T6U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C08 | C07 | sing | 1.51Å | 1.53Å | |
| BR12 | C11 | sing | 1.89Å | 1.94Å | |
| C07 | N09 | doub | 1.31Å | 1.33Å | Aromatic |
| C07 | O06 | sing | 1.34Å | 1.32Å | Aromatic |
| N09 | C04 | sing | 1.35Å | 1.35Å | Aromatic |
| N10 | C11 | sing | 1.35Å | 1.48Å | |
| N10 | C03 | sing | 1.37Å | 1.48Å | |
| C11 | C13 | doub | 1.35Å | 1.53Å | |
| O06 | N05 | sing | 1.21Å | 1.33Å | Aromatic |
| C04 | N05 | doub | 1.31Å | 1.33Å | Aromatic |
| C04 | C03 | sing | 1.48Å | 1.53Å | |
| C03 | C02 | doub | 1.37Å | 1.53Å | |
| C13 | C14 | sing | 1.41Å | 1.49Å | |
| C02 | C14 | sing | 1.42Å | 1.49Å | |
| C02 | O01 | sing | 1.36Å | 1.40Å | |
| C14 | O15 | doub | 1.22Å | 1.18Å | |
| C08 | H083 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| N10 | H101 | 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) |
| C08 | C07 | N09 | 126.2° | 126.4° |
| C08 | C07 | O06 | 126.2° | 126.4° |
| C07 | C08 | H083 | 109.5° | 109.5° |
| C07 | C08 | H082 | 109.5° | 109.5° |
| C07 | C08 | H081 | 109.5° | 109.5° |
| BR12 | C11 | N10 | 119.7° | 119.6° |
| BR12 | C11 | C13 | 120.3° | 119.5° |
| N09 | C07 | O06 | 107.6° | 107.1° |
| C07 | N09 | C04 | 107.7° | 105.6° |
| C07 | O06 | N05 | 109.4° | 110.1° |
| N09 | C04 | N05 | 107.7° | 107.2° |
| N09 | C04 | C03 | 125.5° | 126.4° |
| C11 | N10 | C03 | 120.2° | 121.4° |
| N10 | C11 | C13 | 120.0° | 120.9° |
| C11 | N10 | H101 | 119.9° | 119.4° |
| N10 | C03 | C04 | 118.7° | 119.9° |
| N10 | C03 | C02 | 120.1° | 120.3° |
| C03 | N10 | H101 | 119.9° | 119.3° |
| C11 | C13 | C14 | 119.9° | 119.5° |
| C11 | C13 | H131 | 120.0° | 120.2° |
| O06 | N05 | C04 | 107.6° | 110.0° |
| N05 | C04 | C03 | 126.8° | 126.4° |
| C04 | C03 | C02 | 121.1° | 119.9° |
| C03 | C02 | C14 | 119.7° | 119.1° |
| C03 | C02 | O01 | 120.6° | 120.4° |
| C13 | C14 | C02 | 120.0° | 118.8° |
| C13 | C14 | O15 | 120.0° | 120.6° |
| C14 | C13 | H131 | 120.0° | 120.3° |
| C14 | C02 | O01 | 119.8° | 120.5° |
| C02 | C14 | O15 | 120.0° | 120.6° |
| C02 | O01 | H1 | 109.5° | 114.0° |
| H083 | C08 | H082 | 109.5° | 109.5° |
| H083 | C08 | H081 | 109.5° | 109.4° |
| H082 | C08 | H081 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C08 | C07 | N09 | O06 | 179.7° | 179.7° |
| C08 | C07 | N09 | C04 | 180.0° | 180.0° |
| C08 | C07 | O06 | N05 | 179.9° | 179.8° |
