HCI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.22Å | |
| C1 | O2 | sing | 1.34Å | 1.29Å | |
| C1 | C2 | sing | 1.51Å | 1.56Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C2 | C3 | sing | 1.53Å | 1.57Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | C1' | sing | 1.51Å | 1.52Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C1' | C2' | doub | 1.38Å | 1.40Å | Aromatic |
| C1' | C6' | sing | 1.38Å | 1.40Å | Aromatic |
| C2' | C3' | sing | 1.38Å | 1.40Å | Aromatic |
| C2' | H2' | sing | 1.08Å | 1.08Å | |
| C3' | C4' | doub | 1.38Å | 1.39Å | Aromatic |
| C3' | H3' | sing | 1.08Å | 1.08Å | |
| C4' | C5' | sing | 1.38Å | 1.39Å | Aromatic |
| C4' | H4' | sing | 1.08Å | 1.08Å | |
| C5' | C6' | doub | 1.38Å | 1.40Å | Aromatic |
| C5' | H5' | sing | 1.08Å | 1.08Å | |
| C6' | H6' | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | O2 | 120.6° | 120.0° |
| O1 | C1 | C2 | 116.1° | 120.0° |
| O2 | C1 | C2 | 123.3° | 120.0° |
| C1 | O2 | HO2 | 109.5° | 117.0° |
| C1 | C2 | C3 | 113.5° | 109.5° |
| C1 | C2 | H21 | 108.5° | 109.5° |
| C1 | C2 | H22 | 108.5° | 109.5° |
| C3 | C2 | H21 | 108.4° | 109.5° |
| C3 | C2 | H22 | 108.5° | 109.5° |
| C2 | C3 | C1' | 113.8° | 109.5° |
| C2 | C3 | H31 | 108.4° | 109.5° |
| C2 | C3 | H32 | 108.4° | 109.5° |
| H21 | C2 | H22 | 109.5° | 109.4° |
| C1' | C3 | H31 | 108.4° | 109.4° |
| C1' | C3 | H32 | 108.4° | 109.4° |
| C3 | C1' | C2' | 122.3° | 120.0° |
| C3 | C1' | C6' | 120.3° | 120.0° |
| H31 | C3 | H32 | 109.5° | 109.5° |
| C2' | C1' | C6' | 117.4° | 120.0° |
| C1' | C2' | C3' | 118.3° | 120.0° |
| C1' | C2' | H2' | 120.9° | 120.1° |
| C1' | C6' | C5' | 124.2° | 120.0° |
| C1' | C6' | H6' | 117.9° | 120.0° |
| C3' | C2' | H2' | 120.9° | 120.0° |
| C2' | C3' | C4' | 122.5° | 120.0° |
| C2' | C3' | H3' | 118.7° | 120.0° |
| C4' | C3' | H3' | 118.7° | 120.0° |
| C3' | C4' | C5' | 118.9° | 120.0° |
| C3' | C4' | H4' | 120.6° | 120.1° |
| C5' | C4' | H4' | 120.5° | 120.0° |
| C4' | C5' | C6' | 117.4° | 120.0° |
| C4' | C5' | H5' | 121.3° | 120.0° |
| C6' | C5' | H5' | 121.3° | 120.0° |
| C5' | C6' | H6' | 117.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | O2 | C2 | 179.8° | 179.7° |
| O1 | C1 | O2 | HO2 | 0.0° | 0.1° |
| O1 | C1 | C2 | C3 | 124.2° | 0.0° |
| O1 | C1 | C2 | H21 | 115.3° | 120.0° |
| O1 | C1 | C2 | H22 | 3.6° | 120.0° |
| O2 | C1 | C2 | C3 | 55.6° | 179.7° |
