BMD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | C2 | sing | 1.53Å | 1.55Å | |
| C3 | H33 | sing | 1.09Å | 1.12Å | |
| C3 | H32 | sing | 1.09Å | 1.12Å | |
| C3 | H31 | sing | 1.09Å | 1.11Å | |
| C2 | C1 | sing | 1.53Å | 1.50Å | |
| C2 | H22 | sing | 1.09Å | 1.12Å | |
| C2 | H21 | sing | 1.09Å | 1.11Å | |
| C1 | CA | sing | 1.51Å | 1.54Å | |
| C1 | H12 | sing | 1.09Å | 1.11Å | |
| C1 | H11 | sing | 1.09Å | 1.11Å | |
| CA | OA | doub | 1.21Å | 1.24Å | |
| CA | NA | sing | 1.35Å | 1.34Å | |
| NA | HN1 | sing | 0.97Å | 1.02Å | |
| NA | HN2 | sing | 0.97Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C3 | H33 | 114.7° | 109.5° |
| C2 | C3 | H32 | 110.3° | 109.5° |
| C2 | C3 | H31 | 110.3° | 109.5° |
| C3 | C2 | C1 | 114.8° | 109.5° |
| C3 | C2 | H22 | 110.3° | 109.5° |
| C3 | C2 | H21 | 110.3° | 109.5° |
| H33 | C3 | H32 | 110.3° | 109.4° |
| H33 | C3 | H31 | 110.3° | 109.5° |
| H32 | C3 | H31 | 100.0° | 109.4° |
| C1 | C2 | H22 | 110.3° | 109.4° |
| C1 | C2 | H21 | 110.3° | 109.4° |
| C2 | C1 | CA | 121.2° | 109.5° |
| C2 | C1 | H12 | 108.0° | 109.5° |
| C2 | C1 | H11 | 108.0° | 109.5° |
| H22 | C2 | H21 | 99.9° | 109.5° |
| CA | C1 | H12 | 108.0° | 109.4° |
| CA | C1 | H11 | 108.0° | 109.4° |
| C1 | CA | OA | 125.1° | 120.0° |
| C1 | CA | NA | 115.1° | 120.0° |
| H12 | C1 | H11 | 101.9° | 109.5° |
| OA | CA | NA | 119.1° | 120.0° |
| CA | NA | HN1 | 119.1° | 120.0° |
| CA | NA | HN2 | 115.0° | 120.0° |
| HN1 | NA | HN2 | 125.2° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C3 | H33 | H32 | 125.2° | 120.1° |
| C2 | C3 | H33 | H31 | 125.2° | 120.0° |
| C2 | C3 | H32 | H31 | 116.1° | 120.0° |
| C3 | C2 | C1 | H22 | 125.3° | 120.0° |
| C3 | C2 | C1 | H21 | 125.3° | 120.0° |
| C3 | C2 | H22 | H21 | 116.1° | 120.0° |
| C3 | C2 | C1 | CA | 168.5° | 180.0° |
| C3 | C2 | C1 | H12 | 66.3° | 60.0° |
| C3 | C2 | C1 | H11 | 43.3° | 60.0° |
| H33 | C3 | H32 | H31 | 116.2° | 120.0° |
| H33 | C3 | C2 | C1 | 180.0° | 60.0° |
| H33 | C3 | C2 | H22 | 54.7° | 180.0° |
| H33 | C3 | C2 | H21 | 54.7° | 60.0° |
| H32 | C3 | C2 | C1 | 54.8° | 180.0° |
| H32 | C3 | C2 | H22 | 70.5° | 60.0° |
| H32 | C3 | C2 | H21 | 180.0° | 60.0° |
| H31 | C3 | C2 | C1 | 54.7° | 60.0° |
| H31 | C3 | C2 | H22 | 180.0° | 60.0° |
| H31 | C3 | C2 | H21 | 70.5° | 180.0° |
| C1 | C2 | H22 | H21 | 116.1° | 120.0° |
| C2 | C1 | CA | H12 | 125.2° | 120.0° |
| C2 | C1 | CA | H11 | 125.2° | 120.0° |
| C2 | C1 | H12 | H11 | 113.7° | 120.0° |
| C2 | C1 | CA | OA | 5.5° | 0.0° |
| C2 | C1 | CA | NA | 175.5° | 180.0° |
| H22 | C2 | C1 | CA | 43.2° | 60.0° |
| H22 | C2 | C1 | H12 | 168.4° | 180.0° |
| H22 | C2 | C1 | H11 | 82.0° | 60.0° |
| H21 | C2 | C1 | CA | 66.2° | 60.0° |
| H21 | C2 | C1 | H12 | 59.0° | 60.0° |
| H21 | C2 | C1 | H11 | 168.6° | 180.0° |
| CA | C1 | H12 | H11 | 113.6° | 119.9° |
| C1 | CA | OA | NA | 169.6° | 180.0° |
| C1 | CA | NA | HN1 | 9.4° | 180.0° |
| C1 | CA | NA | HN2 | 180.0° | 0.0° |
| H12 | C1 | CA | OA | 119.7° | 120.0° |
| H12 | C1 | CA | NA | 50.3° | 60.0° |
| H11 | C1 | CA | OA | 130.8° | 120.0° |
| H11 | C1 | CA | NA | 59.3° | 60.0° |
| OA | CA | NA | HN1 | 180.0° | 0.0° |
| OA | CA | NA | HN2 | 9.4° | 180.0° |
| CA | NA | HN1 | HN2 | 169.5° | 180.0° |
