MFW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C1 | sing | 1.55Å | 1.54Å | |
| C5 | C4 | sing | 1.52Å | 1.45Å | |
| O1 | C4 | doub | 1.21Å | 1.38Å | |
| C1 | C2 | sing | 1.55Å | 1.51Å | |
| C4 | C3 | sing | 1.51Å | 1.48Å | |
| C3 | C2 | sing | 1.54Å | 1.51Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C5 | C4 | 100.8° | 104.4° |
| C5 | C1 | C2 | 102.9° | 102.4° |
| C5 | C1 | H1 | 111.1° | 110.9° |
| C5 | C1 | H2 | 111.1° | 111.0° |
| C1 | C5 | H9 | 111.6° | 110.4° |
| C1 | C5 | H10 | 111.6° | 110.5° |
| C5 | C4 | O1 | 109.8° | 126.4° |
| C5 | C4 | C3 | 104.7° | 107.4° |
| C4 | C5 | H9 | 111.6° | 110.4° |
| C4 | C5 | H10 | 111.6° | 110.5° |
| O1 | C4 | C3 | 110.2° | 126.3° |
| C1 | C2 | C3 | 106.8° | 103.8° |
| C2 | C1 | H1 | 111.1° | 110.8° |
| C2 | C1 | H2 | 111.1° | 110.8° |
| C1 | C2 | H4 | 110.1° | 110.6° |
| C1 | C2 | H5 | 110.1° | 110.5° |
| C4 | C3 | C2 | 103.6° | 106.8° |
| C4 | C3 | H6 | 110.9° | 110.0° |
| C4 | C3 | H7 | 110.9° | 110.0° |
| C3 | C2 | H4 | 110.1° | 110.6° |
| C3 | C2 | H5 | 110.1° | 110.7° |
| C2 | C3 | H6 | 110.9° | 110.0° |
| C2 | C3 | H7 | 110.9° | 110.0° |
| H1 | C1 | H2 | 109.5° | 110.7° |
| H4 | C2 | H5 | 109.5° | 110.5° |
| H6 | C3 | H7 | 109.5° | 110.0° |
| H9 | C5 | H10 | 109.5° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C5 | C4 | H9 | 118.6° | 118.7° |
| C1 | C5 | C4 | H10 | 118.6° | 118.8° |
| C1 | C5 | C4 | O1 | 164.7° | 156.2° |
| C5 | C1 | C2 | H1 | 119.0° | 118.3° |
| C5 | C1 | C2 | H2 | 118.9° | 118.4° |
| C1 | C5 | C4 | C3 | 46.4° | 23.7° |
| C5 | C1 | C2 | C3 | 16.2° | 37.0° |
| C5 | C1 | H1 | H2 | 123.0° | 123.6° |
| C5 | C1 | C2 | H4 | 103.4° | 155.7° |
| C5 | C1 | C2 | H5 | 135.8° | 81.7° |
| C1 | C5 | H9 | H10 | 124.0° | 122.5° |
| C5 | C4 | O1 | C3 | 114.8° | 179.9° |
| C4 | C5 | C1 | C2 | 38.0° | 37.6° |
| C5 | C4 | C3 | C2 | 36.5° | 0.3° |
| C4 | C5 | C1 | H1 | 156.9° | 155.8° |
| C4 | C5 | C1 | H2 | 81.0° | 80.7° |
| C5 | C4 | C3 | H6 | 155.6° | 119.7° |
| C5 | C4 | C3 | H7 | 82.6° | 119.0° |
| C4 | C5 | H9 | H10 | 124.0° | 122.5° |
| O1 | C4 | C3 | C2 | 154.5° | 179.6° |
| O1 | C4 | C3 | H6 | 86.4° | 60.3° |
| O1 | C4 | C3 | H7 | 35.5° | 61.1° |
| O1 | C4 | C5 | H9 | 76.7° | 85.2° |
| O1 | C4 | C5 | H10 | 46.1° | 37.4° |
| C1 | C2 | C3 | C4 | 11.2° | 23.1° |
| C1 | C2 | C3 | H4 | 119.6° | 118.6° |
| C1 | C2 | C3 | H5 | 119.6° | 118.6° |
| C2 | C1 | H1 | H2 | 123.0° | 123.4° |
| C1 | C2 | H4 | H5 | 121.2° | 122.7° |
| C1 | C2 | C3 | H6 | 130.3° | 96.2° |
| C1 | C2 | C3 | H7 | 107.8° | 142.4° |
| C2 | C1 | C5 | H9 | 156.6° | 81.1° |
| C2 | C1 | C5 | H10 | 80.6° | 156.3° |
| C4 | C3 | C2 | H6 | 119.0° | 119.3° |
| C4 | C3 | C2 | H7 | 119.1° | 119.4° |
| C4 | C3 | C2 | H4 | 130.8° | 141.7° |
| C4 | C3 | C2 | H5 | 108.4° | 95.5° |
| C4 | C3 | H6 | H7 | 122.7° | 121.3° |
| C3 | C4 | C5 | H9 | 165.0° | 94.9° |
| C3 | C4 | C5 | H10 | 72.2° | 142.5° |
| C3 | C2 | C1 | H1 | 135.1° | 155.3° |
| C3 | C2 | C1 | H2 | 102.8° | 81.4° |
| C3 | C2 | H4 | H5 | 121.2° | 122.9° |
| C2 | C3 | H6 | H7 | 122.8° | 121.3° |
| H1 | C1 | C2 | H4 | 15.5° | 86.1° |
| H1 | C1 | C2 | H5 | 105.3° | 36.6° |
| H1 | C1 | C5 | H9 | 84.4° | 37.1° |
| H1 | C1 | C5 | H10 | 38.4° | 85.4° |
| H2 | C1 | C2 | H4 | 137.7° | 37.3° |
| H2 | C1 | C2 | H5 | 16.8° | 159.9° |
| H2 | C1 | C5 | H9 | 37.7° | 160.6° |
| H2 | C1 | C5 | H10 | 160.5° | 38.1° |
| H4 | C2 | C3 | H6 | 110.2° | 22.4° |
| H4 | C2 | C3 | H7 | 11.8° | 98.9° |
| H5 | C2 | C3 | H6 | 10.7° | 145.2° |
| H5 | C2 | C3 | H7 | 132.6° | 23.9° |
