CUT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O15 | C12 | sing | 1.36Å | 1.41Å | |
| C12 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.36Å | 1.38Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C09 | doub | 1.40Å | 1.39Å | Aromatic |
| C10 | C09 | sing | 1.40Å | 1.38Å | Aromatic |
| C10 | O16 | sing | 1.36Å | 1.41Å | |
| C09 | C07 | sing | 1.47Å | 1.51Å | |
| C06 | C05 | doub | 1.38Å | 1.38Å | Aromatic |
| C06 | C01 | sing | 1.38Å | 1.36Å | Aromatic |
| C05 | C04 | sing | 1.40Å | 1.37Å | Aromatic |
| C01 | C02 | doub | 1.38Å | 1.38Å | Aromatic |
| C07 | C04 | sing | 1.48Å | 1.52Å | |
| C07 | O08 | doub | 1.22Å | 1.19Å | |
| C04 | C03 | doub | 1.40Å | 1.38Å | Aromatic |
| C02 | C03 | 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 | |
| C11 | H111 | 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) |
| O15 | C12 | C13 | 119.9° | 119.9° |
| O15 | C12 | C11 | 119.1° | 119.8° |
| C12 | O15 | H151 | 109.5° | 114.0° |
| C13 | C12 | C11 | 121.0° | 120.3° |
| C12 | C13 | C14 | 119.0° | 120.4° |
| C12 | C13 | H131 | 120.5° | 119.8° |
| C12 | C11 | C10 | 120.4° | 119.9° |
| C12 | C11 | H111 | 119.8° | 120.0° |
| C13 | C14 | C09 | 119.5° | 120.1° |
| C14 | C13 | H131 | 120.5° | 119.8° |
| C13 | C14 | H141 | 120.3° | 119.9° |
| C11 | C10 | C09 | 118.4° | 119.6° |
| C11 | C10 | O16 | 123.5° | 120.2° |
| C10 | C11 | H111 | 119.8° | 120.1° |
| C14 | C09 | C10 | 121.7° | 119.7° |
| C14 | C09 | C07 | 119.3° | 120.1° |
| C09 | C14 | H141 | 120.2° | 120.0° |
| C09 | C10 | O16 | 118.1° | 120.2° |
| C10 | C09 | C07 | 119.0° | 120.1° |
| C10 | O16 | H161 | 109.5° | 114.0° |
| C09 | C07 | C04 | 115.4° | 120.0° |
| C09 | C07 | O08 | 120.2° | 120.0° |
| C05 | C06 | C01 | 120.8° | 120.1° |
| C06 | C05 | C04 | 120.9° | 119.8° |
| C06 | C05 | H051 | 119.6° | 120.0° |
| C05 | C06 | H061 | 119.6° | 119.9° |
| C06 | C01 | C02 | 119.3° | 120.3° |
| C06 | C01 | H011 | 120.3° | 119.8° |
| C01 | C06 | H061 | 119.6° | 119.9° |
| C05 | C04 | C07 | 120.5° | 120.1° |
| C05 | C04 | C03 | 118.4° | 119.7° |
| C04 | C05 | H051 | 119.5° | 120.1° |
| C01 | C02 | C03 | 119.8° | 120.1° |
| C02 | C01 | H011 | 120.3° | 119.9° |
| C01 | C02 | H021 | 120.1° | 119.9° |
| C04 | C07 | O08 | 124.4° | 120.0° |
| C07 | C04 | C03 | 120.8° | 120.2° |
| C04 | C03 | C02 | 120.7° | 119.9° |
| C04 | C03 | H031 | 119.7° | 120.0° |
| C03 | C02 | H021 | 120.1° | 120.0° |
| C02 | C03 | H031 | 119.6° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O15 | C12 | C13 | C11 | 178.8° | 179.8° |
| O15 | C12 | C13 | C14 | 179.0° | 180.0° |
| O15 | C12 | C11 | C10 | 180.0° | 179.7° |
| O15 | C12 | C13 | H131 | 1.0° | 0.5° |
| O15 | C12 | C11 | H111 | 0.0° | 0.2° |
| C12 | C13 | C14 | H131 | 180.0° | 179.5° |
| C13 | C12 | C11 | C10 | 1.2° | 0.0° |
| C12 | C13 | C14 | C09 | 1.3° | 0.5° |
