7JL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | N11 | sing | 1.36Å | 1.44Å | |
| C10 | N9 | doub | 1.30Å | 1.30Å | |
| N11 | C12 | sing | 1.35Å | 1.37Å | |
| N9 | C8 | sing | 1.36Å | 1.39Å | |
| C12 | O13 | doub | 1.22Å | 1.27Å | |
| C12 | C7 | sing | 1.47Å | 1.43Å | |
| C8 | C7 | doub | 1.41Å | 1.44Å | Aromatic |
| C8 | C4 | sing | 1.40Å | 1.40Å | Aromatic |
| C7 | C1 | sing | 1.39Å | 1.37Å | Aromatic |
| O6 | C4 | sing | 1.36Å | 1.39Å | |
| C4 | C3 | doub | 1.38Å | 1.37Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.40Å | Aromatic |
| C2 | BR5 | sing | 1.89Å | 1.86Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C1 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| O6 | H4 | sing | 0.97Å | 0.95Å | |
| N11 | H5 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N11 | C10 | N9 | 120.9° | 123.3° |
| C10 | N11 | C12 | 118.5° | 120.6° |
| N11 | C10 | H1 | 119.6° | 118.3° |
| C10 | N11 | H5 | 120.7° | 119.7° |
| C10 | N9 | C8 | 122.5° | 121.7° |
| N9 | C10 | H1 | 119.5° | 118.4° |
| N11 | C12 | O13 | 115.4° | 121.3° |
| N11 | C12 | C7 | 121.9° | 117.4° |
| C12 | N11 | H5 | 120.7° | 119.7° |
| N9 | C8 | C7 | 119.9° | 119.0° |
| N9 | C8 | C4 | 124.7° | 121.7° |
| O13 | C12 | C7 | 122.5° | 121.3° |
| C12 | C7 | C8 | 116.3° | 118.0° |
| C12 | C7 | C1 | 124.4° | 121.9° |
| C7 | C8 | C4 | 115.4° | 119.3° |
| C8 | C7 | C1 | 119.3° | 120.1° |
| C8 | C4 | O6 | 111.2° | 120.2° |
| C8 | C4 | C3 | 127.5° | 119.6° |
| C7 | C1 | C2 | 121.5° | 119.6° |
| C7 | C1 | H2 | 119.2° | 120.2° |
| O6 | C4 | C3 | 121.2° | 120.2° |
| C4 | O6 | H4 | 109.5° | 114.0° |
| C4 | C3 | C2 | 114.4° | 120.7° |
| C4 | C3 | H3 | 122.8° | 119.7° |
| C1 | C2 | C3 | 121.7° | 120.6° |
| C1 | C2 | BR5 | 123.2° | 119.7° |
| C2 | C1 | H2 | 119.3° | 120.2° |
| C3 | C2 | BR5 | 115.0° | 119.7° |
| C2 | C3 | H3 | 122.8° | 119.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N11 | C10 | N9 | H1 | 180.0° | 179.9° |
| C10 | N11 | C12 | H5 | 180.0° | 179.9° |
| N11 | C10 | N9 | C8 | 2.1° | 0.0° |
| C10 | N11 | C12 | O13 | 177.0° | 180.0° |
| C10 | N11 | C12 | C7 | 2.3° | 0.0° |
| N9 | C10 | N11 | C12 | 2.9° | 0.1° |
| C10 | N9 | C8 | C7 | 0.8° | 0.0° |
| C10 | N9 | C8 | C4 | 179.9° | 180.0° |
| N9 | C10 | N11 | H5 | 177.1° | 180.0° |
| N11 | C12 | O13 | C7 | 174.7° | 180.0° |
| N11 | C12 | C7 | C8 | 1.0° | 0.0° |
| N11 | C12 | C7 | C1 | 178.4° | 180.0° |
| C12 | N11 | C10 | H1 | 177.1° | 180.0° |
| N9 | C8 | C7 | C12 | 0.2° | 0.1° |
| N9 | C8 | C7 | C4 | 179.4° | 179.9° |
| N9 | C8 | C7 | C1 | 179.3° | 180.0° |
| N9 | C8 | C4 | O6 | 0.1° | 0.3° |
| N9 | C8 | C4 | C3 | 176.2° | 180.0° |
| C8 | N9 | C10 | H1 | 177.9° | 180.0° |
| O13 | C12 | C7 | C8 | 175.3° | 180.0° |
| O13 | C12 | C7 | C1 | 4.1° | 0.0° |
| O13 | C12 | N11 | H5 | 3.0° | 0.0° |
| C12 | C7 | C8 | C1 | 179.5° | 180.0° |
| C12 | C7 | C8 | C4 | 179.6° | 180.0° |
| C12 | C7 | C1 | C2 | 179.1° | 180.0° |
| C12 | C7 | C1 | H2 | 0.9° | 0.0° |
| C7 | C12 | N11 | H5 | 177.7° | 180.0° |
| C7 | C8 | C4 | O6 | 179.5° | 179.8° |
| C7 | C8 | C4 | C3 | 3.2° | 0.0° |
| C8 | C7 | C1 | C2 | 0.4° | 0.1° |
| C8 | C7 | C1 | H2 | 179.7° | 180.0° |
| C4 | C8 | C7 | C1 | 0.1° | 0.1° |
| C8 | C4 | O6 | C3 | 176.6° | 179.7° |
| C8 | C4 | C3 | C2 | 5.2° | 0.0° |
| C8 | C4 | C3 | H3 | 174.8° | 180.0° |
| C8 | C4 | O6 | H4 | 180.0° | 89.7° |
| C7 | C1 | C2 | H2 | 180.0° | 180.0° |
| C7 | C1 | C2 | C3 | 1.9° | 0.0° |
| C7 | C1 | C2 | BR5 | 177.9° | 180.0° |
| O6 | C4 | C3 | C2 | 178.8° | 179.8° |
| O6 | C4 | C3 | H3 | 1.2° | 0.3° |
| C4 | C3 | C2 | C1 | 4.4° | 0.0° |
| C4 | C3 | C2 | H3 | 180.0° | 179.9° |
| C4 | C3 | C2 | BR5 | 179.4° | 180.0° |
| C3 | C4 | O6 | H4 | 3.4° | 90.0° |
| C1 | C2 | C3 | BR5 | 176.3° | 180.0° |
| C1 | C2 | C3 | H3 | 175.6° | 180.0° |
| C3 | C2 | C1 | H2 | 178.0° | 180.0° |
| BR5 | C2 | C1 | H2 | 2.1° | 0.0° |
| BR5 | C2 | C3 | H3 | 0.6° | 0.0° |
| H1 | C10 | N11 | H5 | 2.9° | 0.1° |
