K32
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| BR1 | C5 | sing | 1.90Å | 1.90Å | |
| C5 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C2 | doub | 1.40Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.41Å | 1.39Å | Aromatic |
| C2 | BR2 | sing | 1.92Å | 1.88Å | |
| C7 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
| C7 | N14 | sing | 1.39Å | 1.34Å | |
| N14 | C13 | sing | 1.42Å | 1.34Å | |
| N14 | H14 | sing | 1.01Å | 1.00Å | |
| C13 | N6 | sing | 1.42Å | 1.35Å | |
| C13 | O10 | doub | 1.22Å | 1.29Å | |
| N6 | C8 | sing | 1.40Å | 1.35Å | |
| N6 | H6 | sing | 1.01Å | 1.00Å | |
| C8 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | BR3 | sing | 1.90Å | 1.87Å | |
| C4 | C3 | doub | 1.40Å | 1.40Å | Aromatic |
| C3 | BR4 | sing | 1.92Å | 1.93Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| BR1 | C5 | C7 | 117.6° | 118.6° |
| BR1 | C5 | C2 | 121.5° | 124.7° |
| C7 | C5 | C2 | 121.0° | 116.7° |
| C5 | C7 | C8 | 119.2° | 122.1° |
| C5 | C7 | N14 | 131.5° | 129.5° |
| C5 | C2 | C3 | 121.3° | 121.1° |
| C5 | C2 | BR2 | 119.1° | 118.6° |
| C3 | C2 | BR2 | 119.6° | 120.3° |
| C2 | C3 | C4 | 116.5° | 121.1° |
| C2 | C3 | BR4 | 121.2° | 120.3° |
| C8 | C7 | N14 | 109.3° | 108.4° |
| C7 | C8 | N6 | 108.8° | 108.4° |
| C7 | C8 | C4 | 118.6° | 122.2° |
| C7 | N14 | C13 | 103.3° | 108.6° |
| C7 | N14 | H14 | 128.3° | 125.7° |
| C13 | N14 | H14 | 128.3° | 125.7° |
| N14 | C13 | N6 | 115.8° | 105.9° |
| N14 | C13 | O10 | 120.3° | 127.0° |
| N6 | C13 | O10 | 123.8° | 127.1° |
| C13 | N6 | C8 | 102.8° | 108.6° |
| C13 | N6 | H6 | 128.6° | 126.4° |
| C8 | N6 | H6 | 128.6° | 125.0° |
| N6 | C8 | C4 | 132.6° | 129.4° |
| C8 | C4 | BR3 | 116.5° | 118.7° |
| C8 | C4 | C3 | 123.4° | 116.7° |
| BR3 | C4 | C3 | 120.2° | 124.6° |
| C4 | C3 | BR4 | 122.3° | 118.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| BR1 | C5 | C7 | C2 | 179.7° | 180.0° |
| BR1 | C5 | C2 | C3 | 179.8° | 180.0° |
| BR1 | C5 | C2 | BR2 | 0.3° | 0.1° |
| BR1 | C5 | C7 | C8 | 179.7° | 179.9° |
| BR1 | C5 | C7 | N14 | 0.1° | 0.0° |
| C7 | C5 | C2 | C3 | 0.1° | 0.0° |
| C7 | C5 | C2 | BR2 | 179.4° | 179.9° |
| C5 | C7 | C8 | N14 | 179.8° | 180.0° |
| C5 | C7 | N14 | C13 | 179.9° | 179.9° |
| C5 | C7 | N14 | H14 | 0.1° | 0.0° |
| C5 | C7 | C8 | N6 | 179.7° | 179.9° |
| C5 | C7 | C8 | C4 | 0.7° | 0.0° |
| C5 | C2 | C3 | BR2 | 179.5° | 179.9° |
| C2 | C5 | C7 | C8 | 0.7° | 0.0° |
| C2 | C5 | C7 | N14 | 179.6° | 180.0° |
| C5 | C2 | C3 | C4 | 0.4° | 0.1° |
| C5 | C2 | C3 | BR4 | 179.4° | 180.0° |
| C2 | C3 | C4 | C8 | 0.3° | 0.1° |
| C2 | C3 | C4 | BR3 | 178.9° | 180.0° |
| C2 | C3 | C4 | BR4 | 179.7° | 179.9° |
| BR2 | C2 | C3 | C4 | 179.8° | 180.0° |
| BR2 | C2 | C3 | BR4 | 0.1° | 0.1° |
| C8 | C7 | N14 | C13 | 0.1° | 0.0° |
| C8 | C7 | N14 | H14 | 179.9° | 180.0° |
| C7 | C8 | N6 | C13 | 0.2° | 0.0° |
| C7 | C8 | N6 | C4 | 179.5° | 180.0° |
| C7 | C8 | N6 | H6 | 179.8° | 179.9° |
| C7 | C8 | C4 | BR3 | 179.4° | 180.0° |
| C7 | C8 | C4 | C3 | 0.2° | 0.0° |
| C7 | N14 | C13 | H14 | 180.0° | 179.9° |
| C7 | N14 | C13 | N6 | 0.3° | 0.0° |
| C7 | N14 | C13 | O10 | 180.0° | 180.0° |
| N14 | C7 | C8 | N6 | 0.1° | 0.0° |
| N14 | C7 | C8 | C4 | 179.5° | 180.0° |
| N14 | C13 | N6 | O10 | 179.7° | 180.0° |
| N14 | C13 | N6 | C8 | 0.3° | 0.0° |
| N14 | C13 | N6 | H6 | 179.7° | 179.9° |
| H14 | N14 | C13 | N6 | 179.7° | 179.9° |
| H14 | N14 | C13 | O10 | 0.0° | 0.0° |
| C13 | N6 | C8 | H6 | 180.0° | 179.9° |
| C13 | N6 | C8 | C4 | 179.2° | 180.0° |
| O10 | C13 | N6 | C8 | 180.0° | 180.0° |
| O10 | C13 | N6 | H6 | 0.0° | 0.2° |
| N6 | C8 | C4 | BR3 | 1.1° | 0.1° |
| N6 | C8 | C4 | C3 | 179.7° | 180.0° |
| H6 | N6 | C8 | C4 | 0.7° | 0.2° |
| C8 | C4 | BR3 | C3 | 179.2° | 179.9° |
| C8 | C4 | C3 | BR4 | 179.4° | 180.0° |
| BR3 | C4 | C3 | BR4 | 1.4° | 0.1° |
