R6X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| BR09 | C08 | sing | 1.89Å | 1.93Å | |
| O06 | C04 | doub | 1.22Å | 1.26Å | |
| N07 | C08 | sing | 1.35Å | 1.47Å | |
| N07 | C03 | sing | 1.37Å | 1.47Å | |
| C04 | O05 | sing | 1.35Å | 1.25Å | |
| C04 | C03 | sing | 1.47Å | 1.55Å | |
| C08 | C10 | doub | 1.36Å | 1.51Å | |
| C03 | C02 | doub | 1.37Å | 1.55Å | |
| C10 | C11 | sing | 1.41Å | 1.47Å | |
| C02 | C11 | sing | 1.47Å | 1.51Å | |
| C02 | O01 | sing | 1.36Å | 1.38Å | |
| C11 | O12 | doub | 1.22Å | 1.19Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| N07 | H071 | sing | 0.97Å | 1.00Å | |
| O01 | H1 | sing | 0.97Å | 0.95Å | |
| O05 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| BR09 | C08 | N07 | 119.4° | 119.1° |
| BR09 | C08 | C10 | 118.8° | 119.1° |
| O06 | C04 | O05 | 115.4° | 119.9° |
| O06 | C04 | C03 | 118.9° | 120.1° |
| C08 | N07 | C03 | 120.8° | 122.0° |
| N07 | C08 | C10 | 121.8° | 121.7° |
| C08 | N07 | H071 | 119.6° | 119.0° |
| N07 | C03 | C04 | 111.8° | 119.9° |
| N07 | C03 | C02 | 118.0° | 120.2° |
| C03 | N07 | H071 | 119.6° | 118.9° |
| O05 | C04 | C03 | 125.6° | 120.0° |
| C04 | O05 | H2 | 109.5° | 117.0° |
| C04 | C03 | C02 | 130.2° | 119.9° |
| C08 | C10 | C11 | 119.2° | 119.6° |
| C08 | C10 | H101 | 120.3° | 120.3° |
| C03 | C02 | C11 | 120.5° | 118.4° |
| C03 | C02 | O01 | 123.1° | 120.8° |
| C10 | C11 | C02 | 119.6° | 118.1° |
| C10 | C11 | O12 | 115.8° | 121.0° |
| C11 | C10 | H101 | 120.4° | 120.2° |
| C11 | C02 | O01 | 116.3° | 120.8° |
| C02 | C11 | O12 | 124.6° | 120.9° |
| C02 | O01 | H1 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| BR09 | C08 | N07 | C10 | 179.8° | 179.5° |
| BR09 | C08 | N07 | C03 | 179.6° | 179.7° |
| BR09 | C08 | C10 | C11 | 179.2° | 180.0° |
| BR09 | C08 | C10 | H101 | 0.8° | 0.4° |
| BR09 | C08 | N07 | H071 | 0.4° | 0.4° |
| O06 | C04 | C03 | N07 | 6.1° | 180.0° |
| O06 | C04 | O05 | C03 | 179.3° | 180.0° |
| O06 | C04 | C03 | C02 | 174.6° | 0.0° |
| O06 | C04 | O05 | H2 | 0.0° | 0.0° |
| C08 | N07 | C03 | H071 | 180.0° | 179.8° |
| C08 | N07 | C03 | C04 | 179.7° | 179.9° |
| C08 | N07 | C03 | C02 | 0.3° | 0.1° |
| N07 | C08 | C10 | C11 | 0.6° | 0.5° |
| N07 | C08 | C10 | H101 | 179.4° | 180.0° |
| N07 | C03 | C04 | O05 | 173.2° | 0.0° |
| N07 | C03 | C04 | C02 | 179.2° | 180.0° |
| C03 | N07 | C08 | C10 | 0.1° | 0.2° |
| N07 | C03 | C02 | C11 | 0.3° | 0.0° |
| N07 | C03 | C02 | O01 | 179.3° | 179.7° |
| O05 | C04 | C03 | C02 | 6.1° | 180.0° |
| C04 | C03 | C02 | C11 | 179.5° | 180.0° |
| C04 | C03 | C02 | O01 | 0.1° | 0.3° |
| C04 | C03 | N07 | H071 | 0.3° | 0.2° |
| C03 | C04 | O05 | H2 | 179.3° | 179.9° |
| C08 | C10 | C11 | H101 | 180.0° | 179.5° |
| C08 | C10 | C11 | C02 | 0.6° | 0.5° |
| C08 | C10 | C11 | O12 | 179.9° | 179.5° |
| C10 | C08 | N07 | H071 | 179.9° | 180.0° |
| C03 | C02 | C11 | C10 | 0.2° | 0.3° |
| C03 | C02 | C11 | O01 | 179.6° | 179.7° |
| C03 | C02 | C11 | O12 | 179.6° | 179.7° |
| C02 | C03 | N07 | H071 | 179.7° | 179.8° |
| C03 | C02 | O01 | H1 | 179.9° | 179.7° |
| C10 | C11 | C02 | O12 | 179.5° | 180.0° |
| C10 | C11 | C02 | O01 | 179.8° | 180.0° |
| C02 | C11 | C10 | H101 | 179.4° | 180.0° |
| C11 | C02 | O01 | H1 | 0.3° | 0.0° |
| O01 | C02 | C11 | O12 | 0.8° | 0.0° |
| O12 | C11 | C10 | H101 | 0.1° | 0.0° |
