UB9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | C01 | sing | 1.51Å | 1.51Å | |
| C03 | C02 | doub | 1.38Å | 1.39Å | Aromatic |
| C04 | C03 | sing | 1.39Å | 1.39Å | Aromatic |
| C07 | C06 | doub | 1.39Å | 1.38Å | Aromatic |
| O08 | C06 | sing | 1.36Å | 1.40Å | |
| C09 | O08 | sing | 1.43Å | 1.40Å | |
| C06 | C05 | sing | 1.39Å | 1.37Å | Aromatic |
| O10 | C05 | sing | 1.36Å | 1.40Å | |
| C05 | C04 | doub | 1.39Å | 1.39Å | Aromatic |
| O11 | C04 | sing | 1.36Å | 1.40Å | |
| C12 | O11 | sing | 1.43Å | 1.42Å | |
| C02 | C07 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | H123 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C09 | H093 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| O10 | H101 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 121.7° | 119.9° |
| C01 | C02 | C07 | 118.6° | 119.9° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.4° |
| C02 | C03 | C04 | 119.3° | 120.1° |
| C03 | C02 | C07 | 119.7° | 120.2° |
| C02 | C03 | H031 | 120.4° | 120.0° |
| C03 | C04 | C05 | 120.9° | 119.9° |
| C03 | C04 | O11 | 124.4° | 120.0° |
| C04 | C03 | H031 | 120.4° | 120.0° |
| C07 | C06 | O08 | 122.7° | 120.0° |
| C07 | C06 | C05 | 121.3° | 119.9° |
| C06 | C07 | C02 | 119.6° | 120.1° |
| C06 | C07 | H071 | 120.2° | 120.0° |
| C06 | O08 | C09 | 117.1° | 117.0° |
| O08 | C06 | C05 | 116.0° | 120.0° |
| O08 | C09 | H093 | 109.5° | 109.4° |
| O08 | C09 | H092 | 109.5° | 109.4° |
| O08 | C09 | H091 | 109.5° | 109.4° |
| C06 | C05 | O10 | 120.3° | 120.1° |
| C06 | C05 | C04 | 119.2° | 119.8° |
| O10 | C05 | C04 | 120.5° | 120.1° |
| C05 | O10 | H101 | 109.5° | 114.0° |
| C05 | C04 | O11 | 114.6° | 120.0° |
| C04 | O11 | C12 | 117.3° | 117.0° |
| O11 | C12 | H123 | 109.5° | 109.4° |
| O11 | C12 | H121 | 109.5° | 109.4° |
| O11 | C12 | H122 | 109.5° | 109.4° |
| C02 | C07 | H071 | 120.2° | 120.0° |
| H123 | C12 | H121 | 109.5° | 109.5° |
| H123 | C12 | H122 | 109.5° | 109.5° |
| H121 | C12 | H122 | 109.5° | 109.5° |
| H013 | C01 | H011 | 109.5° | 109.4° |
| H013 | C01 | H012 | 109.5° | 109.5° |
| H011 | C01 | H012 | 109.5° | 109.4° |
| H093 | C09 | H092 | 109.4° | 109.5° |
| H093 | C09 | H091 | 109.4° | 109.5° |
| H092 | C09 | H091 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | C07 | 177.8° | 179.7° |
| C01 | C02 | C03 | C04 | 177.9° | 179.9° |
| C01 | C02 | C07 | C06 | 176.5° | 179.8° |
| C02 | C01 | H013 | H011 | 120.0° | 120.0° |
| C02 | C01 | H013 | H012 | 120.0° | 120.0° |
| C02 | C01 | H011 | H012 | 120.0° | 119.9° |
| C01 | C02 | C03 | H031 | 2.1° | 0.0° |
| C01 | C02 | C07 | H071 | 3.4° | 0.0° |
| C02 | C03 | C04 | H031 | 180.0° | 179.9° |
| C03 | C02 | C07 | C06 | 1.3° | 0.5° |
| C02 | C03 | C04 | C05 | 1.4° | 0.0° |
| C02 | C03 | C04 | O11 | 179.8° | 179.9° |
| C03 | C02 | C01 | H013 | 91.2° | 89.7° |
| C03 | C02 | C01 | H011 | 148.8° | 30.3° |
| C03 | C02 | C01 | H012 | 28.8° | 150.2° |
| C03 | C02 | C07 | H071 | 178.7° | 179.7° |
| C03 | C04 | C05 | C06 | 1.0° | 0.0° |
| C03 | C04 | C05 | O10 | 177.6° | 179.9° |
| C03 | C04 | C05 | O11 | 179.0° | 179.9° |
| C03 | C04 | O11 | C12 | 13.7° | 0.1° |
| C04 | C03 | C02 | C07 | 0.2° | 0.2° |
| C07 | C06 | O08 | C05 | 179.7° | 179.8° |
| C07 | C06 | O08 | C09 | 13.1° | 0.2° |
| C07 | C06 | C05 | O10 | 179.1° | 179.8° |
| C07 | C06 | C05 | C04 | 0.5° | 0.2° |
| C06 | C07 | C02 | H071 | 180.0° | 179.8° |
| O08 | C06 | C05 | O10 | 1.2° | 0.0° |
| O08 | C06 | C05 | C04 | 179.9° | 180.0° |
| O08 | C06 | C07 | C02 | 178.7° | 179.7° |
| O08 | C06 | C07 | H071 | 1.2° | 0.1° |
| C06 | O08 | C09 | H093 | 180.0° | 180.0° |
| C06 | O08 | C09 | H092 | 60.0° | 60.0° |
| C06 | O08 | C09 | H091 | 60.0° | 60.0° |
| C09 | O08 | C06 | C05 | 167.2° | 180.0° |
| O08 | C09 | H093 | H092 | 120.0° | 120.0° |
| O08 | C09 | H093 | H091 | 120.0° | 120.0° |
| O08 | C09 | H092 | H091 | 120.0° | 120.0° |
| C06 | C05 | O10 | C04 | 178.6° | 180.0° |
| C06 | C05 | C04 | O11 | 180.0° | 179.9° |
| C05 | C06 | C07 | C02 | 1.6° | 0.5° |
| C05 | C06 | C07 | H071 | 178.4° | 179.7° |
| C06 | C05 | O10 | H101 | 180.0° | 90.0° |
| O10 | C05 | C04 | O11 | 1.3° | 0.0° |
| C05 | C04 | O11 | C12 | 165.2° | 180.0° |
| C05 | C04 | C03 | H031 | 178.6° | 180.0° |
| C04 | C05 | O10 | H101 | 1.4° | 90.0° |
| C04 | O11 | C12 | H123 | 180.0° | 180.0° |
| C04 | O11 | C12 | H121 | 60.0° | 60.0° |
| C04 | O11 | C12 | H122 | 60.0° | 60.0° |
| O11 | C04 | C03 | H031 | 0.2° | 0.1° |
| O11 | C12 | H123 | H121 | 120.0° | 120.0° |
| O11 | C12 | H123 | H122 | 120.0° | 120.0° |
| O11 | C12 | H121 | H122 | 120.0° | 120.0° |
| C07 | C02 | C01 | H013 | 91.0° | 90.0° |
| C07 | C02 | C01 | H011 | 28.9° | 150.0° |
| C07 | C02 | C01 | H012 | 148.9° | 30.0° |
| C07 | C02 | C03 | H031 | 179.8° | 179.7° |
| H123 | C12 | H121 | H122 | 120.0° | 120.1° |
| H013 | C01 | H011 | H012 | 120.0° | 120.0° |
| H093 | C09 | H092 | H091 | 120.0° | 120.1° |