| C13 | C12 | C11 | H111 | 178.8° | 180.0° |
| C12 | C13 | C14 | H141 | 178.7° | 180.0° |
| C13 | C12 | O15 | H151 | 180.0° | 90.0° |
| C11 | C12 | C13 | C14 | 2.2° | 0.3° |
| C12 | C11 | C10 | H111 | 180.0° | 179.9° |
| C12 | C11 | C10 | C09 | 0.8° | 0.1° |
| C12 | C11 | C10 | O16 | 178.5° | 179.7° |
| C11 | C12 | C13 | H131 | 177.8° | 179.7° |
| C11 | C12 | O15 | H151 | 1.2° | 89.8° |
| C13 | C14 | C09 | H141 | 180.0° | 179.4° |
| C13 | C14 | C09 | C10 | 0.7° | 0.5° |
| C13 | C14 | C09 | C07 | 179.2° | 179.4° |
| C11 | C10 | C09 | C14 | 1.7° | 0.2° |
| C11 | C10 | C09 | O16 | 177.9° | 179.7° |
| C11 | C10 | C09 | C07 | 179.8° | 179.7° |
| C11 | C10 | O16 | H161 | 179.3° | 90.3° |
| C14 | C09 | C10 | C07 | 178.5° | 179.9° |
| C14 | C09 | C10 | O16 | 179.6° | 180.0° |
| C14 | C09 | C07 | C04 | 3.9° | 104.4° |
| C14 | C09 | C07 | O08 | 175.8° | 75.7° |
| C09 | C14 | C13 | H131 | 178.7° | 180.0° |
| C10 | C09 | C07 | C04 | 177.6° | 75.6° |
| C10 | C09 | C07 | O08 | 2.7° | 104.3° |
| C09 | C10 | C11 | H111 | 179.2° | 180.0° |
| C10 | C09 | C14 | H141 | 179.3° | 179.9° |
| C09 | C10 | O16 | H161 | 3.0° | 90.0° |
| O16 | C10 | C09 | C07 | 1.9° | 0.0° |
| O16 | C10 | C11 | H111 | 1.5° | 0.2° |
| C09 | C07 | C04 | C05 | 101.9° | 5.5° |
| C09 | C07 | C04 | O08 | 179.7° | 179.9° |
| C09 | C07 | C04 | C03 | 72.0° | 174.5° |
| C07 | C09 | C14 | H141 | 0.8° | 0.0° |
| C05 | C06 | C01 | H061 | 180.0° | 179.5° |
| C06 | C05 | C04 | H051 | 180.0° | 179.8° |
| C05 | C06 | C01 | C02 | 2.5° | 0.5° |
| C06 | C05 | C04 | C07 | 178.1° | 179.8° |
| C06 | C05 | C04 | C03 | 3.9° | 0.2° |
| C05 | C06 | C01 | H011 | 177.5° | 179.8° |
| C01 | C06 | C05 | C04 | 0.9° | 0.5° |
| C06 | C01 | C02 | H011 | 180.0° | 179.7° |
| C06 | C01 | C02 | C03 | 2.7° | 0.2° |
| C06 | C01 | C02 | H021 | 177.3° | 179.7° |
| C01 | C06 | C05 | H051 | 179.1° | 179.7° |
| C05 | C04 | C07 | C03 | 174.0° | 180.0° |
| C05 | C04 | C07 | O08 | 77.7° | 174.6° |
| C05 | C04 | C03 | C02 | 3.7° | 0.0° |
| C05 | C04 | C03 | H031 | 176.3° | 180.0° |
| C04 | C05 | C06 | H061 | 179.1° | 180.0° |
| C01 | C02 | C03 | C04 | 0.4° | 0.0° |
| C01 | C02 | C03 | H021 | 180.0° | 180.0° |
| C01 | C02 | C03 | H031 | 179.6° | 180.0° |
| C02 | C01 | C06 | H061 | 177.5° | 180.0° |
| C07 | C04 | C03 | C02 | 177.8° | 180.0° |
| C07 | C04 | C03 | H031 | 2.2° | 0.0° |
| C07 | C04 | C05 | H051 | 2.0° | 0.1° |
| O08 | C07 | C04 | C03 | 108.3° | 5.4° |
| C04 | C03 | C02 | H031 | 180.0° | 180.0° |
| C04 | C03 | C02 | H021 | 179.6° | 180.0° |
| C03 | C04 | C05 | H051 | 176.1° | 179.9° |
| C03 | C02 | C01 | H011 | 177.2° | 179.9° |
| H131 | C13 | C14 | H141 | 1.3° | 0.6° |
| H011 | C01 | C02 | H021 | 2.8° | 0.0° |
| H011 | C01 | C06 | H061 | 2.5° | 0.3° |
| H021 | C02 | C03 | H031 | 0.4° | 0.0° |
| H051 | C05 | C06 | H061 | 0.9° | 0.1° |
