HCT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.61Å | |
| C1 | O1 | doub | 1.21Å | 1.27Å | |
| C1 | O2 | sing | 1.34Å | 1.28Å | |
| C2 | C3 | sing | 1.53Å | 1.61Å | |
| C3 | C4 | sing | 1.53Å | 1.57Å | |
| C3 | C7 | sing | 1.51Å | 1.55Å | |
| C4 | C5 | sing | 1.53Å | 1.56Å | |
| C5 | C6 | sing | 1.51Å | 1.52Å | |
| C6 | O3 | doub | 1.21Å | 1.25Å | |
| C6 | O4 | sing | 1.34Å | 1.25Å | |
| C7 | O5 | sing | 1.34Å | 1.27Å | |
| C7 | O6 | doub | 1.21Å | 1.24Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O1 | 118.7° | 120.0° |
| C2 | C1 | O2 | 118.8° | 120.0° |
| C1 | C2 | C3 | 127.3° | 109.5° |
| C1 | C2 | H2 | 103.9° | 109.4° |
| C1 | C2 | H2A | 99.8° | 109.4° |
| O1 | C1 | O2 | 122.2° | 120.0° |
| C1 | O2 | HO2 | 109.5° | 117.0° |
| C2 | C3 | C4 | 109.3° | 109.4° |
| C2 | C3 | C7 | 122.3° | 109.5° |
| C3 | C2 | H2 | 103.9° | 109.5° |
| C3 | C2 | H2A | 99.8° | 109.5° |
| C2 | C3 | H3 | 97.9° | 109.5° |
| C4 | C3 | C7 | 98.4° | 109.5° |
| C3 | C4 | C5 | 108.4° | 109.4° |
| C4 | C3 | H3 | 121.9° | 109.5° |
| C3 | C4 | H4 | 109.8° | 109.5° |
| C3 | C4 | H4A | 110.0° | 109.5° |
| C3 | C7 | O5 | 119.1° | 120.0° |
| C3 | C7 | O6 | 114.6° | 120.0° |
| C7 | C3 | H3 | 108.9° | 109.5° |
| C4 | C5 | C6 | 119.8° | 109.4° |
| C5 | C4 | H4 | 109.8° | 109.4° |
| C5 | C4 | H4A | 110.0° | 109.4° |
| C4 | C5 | H5 | 106.2° | 109.5° |
| C4 | C5 | H5A | 103.8° | 109.5° |
| C5 | C6 | O3 | 115.1° | 120.0° |
| C5 | C6 | O4 | 117.9° | 120.0° |
| C6 | C5 | H5 | 106.2° | 109.5° |
| C6 | C5 | H5A | 103.7° | 109.5° |
| O3 | C6 | O4 | 127.0° | 120.1° |
| C6 | O4 | HO4 | 109.5° | 117.0° |
| O5 | C7 | O6 | 125.8° | 120.0° |
| C7 | O5 | HO5 | 109.5° | 117.0° |
| H2 | C2 | H2A | 124.8° | 109.5° |
| H4 | C4 | H4A | 108.7° | 109.5° |
| H5 | C5 | H5A | 118.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O1 | O2 | 174.9° | 179.8° |
| C1 | C2 | C3 | H2 | 120.0° | 119.9° |
| C1 | C2 | C3 | H2A | 110.3° | 120.0° |
| C1 | C2 | C3 | C4 | 158.7° | 175.0° |
| C1 | C2 | C3 | C7 | 44.8° | 65.0° |
| C1 | C2 | H2 | H2A | 112.6° | 119.9° |
| C1 | C2 | C3 | H3 | 73.5° | 55.0° |
| C2 | C1 | O2 | HO2 | 174.9° | 180.0° |
| O1 | C1 | C2 | C3 | 68.7° | 0.0° |
| O1 | C1 | C2 | H2 | 171.4° | 120.0° |
| O1 | C1 | C2 | H2A | 41.6° | 120.0° |
| O1 | C1 | O2 | HO2 | 0.0° | 0.2° |
