BQ2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C11 | sing | 1.37Å | 1.39Å | Aromatic |
| C12 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C4 | sing | 1.37Å | 1.39Å | Aromatic |
| C6 | C8 | sing | 1.51Å | 1.53Å | |
| C4 | C3 | sing | 1.51Å | 1.53Å | |
| C8 | C5 | sing | 1.53Å | 1.54Å | |
| C3 | N1 | sing | 1.47Å | 1.50Å | |
| C5 | N1 | sing | 1.47Å | 1.50Å | |
| N1 | C2 | sing | 1.35Å | 1.34Å | |
| C2 | O7 | doub | 1.21Å | 1.24Å | |
| C2 | C9 | sing | 1.51Å | 1.53Å | |
| C9 | O10 | sing | 1.43Å | 1.43Å | |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| C12 | H6 | sing | 1.08Å | 1.08Å | |
| C14 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| O10 | H13 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C14 | C12 | 119.7° | 119.9° |
| C14 | C13 | C11 | 120.1° | 119.4° |
| C14 | C13 | H5 | 120.0° | 120.5° |
| C13 | C14 | H7 | 120.1° | 120.1° |
| C14 | C12 | C6 | 120.1° | 120.6° |
| C14 | C12 | H6 | 119.9° | 119.8° |
| C12 | C14 | H7 | 120.1° | 120.0° |
| C13 | C11 | C4 | 120.0° | 121.0° |
| C11 | C13 | H5 | 120.0° | 120.2° |
| C13 | C11 | H8 | 120.0° | 119.7° |
| C12 | C6 | C4 | 120.2° | 119.5° |
| C12 | C6 | C8 | 120.4° | 117.6° |
| C6 | C12 | H6 | 120.0° | 119.7° |
| C11 | C4 | C6 | 119.8° | 119.7° |
| C11 | C4 | C3 | 119.8° | 117.8° |
| C4 | C11 | H8 | 120.0° | 119.3° |
| C4 | C6 | C8 | 119.4° | 122.9° |
| C6 | C4 | C3 | 120.4° | 122.5° |
| C6 | C8 | C5 | 109.5° | 110.9° |
| C6 | C8 | H3 | 109.5° | 109.2° |
| C6 | C8 | H4 | 109.5° | 109.2° |
| C4 | C3 | N1 | 111.4° | 109.6° |
| C4 | C3 | H9 | 109.0° | 109.5° |
| C4 | C3 | H10 | 109.0° | 109.4° |
| C8 | C5 | N1 | 112.4° | 107.9° |
| C8 | C5 | H1 | 108.7° | 109.7° |
| C8 | C5 | H2 | 108.7° | 109.8° |
| C5 | C8 | H3 | 109.4° | 109.2° |
| C5 | C8 | H4 | 109.4° | 109.1° |
| C3 | N1 | C5 | 121.6° | 117.3° |
| C3 | N1 | C2 | 118.4° | 121.3° |
| N1 | C3 | H9 | 109.0° | 109.5° |
| N1 | C3 | H10 | 109.0° | 109.4° |
| C5 | N1 | C2 | 120.0° | 121.3° |
| N1 | C5 | H1 | 108.7° | 109.7° |
| N1 | C5 | H2 | 108.7° | 109.8° |
| N1 | C2 | O7 | 120.2° | 120.0° |
| N1 | C2 | C9 | 119.8° | 120.0° |
| O7 | C2 | C9 | 120.0° | 120.0° |
| C2 | C9 | O10 | 110.8° | 109.5° |
| C2 | C9 | H11 | 109.1° | 109.5° |
| C2 | C9 | H12 | 109.2° | 109.5° |
| O10 | C9 | H11 | 109.1° | 109.4° |
| O10 | C9 | H12 | 109.1° | 109.5° |
| C9 | O10 | H13 | 109.5° | 114.0° |
| H1 | C5 | H2 | 109.5° | 109.8° |
| H3 | C8 | H4 | 109.5° | 109.2° |
| H9 | C3 | H10 | 109.5° | 109.4° |
| H11 | C9 | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C14 | C12 | H7 | 180.0° | 179.9° |
| C14 | C13 | C11 | H5 | 180.0° | 179.8° |
| C13 | C14 | C12 | C6 | 0.2° | 0.0° |
| C14 | C13 | C11 | C4 | 0.0° | 0.1° |
| C13 | C14 | C12 | H6 | 179.8° | 180.0° |
| C14 | C13 | C11 | H8 | 179.9° | 179.9° |
