NTB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C | sing | 1.47Å | 1.45Å | |
| N | HN1 | sing | 1.01Å | 1.00Å | |
| N | HN2 | sing | 1.01Å | 1.00Å | |
| C | C1 | sing | 1.53Å | 1.51Å | |
| C | C2 | sing | 1.53Å | 1.51Å | |
| C | C3 | sing | 1.53Å | 1.53Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C2 | H23 | sing | 1.09Å | 1.10Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C3 | H33 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | N | HN1 | 109.5° | 106.7° |
| C | N | HN2 | 109.5° | 106.7° |
| N | C | C1 | 105.9° | 109.5° |
| N | C | C2 | 111.1° | 109.5° |
| N | C | C3 | 112.2° | 109.5° |
| HN1 | N | HN2 | 109.5° | 106.7° |
| C1 | C | C2 | 107.0° | 109.5° |
| C1 | C | C3 | 109.1° | 109.5° |
| C | C1 | H11 | 109.5° | 109.5° |
| C | C1 | H12 | 109.4° | 109.5° |
| C | C1 | H13 | 109.5° | 109.5° |
| C2 | C | C3 | 111.2° | 109.5° |
| C | C2 | H21 | 109.5° | 109.5° |
| C | C2 | H22 | 109.4° | 109.4° |
| C | C2 | H23 | 109.5° | 109.4° |
| C | C3 | H31 | 109.4° | 109.5° |
| C | C3 | H32 | 109.4° | 109.4° |
| C | C3 | H33 | 109.5° | 109.4° |
| H11 | C1 | H12 | 109.5° | 109.4° |
| H11 | C1 | H13 | 109.5° | 109.5° |
| H12 | C1 | H13 | 109.5° | 109.4° |
| H21 | C2 | H22 | 109.5° | 109.5° |
| H21 | C2 | H23 | 109.5° | 109.5° |
| H22 | C2 | H23 | 109.5° | 109.5° |
| H31 | C3 | H32 | 109.5° | 109.5° |
| H31 | C3 | H33 | 109.5° | 109.5° |
| H32 | C3 | H33 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | N | HN1 | HN2 | 120.0° | 113.8° |
| N | C | C1 | C2 | 118.7° | 120.0° |
| N | C | C1 | C3 | 120.9° | 120.0° |
| N | C | C2 | C3 | 125.7° | 120.0° |
| N | C | C1 | H11 | 171.0° | 60.0° |
| N | C | C1 | H12 | 69.0° | 60.0° |
| N | C | C1 | H13 | 51.0° | 180.0° |
| N | C | C2 | H21 | 110.2° | 180.0° |
| N | C | C2 | H22 | 9.8° | 60.0° |
| N | C | C2 | H23 | 129.8° | 60.0° |
| N | C | C3 | H31 | 55.5° | 60.0° |
| N | C | C3 | H32 | 175.5° | 60.0° |
| N | C | C3 | H33 | 64.5° | 180.0° |
| HN1 | N | C | C1 | 26.4° | 66.2° |
| HN1 | N | C | C2 | 89.5° | 53.8° |
| HN1 | N | C | C3 | 145.3° | 173.8° |
| HN2 | N | C | C1 | 146.4° | 180.0° |
| HN2 | N | C | C2 | 30.5° | 60.0° |
| HN2 | N | C | C3 | 94.7° | 60.0° |
| C1 | C | C2 | C3 | 119.1° | 120.0° |
| C | C1 | H11 | H12 | 120.0° | 120.0° |
| C | C1 | H11 | H13 | 120.0° | 120.0° |
| C | C1 | H12 | H13 | 120.0° | 120.0° |
| C1 | C | C2 | H21 | 134.6° | 60.0° |
| C1 | C | C2 | H22 | 105.4° | 180.0° |
| C1 | C | C2 | H23 | 14.6° | 60.0° |
| C1 | C | C3 | H31 | 172.5° | 60.0° |
| C1 | C | C3 | H32 | 67.5° | 180.0° |
| C1 | C | C3 | H33 | 52.5° | 60.1° |
| C2 | C | C1 | H11 | 70.3° | 60.0° |
| C2 | C | C1 | H12 | 49.7° | 180.0° |
| C2 | C | C1 | H13 | 169.7° | 60.0° |
| C | C2 | H21 | H22 | 120.0° | 120.0° |
| C | C2 | H21 | H23 | 120.0° | 119.9° |
| C | C2 | H22 | H23 | 120.0° | 120.0° |
| C2 | C | C3 | H31 | 69.7° | 180.0° |
| C2 | C | C3 | H32 | 50.4° | 60.0° |
| C2 | C | C3 | H33 | 170.4° | 59.9° |
| C3 | C | C1 | H11 | 50.1° | 180.0° |
| C3 | C | C1 | H12 | 170.1° | 60.0° |
| C3 | C | C1 | H13 | 69.9° | 60.0° |
| C3 | C | C2 | H21 | 15.6° | 60.0° |
| C3 | C | C2 | H22 | 135.5° | 60.0° |
| C3 | C | C2 | H23 | 104.5° | 180.0° |
| C | C3 | H31 | H32 | 120.0° | 120.0° |
| C | C3 | H31 | H33 | 120.0° | 120.0° |
| C | C3 | H32 | H33 | 120.0° | 119.9° |
| H11 | C1 | H12 | H13 | 120.0° | 119.9° |
| H21 | C2 | H22 | H23 | 120.0° | 120.0° |
| H31 | C3 | H32 | H33 | 120.0° | 120.1° |
