A1EE6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C9 | sing | 1.35Å | 1.36Å | |
| C9 | C8 | doub | 1.38Å | 1.36Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 1.36Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.51Å | 1.51Å | |
| C5 | N1 | sing | 1.47Å | 1.46Å | |
| N1 | C4 | sing | 1.35Å | 1.33Å | |
| C4 | C3 | sing | 1.51Å | 1.51Å | |
| C4 | O2 | doub | 1.21Å | 1.23Å | |
| C3 | C2 | sing | 1.53Å | 1.51Å | |
| O1 | C1 | sing | 1.43Å | 1.41Å | |
| C2 | C1 | sing | 1.53Å | 1.51Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H13 | sing | 1.09Å | 1.10Å | |
| O1 | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C9 | C8 | 118.5° | 120.0° |
| F1 | C9 | C10 | 118.4° | 120.0° |
| C8 | C9 | C10 | 123.1° | 120.0° |
| C9 | C8 | C7 | 118.1° | 120.0° |
| C9 | C8 | H5 | 121.0° | 120.0° |
| C9 | C10 | C11 | 118.1° | 119.9° |
| C9 | C10 | H6 | 120.9° | 120.0° |
| C8 | C7 | C6 | 121.0° | 120.0° |
| C8 | C7 | H4 | 119.5° | 120.0° |
| C7 | C8 | H5 | 121.0° | 120.0° |
| C10 | C11 | C6 | 121.0° | 120.0° |
| C11 | C10 | H6 | 121.0° | 120.0° |
| C10 | C11 | H9 | 119.5° | 120.0° |
| C7 | C6 | C11 | 118.7° | 120.1° |
| C7 | C6 | C5 | 120.3° | 120.0° |
| C6 | C7 | H4 | 119.5° | 120.0° |
| C11 | C6 | C5 | 121.0° | 119.9° |
| C6 | C11 | H9 | 119.5° | 120.0° |
| C6 | C5 | N1 | 112.1° | 109.5° |
| C6 | C5 | H2 | 108.8° | 109.4° |
| C6 | C5 | H3 | 108.8° | 109.5° |
| C5 | N1 | C4 | 122.0° | 120.0° |
| C5 | N1 | H1 | 119.0° | 120.0° |
| N1 | C5 | H2 | 108.8° | 109.5° |
| N1 | C5 | H3 | 108.8° | 109.4° |
| N1 | C4 | C3 | 116.6° | 120.0° |
| N1 | C4 | O2 | 122.3° | 120.0° |
| C4 | N1 | H1 | 119.0° | 120.1° |
| C3 | C4 | O2 | 121.2° | 120.0° |
| C4 | C3 | C2 | 111.9° | 109.4° |
| C4 | C3 | H12 | 108.9° | 109.4° |
| C4 | C3 | H13 | 108.9° | 109.5° |
| C3 | C2 | C1 | 113.9° | 109.5° |
| C3 | C2 | H10 | 108.3° | 109.5° |
| C3 | C2 | H11 | 108.3° | 109.5° |
| C2 | C3 | H12 | 108.9° | 109.5° |
| C2 | C3 | H13 | 108.9° | 109.5° |
| O1 | C1 | C2 | 112.7° | 109.5° |
| O1 | C1 | H7 | 108.6° | 109.5° |
| O1 | C1 | H8 | 108.6° | 109.5° |
| C1 | O1 | H14 | 109.5° | 114.0° |
| C2 | C1 | H7 | 108.7° | 109.5° |
| C2 | C1 | H8 | 108.6° | 109.4° |
| C1 | C2 | H10 | 108.4° | 109.5° |
| C1 | C2 | H11 | 108.3° | 109.4° |
| H2 | C5 | H3 | 109.5° | 109.5° |
| H7 | C1 | H8 | 109.5° | 109.4° |
| H10 | C2 | H11 | 109.5° | 109.5° |
| H12 | C3 | H13 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C9 | C8 | C10 | 179.9° | 179.7° |
| F1 | C9 | C8 | C7 | 179.7° | 180.0° |
| F1 | C9 | C10 | C11 | 179.8° | 180.0° |
| F1 | C9 | C8 | H5 | 0.3° | 0.0° |
| F1 | C9 | C10 | H6 | 0.1° | 0.0° |
| C9 | C8 | C7 | H5 | 180.0° | 179.9° |
| C8 | C9 | C10 | C11 | 0.1° | 0.3° |
| C9 | C8 | C7 | C6 | 0.0° | 0.0° |
| C9 | C8 | C7 | H4 | 180.0° | 180.0° |
| C8 | C9 | C10 | H6 | 180.0° | 179.7° |
| C10 | C9 | C8 | C7 | 0.1° | 0.3° |
| C9 | C10 | C11 | H6 | 180.0° | 180.0° |
| C9 | C10 | C11 | C6 | 0.2° | 0.1° |
| C10 | C9 | C8 | H5 | 179.8° | 179.7° |
| C9 | C10 | C11 | H9 | 179.8° | 180.0° |
