8NY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.37Å | 1.40Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.44Å | Aromatic |
| C3 | C4 | doub | 1.41Å | 1.44Å | Aromatic |
| C3 | N10 | sing | 1.37Å | 1.37Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.37Å | Aromatic |
| C4 | C8 | sing | 1.46Å | 1.40Å | Aromatic |
| C5 | C6 | doub | 1.36Å | 1.46Å | Aromatic |
| C6 | I7 | sing | 2.10Å | 2.11Å | |
| C8 | N9 | doub | 1.30Å | 1.34Å | Aromatic |
| N9 | N10 | sing | 1.40Å | 1.35Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N10 | HN10 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 119.1° | 120.8° |
| C1 | C2 | C3 | 116.8° | 119.9° |
| C2 | C1 | H1 | 120.4° | 119.6° |
| C1 | C2 | H2 | 121.6° | 120.0° |
| C1 | C6 | C5 | 124.2° | 120.7° |
| C1 | C6 | I7 | 116.6° | 119.7° |
| C6 | C1 | H1 | 120.5° | 119.6° |
| C2 | C3 | C4 | 124.0° | 119.4° |
| C2 | C3 | N10 | 129.6° | 133.9° |
| C3 | C2 | H2 | 121.6° | 120.1° |
| C4 | C3 | N10 | 106.4° | 106.7° |
| C3 | C4 | C5 | 118.8° | 119.6° |
| C3 | C4 | C8 | 104.7° | 106.3° |
| C3 | N10 | N9 | 110.8° | 109.1° |
| C3 | N10 | HN10 | 124.6° | 125.5° |
| C5 | C4 | C8 | 136.5° | 134.0° |
| C4 | C5 | C6 | 117.2° | 119.6° |
| C4 | C5 | H5 | 121.4° | 120.1° |
| C4 | C8 | N9 | 110.3° | 107.8° |
| C4 | C8 | H8 | 124.8° | 126.1° |
| C5 | C6 | I7 | 119.3° | 119.7° |
| C6 | C5 | H5 | 121.4° | 120.3° |
| C8 | N9 | N10 | 107.8° | 110.1° |
| N9 | C8 | H8 | 124.8° | 126.1° |
| N9 | N10 | HN10 | 124.6° | 125.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 179.8° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.3° | 0.0° |
| C1 | C2 | C3 | N10 | 179.9° | 180.0° |
| C2 | C1 | C6 | C5 | 0.5° | 0.0° |
| C2 | C1 | C6 | I7 | 178.3° | 180.0° |
| C6 | C1 | C2 | C3 | 0.0° | 0.0° |
| C1 | C6 | C5 | C4 | 0.6° | 0.0° |
| C1 | C6 | C5 | I7 | 178.7° | 180.0° |
| C6 | C1 | C2 | H2 | 180.0° | 180.0° |
| C1 | C6 | C5 | H5 | 179.4° | 179.9° |
| C2 | C3 | C4 | N10 | 179.8° | 180.0° |
| C2 | C3 | C4 | C5 | 0.2° | 0.0° |
| C2 | C3 | C4 | C8 | 179.9° | 180.0° |
| C2 | C3 | N10 | N9 | 179.3° | 180.0° |
| C3 | C2 | C1 | H1 | 180.0° | 179.8° |
| C2 | C3 | N10 | HN10 | 0.7° | 0.0° |
| C3 | C4 | C5 | C8 | 179.8° | 180.0° |
| C3 | C4 | C5 | C6 | 0.2° | 0.0° |
| C3 | C4 | C8 | N9 | 0.7° | 0.0° |
| C4 | C3 | N10 | N9 | 0.9° | 0.0° |
| C4 | C3 | C2 | H2 | 179.6° | 180.0° |
| C3 | C4 | C5 | H5 | 179.8° | 179.9° |
| C3 | C4 | C8 | H8 | 179.3° | 179.9° |
| C4 | C3 | N10 | HN10 | 179.1° | 180.0° |
| N10 | C3 | C4 | C5 | 180.0° | 180.0° |
| N10 | C3 | C4 | C8 | 0.1° | 0.0° |
| C3 | N10 | N9 | C8 | 1.3° | 0.0° |
| C3 | N10 | N9 | HN10 | 180.0° | 180.0° |
| N10 | C3 | C2 | H2 | 0.1° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | I7 | 178.1° | 180.0° |
| C5 | C4 | C8 | N9 | 179.1° | 180.0° |
| C5 | C4 | C8 | H8 | 0.9° | 0.1° |
| C8 | C4 | C5 | C6 | 179.6° | 180.0° |
| C4 | C8 | N9 | H8 | 180.0° | 179.9° |
| C4 | C8 | N9 | N10 | 1.2° | 0.0° |
| C8 | C4 | C5 | H5 | 0.4° | 0.1° |
| C5 | C6 | C1 | H1 | 179.5° | 179.8° |
| I7 | C6 | C1 | H1 | 1.7° | 0.2° |
| I7 | C6 | C5 | H5 | 1.9° | 0.1° |
| C8 | N9 | N10 | HN10 | 178.7° | 180.0° |
| N10 | N9 | C8 | H8 | 178.8° | 179.9° |
| H1 | C1 | C2 | H2 | 0.0° | 0.2° |
