CUQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O16 | C11 | sing | 1.36Å | 1.42Å | |
| C11 | C10 | doub | 1.38Å | 1.43Å | Aromatic |
| C11 | C12 | sing | 1.40Å | 1.35Å | Aromatic |
| O15 | C12 | sing | 1.36Å | 1.44Å | |
| C10 | C09 | sing | 1.40Å | 1.40Å | Aromatic |
| C12 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C09 | C07 | sing | 1.47Å | 1.57Å | |
| C09 | C14 | doub | 1.40Å | 1.35Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.42Å | Aromatic |
| C03 | C02 | doub | 1.38Å | 1.36Å | Aromatic |
| C03 | C04 | sing | 1.40Å | 1.39Å | Aromatic |
| C02 | C01 | sing | 1.38Å | 1.39Å | Aromatic |
| C04 | C07 | sing | 1.48Å | 1.56Å | |
| C04 | C05 | doub | 1.40Å | 1.37Å | Aromatic |
| C07 | O08 | doub | 1.22Å | 1.18Å | |
| C01 | C06 | doub | 1.38Å | 1.40Å | Aromatic |
| C05 | C06 | sing | 1.38Å | 1.37Å | Aromatic |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| 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 |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O16 | C11 | C10 | 121.2° | 120.0° |
| O16 | C11 | C12 | 118.8° | 120.0° |
| C11 | O16 | H161 | 109.5° | 114.0° |
| C10 | C11 | C12 | 120.1° | 120.0° |
| C11 | C10 | C09 | 119.4° | 119.9° |
| C11 | C10 | H101 | 120.3° | 120.0° |
| C11 | C12 | O15 | 120.5° | 119.9° |
| C11 | C12 | C13 | 120.5° | 120.2° |
| O15 | C12 | C13 | 118.9° | 119.9° |
| C12 | O15 | H151 | 109.5° | 114.0° |
| C10 | C09 | C07 | 124.3° | 120.1° |
| C10 | C09 | C14 | 119.9° | 119.8° |
| C09 | C10 | H101 | 120.3° | 120.1° |
| C12 | C13 | C14 | 119.6° | 120.1° |
| C12 | C13 | H131 | 120.2° | 119.9° |
| C07 | C09 | C14 | 115.8° | 120.1° |
| C09 | C07 | C04 | 127.3° | 120.0° |
| C09 | C07 | O08 | 116.0° | 120.0° |
| C09 | C14 | C13 | 120.6° | 120.0° |
| C09 | C14 | H141 | 119.7° | 120.0° |
| C14 | C13 | H131 | 120.2° | 119.9° |
| C13 | C14 | H141 | 119.7° | 120.0° |
| C02 | C03 | C04 | 121.7° | 119.8° |
| C03 | C02 | C01 | 119.4° | 120.2° |
| C03 | C02 | H021 | 120.3° | 119.9° |
| C02 | C03 | H031 | 119.2° | 120.1° |
| C03 | C04 | C07 | 118.8° | 120.2° |
| C03 | C04 | C05 | 119.0° | 119.7° |
| C04 | C03 | H031 | 119.2° | 120.1° |
| C02 | C01 | C06 | 119.2° | 120.3° |
| C02 | C01 | H011 | 120.4° | 119.9° |
| C01 | C02 | H021 | 120.3° | 119.9° |
| C07 | C04 | C05 | 122.1° | 120.2° |
| C04 | C07 | O08 | 116.7° | 120.0° |
| C04 | C05 | C06 | 120.2° | 119.9° |
| C04 | C05 | H051 | 119.9° | 120.1° |
| C01 | C06 | C05 | 120.5° | 120.1° |
| C06 | C01 | H011 | 120.4° | 119.9° |
| C01 | C06 | H061 | 119.8° | 119.9° |
| C06 | C05 | H051 | 119.9° | 120.1° |
| C05 | C06 | H061 | 119.7° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O16 | C11 | C10 | C12 | 179.2° | 180.0° |
| O16 | C11 | C12 | O15 | 0.7° | 0.0° |
| O16 | C11 | C10 | C09 | 179.8° | 180.0° |
| O16 | C11 | C12 | C13 | 179.3° | 180.0° |
| O16 | C11 | C10 | H101 | 0.2° | 0.2° |
| C10 | C11 | C12 | O15 | 179.8° | 180.0° |
