UKH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | B02 | sing | 1.42Å | 1.34Å | |
| O12 | B02 | sing | 1.42Å | 1.34Å | |
| B02 | C03 | sing | 1.57Å | 1.57Å | |
| C03 | C04 | doub | 1.39Å | 1.39Å | Aromatic |
| C03 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C04 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C05 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C06 | sing | 1.38Å | 1.38Å | Aromatic |
| C06 | N07 | sing | 1.48Å | 1.45Å | |
| N07 | O09 | sing | 1.22Å | 1.18Å | |
| N07 | O08 | doub | 1.22Å | 1.40Å | |
| C04 | H1 | sing | 1.08Å | 1.08Å | |
| C05 | H2 | sing | 1.08Å | 1.08Å | |
| C10 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H4 | sing | 1.08Å | 1.08Å | |
| O12 | H5 | sing | 0.97Å | 0.95Å | |
| O01 | H6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | B02 | O12 | 120.6° | 120.0° |
| O01 | B02 | C03 | 120.7° | 120.0° |
| B02 | O01 | H6 | 109.5° | 114.0° |
| O12 | B02 | C03 | 118.7° | 120.0° |
| B02 | O12 | H5 | 109.5° | 114.0° |
| B02 | C03 | C04 | 121.3° | 120.1° |
| B02 | C03 | C11 | 118.1° | 120.1° |
| C04 | C03 | C11 | 120.6° | 119.7° |
| C03 | C04 | C05 | 119.4° | 119.9° |
| C03 | C04 | H1 | 120.3° | 120.1° |
| C03 | C11 | C10 | 120.0° | 119.9° |
| C03 | C11 | H4 | 120.0° | 120.1° |
| C04 | C05 | C06 | 119.9° | 120.1° |
| C05 | C04 | H1 | 120.3° | 120.1° |
| C04 | C05 | H2 | 120.1° | 120.0° |
| C11 | C10 | C06 | 119.6° | 120.1° |
| C11 | C10 | H3 | 120.2° | 119.9° |
| C10 | C11 | H4 | 120.0° | 120.1° |
| C05 | C06 | C10 | 120.6° | 120.3° |
| C05 | C06 | N07 | 119.9° | 119.9° |
| C06 | C05 | H2 | 120.0° | 119.9° |
| C10 | C06 | N07 | 119.5° | 119.9° |
| C06 | C10 | H3 | 120.2° | 119.9° |
| C06 | N07 | O09 | 119.8° | 120.0° |
| C06 | N07 | O08 | 119.9° | 120.0° |
| O09 | N07 | O08 | 120.3° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | B02 | O12 | C03 | 177.3° | 179.7° |
| O01 | B02 | C03 | C04 | 9.9° | 0.0° |
| O01 | B02 | C03 | C11 | 170.1° | 179.7° |
| O01 | B02 | O12 | H5 | 180.0° | 0.3° |
| O12 | B02 | C03 | C04 | 167.5° | 179.7° |
| O12 | B02 | C03 | C11 | 12.6° | 0.6° |
| O12 | B02 | O01 | H6 | 180.0° | 0.3° |
| B02 | C03 | C04 | C11 | 179.9° | 179.7° |
| B02 | C03 | C04 | C05 | 179.9° | 180.0° |
| B02 | C03 | C11 | C10 | 179.6° | 179.7° |
| B02 | C03 | C04 | H1 | 0.1° | 0.1° |
| B02 | C03 | C11 | H4 | 0.4° | 0.0° |
| C03 | B02 | O12 | H5 | 2.7° | 180.0° |
| C03 | B02 | O01 | H6 | 2.7° | 180.0° |
| C03 | C04 | C05 | H1 | 180.0° | 179.9° |
| C04 | C03 | C11 | C10 | 0.4° | 0.6° |
| C03 | C04 | C05 | C06 | 0.0° | 0.0° |
| C03 | C04 | C05 | H2 | 180.0° | 179.9° |
| C04 | C03 | C11 | H4 | 179.6° | 179.8° |
| C11 | C03 | C04 | C05 | 0.2° | 0.3° |
| C03 | C11 | C10 | H4 | 180.0° | 179.6° |
| C03 | C11 | C10 | C06 | 0.5° | 0.6° |
| C11 | C03 | C04 | H1 | 179.8° | 179.8° |
| C03 | C11 | C10 | H3 | 179.5° | 179.7° |
| C04 | C05 | C06 | H2 | 180.0° | 179.9° |
| C04 | C05 | C06 | C10 | 0.0° | 0.0° |
| C04 | C05 | C06 | N07 | 179.3° | 180.0° |
| C11 | C10 | C06 | C05 | 0.3° | 0.3° |
| C11 | C10 | C06 | H3 | 180.0° | 179.7° |
| C11 | C10 | C06 | N07 | 179.5° | 179.7° |
| C05 | C06 | C10 | N07 | 179.3° | 180.0° |
| C05 | C06 | N07 | O09 | 5.3° | 0.0° |
| C05 | C06 | N07 | O08 | 172.5° | 180.0° |
| C06 | C05 | C04 | H1 | 180.0° | 179.9° |
| C05 | C06 | C10 | H3 | 179.7° | 180.0° |
| C10 | C06 | N07 | O09 | 175.5° | 180.0° |
| C10 | C06 | N07 | O08 | 6.8° | 0.0° |
| C10 | C06 | C05 | H2 | 180.0° | 179.9° |
| C06 | C10 | C11 | H4 | 179.5° | 179.8° |
| C06 | N07 | O09 | O08 | 177.7° | 180.0° |
| N07 | C06 | C05 | H2 | 0.8° | 0.1° |
| N07 | C06 | C10 | H3 | 0.5° | 0.0° |
| H1 | C04 | C05 | H2 | 0.1° | 0.0° |
| H3 | C10 | C11 | H4 | 0.5° | 0.1° |
