2A3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.43Å | 1.43Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| N1 | C2 | sing | 1.47Å | 1.46Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| N1 | HN1 | sing | 1.01Å | 1.00Å | |
| N1 | HN1A | sing | 1.01Å | 1.00Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C3 | H3B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 109.8° | 109.5° |
| O1 | C1 | H1 | 109.3° | 109.5° |
| O1 | C1 | H1A | 109.4° | 109.5° |
| C1 | O1 | HO1 | 109.5° | 114.0° |
| C1 | C2 | N1 | 109.8° | 109.5° |
| C1 | C2 | C3 | 111.0° | 109.5° |
| C2 | C1 | H1 | 109.4° | 109.5° |
| C2 | C1 | H1A | 109.3° | 109.5° |
| C1 | C2 | H2 | 108.5° | 109.4° |
| N1 | C2 | C3 | 110.1° | 109.5° |
| C2 | N1 | HN1 | 109.5° | 111.0° |
| C2 | N1 | HN1A | 109.5° | 111.0° |
| N1 | C2 | H2 | 109.3° | 109.5° |
| C3 | C2 | H2 | 108.1° | 109.5° |
| C2 | C3 | H3 | 109.5° | 109.5° |
| C2 | C3 | H3A | 109.5° | 109.5° |
| C2 | C3 | H3B | 109.4° | 109.5° |
| H1 | C1 | H1A | 109.6° | 109.4° |
| HN1 | N1 | HN1A | 109.4° | 111.0° |
| H3 | C3 | H3A | 109.5° | 109.5° |
| H3 | C3 | H3B | 109.5° | 109.5° |
| H3A | C3 | H3B | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | H1 | 120.0° | 120.0° |
| O1 | C1 | C2 | H1A | 120.0° | 120.0° |
| O1 | C1 | C2 | N1 | 51.7° | 65.0° |
| O1 | C1 | C2 | C3 | 70.3° | 55.0° |
| O1 | C1 | H1 | H1A | 119.8° | 120.0° |
| O1 | C1 | C2 | H2 | 171.1° | 175.0° |
| C1 | C2 | N1 | C3 | 122.5° | 120.0° |
| C1 | C2 | N1 | H2 | 118.9° | 120.0° |
| C1 | C2 | C3 | H2 | 118.9° | 120.0° |
| C2 | C1 | H1 | H1A | 119.8° | 120.0° |
| C1 | C2 | N1 | HN1 | 180.0° | 180.0° |
| C1 | C2 | N1 | HN1A | 60.0° | 56.0° |
| C2 | C1 | O1 | HO1 | 180.0° | 180.0° |
| C1 | C2 | C3 | H3 | 180.0° | 60.0° |
| C1 | C2 | C3 | H3A | 60.0° | 179.9° |
| C1 | C2 | C3 | H3B | 60.0° | 60.0° |
| N1 | C2 | C3 | H2 | 119.4° | 120.0° |
| N1 | C2 | C1 | H1 | 68.3° | 55.0° |
| N1 | C2 | C1 | H1A | 171.7° | 175.0° |
| C2 | N1 | HN1 | HN1A | 120.0° | 124.0° |
| N1 | C2 | C3 | H3 | 58.2° | 60.0° |
| N1 | C2 | C3 | H3A | 178.2° | 60.0° |
| N1 | C2 | C3 | H3B | 61.8° | 180.0° |
| C3 | C2 | C1 | H1 | 169.7° | 175.0° |
| C3 | C2 | C1 | H1A | 49.7° | 65.0° |
| C3 | C2 | N1 | HN1 | 57.5° | 60.0° |
| C3 | C2 | N1 | HN1A | 62.4° | 63.9° |
| C2 | C3 | H3 | H3A | 120.0° | 120.0° |
| C2 | C3 | H3 | H3B | 120.0° | 120.0° |
| C2 | C3 | H3A | H3B | 120.0° | 120.0° |
| H1 | C1 | O1 | HO1 | 60.0° | 60.0° |
| H1 | C1 | C2 | H2 | 51.1° | 65.0° |
| H1A | C1 | O1 | HO1 | 60.0° | 59.9° |
| H1A | C1 | C2 | H2 | 68.9° | 55.0° |
| HN1 | N1 | C2 | H2 | 61.1° | 60.0° |
| HN1A | N1 | C2 | H2 | 178.9° | 176.0° |
| H2 | C2 | C3 | H3 | 61.2° | 180.0° |
| H2 | C2 | C3 | H3A | 58.9° | 60.0° |
| H2 | C2 | C3 | H3B | 178.9° | 60.0° |
| H3 | C3 | H3A | H3B | 120.0° | 120.0° |