| C11 | C10 | C09 | H101 | 180.0° | 179.8° |
| C10 | C11 | C12 | C13 | 0.1° | 0.0° |
| C11 | C10 | C09 | C07 | 178.9° | 179.8° |
| C11 | C10 | C09 | C14 | 1.0° | 0.3° |
| C10 | C11 | O16 | H161 | 180.0° | 90.0° |
| C11 | C12 | O15 | C13 | 179.9° | 179.9° |
| C12 | C11 | C10 | C09 | 0.6° | 0.0° |
| C11 | C12 | C13 | C14 | 0.1° | 0.3° |
| C12 | C11 | C10 | H101 | 179.4° | 179.8° |
| C11 | C12 | C13 | H131 | 179.9° | 179.7° |
| C11 | C12 | O15 | H151 | 180.0° | 90.1° |
| C12 | C11 | O16 | H161 | 0.8° | 90.0° |
| O15 | C12 | C13 | C14 | 180.0° | 179.7° |
| O15 | C12 | C13 | H131 | 0.0° | 0.3° |
| C10 | C09 | C07 | C14 | 178.0° | 180.0° |
| C10 | C09 | C14 | C13 | 0.8° | 0.6° |
| C10 | C09 | C07 | C04 | 22.2° | 7.6° |
| C10 | C09 | C07 | O08 | 158.5° | 172.3° |
| C10 | C09 | C14 | H141 | 179.2° | 180.0° |
| C12 | C13 | C14 | C09 | 0.2° | 0.6° |
| C12 | C13 | C14 | H131 | 180.0° | 179.4° |
| C12 | C13 | C14 | H141 | 179.8° | 179.9° |
| C13 | C12 | O15 | H151 | 0.1° | 90.0° |
| C07 | C09 | C14 | C13 | 178.9° | 179.5° |
| C09 | C07 | C04 | C03 | 143.4° | 34.1° |
| C09 | C07 | C04 | O08 | 179.3° | 180.0° |
| C09 | C07 | C04 | C05 | 38.9° | 145.9° |
| C07 | C09 | C10 | H101 | 1.1° | 0.0° |
| C07 | C09 | C14 | H141 | 1.1° | 0.0° |
| C09 | C14 | C13 | H141 | 180.0° | 179.5° |
| C14 | C09 | C07 | C04 | 159.8° | 172.4° |
| C14 | C09 | C07 | O08 | 19.5° | 7.7° |
| C14 | C09 | C10 | H101 | 179.0° | 180.0° |
| C09 | C14 | C13 | H131 | 179.8° | 180.0° |
| C02 | C03 | C04 | H031 | 180.0° | 179.9° |
| C03 | C02 | C01 | H021 | 180.0° | 179.8° |
| C02 | C03 | C04 | C07 | 178.1° | 180.0° |
| C02 | C03 | C04 | C05 | 0.3° | 0.1° |
| C03 | C02 | C01 | C06 | 0.7° | 0.1° |
| C03 | C02 | C01 | H011 | 179.3° | 179.8° |
| C04 | C03 | C02 | C01 | 0.1° | 0.1° |
| C03 | C04 | C07 | C05 | 177.7° | 180.0° |
| C03 | C04 | C07 | O08 | 37.4° | 145.9° |
| C03 | C04 | C05 | C06 | 0.2° | 0.0° |
| C04 | C03 | C02 | H021 | 179.9° | 179.9° |
| C03 | C04 | C05 | H051 | 179.8° | 179.9° |
| C02 | C01 | C06 | H011 | 180.0° | 179.6° |
| C02 | C01 | C06 | C05 | 1.2° | 0.1° |
| C01 | C02 | C03 | H031 | 179.9° | 179.9° |
| C02 | C01 | C06 | H061 | 178.8° | 179.7° |
| C07 | C04 | C05 | C06 | 177.5° | 180.0° |
| C07 | C04 | C03 | H031 | 1.9° | 0.0° |
| C07 | C04 | C05 | H051 | 2.5° | 0.0° |
| C05 | C04 | C07 | O08 | 140.3° | 34.1° |
| C04 | C05 | C06 | C01 | 1.0° | 0.0° |
| C04 | C05 | C06 | H051 | 180.0° | 179.9° |
| C05 | C04 | C03 | H031 | 179.7° | 180.0° |
| C04 | C05 | C06 | H061 | 179.0° | 179.8° |
| C01 | C06 | C05 | H061 | 180.0° | 179.8° |
| C06 | C01 | C02 | H021 | 179.3° | 180.0° |
| C01 | C06 | C05 | H051 | 179.0° | 179.9° |
| C05 | C06 | C01 | H011 | 178.8° | 179.7° |
| H131 | C13 | C14 | H141 | 0.3° | 0.5° |
| H011 | C01 | C02 | H021 | 0.7° | 0.4° |
| H011 | C01 | C06 | H061 | 1.2° | 0.1° |
| H021 | C02 | C03 | H031 | 0.1° | 0.1° |
| H051 | C05 | C06 | H061 | 1.0° | 0.3° |
