Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.53Å | 1.55Å | |
| C | C2 | sing | 1.53Å | 1.41Å | |
| C | C3 | sing | 1.53Å | 1.53Å | |
| C | N | sing | 1.47Å | 1.49Å | |
| C1 | O1 | sing | 1.43Å | 1.34Å | |
| C1 | H11 | sing | 1.09Å | 1.12Å | |
| C1 | H12 | sing | 1.09Å | 1.11Å | |
| C2 | O2 | sing | 1.43Å | 1.42Å | |
| C2 | H21 | sing | 1.09Å | 1.12Å | |
| C2 | H22 | sing | 1.09Å | 1.12Å | |
| C3 | O3 | sing | 1.43Å | 1.41Å | |
| C3 | H31 | sing | 1.09Å | 1.11Å | |
| C3 | H32 | sing | 1.09Å | 1.11Å | |
| N | HN1 | sing | 1.01Å | 1.02Å | |
| N | HN2 | sing | 1.01Å | 1.02Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C | C2 | 104.8° | 109.4° |
| C1 | C | C3 | 106.5° | 109.5° |
| C1 | C | N | 108.6° | 109.5° |
| C | C1 | O1 | 116.0° | 109.5° |
| C | C1 | H11 | 109.9° | 109.5° |
| C | C1 | H12 | 109.9° | 109.5° |
| C2 | C | C3 | 114.6° | 109.4° |
| C2 | C | N | 111.2° | 109.5° |
| C | C2 | O2 | 118.6° | 109.5° |
| C | C2 | H21 | 108.9° | 109.5° |
| C | C2 | H22 | 108.9° | 109.5° |
| C3 | C | N | 110.8° | 109.5° |
| C | C3 | O3 | 123.8° | 109.4° |
| C | C3 | H31 | 107.1° | 109.5° |
| C | C3 | H32 | 107.1° | 109.5° |
| C | N | HN1 | 108.6° | 109.5° |
| C | N | HN2 | 112.6° | 109.5° |
| O1 | C1 | H11 | 109.8° | 109.5° |
| O1 | C1 | H12 | 109.8° | 109.5° |
| C1 | O1 | HO1 | 116.0° | 106.8° |
| H11 | C1 | H12 | 100.3° | 109.4° |
| O2 | C2 | H21 | 108.9° | 109.5° |
| O2 | C2 | H22 | 108.9° | 109.5° |
| C2 | O2 | HO2 | 118.6° | 106.8° |
| H21 | C2 | H22 | 101.1° | 109.4° |
| O3 | C3 | H31 | 107.2° | 109.5° |
| O3 | C3 | H32 | 107.2° | 109.4° |
| C3 | O3 | HO3 | 123.8° | 106.8° |
| H31 | C3 | H32 | 102.6° | 109.5° |
| HN1 | N | HN2 | 112.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C | C2 | C3 | 116.3° | 120.0° |
| C1 | C | C2 | N | 117.1° | 120.0° |
| C1 | C | C3 | N | 117.8° | 120.0° |
| C | C1 | O1 | H11 | 125.3° | 120.0° |
| C | C1 | O1 | H12 | 125.3° | 120.0° |
| C | C1 | H11 | H12 | 115.7° | 120.0° |
| C1 | C | C2 | O2 | 179.7° | 65.0° |
| C1 | C | C2 | H21 | 55.0° | 175.0° |
| C1 | C | C2 | H22 | 54.4° | 55.0° |
| C1 | C | C3 | O3 | 61.9° | 60.1° |
| C1 | C | C3 | H31 | 172.8° | 59.9° |
| C1 | C | C3 | H32 | 63.4° | 180.0° |
| C1 | C | N | HN1 | 180.0° | 60.0° |
| C1 | C | N | HN2 | 54.7° | 180.0° |
| C | C1 | O1 | HO1 | 179.9° | 180.0° |
| C2 | C | C3 | N | 126.8° | 120.0° |
| C2 | C | C1 | O1 | 179.7° | 60.0° |
| C2 | C | C1 | H11 | 54.5° | 180.0° |
| C2 | C | C1 | H12 | 55.0° | 60.0° |
| C | C2 | O2 | H21 | 125.3° | 120.0° |
| C | C2 | O2 | H22 | 125.2° | 120.0° |
| C | C2 | H21 | H22 | 114.6° | 120.0° |
| C2 | C | C3 | O3 | 53.5° | 180.0° |
| C2 | C | C3 | H31 | 71.8° | 60.0° |
| C2 | C | C3 | H32 | 178.7° | 60.0° |
| C2 | C | N | HN1 | 65.2° | 60.0° |
| C2 | C | N | HN2 | 60.1° | 60.1° |
| C | C2 | O2 | HO2 | 180.0° | 180.0° |
| C3 | C | C1 | O1 | 58.4° | 60.0° |
| C3 | C | C1 | H11 | 176.3° | 60.0° |
| C3 | C | C1 | H12 | 66.8° | 180.0° |
| C3 | C | C2 | O2 | 64.0° | 175.0° |
| C3 | C | C2 | H21 | 61.3° | 55.0° |
| C3 | C | C2 | H22 | 170.7° | 64.9° |
| C | C3 | O3 | H31 | 125.2° | 120.0° |
| C | C3 | O3 | H32 | 125.2° | 120.0° |
| C | C3 | H31 | H32 | 112.6° | 120.1° |
| C3 | C | N | HN1 | 63.5° | 180.0° |
| C3 | C | N | HN2 | 171.3° | 59.9° |
| C | C3 | O3 | HO3 | 180.0° | 180.0° |
| N | C | C1 | O1 | 60.8° | 180.0° |
| N | C | C1 | H11 | 64.4° | 60.0° |
| N | C | C1 | H12 | 173.9° | 60.0° |
| N | C | C2 | O2 | 62.6° | 55.0° |
| N | C | C2 | H21 | 172.1° | 65.0° |
| N | C | C2 | H22 | 62.7° | 175.0° |
| N | C | C3 | O3 | 179.7° | 60.0° |
| N | C | C3 | H31 | 55.0° | 180.0° |
| N | C | C3 | H32 | 54.5° | 60.0° |
| C | N | HN1 | HN2 | 125.3° | 120.0° |
| O1 | C1 | H11 | H12 | 115.6° | 120.0° |
| H11 | C1 | O1 | HO1 | 54.7° | 60.0° |
| H12 | C1 | O1 | HO1 | 54.8° | 60.0° |
| O2 | C2 | H21 | H22 | 114.6° | 120.0° |
| H21 | C2 | O2 | HO2 | 54.7° | 60.0° |
| H22 | C2 | O2 | HO2 | 54.7° | 60.0° |
| O3 | C3 | H31 | H32 | 112.7° | 120.0° |
| H31 | C3 | O3 | HO3 | 54.8° | 60.0° |
| H32 | C3 | O3 | HO3 | 54.7° | 60.0° |