| O2 | C1 | C2 | C3 | 116.2° | 179.7° |
| O2 | C1 | C2 | H2 | 3.7° | 60.3° |
| O2 | C1 | C2 | H2A | 133.5° | 59.7° |
| C2 | C3 | C4 | C7 | 128.6° | 120.0° |
| C2 | C3 | C4 | H3 | 112.9° | 120.0° |
| C2 | C3 | C7 | H3 | 112.8° | 120.0° |
| C2 | C3 | C4 | C5 | 59.8° | 175.0° |
| C2 | C3 | C7 | O5 | 156.8° | 180.0° |
| C2 | C3 | C7 | O6 | 30.5° | 0.0° |
| C3 | C2 | H2 | H2A | 112.6° | 120.1° |
| C2 | C3 | C4 | H4 | 179.8° | 55.1° |
| C2 | C3 | C4 | H4A | 60.6° | 65.0° |
| C4 | C3 | C7 | H3 | 128.0° | 120.0° |
| C3 | C4 | C5 | H4 | 120.0° | 120.0° |
| C3 | C4 | C5 | H4A | 120.4° | 120.0° |
| C3 | C4 | C5 | C6 | 143.0° | 180.0° |
| C4 | C3 | C7 | O5 | 84.0° | 60.0° |
| C4 | C3 | C7 | O6 | 88.8° | 120.0° |
| C4 | C3 | C2 | H2 | 81.3° | 55.1° |
| C4 | C3 | C2 | H2A | 48.4° | 65.0° |
| C3 | C4 | H4 | H4A | 120.4° | 120.1° |
| C3 | C4 | C5 | H5 | 97.0° | 60.0° |
| C3 | C4 | C5 | H5A | 28.0° | 60.0° |
| C7 | C3 | C4 | C5 | 68.8° | 65.0° |
| C3 | C7 | O5 | O6 | 171.9° | 180.0° |
| C7 | C3 | C2 | H2 | 164.8° | 175.0° |
| C7 | C3 | C2 | H2A | 65.5° | 55.0° |
| C7 | C3 | C4 | H4 | 51.2° | 175.1° |
| C7 | C3 | C4 | H4A | 170.8° | 55.0° |
| C3 | C7 | O5 | HO5 | 171.9° | 180.0° |
| C4 | C5 | C6 | H5 | 120.0° | 120.0° |
| C4 | C5 | C6 | H5A | 115.0° | 120.0° |
| C4 | C5 | C6 | O3 | 178.3° | 0.0° |
| C4 | C5 | C6 | O4 | 2.9° | 180.0° |
| C5 | C4 | C3 | H3 | 172.7° | 55.0° |
| C5 | C4 | H4 | H4A | 120.4° | 120.0° |
| C4 | C5 | H5 | H5A | 115.7° | 120.0° |
| C5 | C6 | O3 | O4 | 178.7° | 179.9° |
| C6 | C5 | C4 | H4 | 23.0° | 60.0° |
| C6 | C5 | C4 | H4A | 96.6° | 60.0° |
| C6 | C5 | H5 | H5A | 115.7° | 120.0° |
| C5 | C6 | O4 | HO4 | 178.6° | 180.0° |
| O3 | C6 | C5 | H5 | 61.6° | 120.0° |
| O3 | C6 | C5 | H5A | 63.4° | 120.0° |
| O3 | C6 | O4 | HO4 | 0.0° | 0.0° |
| O4 | C6 | C5 | H5 | 117.1° | 60.0° |
| O4 | C6 | C5 | H5A | 117.9° | 60.0° |
| O5 | C7 | C3 | H3 | 44.0° | 60.0° |
| O6 | C7 | C3 | H3 | 143.2° | 120.0° |
| O6 | C7 | O5 | HO5 | 0.0° | 0.0° |
| H2 | C2 | C3 | H3 | 46.5° | 64.9° |
| H2A | C2 | C3 | H3 | 176.2° | 175.0° |
| H3 | C3 | C4 | H4 | 67.3° | 64.9° |
| H3 | C3 | C4 | H4A | 52.2° | 175.0° |
| H4 | C4 | C5 | H5 | 143.0° | 180.0° |
| H4 | C4 | C5 | H5A | 92.0° | 60.0° |
| H4A | C4 | C5 | H5 | 23.4° | 60.0° |
| H4A | C4 | C5 | H5A | 148.4° | 180.0° |
