7R8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C10 | doub | 1.36Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.40Å | 1.39Å | Aromatic |
| C10 | C6 | sing | 1.41Å | 1.39Å | Aromatic |
| O1 | C8 | sing | 1.36Å | 1.37Å | |
| C8 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| N2 | C11 | doub | 1.30Å | 1.34Å | |
| C6 | C1 | doub | 1.40Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.42Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C2 | sing | 1.48Å | 1.40Å | |
| C11 | N1 | sing | 1.38Å | 1.33Å | |
| C7 | C5 | sing | 1.40Å | 1.39Å | Aromatic |
| C5 | C4 | doub | 1.41Å | 1.41Å | Aromatic |
| C2 | C3 | doub | 1.41Å | 1.40Å | Aromatic |
| C3 | C4 | sing | 1.36Å | 1.40Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C1 | H3 | sing | 1.08Å | 1.08Å | |
| O1 | H4 | sing | 0.97Å | 0.95Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| N2 | H8 | sing | 0.97Å | 1.00Å | |
| N1 | H9 | sing | 0.97Å | 1.00Å | |
| N1 | H10 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C9 | C8 | 120.2° | 120.9° |
| C9 | C10 | C6 | 119.0° | 119.9° |
| C9 | C10 | H5 | 120.5° | 120.1° |
| C10 | C9 | H6 | 119.9° | 119.5° |
| C9 | C8 | O1 | 118.6° | 119.6° |
| C9 | C8 | C7 | 120.4° | 120.7° |
| C8 | C9 | H6 | 119.9° | 119.5° |
| C10 | C6 | C1 | 118.3° | 121.0° |
| C10 | C6 | C5 | 121.6° | 119.6° |
| C6 | C10 | H5 | 120.5° | 120.1° |
| O1 | C8 | C7 | 121.0° | 119.6° |
| C8 | O1 | H4 | 109.5° | 114.0° |
| C8 | C7 | C5 | 119.8° | 119.6° |
| C8 | C7 | H7 | 120.1° | 120.3° |
| N2 | C11 | C2 | 120.4° | 120.0° |
| N2 | C11 | N1 | 120.3° | 120.0° |
| C11 | N2 | H8 | 112.0° | 120.1° |
| C1 | C6 | C5 | 120.1° | 119.4° |
| C6 | C1 | C2 | 121.7° | 119.5° |
| C6 | C1 | H3 | 119.2° | 120.3° |
| C6 | C5 | C7 | 119.0° | 119.3° |
| C6 | C5 | C4 | 119.6° | 119.7° |
| C1 | C2 | C11 | 118.9° | 119.7° |
| C1 | C2 | C3 | 118.1° | 120.5° |
| C2 | C1 | H3 | 119.1° | 120.2° |
| C2 | C11 | N1 | 119.1° | 120.0° |
| C11 | C2 | C3 | 123.0° | 119.7° |
| C11 | N1 | H9 | 120.0° | 120.0° |
| C11 | N1 | H10 | 120.0° | 120.0° |
| C7 | C5 | C4 | 121.4° | 121.0° |
| C5 | C7 | H7 | 120.1° | 120.1° |
| C5 | C4 | C3 | 119.1° | 120.0° |
| C5 | C4 | H1 | 120.5° | 120.0° |
| C2 | C3 | C4 | 121.3° | 120.8° |
| C2 | C3 | H2 | 119.3° | 119.6° |
| C3 | C4 | H1 | 120.4° | 120.0° |
| C4 | C3 | H2 | 119.4° | 119.6° |
| H9 | N1 | H10 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C9 | C8 | H6 | 180.0° | 179.9° |
| C9 | C10 | C6 | H5 | 180.0° | 180.0° |
| C10 | C9 | C8 | O1 | 179.4° | 179.9° |
