LYT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N | sing | 1.47Å | 1.47Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | H11 | sing | 1.09Å | 1.11Å | |
| C1 | H12 | sing | 1.09Å | 1.11Å | |
| N | HN1 | sing | 1.01Å | 1.02Å | |
| N | HN2 | sing | 1.01Å | 1.02Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | H21 | sing | 1.09Å | 1.11Å | |
| C2 | H22 | sing | 1.09Å | 1.12Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C3 | H31 | sing | 1.09Å | 1.12Å | |
| C3 | H32 | sing | 1.09Å | 1.12Å | |
| C4 | H41 | sing | 1.09Å | 1.12Å | |
| C4 | H42 | sing | 1.09Å | 1.11Å | |
| C4 | H43 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | C1 | C2 | 108.4° | 109.5° |
| N | C1 | H11 | 112.6° | 109.5° |
| N | C1 | H12 | 112.6° | 109.4° |
| C1 | N | HN1 | 108.4° | 106.8° |
| C1 | N | HN2 | 112.6° | 106.8° |
| C2 | C1 | H11 | 112.6° | 109.6° |
| C2 | C1 | H12 | 112.6° | 109.4° |
| C1 | C2 | C3 | 117.3° | 109.5° |
| C1 | C2 | H21 | 109.4° | 109.5° |
| C1 | C2 | H22 | 109.4° | 109.4° |
| H11 | C1 | H12 | 97.9° | 109.5° |
| HN1 | N | HN2 | 112.6° | 106.7° |
| C3 | C2 | H21 | 109.4° | 109.5° |
| C3 | C2 | H22 | 109.4° | 109.4° |
| C2 | C3 | C4 | 113.2° | 109.6° |
| C2 | C3 | H31 | 110.9° | 109.5° |
| C2 | C3 | H32 | 110.9° | 109.5° |
| H21 | C2 | H22 | 100.7° | 109.4° |
| C4 | C3 | H31 | 110.9° | 109.5° |
| C4 | C3 | H32 | 110.9° | 109.4° |
| C3 | C4 | H41 | 113.1° | 109.6° |
| C3 | C4 | H42 | 110.9° | 109.5° |
| C3 | C4 | H43 | 110.9° | 109.5° |
| H31 | C3 | H32 | 99.4° | 109.4° |
| H41 | C4 | H42 | 110.8° | 109.4° |
| H41 | C4 | H43 | 110.8° | 109.5° |
| H42 | C4 | H43 | 99.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C1 | C2 | H11 | 125.2° | 120.1° |
| N | C1 | C2 | H12 | 125.3° | 119.9° |
| N | C1 | H11 | H12 | 118.6° | 119.9° |
| C1 | N | HN1 | HN2 | 125.3° | 113.9° |
| N | C1 | C2 | C3 | 163.5° | 180.0° |
| N | C1 | C2 | H21 | 71.3° | 59.8° |
| N | C1 | C2 | H22 | 38.2° | 60.1° |
| C2 | C1 | H11 | H12 | 118.5° | 120.0° |
| C2 | C1 | N | HN1 | 180.0° | 179.9° |
| C2 | C1 | N | HN2 | 54.7° | 66.1° |
| C1 | C2 | C3 | H21 | 125.3° | 120.1° |
| C1 | C2 | C3 | H22 | 125.3° | 119.9° |
| C1 | C2 | H21 | H22 | 115.2° | 119.9° |
| C1 | C2 | C3 | C4 | 61.1° | 180.0° |
| C1 | C2 | C3 | H31 | 173.7° | 59.9° |
| C1 | C2 | C3 | H32 | 64.3° | 60.1° |
| H11 | C1 | N | HN1 | 54.8° | 59.9° |
| H11 | C1 | N | HN2 | 179.9° | 173.8° |
| H11 | C1 | C2 | C3 | 38.2° | 59.9° |
| H11 | C1 | C2 | H21 | 163.5° | 179.9° |
| H11 | C1 | C2 | H22 | 87.1° | 60.0° |
| H12 | C1 | N | HN1 | 54.8° | 60.0° |
| H12 | C1 | N | HN2 | 70.5° | 53.8° |
| H12 | C1 | C2 | C3 | 71.3° | 60.1° |
| H12 | C1 | C2 | H21 | 54.0° | 60.1° |
| H12 | C1 | C2 | H22 | 163.4° | 180.0° |
| C3 | C2 | H21 | H22 | 115.1° | 119.9° |
| C2 | C3 | C4 | H31 | 125.3° | 120.1° |
| C2 | C3 | C4 | H32 | 125.3° | 120.0° |
| C2 | C3 | H31 | H32 | 116.7° | 120.0° |
| C2 | C3 | C4 | H41 | 180.0° | 180.0° |
| C2 | C3 | C4 | H42 | 54.8° | 60.0° |
| C2 | C3 | C4 | H43 | 54.8° | 59.9° |
| H21 | C2 | C3 | C4 | 64.3° | 59.9° |
| H21 | C2 | C3 | H31 | 61.0° | 180.0° |
| H21 | C2 | C3 | H32 | 170.4° | 60.1° |
| H22 | C2 | C3 | C4 | 173.7° | 60.0° |
| H22 | C2 | C3 | H31 | 48.4° | 60.0° |
| H22 | C2 | C3 | H32 | 61.0° | 180.0° |
| C4 | C3 | H31 | H32 | 116.7° | 119.9° |
| C3 | C4 | H41 | H42 | 125.2° | 120.0° |
| C3 | C4 | H41 | H43 | 125.2° | 120.1° |
| C3 | C4 | H42 | H43 | 116.8° | 119.9° |
| H31 | C3 | C4 | H41 | 54.7° | 59.9° |
| H31 | C3 | C4 | H42 | 180.0° | 60.1° |
| H31 | C3 | C4 | H43 | 70.5° | NaN° |
| H32 | C3 | C4 | H41 | 54.7° | 60.0° |
| H32 | C3 | C4 | H42 | 70.5° | 180.0° |
| H32 | C3 | C4 | H43 | 179.9° | 60.1° |
| H41 | C4 | H42 | H43 | 116.7° | 120.0° |
