CUH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O15 | C12 | sing | 1.36Å | 1.39Å | |
| C13 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.38Å | Aromatic |
| C14 | C09 | doub | 1.40Å | 1.40Å | Aromatic |
| C11 | O16 | sing | 1.36Å | 1.41Å | |
| C11 | C10 | doub | 1.39Å | 1.37Å | Aromatic |
| C09 | C10 | sing | 1.40Å | 1.38Å | Aromatic |
| C09 | C07 | sing | 1.47Å | 1.51Å | |
| C10 | O17 | sing | 1.36Å | 1.39Å | |
| C03 | C02 | doub | 1.38Å | 1.38Å | Aromatic |
| C03 | C04 | sing | 1.40Å | 1.37Å | Aromatic |
| C02 | C01 | sing | 1.38Å | 1.38Å | Aromatic |
| C07 | C04 | sing | 1.48Å | 1.51Å | |
| C07 | O08 | doub | 1.22Å | 1.19Å | |
| C04 | C05 | doub | 1.40Å | 1.39Å | Aromatic |
| C01 | C06 | doub | 1.38Å | 1.38Å | Aromatic |
| C05 | C06 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C01 | H011 | sing | 1.08Å | 1.08Å | |
| C02 | H021 | sing | 1.08Å | 1.08Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| O15 | H151 | sing | 0.97Å | 0.95Å | |
| O16 | H161 | sing | 0.97Å | 0.95Å | |
| O17 | H171 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O15 | C12 | C13 | 121.2° | 119.9° |
| O15 | C12 | C11 | 117.3° | 119.9° |
| C12 | O15 | H151 | 109.5° | 114.0° |
| C12 | C13 | C14 | 118.8° | 120.3° |
| C13 | C12 | C11 | 121.5° | 120.3° |
| C12 | C13 | H131 | 120.6° | 119.8° |
| C13 | C14 | C09 | 119.3° | 120.0° |
| C14 | C13 | H131 | 120.6° | 119.9° |
| C13 | C14 | H141 | 120.3° | 119.9° |
| C12 | C11 | O16 | 121.2° | 120.0° |
| C12 | C11 | C10 | 119.8° | 120.0° |
| C14 | C09 | C10 | 121.2° | 119.8° |
| C14 | C09 | C07 | 122.4° | 120.1° |
| C09 | C14 | H141 | 120.3° | 120.0° |
| O16 | C11 | C10 | 119.0° | 120.0° |
| C11 | O16 | H161 | 109.5° | 114.0° |
| C11 | C10 | C09 | 119.4° | 119.7° |
| C11 | C10 | O17 | 119.0° | 120.2° |
| C10 | C09 | C07 | 116.4° | 120.1° |
| C09 | C10 | O17 | 121.6° | 120.1° |
| C09 | C07 | C04 | 118.4° | 120.0° |
| C09 | C07 | O08 | 119.9° | 120.0° |
| C10 | O17 | H171 | 109.5° | 114.0° |
| C02 | C03 | C04 | 119.3° | 119.9° |
| C03 | C02 | C01 | 120.5° | 120.1° |
| C03 | C02 | H021 | 119.8° | 120.0° |
| C02 | C03 | H031 | 120.3° | 120.0° |
| C03 | C04 | C07 | 116.9° | 120.2° |
| C03 | C04 | C05 | 120.6° | 119.7° |
| C04 | C03 | H031 | 120.3° | 120.1° |
| C02 | C01 | C06 | 120.0° | 120.3° |
| C02 | C01 | H011 | 120.0° | 119.9° |
| C01 | C02 | H021 | 119.7° | 119.9° |
| C04 | C07 | O08 | 121.7° | 120.0° |
| C07 | C04 | C05 | 122.4° | 120.2° |
| C04 | C05 | C06 | 119.3° | 119.9° |
| C04 | C05 | H051 | 120.3° | 120.1° |
| C01 | C06 | C05 | 120.1° | 120.1° |
| C06 | C01 | H011 | 120.0° | 119.8° |
| C01 | C06 | H061 | 119.9° | 120.0° |
| C06 | C05 | H051 | 120.4° | 120.0° |
| C05 | C06 | H061 | 119.9° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O15 | C12 | C13 | C11 | 178.2° | 179.7° |
| O15 | C12 | C13 | C14 | 179.7° | 180.0° |
| O15 | C12 | C11 | O16 | 1.6° | 0.3° |
| O15 | C12 | C11 | C10 | 179.2° | 179.7° |
| O15 | C12 | C13 | H131 | 0.3° | 0.3° |
| C12 | C13 | C14 | H131 | 180.0° | 179.6° |
