27Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| BR | C04 | sing | 1.89Å | 1.95Å | |
| C06 | C04 | doub | 1.35Å | 1.39Å | |
| C06 | N07 | sing | 1.36Å | 1.34Å | |
| C04 | C03 | sing | 1.40Å | 1.40Å | |
| N07 | C08 | sing | 1.35Å | 1.33Å | |
| C03 | C02 | doub | 1.37Å | 1.40Å | |
| C08 | C02 | sing | 1.41Å | 1.39Å | |
| C08 | O09 | doub | 1.22Å | 1.35Å | |
| C02 | O01 | sing | 1.36Å | 1.37Å | |
| O01 | H1 | sing | 0.97Å | 0.95Å | |
| C03 | H2 | sing | 1.08Å | 1.08Å | |
| C06 | H4 | sing | 1.08Å | 1.08Å | |
| N07 | H3 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| BR | C04 | C06 | 119.3° | 120.0° |
| BR | C04 | C03 | 120.4° | 120.0° |
| C04 | C06 | N07 | 120.3° | 120.7° |
| C06 | C04 | C03 | 120.3° | 120.0° |
| C04 | C06 | H4 | 119.9° | 119.6° |
| C06 | N07 | C08 | 121.4° | 120.8° |
| N07 | C06 | H4 | 119.9° | 119.6° |
| C06 | N07 | H3 | 119.3° | 119.6° |
| C04 | C03 | C02 | 117.3° | 119.2° |
| C04 | C03 | H2 | 121.3° | 120.4° |
| N07 | C08 | C02 | 120.8° | 120.0° |
| N07 | C08 | O09 | 119.9° | 120.0° |
| C08 | N07 | H3 | 119.3° | 119.7° |
| C03 | C02 | C08 | 119.8° | 119.2° |
| C03 | C02 | O01 | 120.5° | 120.4° |
| C02 | C03 | H2 | 121.4° | 120.4° |
| C02 | C08 | O09 | 119.3° | 120.0° |
| C08 | C02 | O01 | 119.7° | 120.4° |
| C02 | O01 | H1 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| BR | C04 | C06 | C03 | 179.7° | 180.0° |
| BR | C04 | C06 | N07 | 179.6° | 180.0° |
| BR | C04 | C03 | C02 | 179.9° | 180.0° |
| BR | C04 | C03 | H2 | 0.1° | 0.0° |
| BR | C04 | C06 | H4 | 0.4° | 0.1° |
| C04 | C06 | N07 | H4 | 180.0° | 179.9° |
| C04 | C06 | N07 | C08 | 0.5° | 0.3° |
| C06 | C04 | C03 | C02 | 0.4° | 0.0° |
| C06 | C04 | C03 | H2 | 179.6° | 179.9° |
| C04 | C06 | N07 | H3 | 179.5° | 179.9° |
| N07 | C06 | C04 | C03 | 0.6° | 0.0° |
| C06 | N07 | C08 | H3 | 180.0° | 179.8° |
| C06 | N07 | C08 | C02 | 0.0° | 0.5° |
| C06 | N07 | C08 | O09 | 178.6° | 180.0° |
| C04 | C03 | C02 | H2 | 180.0° | 180.0° |
| C04 | C03 | C02 | C08 | 0.1° | 0.3° |
| C04 | C03 | C02 | O01 | 178.6° | 180.0° |
| C03 | C04 | C06 | H4 | 179.4° | 179.9° |
| N07 | C08 | C02 | C03 | 0.2° | 0.5° |
| N07 | C08 | C02 | O09 | 178.6° | 179.5° |
| N07 | C08 | C02 | O01 | 178.8° | 179.8° |
| C08 | N07 | C06 | H4 | 179.5° | 179.8° |
| C03 | C02 | C08 | O01 | 178.5° | 179.7° |
| C03 | C02 | C08 | O09 | 178.4° | 180.0° |
| C03 | C02 | O01 | H1 | 178.4° | 180.0° |
| C08 | C02 | O01 | H1 | 0.1° | 0.3° |
| C08 | C02 | C03 | H2 | 179.9° | 179.7° |
| C02 | C08 | N07 | H3 | 180.0° | 179.7° |
| O09 | C08 | C02 | O01 | 0.2° | 0.3° |
| O09 | C08 | N07 | H3 | 1.4° | 0.2° |
| O01 | C02 | C03 | H2 | 1.4° | 0.0° |
| H4 | C06 | N07 | H3 | 0.4° | 0.0° |
