C9E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | N1 | sing | 1.32Å | 1.34Å | Aromatic |
| C6 | C8 | sing | 1.40Å | 1.42Å | Aromatic |
| O2 | C4 | doub | 1.22Å | 1.23Å | |
| N1 | C1 | doub | 1.32Å | 1.34Å | Aromatic |
| C8 | C4 | sing | 1.48Å | 1.52Å | |
| C8 | C9 | doub | 1.41Å | 1.40Å | Aromatic |
| C4 | O1 | sing | 1.35Å | 1.39Å | |
| C1 | C9 | sing | 1.41Å | 1.43Å | Aromatic |
| C1 | N2 | sing | 1.38Å | 1.36Å | Aromatic |
| C9 | C7 | sing | 1.46Å | 1.44Å | Aromatic |
| O1 | C3 | sing | 1.45Å | 1.43Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| N2 | C10 | sing | 1.37Å | 1.37Å | Aromatic |
| C7 | C10 | doub | 1.35Å | 1.40Å | Aromatic |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| N2 | H8 | sing | 0.97Å | 1.00Å | |
| C5 | H9 | sing | 1.08Å | 1.08Å | |
| C6 | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C5 | N1 | 123.1° | 121.8° |
| C5 | C6 | C8 | 122.8° | 119.2° |
| C6 | C5 | H9 | 118.5° | 119.1° |
| C5 | C6 | H10 | 118.6° | 120.4° |
| C5 | N1 | C1 | 114.2° | 122.1° |
| N1 | C5 | H9 | 118.5° | 119.1° |
| C6 | C8 | C4 | 124.1° | 121.2° |
| C6 | C8 | C9 | 115.2° | 117.7° |
| C8 | C6 | H10 | 118.6° | 120.4° |
| O2 | C4 | C8 | 114.8° | 120.0° |
| O2 | C4 | O1 | 113.4° | 120.0° |
| N1 | C1 | C9 | 127.8° | 119.9° |
| N1 | C1 | N2 | 124.7° | 133.2° |
| C4 | C8 | C9 | 120.6° | 121.1° |
| C8 | C4 | O1 | 123.2° | 120.0° |
| C8 | C9 | C1 | 116.9° | 119.3° |
| C8 | C9 | C7 | 137.2° | 134.4° |
| C4 | O1 | C3 | 124.1° | 117.0° |
| C9 | C1 | N2 | 107.5° | 106.9° |
| C1 | C9 | C7 | 105.9° | 106.3° |
| C1 | N2 | C10 | 111.2° | 110.0° |
| C1 | N2 | H8 | 124.4° | 125.0° |
| C9 | C7 | C10 | 107.7° | 106.8° |
| C9 | C7 | H6 | 126.1° | 126.6° |
| O1 | C3 | C2 | 110.5° | 109.5° |
| O1 | C3 | H4 | 109.2° | 109.4° |
| O1 | C3 | H5 | 109.2° | 109.5° |
| C3 | C2 | H1 | 109.5° | 109.5° |
| C3 | C2 | H2 | 109.5° | 109.5° |
| C3 | C2 | H3 | 109.5° | 109.5° |
| C2 | C3 | H4 | 109.2° | 109.5° |
| C2 | C3 | H5 | 109.2° | 109.5° |
| N2 | C10 | C7 | 107.7° | 109.9° |
| N2 | C10 | H7 | 126.1° | 125.1° |
| C10 | N2 | H8 | 124.4° | 125.0° |
| C10 | C7 | H6 | 126.2° | 126.6° |
| C7 | C10 | H7 | 126.2° | 125.0° |
| H1 | C2 | H2 | 109.4° | 109.5° |
| H1 | C2 | H3 | 109.5° | 109.5° |
| H2 | C2 | H3 | 109.5° | 109.4° |
| H4 | C3 | H5 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C5 | N1 | H9 | 180.0° | 179.8° |
| C5 | C6 | C8 | H10 | 180.0° | 179.7° |
| C6 | C5 | N1 | C1 | 1.9° | 0.0° |
| C5 | C6 | C8 | C4 | 178.2° | 180.0° |
| C5 | C6 | C8 | C9 | 1.9° | 0.4° |
| N1 | C5 | C6 | C8 | 1.7° | 0.2° |
