MFB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | O1 | sing | 1.43Å | 1.40Å | |
| C1 | O5 | sing | 1.43Å | 1.42Å | |
| C1 | H1 | sing | 1.10Å | 1.11Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | O2 | sing | 1.43Å | 1.41Å | |
| C2 | H2 | sing | 1.10Å | 1.12Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | O3 | sing | 1.42Å | 1.42Å | |
| C3 | H3 | sing | 1.10Å | 1.11Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | O4 | sing | 1.43Å | 1.42Å | |
| C4 | H4 | sing | 1.10Å | 1.12Å | |
| C5 | C6 | sing | 1.52Å | 1.52Å | |
| C5 | O5 | sing | 1.43Å | 1.45Å | |
| C5 | H5 | sing | 1.10Å | 1.12Å | |
| C6 | H61 | sing | 1.09Å | 1.11Å | |
| C6 | H62 | sing | 1.09Å | 1.11Å | |
| C6 | H63 | sing | 1.09Å | 1.12Å | |
| O1 | CM | sing | 1.42Å | 48.74Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| CM | HM1 | sing | 1.09Å | 1.11Å | |
| CM | HM2 | sing | 1.09Å | 1.11Å | |
| CM | HM3 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O1 | 109.8° | 109.9° |
| C2 | C1 | O5 | 109.5° | 111.1° |
| C2 | C1 | H1 | 110.2° | 110.8° |
| C1 | C2 | C3 | 109.9° | 110.7° |
| C1 | C2 | O2 | 109.8° | 109.3° |
| C1 | C2 | H2 | 108.9° | 111.2° |
| O1 | C1 | O5 | 112.2° | 109.9° |
| O1 | C1 | H1 | 107.4° | 106.0° |
| C1 | O1 | CM | 54.2° | 111.3° |
| O5 | C1 | H1 | 107.6° | 109.0° |
| C1 | O5 | C5 | 114.1° | 113.1° |
| C3 | C2 | O2 | 109.3° | 108.4° |
| C3 | C2 | H2 | 109.5° | 110.0° |
| C2 | C3 | C4 | 109.6° | 111.0° |
| C2 | C3 | O3 | 109.4° | 110.2° |
| C2 | C3 | H3 | 109.6° | 109.8° |
| O2 | C2 | H2 | 109.5° | 107.0° |
| C2 | O2 | HO2 | 109.8° | 106.4° |
| C4 | C3 | O3 | 109.8° | 109.3° |
| C4 | C3 | H3 | 109.1° | 109.6° |
| C3 | C4 | C5 | 109.2° | 109.8° |
| C3 | C4 | O4 | 109.3° | 109.7° |
| C3 | C4 | H4 | 109.9° | 110.3° |
| O3 | C3 | H3 | 109.3° | 106.9° |
| C3 | O3 | HO3 | 109.4° | 106.6° |
| C5 | C4 | O4 | 109.9° | 109.0° |
| C5 | C4 | H4 | 109.3° | 110.9° |
| C4 | C5 | C6 | 113.4° | 112.4° |
| C4 | C5 | O5 | 109.9° | 109.8° |
| C4 | C5 | H5 | 105.8° | 110.1° |
| O4 | C4 | H4 | 109.2° | 107.1° |
| C4 | O4 | HO4 | 109.3° | 106.3° |
| C6 | C5 | O5 | 107.4° | 107.3° |
| C6 | C5 | H5 | 108.4° | 108.4° |
| C5 | C6 | H61 | 113.3° | 110.6° |
| C5 | C6 | H62 | 110.8° | 110.6° |
| C5 | C6 | H63 | 110.7° | 110.5° |
| O5 | C5 | H5 | 112.0° | 108.6° |
| H61 | C6 | H62 | 110.8° | 108.3° |
| H61 | C6 | H63 | 110.8° | 108.3° |
| H62 | C6 | H63 | 99.5° | 108.3° |
| O1 | CM | HM1 | 54.1° | 109.5° |
| O1 | CM | HM2 | 138.5° | 109.6° |
| O1 | CM | HM3 | 138.5° | 109.0° |
| HM1 | CM | HM2 | 138.4° | 110.1° |
| HM1 | CM | HM3 | 138.5° | 109.3° |
| HM2 | CM | HM3 | 65.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O1 | O5 | 122.0° | 122.6° |
| C2 | C1 | O1 | H1 | 119.9° | 119.8° |
| C2 | C1 | O5 | H1 | 119.8° | 122.4° |
| C1 | C2 | C3 | O2 | 120.5° | 119.9° |
| C1 | C2 | C3 | H2 | 119.5° | 123.3° |
| C1 | C2 | O2 | H2 | 119.5° | 120.6° |
| C1 | C2 | C3 | C4 | 56.9° | 50.6° |
| C1 | C2 | C3 | O3 | 177.3° | 171.8° |
| C1 | C2 | C3 | H3 | 62.8° | 70.8° |
| C2 | C1 | O5 | C5 | 60.3° | 60.4° |
| C2 | C1 | O1 | CM | 51.3° | 180.0° |
| C1 | C2 | O2 | HO2 | 180.0° | 141.6° |
| O1 | C1 | O5 | H1 | 118.0° | 115.7° |
| O1 | C1 | C2 | C3 | 178.5° | 175.2° |
