UL9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S06 | C05 | doub | 1.55Å | 1.81Å | |
| C05 | N04 | doub | 1.25Å | 1.45Å | |
| N04 | C03 | sing | 1.46Å | 1.61Å | |
| C03 | C02 | sing | 1.51Å | 1.71Å | |
| C02 | C01 | doub | 1.31Å | 1.32Å | |
| C01 | H012 | sing | 1.08Å | 1.08Å | |
| C01 | H011 | sing | 1.08Å | 1.08Å | |
| C02 | H021 | sing | 1.08Å | 1.08Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S06 | C05 | N04 | 179.9° | 180.0° |
| C05 | N04 | C03 | 119.8° | 120.0° |
| N04 | C03 | C02 | 109.7° | 109.5° |
| N04 | C03 | H031 | 109.4° | 109.5° |
| N04 | C03 | H032 | 109.4° | 109.5° |
| C03 | C02 | C01 | 120.1° | 120.0° |
| C03 | C02 | H021 | 120.0° | 120.0° |
| C02 | C03 | H031 | 109.4° | 109.5° |
| C02 | C03 | H032 | 109.4° | 109.5° |
| C02 | C01 | H012 | 120.0° | 120.0° |
| C02 | C01 | H011 | 120.0° | 120.0° |
| C01 | C02 | H021 | 120.0° | 120.0° |
| H012 | C01 | H011 | 120.0° | 120.0° |
| H031 | C03 | H032 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S06 | C05 | N04 | C03 | 5.1° | 99.2° |
| C05 | N04 | C03 | C02 | 177.6° | 120.0° |
| C05 | N04 | C03 | H031 | 62.3° | 0.0° |
| C05 | N04 | C03 | H032 | 57.6° | 120.0° |
| N04 | C03 | C02 | H031 | 120.0° | 120.1° |
| N04 | C03 | C02 | H032 | 120.1° | 120.0° |
| N04 | C03 | C02 | C01 | 67.1° | 125.0° |
| N04 | C03 | C02 | H021 | 113.0° | 55.0° |
| N04 | C03 | H031 | H032 | 119.9° | 120.0° |
| C03 | C02 | C01 | H021 | 180.0° | 180.0° |
| C03 | C02 | C01 | H012 | 0.0° | 0.0° |
| C03 | C02 | C01 | H011 | 180.0° | 179.8° |
| C02 | C03 | H031 | H032 | 119.9° | 119.9° |
| C02 | C01 | H012 | H011 | 180.0° | 179.8° |
| C01 | C02 | C03 | H031 | 53.0° | 114.9° |
| C01 | C02 | C03 | H032 | 172.9° | 5.0° |
| H012 | C01 | C02 | H021 | 180.0° | NaN° |
| H011 | C01 | C02 | H021 | 0.0° | 0.2° |
| H021 | C02 | C03 | H031 | 127.0° | 65.1° |
| H021 | C02 | C03 | H032 | 7.1° | 175.0° |






