R6O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| BR08 | C07 | sing | 1.89Å | 1.94Å | |
| N06 | C07 | sing | 1.35Å | 1.48Å | |
| N06 | C03 | sing | 1.37Å | 1.48Å | |
| N05 | C04 | trip | 1.14Å | 1.13Å | |
| C07 | C09 | doub | 1.35Å | 1.52Å | |
| C04 | C03 | sing | 1.43Å | 1.52Å | |
| C03 | C02 | doub | 1.38Å | 1.53Å | |
| C09 | C10 | sing | 1.41Å | 1.49Å | |
| C02 | C10 | sing | 1.47Å | 1.49Å | |
| C02 | O01 | sing | 1.36Å | 1.39Å | |
| C10 | O11 | doub | 1.22Å | 1.18Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| N06 | H061 | sing | 0.97Å | 1.00Å | |
| O01 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| BR08 | C07 | N06 | 120.2° | 119.1° |
| BR08 | C07 | C09 | 119.6° | 119.1° |
| C07 | N06 | C03 | 120.1° | 121.9° |
| N06 | C07 | C09 | 120.3° | 121.8° |
| C07 | N06 | H061 | 120.0° | 119.0° |
| N06 | C03 | C04 | 118.9° | 120.0° |
| N06 | C03 | C02 | 120.1° | 120.1° |
| C03 | N06 | H061 | 120.0° | 119.0° |
| N05 | C04 | C03 | 179.8° | 179.9° |
| C07 | C09 | C10 | 119.8° | 119.7° |
| C07 | C09 | H091 | 120.1° | 120.2° |
| C04 | C03 | C02 | 120.9° | 119.9° |
| C03 | C02 | C10 | 119.9° | 118.4° |
| C03 | C02 | O01 | 120.6° | 120.8° |
| C09 | C10 | C02 | 119.9° | 118.2° |
| C09 | C10 | O11 | 119.6° | 120.9° |
| C10 | C09 | H091 | 120.1° | 120.1° |
| C10 | C02 | O01 | 119.6° | 120.8° |
| C02 | C10 | O11 | 120.6° | 120.9° |
| C02 | O01 | H1 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| BR08 | C07 | N06 | C09 | 179.9° | 179.4° |
| BR08 | C07 | N06 | C03 | 180.0° | 179.7° |
| BR08 | C07 | C09 | C10 | 179.9° | 180.0° |
| BR08 | C07 | C09 | H091 | 0.0° | 0.5° |
| BR08 | C07 | N06 | H061 | 0.0° | 0.5° |
| C07 | N06 | C03 | H061 | 180.0° | 179.8° |
| C07 | N06 | C03 | C04 | 179.7° | 180.0° |
| C07 | N06 | C03 | C02 | 0.0° | 0.0° |
| N06 | C07 | C09 | C10 | 0.0° | 0.6° |
| N06 | C07 | C09 | H091 | 180.0° | 179.9° |
| N06 | C03 | C04 | N05 | 177.9° | 34.6° |
| C03 | N06 | C07 | C09 | 0.1° | 0.3° |
| N06 | C03 | C04 | C02 | 179.7° | 180.0° |
| N06 | C03 | C02 | C10 | 0.1° | 0.0° |
| N06 | C03 | C02 | O01 | 180.0° | 179.7° |
| N05 | C04 | C03 | C02 | 2.4° | 145.4° |
| C07 | C09 | C10 | H091 | 180.0° | 179.5° |
| C07 | C09 | C10 | C02 | 0.1° | 0.6° |
| C07 | C09 | C10 | O11 | 179.9° | 179.4° |
| C09 | C07 | N06 | H061 | 179.9° | 179.9° |
| C04 | C03 | C02 | C10 | 179.6° | 180.0° |
| C04 | C03 | C02 | O01 | 0.3° | 0.3° |
| C04 | C03 | N06 | H061 | 0.3° | 0.2° |
| C03 | C02 | C10 | C09 | 0.1° | 0.3° |
| C03 | C02 | C10 | O01 | 180.0° | 179.7° |
| C03 | C02 | C10 | O11 | 179.9° | 179.7° |
| C02 | C03 | N06 | H061 | 180.0° | 179.8° |
| C03 | C02 | O01 | H1 | 180.0° | 179.8° |
| C09 | C10 | C02 | O11 | 179.8° | 180.0° |
| C09 | C10 | C02 | O01 | 179.9° | 180.0° |
| C02 | C10 | C09 | H091 | 179.9° | 180.0° |
| C10 | C02 | O01 | H1 | 0.0° | 0.0° |
| O01 | C02 | C10 | O11 | 0.1° | 0.0° |
| O11 | C10 | C09 | H091 | 0.1° | 0.0° |
