8FZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C9 | doub | 1.32Å | 1.34Å | Aromatic |
| N1 | C10 | sing | 1.32Å | 1.33Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.36Å | Aromatic |
| C6 | O | sing | 1.36Å | 1.39Å | |
| O1 | C5 | sing | 1.34Å | 1.34Å | Aromatic |
| O1 | C2 | sing | 1.35Å | 1.38Å | Aromatic |
| O | C5 | sing | 1.36Å | 1.36Å | |
| C1 | N | sing | 1.47Å | 1.47Å | |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C5 | C4 | doub | 1.35Å | 1.37Å | Aromatic |
| C2 | C3 | doub | 1.34Å | 1.34Å | Aromatic |
| C4 | C3 | sing | 1.41Å | 1.42Å | Aromatic |
| C4 | H7 | sing | 1.08Å | 1.08Å | |
| C7 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H9 | sing | 1.08Å | 1.08Å | |
| C9 | H10 | sing | 1.08Å | 1.08Å | |
| C10 | H11 | sing | 1.08Å | 1.08Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| N | H3 | sing | 1.01Å | 1.00Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | N1 | C10 | 117.3° | 121.8° |
| N1 | C9 | C8 | 123.4° | 120.9° |
| N1 | C9 | H10 | 118.3° | 119.5° |
| N1 | C10 | C6 | 122.5° | 120.7° |
| N1 | C10 | H11 | 118.7° | 119.7° |
| C9 | C8 | C7 | 118.6° | 119.2° |
| C9 | C8 | H9 | 120.7° | 120.3° |
| C8 | C9 | H10 | 118.3° | 119.6° |
| C10 | C6 | C7 | 119.6° | 119.0° |
| C10 | C6 | O | 118.1° | 120.5° |
| C6 | C10 | H11 | 118.8° | 119.6° |
| C8 | C7 | C6 | 118.6° | 118.4° |
| C8 | C7 | H1 | 120.7° | 120.8° |
| C7 | C8 | H9 | 120.7° | 120.4° |
| C7 | C6 | O | 122.3° | 120.5° |
| C6 | C7 | H1 | 120.7° | 120.8° |
| C6 | O | C5 | 121.1° | 118.0° |
| C5 | O1 | C2 | 107.6° | 109.5° |
| O1 | C5 | O | 117.1° | 125.9° |
| O1 | C5 | C4 | 109.6° | 108.3° |
| O1 | C2 | C1 | 116.6° | 125.8° |
| O1 | C2 | C3 | 109.4° | 108.5° |
| O | C5 | C4 | 132.9° | 125.8° |
| N | C1 | C2 | 110.2° | 109.5° |
| C1 | N | H2 | 109.5° | 111.0° |
| C1 | N | H3 | 109.5° | 111.0° |
| N | C1 | H5 | 109.3° | 109.5° |
| N | C1 | H4 | 109.3° | 109.4° |
| C1 | C2 | C3 | 134.0° | 125.7° |
| C2 | C1 | H5 | 109.3° | 109.5° |
| C2 | C1 | H4 | 109.3° | 109.5° |
| C5 | C4 | C3 | 106.4° | 106.8° |
| C5 | C4 | H7 | 126.8° | 126.6° |
| C2 | C3 | C4 | 106.9° | 106.9° |
| C2 | C3 | H6 | 126.5° | 126.6° |
| C3 | C4 | H7 | 126.8° | 126.6° |
| C4 | C3 | H6 | 126.5° | 126.5° |
| H2 | N | H3 | 109.4° | 111.0° |
| H5 | C1 | H4 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C9 | C8 | H10 | 180.0° | 179.6° |
| C9 | N1 | C10 | C6 | 0.3° | 0.7° |
| N1 | C9 | C8 | C7 | 0.8° | 0.1° |
