A1ASB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | N1 | sing | 1.42Å | 1.43Å | |
| N1 | C3 | sing | 1.37Å | 1.29Å | |
| C3 | C1 | sing | 1.51Å | 1.50Å | |
| C3 | N | doub | 1.29Å | 1.43Å | |
| C1 | C | sing | 1.53Å | 1.53Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N | H2 | sing | 0.97Å | 1.00Å | |
| O | H3 | sing | 0.97Å | 0.95Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| C | H8 | sing | 1.09Å | 1.10Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| C | H10 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | N1 | C3 | 109.7° | 120.0° |
| O | N1 | H1 | 125.1° | 120.0° |
| N1 | O | H3 | 109.5° | 114.0° |
| N1 | C3 | C1 | 116.1° | 120.0° |
| N1 | C3 | N | 124.9° | 120.0° |
| C3 | N1 | H1 | 125.1° | 120.0° |
| C1 | C3 | N | 119.0° | 120.0° |
| C3 | C1 | C | 111.2° | 109.5° |
| C3 | C1 | C2 | 111.7° | 109.5° |
| C3 | C1 | H4 | 107.4° | 109.5° |
| C3 | N | H2 | 112.0° | 120.0° |
| C | C1 | C2 | 112.0° | 109.5° |
| C | C1 | H4 | 107.1° | 109.5° |
| C1 | C | H8 | 109.5° | 109.4° |
| C1 | C | H9 | 109.5° | 109.5° |
| C1 | C | H10 | 109.5° | 109.5° |
| C2 | C1 | H4 | 107.2° | 109.5° |
| C1 | C2 | H5 | 109.5° | 109.5° |
| C1 | C2 | H6 | 109.5° | 109.5° |
| C1 | C2 | H7 | 109.5° | 109.5° |
| H5 | C2 | H6 | 109.5° | 109.4° |
| H5 | C2 | H7 | 109.4° | 109.5° |
| H6 | C2 | H7 | 109.4° | 109.5° |
| H8 | C | H9 | 109.5° | 109.5° |
| H8 | C | H10 | 109.5° | 109.5° |
| H9 | C | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | N1 | C3 | H1 | 180.0° | 179.7° |
| O | N1 | C3 | C1 | 180.0° | 179.7° |
| O | N1 | C3 | N | 0.4° | 0.3° |
| N1 | C3 | C1 | N | 179.6° | 180.0° |
| N1 | C3 | C1 | C | 105.7° | 155.0° |
| N1 | C3 | C1 | C2 | 128.4° | 85.0° |
| N1 | C3 | N | H2 | 179.6° | 180.0° |
| C3 | N1 | O | H3 | 180.0° | 180.0° |
| N1 | C3 | C1 | H4 | 11.1° | 35.0° |
| C3 | C1 | C | C2 | 125.8° | 120.0° |
| C3 | C1 | C | H4 | 117.0° | 120.0° |
| C3 | C1 | C2 | H4 | 117.4° | 120.0° |
| C1 | C3 | N1 | H1 | 0.0° | 0.0° |
| C1 | C3 | N | H2 | 0.0° | 0.0° |
| C3 | C1 | C2 | H5 | 180.0° | 59.9° |
| C3 | C1 | C2 | H6 | 60.0° | 59.9° |
| C3 | C1 | C2 | H7 | 60.0° | 180.0° |
| C3 | C1 | C | H8 | 180.0° | 60.0° |
| C3 | C1 | C | H9 | 60.0° | 180.0° |
| C3 | C1 | C | H10 | 60.0° | 60.0° |
| N | C3 | C1 | C | 74.0° | 25.0° |
| N | C3 | C1 | C2 | 52.0° | 95.0° |
| N | C3 | N1 | H1 | 179.6° | 180.0° |
| N | C3 | C1 | H4 | 169.3° | 145.0° |
| C | C1 | C2 | H4 | 117.2° | 120.0° |
| C | C1 | C2 | H5 | 54.5° | 179.9° |
| C | C1 | C2 | H6 | 174.6° | 60.1° |
| C | C1 | C2 | H7 | 65.5° | 60.0° |
| C1 | C | H8 | H9 | 120.0° | 120.0° |
| C1 | C | H8 | H10 | 120.0° | 120.0° |
| C1 | C | H9 | H10 | 120.0° | 120.1° |
| C1 | C2 | H5 | H6 | 120.0° | 119.9° |
| C1 | C2 | H5 | H7 | 120.0° | 120.1° |
| C1 | C2 | H6 | H7 | 120.0° | 120.1° |
| C2 | C1 | C | H8 | 54.2° | 180.0° |
| C2 | C1 | C | H9 | 65.8° | 60.0° |
| C2 | C1 | C | H10 | 174.2° | 60.1° |
| H1 | N1 | O | H3 | 0.0° | 0.3° |
| H4 | C1 | C2 | H5 | 62.6° | 60.1° |
| H4 | C1 | C2 | H6 | 57.4° | 179.9° |
| H4 | C1 | C2 | H7 | 177.4° | 60.0° |
| H4 | C1 | C | H8 | 63.0° | 60.0° |
| H4 | C1 | C | H9 | 177.0° | 60.0° |
| H4 | C1 | C | H10 | 57.0° | 180.0° |
| H5 | C2 | H6 | H7 | 120.0° | 120.0° |
| H8 | C | H9 | H10 | 120.0° | 120.0° |