| C07 | C08 | H083 | H082 | 120.0° | 120.0° |
| C07 | C08 | H083 | H081 | 120.0° | 120.0° |
| C07 | C08 | H082 | H081 | 120.0° | 120.0° |
| BR12 | C11 | N10 | C13 | 179.9° | 179.5° |
| BR12 | C11 | N10 | C03 | 180.0° | 179.7° |
| BR12 | C11 | C13 | C14 | 180.0° | 180.0° |
| BR12 | C11 | C13 | H131 | 0.0° | 0.5° |
| BR12 | C11 | N10 | H101 | 0.0° | 0.4° |
| N09 | C07 | O06 | N05 | 0.1° | 0.5° |
| C07 | N09 | C04 | N05 | 0.3° | 0.0° |
| C07 | N09 | C04 | C03 | 179.8° | 179.7° |
| N09 | C07 | C08 | H083 | 0.0° | 89.9° |
| N09 | C07 | C08 | H082 | 120.0° | 150.0° |
| N09 | C07 | C08 | H081 | 120.0° | 30.0° |
| O06 | C07 | N09 | C04 | 0.3° | 0.3° |
| C07 | O06 | N05 | C04 | 0.0° | 0.5° |
| O06 | C07 | C08 | H083 | 179.7° | 89.7° |
| O06 | C07 | C08 | H082 | 59.7° | 30.3° |
| O06 | C07 | C08 | H081 | 60.3° | 150.3° |
| N09 | C04 | C03 | N10 | 44.1° | 0.2° |
| N09 | C04 | N05 | O06 | 0.2° | 0.3° |
| N09 | C04 | N05 | C03 | 179.5° | 179.7° |
| N09 | C04 | C03 | C02 | 135.7° | 179.7° |
| C11 | N10 | C03 | H101 | 180.0° | 179.8° |
| C11 | N10 | C03 | C04 | 179.8° | 180.0° |
| C11 | N10 | C03 | C02 | 0.1° | 0.1° |
| N10 | C11 | C13 | C14 | 0.1° | 0.5° |
| N10 | C11 | C13 | H131 | 179.9° | 180.0° |
| C03 | N10 | C11 | C13 | 0.0° | 0.2° |
| N10 | C03 | C04 | N05 | 135.3° | 179.9° |
| N10 | C03 | C04 | C02 | 179.8° | 179.9° |
| N10 | C03 | C02 | C14 | 0.1° | 0.0° |
| N10 | C03 | C02 | O01 | 180.0° | 179.7° |
| C11 | C13 | C14 | H131 | 180.0° | 179.5° |
| C11 | C13 | C14 | C02 | 0.0° | 0.5° |
| C11 | C13 | C14 | O15 | 179.9° | 179.5° |
| C13 | C11 | N10 | H101 | 180.0° | 180.0° |
| O06 | N05 | C04 | C03 | 179.7° | 180.0° |
| N05 | C04 | C03 | C02 | 45.0° | 0.0° |
| C04 | C03 | C02 | C14 | 179.9° | 180.0° |
| C04 | C03 | C02 | O01 | 0.2° | 0.3° |
| C04 | C03 | N10 | H101 | 0.2° | 0.1° |
| C03 | C02 | C14 | C13 | 0.1° | 0.3° |
| C03 | C02 | C14 | O01 | 179.9° | 179.7° |
| C03 | C02 | C14 | O15 | 180.0° | 179.7° |
| C02 | C03 | N10 | H101 | 179.9° | 179.8° |
| C03 | C02 | O01 | H1 | 179.9° | 179.7° |
| C13 | C14 | C02 | O15 | 180.0° | 180.0° |
| C13 | C14 | C02 | O01 | 179.9° | 179.9° |
| C02 | C14 | C13 | H131 | 180.0° | 180.0° |
| C14 | C02 | O01 | H1 | 0.1° | 0.1° |
| O01 | C02 | C14 | O15 | 0.1° | 0.1° |
| O15 | C14 | C13 | H131 | 0.1° | 0.0° |
| H083 | C08 | H082 | H081 | 120.0° | 120.0° |
