 6.9° | 60.0° |
| H7 | C4 | C5 | H9 | 57.0° | 178.6° |
| H7 | C4 | C5 | H10 | 62.8° | 61.5° |
| H7 | C4 | C3 | H5 | 58.1° | 54.4° |
| H7 | C4 | C3 | H6 | 61.9° | 174.9° |
| H8 | C4 | C5 | H9 | 177.0° | 61.3° |
| H8 | C4 | C5 | H10 | 57.2° | 58.7° |
| H8 | C4 | C3 | H5 | 178.1° | 65.7° |
| H8 | C4 | C3 | H6 | 58.1° | 54.8° |
| H9 | C5 | C6 | H11 | 179.7° | 178.7° |
| H10 | C5 | C6 | H11 | 59.9° | 61.4° |
| H11 | C6 | C7 | H12 | 179.0° | 174.9° |
| H11 | C6 | C7 | H13 | 60.8° | 54.6° |
| H | C | H1 | H2 | 120.0° | 120.0° |