| C8 | C7 | C6 | H4 | 180.0° | 180.0° |
| C8 | C7 | C6 | C11 | 0.2° | 0.2° |
| C8 | C7 | C6 | C5 | 179.8° | 180.0° |
| C10 | C11 | C6 | C7 | 0.3° | 0.2° |
| C10 | C11 | C6 | H9 | 180.0° | 179.9° |
| C10 | C11 | C6 | C5 | 179.9° | 180.0° |
| C7 | C6 | C11 | C5 | 179.6° | 179.8° |
| C7 | C6 | C5 | N1 | 17.3° | 90.0° |
| C7 | C6 | C5 | H2 | 137.7° | 30.0° |
| C7 | C6 | C5 | H3 | 103.1° | 150.0° |
| C6 | C7 | C8 | H5 | 180.0° | 180.0° |
| C7 | C6 | C11 | H9 | 179.7° | 179.7° |
| C11 | C6 | C5 | N1 | 163.1° | 90.2° |
| C11 | C6 | C5 | H2 | 42.7° | 149.8° |
| C11 | C6 | C5 | H3 | 76.5° | 29.8° |
| C11 | C6 | C7 | H4 | 179.8° | 179.7° |
| C6 | C11 | C10 | H6 | 179.8° | 179.9° |
| C6 | C5 | N1 | H2 | 120.4° | 120.0° |
| C6 | C5 | N1 | H3 | 120.4° | 120.0° |
| C6 | C5 | N1 | C4 | 107.2° | 179.9° |
| C6 | C5 | N1 | H1 | 72.8° | 0.2° |
| C6 | C5 | H2 | H3 | 118.8° | 120.0° |
| C5 | C6 | C7 | H4 | 0.2° | 0.0° |
| C5 | C6 | C11 | H9 | 0.1° | 0.1° |
| C5 | N1 | C4 | H1 | 180.0° | 179.8° |
| C5 | N1 | C4 | C3 | 179.2° | 179.7° |
| C5 | N1 | C4 | O2 | 1.7° | 0.2° |
| N1 | C5 | H2 | H3 | 118.8° | 120.0° |
| N1 | C4 | C3 | O2 | 179.1° | 179.9° |
| N1 | C4 | C3 | C2 | 165.6° | 180.0° |
| C4 | N1 | C5 | H2 | 132.4° | 60.0° |
| C4 | N1 | C5 | H3 | 13.2° | 60.0° |
| N1 | C4 | C3 | H12 | 45.2° | 60.0° |
| N1 | C4 | C3 | H13 | 74.0° | 60.0° |
| C4 | C3 | C2 | H12 | 120.4° | 120.0° |
| C4 | C3 | C2 | H13 | 120.4° | 120.0° |
| C4 | C3 | C2 | C1 | 152.6° | 180.0° |
| C3 | C4 | N1 | H1 | 0.8° | 0.1° |
| C4 | C3 | C2 | H10 | 31.9° | 60.0° |
| C4 | C3 | C2 | H11 | 86.8° | 60.0° |
| C4 | C3 | H12 | H13 | 118.9° | 120.0° |
| O2 | C4 | C3 | C2 | 13.5° | 0.0° |
| O2 | C4 | N1 | H1 | 178.3° | 180.0° |
| O2 | C4 | C3 | H12 | 133.9° | 120.0° |
| O2 | C4 | C3 | H13 | 106.9° | 120.0° |
| C3 | C2 | C1 | O1 | 61.2° | 180.0° |
| C3 | C2 | C1 | H10 | 120.7° | 120.0° |
| C3 | C2 | C1 | H11 | 120.7° | 120.0° |
| C3 | C2 | C1 | H7 | 178.3° | 60.0° |
| C3 | C2 | C1 | H8 | 59.2° | 59.9° |
| C3 | C2 | H10 | H11 | 118.0° | 120.0° |
| C2 | C3 | H12 | H13 | 118.9° | 120.0° |
| O1 | C1 | C2 | H7 | 120.5° | 120.0° |
| O1 | C1 | C2 | H8 | 120.5° | 120.1° |
| O1 | C1 | H7 | H8 | 118.5° | 120.1° |
| O1 | C1 | C2 | H10 | 178.1° | 60.0° |
| O1 | C1 | C2 | H11 | 59.4° | 60.0° |
| C2 | C1 | H7 | H8 | 118.5° | 119.9° |
| C1 | C2 | H10 | H11 | 118.0° | 119.9° |
| C1 | C2 | C3 | H12 | 87.1° | 60.0° |
| C1 | C2 | C3 | H13 | 32.2° | 60.0° |
| C2 | C1 | O1 | H14 | 180.0° | 180.0° |
| H1 | N1 | C5 | H2 | 47.6° | 120.2° |
| H1 | N1 | C5 | H3 | 166.8° | 119.8° |
| H4 | C7 | C8 | H5 | 0.0° | 0.0° |
| H6 | C10 | C11 | H9 | 0.2° | 0.0° |
| H7 | C1 | C2 | H10 | 57.6° | 60.1° |
| H7 | C1 | C2 | H11 | 61.1° | 180.0° |
| H7 | C1 | O1 | H14 | 59.5° | 60.0° |
| H8 | C1 | C2 | H10 | 61.4° | 180.0° |
| H8 | C1 | C2 | H11 | 179.9° | 60.1° |
| H8 | C1 | O1 | H14 | 59.5° | 60.0° |
| H10 | C2 | C3 | H12 | 152.3° | 60.0° |
| H10 | C2 | C3 | H13 | 88.5° | 180.0° |
| H11 | C2 | C3 | H12 | 33.6° | 180.0° |
| H11 | C2 | C3 | H13 | 152.8° | 59.9° |
