89Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C7 | sing | 1.53Å | 1.50Å | |
| C8 | C9 | sing | 1.53Å | 1.49Å | |
| C7 | C9 | sing | 1.53Å | 1.50Å | |
| C7 | C6 | sing | 1.53Å | 1.50Å | |
| O2 | C6 | sing | 1.43Å | 1.47Å | |
| O2 | C5 | sing | 1.36Å | 1.37Å | |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C10 | sing | 1.39Å | 1.38Å | Aromatic |
| C3 | C2 | doub | 1.40Å | 1.38Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.37Å | Aromatic |
| C2 | C11 | sing | 1.40Å | 1.38Å | Aromatic |
| C2 | C1 | sing | 1.48Å | 1.49Å | |
| O1 | C1 | doub | 1.22Å | 1.25Å | |
| C1 | N1 | sing | 1.35Å | 1.32Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| N1 | H11 | sing | 0.97Å | 1.00Å | |
| N1 | H12 | sing | 0.97Å | 1.00Å | |
| C3 | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C8 | C9 | 60.1° | 60.0° |
| C8 | C7 | C9 | 59.6° | 60.0° |
| C8 | C7 | C6 | 119.1° | 117.5° |
| C8 | C7 | H5 | 115.8° | 117.6° |
| C7 | C8 | H6 | 120.0° | 117.5° |
| C7 | C8 | H7 | 120.0° | 117.5° |
| C8 | C9 | C7 | 60.3° | 60.0° |
| C9 | C8 | H6 | 120.0° | 117.5° |
| C9 | C8 | H7 | 120.0° | 117.5° |
| C8 | C9 | H8 | 120.0° | 117.5° |
| C8 | C9 | H9 | 119.9° | 117.5° |
| C9 | C7 | C6 | 119.0° | 117.5° |
| C9 | C7 | H5 | 115.9° | 117.5° |
| C7 | C9 | H8 | 120.0° | 117.5° |
| C7 | C9 | H9 | 120.0° | 117.5° |
| C7 | C6 | O2 | 107.9° | 109.4° |
| C7 | C6 | H2 | 109.9° | 109.5° |
| C7 | C6 | H3 | 109.9° | 109.5° |
| C6 | C7 | H5 | 115.8° | 115.6° |
| C6 | O2 | C5 | 119.9° | 117.0° |
| O2 | C6 | H2 | 109.8° | 109.5° |
| O2 | C6 | H3 | 109.9° | 109.5° |
| O2 | C5 | C4 | 119.6° | 119.9° |
| O2 | C5 | C10 | 120.5° | 119.9° |
| C5 | C4 | C3 | 119.8° | 120.1° |
| C4 | C5 | C10 | 119.9° | 120.2° |
| C5 | C4 | H1 | 120.1° | 120.0° |
| C4 | C3 | C2 | 120.4° | 120.0° |
| C3 | C4 | H1 | 120.1° | 120.0° |
| C4 | C3 | H13 | 119.8° | 120.0° |
| C5 | C10 | C11 | 119.6° | 120.1° |
| C5 | C10 | H10 | 120.2° | 119.9° |
| C3 | C2 | C11 | 118.6° | 119.8° |
| C3 | C2 | C1 | 123.1° | 120.1° |
| C2 | C3 | H13 | 119.8° | 120.0° |
| C10 | C11 | C2 | 121.5° | 120.0° |
| C10 | C11 | H4 | 119.2° | 120.0° |
| C11 | C10 | H10 | 120.2° | 120.0° |
| C11 | C2 | C1 | 118.0° | 120.1° |
| C2 | C11 | H4 | 119.2° | 120.0° |
| C2 | C1 | O1 | 120.4° | 120.0° |
| C2 | C1 | N1 | 116.5° | 120.0° |
| O1 | C1 | N1 | 123.0° | 120.0° |
| C1 | N1 | H11 | 120.0° | 120.0° |
| C1 | N1 | H12 | 120.0° | 120.1° |
| H2 | C6 | H3 | 109.5° | 109.5° |
| H6 | C8 | H7 | 109.4° | 115.5° |
| H8 | C9 | H9 | 109.5° | 115.6° |
| H11 | N1 | H12 | 120.0° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C8 | C9 | H6 | 109.5° | 107.5° |
| C7 | C8 | C9 | H7 | 109.5° | 107.5° |
| C8 | C7 | C9 | C6 | 108.6° | 107.5° |
| C8 | C7 | C9 | H5 | 106.1° | 107.6° |
| C8 | C7 | C6 | H5 | 145.4° | 145.8° |
| C8 | C7 | C6 | O2 | 111.0° | 116.4° |
| C8 | C7 | C6 | H2 | 8.7° | 3.6° |
| C8 | C7 | C6 | H3 | 129.2° | 123.6° |
