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Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C1 | doub | 1.28Å | 1.26Å | |
| N | HN1 | sing | 0.97Å | 1.02Å | |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| C1 | H11 | sing | 1.08Å | 1.10Å | |
| C2 | C3 | sing | 1.53Å | 1.50Å | |
| C2 | H21 | sing | 1.09Å | 1.12Å | |
| C2 | H22 | sing | 1.09Å | 1.11Å | |
| C3 | CA | sing | 1.53Å | 1.52Å | |
| C3 | H31 | sing | 1.09Å | 1.11Å | |
| C3 | H32 | sing | 1.09Å | 1.12Å | |
| CA | C | sing | 1.51Å | 1.50Å | |
| CA | HCA1 | sing | 1.09Å | 1.11Å | |
| CA | HCA2 | sing | 1.09Å | 1.11Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C | HC1 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N | HN1 | 91.2° | 120.0° |
| N | C1 | C2 | 120.2° | 120.1° |
| N | C1 | H11 | 110.4° | 120.0° |
| C2 | C1 | H11 | 129.3° | 120.0° |
| C1 | C2 | C3 | 113.7° | 109.5° |
| C1 | C2 | H21 | 110.7° | 109.5° |
| C1 | C2 | H22 | 110.7° | 109.5° |
| C3 | C2 | H21 | 110.7° | 109.4° |
| C3 | C2 | H22 | 110.7° | 109.4° |
| C2 | C3 | CA | 112.0° | 109.5° |
| C2 | C3 | H31 | 111.3° | 109.5° |
| C2 | C3 | H32 | 111.2° | 109.4° |
| H21 | C2 | H22 | 99.6° | 109.4° |
| CA | C3 | H31 | 111.3° | 109.5° |
| CA | C3 | H32 | 111.3° | 109.4° |
| C3 | CA | C | 113.2° | 109.5° |
| C3 | CA | HCA1 | 110.8° | 109.5° |
| C3 | CA | HCA2 | 110.8° | 109.4° |
| H31 | C3 | H32 | 99.1° | 109.4° |
| C | CA | HCA1 | 110.8° | 109.5° |
| C | CA | HCA2 | 110.8° | 109.5° |
| CA | C | O | 120.8° | 120.0° |
| CA | C | HC1 | 129.5° | 120.0° |
| HCA1 | CA | HCA2 | 99.5° | 109.4° |
| O | C | HC1 | 109.7° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C1 | C2 | H11 | 179.9° | 180.0° |
| N | C1 | C2 | C3 | 178.7° | 120.0° |
| N | C1 | C2 | H21 | 53.5° | 120.0° |
| N | C1 | C2 | H22 | 56.0° | 0.0° |
| HN1 | N | C1 | C2 | 112.4° | 180.0° |
| HN1 | N | C1 | H11 | 67.5° | 0.0° |
| C1 | C2 | C3 | H21 | 125.2° | 120.1° |
| C1 | C2 | C3 | H22 | 125.3° | 120.0° |
| C1 | C2 | H21 | H22 | 116.5° | 120.0° |
| C1 | C2 | C3 | CA | 158.8° | 180.0° |
| C1 | C2 | C3 | H31 | 33.5° | 59.9° |
| C1 | C2 | C3 | H32 | 76.0° | 60.0° |
| H11 | C1 | C2 | C3 | 1.2° | 60.0° |
| H11 | C1 | C2 | H21 | 126.5° | 60.0° |
| H11 | C1 | C2 | H22 | 124.1° | 180.0° |
| C3 | C2 | H21 | H22 | 116.6° | 119.9° |
| C2 | C3 | CA | H31 | 125.3° | 120.1° |
| C2 | C3 | CA | H32 | 125.2° | 120.0° |
| C2 | C3 | H31 | H32 | 117.1° | 119.9° |
| C2 | C3 | CA | C | 65.4° | 180.0° |
| C2 | C3 | CA | HCA1 | 59.8° | 59.9° |
| C2 | C3 | CA | HCA2 | 169.3° | 60.0° |
| H21 | C2 | C3 | CA | 76.0° | 59.9° |
| H21 | C2 | C3 | H31 | 158.7° | 180.0° |
| H21 | C2 | C3 | H32 | 49.3° | 60.1° |
| H22 | C2 | C3 | CA | 33.5° | 60.0° |
| H22 | C2 | C3 | H31 | 91.8° | 60.1° |
| H22 | C2 | C3 | H32 | 158.8° | 180.0° |
| CA | C3 | H31 | H32 | 117.2° | 119.9° |
| C3 | CA | C | HCA1 | 125.3° | 120.0° |
| C3 | CA | C | HCA2 | 125.2° | 120.0° |
| C3 | CA | HCA1 | HCA2 | 116.7° | 119.9° |
| C3 | CA | C | O | 41.3° | 120.1° |
| C3 | CA | C | HC1 | 138.6° | 60.0° |
| H31 | C3 | CA | C | 169.3° | 59.9° |
| H31 | C3 | CA | HCA1 | 65.4° | 180.0° |
| H31 | C3 | CA | HCA2 | 44.1° | 60.1° |
| H32 | C3 | CA | C | 59.8° | 60.0° |
| H32 | C3 | CA | HCA1 | 174.9° | 60.0° |
| H32 | C3 | CA | HCA2 | 65.4° | 179.9° |
| C | CA | HCA1 | HCA2 | 116.7° | 120.1° |
| CA | C | O | HC1 | 180.0° | 179.9° |
| HCA1 | CA | C | O | 166.6° | 0.1° |
| HCA1 | CA | C | HC1 | 13.4° | 180.0° |
| HCA2 | CA | C | O | 83.9° | 119.9° |
| HCA2 | CA | C | HC1 | 96.1° | 60.0° |