| N1 | C9 | C8 | H9 | 179.2° | 180.0° |
| C9 | N1 | C10 | H11 | 179.7° | 180.0° |
| C10 | N1 | C9 | C8 | 0.2° | 0.4° |
| N1 | C10 | C6 | H11 | 180.0° | 179.3° |
| N1 | C10 | C6 | C7 | 1.0° | 0.6° |
| N1 | C10 | C6 | O | 178.4° | 179.7° |
| C10 | N1 | C9 | H10 | 179.8° | 180.0° |
| C9 | C8 | C7 | H9 | 180.0° | 180.0° |
| C9 | C8 | C7 | C6 | 1.5° | 0.0° |
| C9 | C8 | C7 | H1 | 178.5° | 180.0° |
| C10 | C6 | C7 | C8 | 1.6° | 0.3° |
| C10 | C6 | C7 | O | 179.4° | 179.7° |
| C10 | C6 | O | C5 | 157.4° | 170.6° |
| C10 | C6 | C7 | H1 | 178.4° | 179.7° |
| C8 | C7 | C6 | H1 | 180.0° | 180.0° |
| C8 | C7 | C6 | O | 177.8° | 180.0° |
| C7 | C8 | C9 | H10 | 179.2° | 179.7° |
| C7 | C6 | O | C5 | 23.2° | 9.8° |
| C6 | C7 | C8 | H9 | 178.5° | 180.0° |
| C7 | C6 | C10 | H11 | 179.0° | 179.9° |
| C6 | O | C5 | O1 | 40.5° | 6.2° |
| C6 | O | C5 | C4 | 147.2° | 173.8° |
| O | C6 | C7 | H1 | 2.2° | 0.1° |
| O | C6 | C10 | H11 | 1.6° | 0.4° |
| O1 | C5 | O | C4 | 172.3° | 180.0° |
| C5 | O1 | C2 | C1 | 177.2° | 180.0° |
| C5 | O1 | C2 | C3 | 2.8° | 0.0° |
| O1 | C5 | C4 | C3 | 1.9° | 0.0° |
| O1 | C5 | C4 | H7 | 178.1° | 179.8° |
| C2 | O1 | C5 | O | 171.1° | 180.0° |
| O1 | C2 | C1 | N | 99.3° | 90.0° |
| O1 | C2 | C1 | C3 | 179.9° | 180.0° |
| C2 | O1 | C5 | C4 | 2.9° | 0.0° |
| O1 | C2 | C3 | C4 | 1.6° | 0.0° |
| O1 | C2 | C1 | H5 | 20.8° | 150.0° |
| O1 | C2 | C1 | H4 | 140.6° | 30.0° |
| O1 | C2 | C3 | H6 | 178.3° | 179.7° |
| O | C5 | C4 | C3 | 170.9° | 180.0° |
| O | C5 | C4 | H7 | 9.1° | 0.2° |
| N | C1 | C2 | H5 | 120.1° | 120.0° |
| N | C1 | C2 | H4 | 120.1° | 120.0° |
| N | C1 | C2 | C3 | 80.7° | 90.0° |
| C1 | N | H2 | H3 | 120.0° | 124.0° |
| N | C1 | H5 | H4 | 119.7° | 120.0° |
| C1 | C2 | C3 | C4 | 178.4° | 180.0° |
| C2 | C1 | N | H2 | 180.0° | 180.0° |
| C2 | C1 | N | H3 | 60.0° | 56.0° |
| C2 | C1 | H5 | H4 | 119.7° | 120.0° |
| C1 | C2 | C3 | H6 | 1.6° | 0.3° |
| C5 | C4 | C3 | C2 | 0.1° | 0.0° |
| C5 | C4 | C3 | H7 | 180.0° | 179.8° |
| C5 | C4 | C3 | H6 | 179.9° | 179.7° |
| C2 | C3 | C4 | H6 | 180.0° | 179.6° |
| C2 | C3 | C4 | H7 | 179.9° | 179.8° |
| C3 | C2 | C1 | H5 | 159.2° | 30.0° |
| C3 | C2 | C1 | H4 | 39.5° | 150.0° |
| H7 | C4 | C3 | H6 | 0.1° | 0.2° |
| H1 | C7 | C8 | H9 | 1.5° | 0.0° |
| H9 | C8 | C9 | H10 | 0.8° | 0.4° |
| H2 | N | C1 | H5 | 59.9° | 60.0° |
| H2 | N | C1 | H4 | 59.9° | 60.0° |
| H3 | N | C1 | H5 | 60.1° | 64.0° |
| H3 | N | C1 | H4 | 179.9° | 176.0° |
