MIC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.28Å | |
| C1 | O2 | sing | 1.34Å | 1.23Å | |
| C1 | C2 | sing | 1.51Å | 1.55Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C2 | CM2 | sing | 1.53Å | 1.50Å | |
| C2 | O7 | sing | 1.43Å | 1.41Å | |
| C2 | C3 | sing | 1.53Å | 1.56Å | |
| CM2 | HM21 | sing | 1.09Å | 1.11Å | |
| CM2 | HM22 | sing | 1.09Å | 1.12Å | |
| CM2 | HM23 | sing | 1.09Å | 1.11Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å | |
| C3 | C4 | sing | 1.53Å | 1.49Å | |
| C3 | C6 | sing | 1.51Å | 1.57Å | |
| C3 | H3 | sing | 1.09Å | 1.11Å | |
| C4 | C5 | sing | 1.51Å | 1.46Å | |
| C4 | H41 | sing | 1.09Å | 1.11Å | |
| C4 | H42 | sing | 1.09Å | 1.12Å | |
| C5 | O3 | doub | 1.21Å | 1.23Å | |
| C5 | O4 | sing | 1.34Å | 1.25Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C6 | O5 | doub | 1.21Å | 1.23Å | |
| C6 | O6 | sing | 1.34Å | 1.24Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | O2 | 120.6° | 120.0° |
| O1 | C1 | C2 | 122.6° | 120.0° |
| O2 | C1 | C2 | 116.9° | 120.0° |
| C1 | O2 | HO2 | 120.6° | 120.0° |
| C1 | C2 | CM2 | 108.7° | 109.5° |
| C1 | C2 | O7 | 112.8° | 109.5° |
| C1 | C2 | C3 | 105.9° | 109.5° |
| CM2 | C2 | O7 | 102.4° | 109.4° |
| CM2 | C2 | C3 | 117.9° | 109.5° |
| C2 | CM2 | HM21 | 108.7° | 109.4° |
| C2 | CM2 | HM22 | 112.5° | 109.5° |
| C2 | CM2 | HM23 | 112.5° | 109.5° |
| O7 | C2 | C3 | 109.4° | 109.5° |
| C2 | O7 | HO7 | 112.8° | 106.8° |
| C2 | C3 | C4 | 120.8° | 109.5° |
| C2 | C3 | C6 | 120.2° | 109.5° |
| C2 | C3 | H3 | 88.6° | 109.5° |
| HM21 | CM2 | HM22 | 112.5° | 109.4° |
| HM21 | CM2 | HM23 | 112.6° | 109.5° |
| HM22 | CM2 | HM23 | 97.9° | 109.5° |
| C4 | C3 | C6 | 108.3° | 109.5° |
| C4 | C3 | H3 | 107.4° | 109.5° |
| C3 | C4 | C5 | 113.6° | 109.5° |
| C3 | C4 | H41 | 110.7° | 109.4° |
| C3 | C4 | H42 | 110.7° | 109.5° |
| C6 | C3 | H3 | 108.2° | 109.5° |
| C3 | C6 | O5 | 120.8° | 120.0° |
| C3 | C6 | O6 | 122.6° | 120.0° |
| C5 | C4 | H41 | 110.7° | 109.4° |
| C5 | C4 | H42 | 110.7° | 109.5° |
| C4 | C5 | O3 | 122.9° | 119.9° |
| C4 | C5 | O4 | 117.5° | 120.0° |
| H41 | C4 | H42 | 99.6° | 109.5° |
| O3 | C5 | O4 | 119.4° | 120.0° |
| C5 | O4 | HO4 | 117.5° | 120.1° |
| O5 | C6 | O6 | 116.5° | 120.0° |
| C6 | O6 | HO6 | 122.7° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | O2 | C2 | 179.2° | 180.0° |
| O1 | C1 | O2 | HO2 | 180.0° | 0.0° |
| O1 | C1 | C2 | CM2 | 73.9° | 120.0° |
| O1 | C1 | C2 | O7 | 173.2° | 0.0° |
| O1 | C1 | C2 | C3 | 53.6° | 120.0° |
| O2 | C1 | C2 | CM2 | 106.9° | 60.0° |
| O2 | C1 | C2 | O7 | 6.0° | 180.0° |
| O2 | C1 | C2 | C3 | 125.6° | 60.0° |