| C10 | C9 | C8 | C7 | 2.0° | 0.0° |
| C9 | C10 | C6 | C1 | 179.4° | 180.0° |
| C9 | C10 | C6 | C5 | 0.4° | 0.2° |
| C8 | C9 | C10 | C6 | 1.3° | 0.0° |
| C9 | C8 | O1 | C7 | 178.6° | 180.0° |
| C9 | C8 | C7 | C5 | 1.0° | 0.2° |
| C9 | C8 | O1 | H4 | 180.0° | 90.0° |
| C8 | C9 | C10 | H5 | 178.7° | 180.0° |
| C9 | C8 | C7 | H7 | 179.0° | 180.0° |
| C10 | C6 | C1 | C5 | 178.9° | 179.7° |
| C10 | C6 | C1 | C2 | 179.6° | 179.9° |
| C10 | C6 | C5 | C7 | 1.4° | 0.5° |
| C10 | C6 | C5 | C4 | 179.5° | 179.8° |
| C10 | C6 | C1 | H3 | 0.5° | 0.0° |
| C6 | C10 | C9 | H6 | 178.7° | 179.9° |
| O1 | C8 | C7 | C5 | 179.6° | 179.8° |
| O1 | C8 | C9 | H6 | 0.6° | 0.1° |
| O1 | C8 | C7 | H7 | 0.4° | 0.0° |
| C8 | C7 | C5 | C6 | 0.6° | 0.5° |
| C8 | C7 | C5 | H7 | 180.0° | 179.8° |
| C8 | C7 | C5 | C4 | 179.8° | 179.7° |
| C7 | C8 | O1 | H4 | 1.4° | 90.0° |
| C7 | C8 | C9 | H6 | 178.0° | 179.9° |
| N2 | C11 | C2 | C1 | 7.2° | 0.0° |
| N2 | C11 | C2 | N1 | 174.0° | 180.0° |
| N2 | C11 | C2 | C3 | 173.7° | 180.0° |
| N2 | C11 | N1 | H9 | 173.9° | 179.9° |
| N2 | C11 | N1 | H10 | 6.0° | 0.0° |
| C6 | C1 | C2 | H3 | 180.0° | 180.0° |
| C6 | C1 | C2 | C11 | 178.5° | 180.0° |
| C1 | C6 | C5 | C7 | 179.7° | 179.8° |
| C1 | C6 | C5 | C4 | 0.6° | 0.5° |
| C6 | C1 | C2 | C3 | 0.6° | 0.1° |
| C1 | C6 | C10 | H5 | 0.6° | 0.0° |
| C5 | C6 | C1 | C2 | 0.6° | 0.2° |
| C6 | C5 | C7 | C4 | 179.1° | 179.2° |
| C6 | C5 | C4 | C3 | 0.6° | 0.5° |
| C6 | C5 | C4 | H1 | 179.5° | 179.7° |
| C5 | C6 | C1 | H3 | 179.4° | 179.7° |
| C5 | C6 | C10 | H5 | 179.6° | 179.7° |
| C6 | C5 | C7 | H7 | 179.3° | 179.7° |
| C1 | C2 | C11 | C3 | 179.1° | 179.9° |
| C1 | C2 | C11 | N1 | 166.8° | 180.0° |
| C1 | C2 | C3 | C4 | 0.5° | 0.0° |
| C1 | C2 | C3 | H2 | 179.4° | 180.0° |
| C11 | C2 | C3 | C4 | 178.5° | 180.0° |
| C11 | C2 | C3 | H2 | 1.5° | 0.0° |
| C11 | C2 | C1 | H3 | 1.5° | 0.1° |
| C2 | C11 | N2 | H8 | 173.9° | 180.0° |
| C2 | C11 | N1 | H9 | 0.0° | 0.0° |
| C2 | C11 | N1 | H10 | 180.0° | 180.0° |
| N1 | C11 | C2 | C3 | 12.3° | 0.0° |
| N1 | C11 | N2 | H8 | 0.0° | 0.0° |
| C11 | N1 | H9 | H10 | 180.0° | 180.0° |
| C7 | C5 | C4 | C3 | 179.7° | 179.8° |
| C7 | C5 | C4 | H1 | 0.4° | 0.5° |
| C5 | C4 | C3 | C2 | 0.5° | 0.2° |
| C5 | C4 | C3 | H1 | 180.0° | 179.8° |
| C5 | C4 | C3 | H2 | 179.4° | 179.7° |
| C4 | C5 | C7 | H7 | 0.2° | 0.5° |
| C2 | C3 | C4 | H2 | 180.0° | 180.0° |
| C2 | C3 | C4 | H1 | 179.5° | 180.0° |
| C3 | C2 | C1 | H3 | 179.4° | 180.0° |
| H1 | C4 | C3 | H2 | 0.6° | 0.0° |
| H5 | C10 | C9 | H6 | 1.3° | 0.1° |