| C12 | C13 | C14 | C09 | 1.6° | 0.3° |
| C13 | C12 | C11 | O16 | 179.8° | 180.0° |
| C13 | C12 | C11 | C10 | 1.0° | 0.0° |
| C12 | C13 | C14 | H141 | 178.4° | 180.0° |
| C13 | C12 | O15 | H151 | 180.0° | 90.0° |
| C14 | C13 | C12 | C11 | 1.5° | 0.3° |
| C13 | C14 | C09 | H141 | 180.0° | 179.7° |
| C13 | C14 | C09 | C10 | 1.1° | 0.0° |
| C13 | C14 | C09 | C07 | 179.4° | 180.0° |
| C12 | C11 | O16 | C10 | 179.2° | 180.0° |
| C12 | C11 | C10 | C09 | 0.5° | 0.3° |
| C12 | C11 | C10 | O17 | 179.9° | 180.0° |
| C11 | C12 | C13 | H131 | 178.4° | 180.0° |
| C11 | C12 | O15 | H151 | 1.8° | 90.3° |
| C12 | C11 | O16 | H161 | 180.0° | 90.1° |
| C14 | C09 | C10 | C11 | 0.5° | 0.3° |
| C14 | C09 | C10 | C07 | 179.5° | 180.0° |
| C14 | C09 | C10 | O17 | 179.8° | 180.0° |
| C14 | C09 | C07 | C04 | 8.6° | 104.4° |
| C14 | C09 | C07 | O08 | 169.7° | 75.7° |
| C09 | C14 | C13 | H131 | 178.4° | 180.0° |
| O16 | C11 | C10 | C09 | 179.7° | 179.7° |
| O16 | C11 | C10 | O17 | 0.6° | 0.1° |
| C11 | C10 | C09 | O17 | 179.7° | 179.8° |
| C11 | C10 | C09 | C07 | 179.9° | 179.7° |
| C10 | C11 | O16 | H161 | 0.8° | 89.9° |
| C11 | C10 | O17 | H171 | 175.9° | 90.2° |
| C10 | C09 | C07 | C04 | 171.9° | 75.6° |
| C10 | C09 | C07 | O08 | 9.8° | 104.3° |
| C10 | C09 | C14 | H141 | 178.9° | 179.7° |
| C09 | C10 | O17 | H171 | 4.4° | 90.0° |
| C07 | C09 | C10 | O17 | 0.3° | 0.1° |
| C09 | C07 | C04 | C03 | 118.9° | 174.6° |
| C09 | C07 | C04 | O08 | 178.3° | 179.9° |
| C09 | C07 | C04 | C05 | 58.3° | 5.4° |
| C07 | C09 | C14 | H141 | 0.6° | 0.3° |
| C02 | C03 | C04 | H031 | 180.0° | 180.0° |
| C03 | C02 | C01 | H021 | 180.0° | 180.0° |
| C02 | C03 | C04 | C07 | 179.7° | 180.0° |
| C02 | C03 | C04 | C05 | 2.4° | 0.0° |
| C03 | C02 | C01 | C06 | 0.3° | 0.0° |
| C03 | C02 | C01 | H011 | 179.7° | 179.7° |
| C04 | C03 | C02 | C01 | 0.6° | 0.0° |
| C03 | C04 | C07 | C05 | 177.2° | 180.0° |
| C03 | C04 | C07 | O08 | 59.4° | 5.4° |
| C03 | C04 | C05 | C06 | 3.3° | 0.0° |
| C04 | C03 | C02 | H021 | 179.4° | 180.0° |
| C03 | C04 | C05 | H051 | 176.7° | 180.0° |
| C02 | C01 | C06 | H011 | 180.0° | 179.7° |
| C02 | C01 | C06 | C05 | 0.6° | 0.0° |
| C01 | C02 | C03 | H031 | 179.4° | 180.0° |
| C02 | C01 | C06 | H061 | 179.4° | 179.7° |
| C07 | C04 | C05 | C06 | 179.6° | 180.0° |
| C07 | C04 | C03 | H031 | 0.3° | 0.0° |
| C07 | C04 | C05 | H051 | 0.4° | 0.0° |
| O08 | C07 | C04 | C05 | 123.4° | 174.6° |
| C04 | C05 | C06 | C01 | 2.4° | 0.1° |
| C04 | C05 | C06 | H051 | 180.0° | 179.9° |
| C05 | C04 | C03 | H031 | 177.6° | 180.0° |
| C04 | C05 | C06 | H061 | 177.6° | 179.7° |
| C01 | C06 | C05 | H061 | 180.0° | 179.7° |
| C06 | C01 | C02 | H021 | 179.7° | 180.0° |
| C01 | C06 | C05 | H051 | 177.6° | 180.0° |
| C05 | C06 | C01 | H011 | 179.3° | 179.7° |
| H131 | C13 | C14 | H141 | 1.6° | 0.3° |
| H011 | C01 | C02 | H021 | 0.3° | 0.3° |
| H011 | C01 | C06 | H061 | 0.7° | 0.0° |
| H021 | C02 | C03 | H031 | 0.6° | 0.1° |
| H051 | C05 | C06 | H061 | 2.4° | 0.3° |