| C2 | C1 | O2 | HO2 | 0.7° | 180.0° |
| C1 | C2 | CM2 | O7 | 119.6° | 120.0° |
| C1 | C2 | CM2 | C3 | 120.4° | 120.0° |
| C1 | C2 | O7 | C3 | 117.6° | 120.0° |
| C1 | C2 | CM2 | HM21 | 180.0° | 60.0° |
| C1 | C2 | CM2 | HM22 | 54.8° | 180.0° |
| C1 | C2 | CM2 | HM23 | 54.7° | 60.0° |
| C1 | C2 | O7 | HO7 | 180.0° | 60.1° |
| C1 | C2 | C3 | C4 | 168.1° | 180.0° |
| C1 | C2 | C3 | C6 | 51.6° | 60.0° |
| C1 | C2 | C3 | H3 | 58.7° | 60.0° |
| CM2 | C2 | O7 | C3 | 125.8° | 120.0° |
| C2 | CM2 | HM21 | HM22 | 125.2° | 120.0° |
| C2 | CM2 | HM21 | HM23 | 125.3° | 120.0° |
| C2 | CM2 | HM22 | HM23 | 118.4° | 120.0° |
| CM2 | C2 | O7 | HO7 | 63.4° | 180.0° |
| CM2 | C2 | C3 | C4 | 46.3° | 60.0° |
| CM2 | C2 | C3 | C6 | 173.4° | 180.0° |
| CM2 | C2 | C3 | H3 | 63.1° | 60.0° |
| O7 | C2 | CM2 | HM21 | 60.4° | 180.0° |
| O7 | C2 | CM2 | HM22 | 64.8° | 60.1° |
| O7 | C2 | CM2 | HM23 | 174.3° | 60.0° |
| O7 | C2 | C3 | C4 | 70.0° | 60.0° |
| O7 | C2 | C3 | C6 | 70.3° | 60.0° |
| O7 | C2 | C3 | H3 | 179.4° | 180.0° |
| C3 | C2 | CM2 | HM21 | 59.7° | 60.0° |
| C3 | C2 | CM2 | HM22 | 175.1° | 59.9° |
| C3 | C2 | CM2 | HM23 | 65.7° | 180.0° |
| C3 | C2 | O7 | HO7 | 62.4° | 60.0° |
| C2 | C3 | C4 | C6 | 144.4° | 120.0° |
| C2 | C3 | C4 | H3 | 98.9° | 120.0° |
| C2 | C3 | C6 | H3 | 99.2° | 120.0° |
| C2 | C3 | C4 | C5 | 70.5° | 172.6° |
| C2 | C3 | C4 | H41 | 164.2° | 67.4° |
| C2 | C3 | C4 | H42 | 54.8° | 52.6° |
| C2 | C3 | C6 | O5 | 166.1° | 0.3° |
| C2 | C3 | C6 | O6 | 13.6° | 179.8° |
| HM21 | CM2 | HM22 | HM23 | 118.5° | 120.0° |
| C4 | C3 | C6 | H3 | 116.1° | 120.0° |
| C3 | C4 | C5 | H41 | 125.3° | 120.0° |
| C3 | C4 | C5 | H42 | 125.2° | 120.0° |
| C3 | C4 | H41 | H42 | 116.5° | 120.0° |
| C3 | C4 | C5 | O3 | 47.4° | 8.3° |
| C3 | C4 | C5 | O4 | 127.8° | 171.8° |
| C4 | C3 | C6 | O5 | 21.5° | 119.7° |
| C4 | C3 | C6 | O6 | 158.3° | 60.2° |
| C6 | C3 | C4 | C5 | 145.1° | 67.4° |
| C6 | C3 | C4 | H41 | 19.8° | 52.6° |
| C6 | C3 | C4 | H42 | 89.7° | 172.6° |
| C3 | C6 | O5 | O6 | 179.8° | 179.9° |
| C3 | C6 | O6 | HO6 | 180.0° | 180.0° |
| H3 | C3 | C4 | C5 | 28.4° | 52.6° |
| H3 | C3 | C4 | H41 | 96.9° | 172.6° |
| H3 | C3 | C4 | H42 | 153.7° | 67.4° |
| H3 | C3 | C6 | O5 | 94.6° | 120.3° |
| H3 | C3 | C6 | O6 | 85.6° | 59.8° |
| C5 | C4 | H41 | H42 | 116.6° | 120.0° |
| C4 | C5 | O3 | O4 | 175.1° | 179.9° |
| C4 | C5 | O4 | HO4 | 180.0° | 180.0° |
| H41 | C4 | C5 | O3 | 77.9° | 128.2° |
| H41 | C4 | C5 | O4 | 106.9° | 51.8° |
| H42 | C4 | C5 | O3 | 172.6° | 111.7° |
| H42 | C4 | C5 | O4 | 2.6° | 68.2° |
| O3 | C5 | O4 | HO4 | 4.6° | 0.1° |
| O5 | C6 | O6 | HO6 | 0.2° | 0.1° |