| C5 | N1 | C1 | C9 | 2.6° | 0.0° |
| C5 | N1 | C1 | N2 | 179.4° | 179.7° |
| N1 | C5 | C6 | H10 | 178.3° | 180.0° |
| C6 | C8 | C4 | O2 | 3.0° | 179.5° |
| C6 | C8 | C4 | C9 | 179.9° | 179.7° |
| C6 | C8 | C4 | O1 | 142.7° | 0.3° |
| C6 | C8 | C9 | C1 | 2.3° | 0.3° |
| C6 | C8 | C9 | C7 | 178.4° | 179.5° |
| C8 | C6 | C5 | H9 | 178.3° | 180.0° |
| O2 | C4 | C8 | O1 | 145.7° | 179.9° |
| O2 | C4 | C8 | C9 | 176.9° | 0.1° |
| O2 | C4 | O1 | C3 | 38.9° | 0.1° |
| N1 | C1 | C9 | C8 | 3.0° | 0.1° |
| N1 | C1 | C9 | N2 | 178.2° | 179.8° |
| N1 | C1 | C9 | C7 | 179.8° | 179.7° |
| N1 | C1 | N2 | C10 | 179.4° | 179.7° |
| N1 | C1 | N2 | H8 | 0.5° | 0.3° |
| C1 | N1 | C5 | H9 | 178.2° | 179.8° |
| C4 | C8 | C9 | C1 | 177.8° | 180.0° |
| C4 | C8 | C9 | C7 | 1.7° | 0.2° |
| C8 | C4 | O1 | C3 | 175.0° | 180.0° |
| C4 | C8 | C6 | H10 | 1.8° | 0.2° |
| C9 | C8 | C4 | O1 | 37.4° | 180.0° |
| C8 | C9 | C1 | C7 | 177.2° | 179.9° |
| C8 | C9 | C1 | N2 | 178.8° | 179.9° |
| C8 | C9 | C7 | C10 | 177.8° | 179.9° |
| C8 | C9 | C7 | H6 | 2.2° | 0.1° |
| C9 | C8 | C6 | H10 | 178.1° | 179.9° |
| C4 | O1 | C3 | C2 | 144.1° | 180.0° |
| C4 | O1 | C3 | H4 | 95.7° | 60.1° |
| C4 | O1 | C3 | H5 | 23.9° | 59.9° |
| C9 | C1 | N2 | C10 | 1.1° | 0.0° |
| C1 | C9 | C7 | C10 | 1.4° | 0.1° |
| C1 | C9 | C7 | H6 | 178.6° | 180.0° |
| C9 | C1 | N2 | H8 | 178.8° | 179.9° |
| N2 | C1 | C9 | C7 | 1.5° | 0.1° |
| C1 | N2 | C10 | H8 | 180.0° | 180.0° |
| C1 | N2 | C10 | C7 | 0.3° | 0.0° |
| C1 | N2 | C10 | H7 | 179.7° | 180.0° |
| C9 | C7 | C10 | N2 | 0.7° | 0.0° |
| C9 | C7 | C10 | H6 | 180.0° | 180.0° |
| C9 | C7 | C10 | H7 | 179.3° | 180.0° |
| O1 | C3 | C2 | H4 | 120.2° | 119.9° |
| O1 | C3 | C2 | H5 | 120.2° | 120.1° |
| O1 | C3 | C2 | H1 | 180.0° | 60.0° |
| O1 | C3 | C2 | H2 | 60.0° | 60.1° |
| O1 | C3 | C2 | H3 | 60.0° | 180.0° |
| O1 | C3 | H4 | H5 | 119.5° | 120.0° |
| C3 | C2 | H1 | H2 | 120.0° | 120.0° |
| C3 | C2 | H1 | H3 | 120.0° | 120.0° |
| C3 | C2 | H2 | H3 | 120.0° | 120.0° |
| C2 | C3 | H4 | H5 | 119.5° | 120.0° |
| N2 | C10 | C7 | H7 | 180.0° | 180.0° |
| N2 | C10 | C7 | H6 | 179.3° | 180.0° |
| C7 | C10 | N2 | H8 | 179.7° | 180.0° |
| H1 | C2 | H2 | H3 | 120.0° | 120.0° |
| H1 | C2 | C3 | H4 | 59.8° | 59.9° |
| H1 | C2 | C3 | H5 | 59.8° | 179.9° |
| H2 | C2 | C3 | H4 | 179.8° | 180.0° |
| H2 | C2 | C3 | H5 | 60.2° | 60.0° |
| H3 | C2 | C3 | H4 | 60.1° | 60.1° |
| H3 | C2 | C3 | H5 | 179.8° | 59.9° |
| H6 | C7 | C10 | H7 | 0.7° | 0.0° |
| H7 | C10 | N2 | H8 | 0.3° | 0.0° |
| H9 | C5 | C6 | H10 | 1.7° | 0.3° |
