UB7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O12 | C10 | doub | 1.21Å | 1.29Å | |
| C10 | O11 | sing | 1.35Å | 1.28Å | |
| C10 | C03 | sing | 1.48Å | 1.50Å | |
| C02 | C03 | doub | 1.40Å | 1.40Å | Aromatic |
| C02 | C01 | sing | 1.38Å | 1.39Å | Aromatic |
| C03 | C04 | sing | 1.40Å | 1.39Å | Aromatic |
| C01 | C06 | doub | 1.40Å | 1.40Å | Aromatic |
| C04 | C05 | doub | 1.38Å | 1.39Å | Aromatic |
| C06 | C05 | sing | 1.40Å | 1.40Å | Aromatic |
| C06 | C07 | sing | 1.48Å | 1.50Å | |
| C07 | O08 | doub | 1.21Å | 1.29Å | |
| C07 | O09 | sing | 1.35Å | 1.28Å | |
| C01 | H011 | sing | 1.08Å | 1.08Å | |
| C02 | H021 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| O09 | H1 | sing | 0.97Å | 0.95Å | |
| O11 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O12 | C10 | O11 | 115.8° | 119.9° |
| O12 | C10 | C03 | 121.2° | 120.0° |
| O11 | C10 | C03 | 123.0° | 120.0° |
| C10 | O11 | H2 | 109.5° | 117.0° |
| C10 | C03 | C02 | 122.3° | 120.0° |
| C10 | C03 | C04 | 121.8° | 120.0° |
| C03 | C02 | C01 | 122.1° | 120.0° |
| C02 | C03 | C04 | 115.8° | 120.0° |
| C03 | C02 | H021 | 119.0° | 120.0° |
| C02 | C01 | C06 | 122.1° | 120.0° |
| C02 | C01 | H011 | 118.9° | 120.0° |
| C01 | C02 | H021 | 119.0° | 120.0° |
| C03 | C04 | C05 | 122.2° | 120.0° |
| C03 | C04 | H041 | 118.9° | 120.0° |
| C01 | C06 | C05 | 115.7° | 120.0° |
| C01 | C06 | C07 | 122.7° | 120.0° |
| C06 | C01 | H011 | 118.9° | 120.0° |
| C04 | C05 | C06 | 122.1° | 120.0° |
| C05 | C04 | H041 | 118.9° | 120.0° |
| C04 | C05 | H051 | 118.9° | 120.0° |
| C05 | C06 | C07 | 121.6° | 120.0° |
| C06 | C05 | H051 | 119.0° | 120.0° |
| C06 | C07 | O08 | 121.8° | 120.0° |
| C06 | C07 | O09 | 122.6° | 120.0° |
| O08 | C07 | O09 | 115.6° | 119.9° |
| C07 | O09 | H1 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O12 | C10 | O11 | C03 | 178.6° | 180.0° |
| O12 | C10 | C03 | C02 | 52.7° | 0.0° |
| O12 | C10 | C03 | C04 | 126.4° | 180.0° |
| O12 | C10 | O11 | H2 | 0.0° | 0.0° |
| O11 | C10 | C03 | C02 | 128.7° | 180.0° |
| O11 | C10 | C03 | C04 | 52.1° | 0.0° |
| C10 | C03 | C02 | C04 | 179.2° | 180.0° |
| C10 | C03 | C02 | C01 | 178.9° | 179.9° |
| C10 | C03 | C04 | C05 | 179.1° | 180.0° |
| C10 | C03 | C02 | H021 | 1.1° | 0.0° |
| C10 | C03 | C04 | H041 | 0.9° | 0.0° |
| C03 | C10 | O11 | H2 | 178.6° | 180.0° |
| C03 | C02 | C01 | H021 | 180.0° | 180.0° |
| C03 | C02 | C01 | C06 | 0.4° | 0.0° |
| C02 | C03 | C04 | C05 | 0.1° | 0.0° |
| C03 | C02 | C01 | H011 | 179.6° | 179.8° |
| C02 | C03 | C04 | H041 | 179.9° | 180.0° |
| C01 | C02 | C03 | C04 | 0.3° | 0.0° |
| C02 | C01 | C06 | H011 | 180.0° | 179.8° |
| C02 | C01 | C06 | C05 | 0.4° | 0.1° |
| C02 | C01 | C06 | C07 | 179.9° | 179.7° |
| C03 | C04 | C05 | H041 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 0.0° | 0.1° |
| C04 | C03 | C02 | H021 | 179.7° | 180.0° |
| C03 | C04 | C05 | H051 | 180.0° | 179.9° |
| C01 | C06 | C05 | C04 | 0.1° | 0.1° |
| C01 | C06 | C05 | C07 | 179.6° | 179.6° |
| C01 | C06 | C07 | O08 | 43.7° | 0.0° |
| C01 | C06 | C07 | O09 | 139.0° | 180.0° |
| C06 | C01 | C02 | H021 | 179.5° | 180.0° |
| C01 | C06 | C05 | H051 | 179.9° | 180.0° |
| C04 | C05 | C06 | H051 | 180.0° | 179.8° |
| C04 | C05 | C06 | C07 | 179.7° | 179.8° |
| C05 | C06 | C07 | O08 | 136.7° | 179.6° |
| C05 | C06 | C07 | O09 | 40.5° | 0.3° |
| C05 | C06 | C01 | H011 | 179.6° | 179.7° |
| C06 | C05 | C04 | H041 | 180.0° | 179.9° |
| C06 | C07 | O08 | O09 | 177.4° | 180.0° |
| C07 | C06 | C01 | H011 | 0.1° | 0.0° |
| C07 | C06 | C05 | H051 | 0.3° | 0.4° |
| C06 | C07 | O09 | H1 | 177.4° | 180.0° |
| O08 | C07 | O09 | H1 | 0.0° | 0.0° |
| H011 | C01 | C02 | H021 | 0.5° | 0.3° |
| H041 | C04 | C05 | H051 | 0.0° | 0.0° |