| O1 | C1 | C2 | O2 | 58.3° | 65.4° |
| O1 | C1 | C2 | H2 | 61.6° | 52.6° |
| O1 | C1 | O5 | C5 | 177.5° | 177.7° |
| C1 | O1 | CM | HM1 | 180.0° | 83.4° |
| C1 | O1 | CM | HM2 | 54.8° | 37.4° |
| C1 | O1 | CM | HM3 | 54.7° | 157.0° |
| O5 | C1 | C2 | C3 | 57.8° | 53.4° |
| O5 | C1 | C2 | O2 | 178.0° | 172.7° |
| O5 | C1 | C2 | H2 | 62.0° | 69.3° |
| C1 | O5 | C5 | C4 | 59.8° | 62.3° |
| C1 | O5 | C5 | C6 | 176.5° | 175.2° |
| C1 | O5 | C5 | H5 | 57.6° | 58.2° |
| O5 | C1 | O1 | CM | 70.8° | 57.4° |
| H1 | C1 | C2 | C3 | 60.4° | 68.0° |
| H1 | C1 | C2 | O2 | 59.8° | 51.4° |
| H1 | C1 | C2 | H2 | 179.7° | 169.4° |
| H1 | C1 | O5 | C5 | 59.5° | 62.1° |
| H1 | C1 | O1 | CM | 171.2° | 60.2° |
| C3 | C2 | O2 | H2 | 119.9° | 118.7° |
| C2 | C3 | C4 | O3 | 120.1° | 121.7° |
| C2 | C3 | C4 | H3 | 120.0° | 121.5° |
| C2 | C3 | O3 | H3 | 120.1° | 119.2° |
| C2 | C3 | C4 | C5 | 55.9° | 52.7° |
| C2 | C3 | C4 | O4 | 64.4° | 67.1° |
| C2 | C3 | C4 | H4 | 175.8° | 175.2° |
| C3 | C2 | O2 | HO2 | 59.4° | 20.9° |
| C2 | C3 | O3 | HO3 | 180.0° | 74.1° |
| O2 | C2 | C3 | C4 | 177.5° | 170.5° |
| O2 | C2 | C3 | O3 | 62.1° | 68.3° |
| O2 | C2 | C3 | H3 | 57.7° | 49.1° |
| H2 | C2 | C3 | C4 | 62.6° | 72.7° |
| H2 | C2 | C3 | O3 | 57.8° | 48.4° |
| H2 | C2 | C3 | H3 | 177.7° | 165.9° |
| H2 | C2 | O2 | HO2 | 60.5° | 97.8° |
| C4 | C3 | O3 | H3 | 119.7° | 118.5° |
| C3 | C4 | C5 | O4 | 119.9° | 120.2° |
| C3 | C4 | C5 | H4 | 120.3° | 122.2° |
| C3 | C4 | O4 | H4 | 120.2° | 119.7° |
| C3 | C4 | C5 | C6 | 176.0° | 176.8° |
| C3 | C4 | C5 | O5 | 55.9° | 57.3° |
| C3 | C4 | C5 | H5 | 65.3° | 62.3° |
| C4 | C3 | O3 | HO3 | 59.7° | 48.2° |
| C3 | C4 | O4 | HO4 | 179.9° | 63.8° |
| O3 | C3 | C4 | C5 | 176.0° | 174.4° |
| O3 | C3 | C4 | O4 | 55.8° | 54.6° |
| O3 | C3 | C4 | H4 | 64.0° | 63.1° |
| H3 | C3 | C4 | C5 | 64.2° | 68.8° |
| H3 | C3 | C4 | O4 | 175.6° | 171.4° |
| H3 | C3 | C4 | H4 | 55.8° | 53.7° |
| H3 | C3 | O3 | HO3 | 60.0° | 166.7° |
| C5 | C4 | O4 | H4 | 119.9° | 120.0° |
| C4 | C5 | C6 | O5 | 121.6° | 120.9° |
| C4 | C5 | C6 | H5 | 117.2° | 122.0° |
| C4 | C5 | O5 | H5 | 117.4° | 120.5° |
| C4 | C5 | C6 | H61 | 180.0° | 143.1° |
| C4 | C5 | C6 | H62 | 54.7° | 96.8° |
| C4 | C5 | C6 | H63 | 54.8° | 23.1° |
| C5 | C4 | O4 | HO4 | 60.2° | 56.5° |
| O4 | C4 | C5 | C6 | 56.1° | 56.6° |
| O4 | C4 | C5 | O5 | 64.0° | 62.8° |
| O4 | C4 | C5 | H5 | 174.8° | 177.6° |
| H4 | C4 | C5 | C6 | 63.7° | 61.0° |
| H4 | C4 | C5 | O5 | 176.1° | 179.6° |
| H4 | C4 | C5 | H5 | 55.0° | 60.0° |
| H4 | C4 | O4 | HO4 | 59.7° | 176.5° |
| C6 | C5 | O5 | H5 | 118.9° | 117.0° |
| C5 | C6 | H61 | H62 | 125.3° | 121.4° |
| C5 | C6 | H61 | H63 | 125.2° | 121.3° |
| C5 | C6 | H62 | H63 | 116.6° | 121.3° |
| O5 | C5 | C6 | H61 | 58.5° | 96.0° |
| O5 | C5 | C6 | H62 | 66.9° | 24.1° |
| O5 | C5 | C6 | H63 | 176.3° | 144.0° |
| H5 | C5 | C6 | H61 | 62.8° | 21.2° |
| H5 | C5 | C6 | H62 | 171.9° | 141.2° |
| H5 | C5 | C6 | H63 | 62.4° | 98.8° |
| H61 | C6 | H62 | H63 | 116.7° | 117.3° |
| O1 | CM | HM1 | HM2 | 125.3° | 120.5° |
| O1 | CM | HM1 | HM3 | 125.3° | 119.3° |
| O1 | CM | HM2 | HM3 | 136.6° | 119.4° |
| HM1 | CM | HM2 | HM3 | 136.7° | 120.2° |