| O2 | C1 | C2 | H21 | 64.9° | 60.3° |
| O2 | C1 | C2 | H22 | 176.2° | 59.7° |
| C2 | C1 | O2 | HO2 | 179.8° | 179.8° |
| C1 | C2 | C3 | H21 | 120.6° | 120.1° |
| C1 | C2 | C3 | H22 | 120.6° | 120.0° |
| C1 | C2 | H21 | H22 | 118.2° | 120.0° |
| C1 | C2 | C3 | C1' | 79.3° | 180.0° |
| C1 | C2 | C3 | H31 | 41.4° | 60.0° |
| C1 | C2 | C3 | H32 | 160.1° | 60.0° |
| C3 | C2 | H21 | H22 | 118.2° | 119.9° |
| C2 | C3 | C1' | H31 | 120.6° | 120.1° |
| C2 | C3 | C1' | H32 | 120.6° | 120.0° |
| C2 | C3 | H31 | H32 | 118.1° | 120.0° |
| C2 | C3 | C1' | C2' | 100.8° | 90.0° |
| C2 | C3 | C1' | C6' | 82.5° | 90.2° |
| H21 | C2 | C3 | C1' | 160.1° | 59.9° |
| H21 | C2 | C3 | H31 | 79.2° | 180.0° |
| H21 | C2 | C3 | H32 | 39.5° | 60.0° |
| H22 | C2 | C3 | C1' | 41.3° | 60.0° |
| H22 | C2 | C3 | H31 | 162.0° | 60.0° |
| H22 | C2 | C3 | H32 | 79.3° | 180.0° |
| C1' | C3 | H31 | H32 | 118.0° | 119.9° |
| C3 | C1' | C2' | C6' | 176.8° | 179.8° |
| C3 | C1' | C2' | C3' | 173.8° | 180.0° |
| C3 | C1' | C2' | H2' | 6.2° | 0.0° |
| C3 | C1' | C6' | C5' | 179.2° | 179.7° |
| C3 | C1' | C6' | H6' | 0.8° | 0.0° |
| H31 | C3 | C1' | C2' | 138.6° | 30.1° |
| H31 | C3 | C1' | C6' | 38.1° | 149.7° |
| H32 | C3 | C1' | C2' | 19.9° | 150.0° |
| H32 | C3 | C1' | C6' | 156.8° | 29.8° |
| C1' | C2' | C3' | H2' | 180.0° | 180.0° |
| C1' | C2' | C3' | C4' | 13.8° | 0.0° |
| C1' | C2' | C3' | H3' | 166.2° | 180.0° |
| C2' | C1' | C6' | C5' | 3.9° | 0.5° |
| C2' | C1' | C6' | H6' | 176.1° | 179.8° |
| C6' | C1' | C2' | C3' | 9.4° | 0.2° |
| C6' | C1' | C2' | H2' | 170.6° | 179.8° |
| C1' | C6' | C5' | C4' | 1.9° | 0.4° |
| C1' | C6' | C5' | H6' | 180.0° | 179.7° |
| C1' | C6' | C5' | H5' | 178.1° | 179.7° |
| C2' | C3' | C4' | H3' | 180.0° | 179.9° |
| C2' | C3' | C4' | C5' | 11.8° | 0.1° |
| C2' | C3' | C4' | H4' | 168.2° | 180.0° |
| H2' | C2' | C3' | C4' | 166.2° | 179.9° |
| H2' | C2' | C3' | H3' | 13.8° | 0.0° |
| C3' | C4' | C5' | H4' | 180.0° | 179.9° |
| C3' | C4' | C5' | C6' | 5.5° | 0.2° |
| C3' | C4' | C5' | H5' | 174.5° | 180.0° |
| H3' | C3' | C4' | C5' | 168.2° | 180.0° |
| H3' | C3' | C4' | H4' | 11.7° | 0.1° |
| C4' | C5' | C6' | H5' | 180.0° | 179.8° |
| C4' | C5' | C6' | H6' | 178.1° | 179.8° |
| H4' | C4' | C5' | C6' | 174.5° | 179.8° |
| H4' | C4' | C5' | H5' | 5.5° | 0.1° |
| H5' | C5' | C6' | H6' | 1.9° | 0.0° |