| C7 | C8 | H6 | H7 | 144.7° | 145.6° |
| C7 | C8 | C9 | H8 | 109.6° | 107.5° |
| C7 | C8 | C9 | H9 | 109.6° | 107.5° |
| C9 | C8 | H6 | H7 | 144.6° | 145.7° |
| C8 | C9 | H8 | H9 | 144.6° | 145.7° |
| C9 | C7 | C6 | H5 | 145.3° | 145.6° |
| C9 | C7 | C6 | O2 | 179.8° | 175.0° |
| C9 | C7 | C6 | H2 | 60.5° | 65.0° |
| C9 | C7 | C6 | H3 | 60.0° | 55.0° |
| C7 | C9 | H8 | H9 | 144.6° | 145.7° |
| C7 | C6 | O2 | H2 | 119.8° | 120.0° |
| C7 | C6 | O2 | H3 | 119.8° | 120.0° |
| C7 | C6 | O2 | C5 | 177.9° | 180.0° |
| C7 | C6 | H2 | H3 | 120.7° | 120.0° |
| C6 | C7 | C8 | H6 | 1.1° | 0.1° |
| C6 | C7 | C8 | H7 | 142.1° | 145.0° |
| C6 | C7 | C9 | H8 | 0.9° | 145.0° |
| C6 | C7 | C9 | H9 | 141.8° | 0.0° |
| C6 | O2 | C5 | C4 | 167.9° | 180.0° |
| C6 | O2 | C5 | C10 | 14.6° | 0.0° |
| O2 | C6 | H2 | H3 | 120.7° | 120.0° |
| O2 | C6 | C7 | H5 | 34.4° | 29.3° |
| O2 | C5 | C4 | C10 | 177.5° | 180.0° |
| O2 | C5 | C4 | C3 | 178.0° | 180.0° |
| O2 | C5 | C10 | C11 | 179.9° | 180.0° |
| O2 | C5 | C4 | H1 | 1.9° | 0.3° |
| C5 | O2 | C6 | H2 | 58.2° | 60.0° |
| C5 | O2 | C6 | H3 | 62.3° | 60.1° |
| O2 | C5 | C10 | H10 | 0.1° | 0.0° |
| C5 | C4 | C3 | H1 | 180.0° | 179.8° |
| C5 | C4 | C3 | C2 | 3.0° | 0.0° |
| C4 | C5 | C10 | C11 | 2.5° | 0.0° |
| C4 | C5 | C10 | H10 | 177.5° | 180.0° |
| C5 | C4 | C3 | H13 | 176.9° | 180.0° |
| C3 | C4 | C5 | C10 | 0.6° | 0.0° |
| C4 | C3 | C2 | H13 | 180.0° | 180.0° |
| C4 | C3 | C2 | C11 | 4.6° | 0.0° |
| C4 | C3 | C2 | C1 | 179.7° | 180.0° |
| C5 | C10 | C11 | H10 | 180.0° | 179.9° |
| C5 | C10 | C11 | C2 | 0.8° | 0.1° |
| C10 | C5 | C4 | H1 | 179.4° | 179.7° |
| C5 | C10 | C11 | H4 | 179.2° | 180.0° |
| C3 | C2 | C11 | C10 | 2.7° | 0.0° |
| C3 | C2 | C11 | C1 | 175.3° | 180.0° |
| C3 | C2 | C1 | O1 | 36.9° | 0.1° |
| C3 | C2 | C1 | N1 | 147.3° | 180.0° |
| C2 | C3 | C4 | H1 | 177.0° | 179.7° |
| C3 | C2 | C11 | H4 | 177.3° | 180.0° |
| C10 | C11 | C2 | H4 | 180.0° | 179.9° |
| C10 | C11 | C2 | C1 | 178.0° | 180.0° |
| C11 | C2 | C1 | O1 | 148.0° | 180.0° |
| C11 | C2 | C1 | N1 | 27.8° | 0.0° |
| C2 | C11 | C10 | H10 | 179.2° | 180.0° |
| C11 | C2 | C3 | H13 | 175.4° | 179.9° |
| C2 | C1 | O1 | N1 | 175.6° | 179.9° |
| C1 | C2 | C11 | H4 | 1.9° | 0.1° |
| C2 | C1 | N1 | H11 | 175.7° | 179.9° |
| C2 | C1 | N1 | H12 | 4.2° | 0.1° |
| C1 | C2 | C3 | H13 | 0.3° | 0.0° |
| O1 | C1 | N1 | H11 | 0.0° | 0.0° |
| O1 | C1 | N1 | H12 | 180.0° | 180.0° |
| C1 | N1 | H11 | H12 | 180.0° | 180.0° |
| H1 | C4 | C3 | H13 | 3.0° | 0.2° |
| H2 | C6 | C7 | H5 | 154.2° | 149.4° |
| H3 | C6 | C7 | H5 | 85.3° | 90.6° |
| H4 | C11 | C10 | H10 | 0.8° | 0.1° |
| H5 | C7 | C8 | H6 | 144.4° | 145.0° |
| H5 | C7 | C8 | H7 | 3.4° | 0.1° |
| H5 | C7 | C9 | H8 | 144.4° | 0.1° |
| H5 | C7 | C9 | H9 | 3.5° | 145.0° |
| H6 | C8 | C9 | H8 | 0.0° | 145.0° |
| H6 | C8 | C9 | H9 | 140.9° | 0.0° |
| H7 | C8 | C9 | H8 | 140.9° | 0.0° |
| H7 | C8 | C9 | H9 | 0.0° | 145.0° |