| C12 | C14 | C13 | C11 | 0.1° | 0.1° |
| C14 | C12 | C6 | H6 | 180.0° | 180.0° |
| C14 | C12 | C6 | C4 | 0.5° | 0.4° |
| C14 | C12 | C6 | C8 | 179.5° | 179.2° |
| C12 | C14 | C13 | H5 | 179.9° | 179.7° |
| C13 | C11 | C4 | H8 | 180.0° | 179.8° |
| C13 | C11 | C4 | C6 | 0.2° | 0.5° |
| C13 | C11 | C4 | C3 | 179.7° | 179.6° |
| C11 | C13 | C14 | H7 | 179.9° | 179.8° |
| C12 | C6 | C4 | C11 | 0.5° | 0.6° |
| C12 | C6 | C4 | C8 | 179.0° | 179.6° |
| C12 | C6 | C4 | C3 | 180.0° | 179.4° |
| C12 | C6 | C8 | C5 | 137.8° | 160.5° |
| C12 | C6 | C8 | H3 | 17.8° | 40.1° |
| C12 | C6 | C8 | H4 | 102.3° | 79.2° |
| C6 | C12 | C14 | H7 | 179.8° | 179.9° |
| C11 | C4 | C6 | C3 | 179.5° | 179.9° |
| C11 | C4 | C6 | C8 | 179.5° | 179.0° |
| C11 | C4 | C3 | N1 | 147.5° | 168.9° |
| C4 | C11 | C13 | H5 | 179.9° | 180.0° |
| C11 | C4 | C3 | H9 | 92.2° | 48.7° |
| C11 | C4 | C3 | H10 | 27.2° | 71.2° |
| C4 | C6 | C8 | C5 | 41.3° | 19.9° |
| C6 | C4 | C3 | N1 | 33.0° | 11.1° |
| C4 | C6 | C8 | H3 | 161.3° | 140.3° |
| C4 | C6 | C8 | H4 | 78.7° | 100.4° |
| C4 | C6 | C12 | H6 | 179.5° | 179.6° |
| C6 | C4 | C11 | H8 | 179.8° | 179.7° |
| C6 | C4 | C3 | H9 | 87.3° | 131.2° |
| C6 | C4 | C3 | H10 | 153.3° | 108.9° |
| C8 | C6 | C4 | C3 | 1.0° | 1.0° |
| C6 | C8 | C5 | H3 | 120.0° | 120.4° |
| C6 | C8 | C5 | H4 | 120.0° | 120.3° |
| C6 | C8 | C5 | N1 | 49.5° | 47.4° |
| C6 | C8 | C5 | H1 | 70.9° | 72.2° |
| C6 | C8 | C5 | H2 | 170.0° | 167.1° |
| C6 | C8 | H3 | H4 | 120.0° | 119.3° |
| C8 | C6 | C12 | H6 | 0.5° | 0.8° |
| C4 | C3 | N1 | H9 | 120.3° | 120.1° |
| C4 | C3 | N1 | H10 | 120.3° | 120.0° |
| C4 | C3 | N1 | C5 | 21.7° | 44.0° |
| C4 | C3 | N1 | C2 | 157.9° | 135.6° |
| C3 | C4 | C11 | H8 | 0.3° | 0.2° |
| C4 | C3 | H9 | H10 | 119.1° | 119.9° |
| C8 | C5 | N1 | C3 | 19.1° | 64.0° |
| C8 | C5 | N1 | H1 | 120.5° | 119.5° |
| C8 | C5 | N1 | H2 | 120.4° | 119.7° |
| C8 | C5 | N1 | C2 | 161.3° | 115.7° |
| C8 | C5 | H1 | H2 | 118.7° | 120.8° |
| C5 | C8 | H3 | H4 | 119.9° | 119.3° |
| C3 | N1 | C5 | C2 | 179.6° | 179.7° |
| C3 | N1 | C2 | O7 | 1.5° | 179.7° |
| C3 | N1 | C2 | C9 | 178.3° | 0.3° |
| C3 | N1 | C5 | H1 | 101.4° | 55.5° |
| C3 | N1 | C5 | H2 | 139.5° | 176.3° |
| N1 | C3 | H9 | H10 | 119.2° | 119.9° |
| C5 | N1 | C2 | O7 | 178.9° | 0.0° |
| C5 | N1 | C2 | C9 | 1.3° | 180.0° |
| N1 | C5 | H1 | H2 | 118.6° | 120.8° |
| N1 | C5 | C8 | H3 | 169.6° | 167.8° |
| N1 | C5 | C8 | H4 | 70.5° | 73.0° |
| C5 | N1 | C3 | H9 | 98.6° | 164.2° |
| C5 | N1 | C3 | H10 | 142.0° | 75.9° |
| N1 | C2 | O7 | C9 | 179.8° | 180.0° |
| N1 | C2 | C9 | O10 | 158.9° | 180.0° |
| C2 | N1 | C5 | H1 | 78.2° | 124.8° |
| C2 | N1 | C5 | H2 | 40.9° | 4.0° |
| C2 | N1 | C3 | H9 | 81.8° | 15.5° |
| C2 | N1 | C3 | H10 | 37.6° | 104.4° |
| N1 | C2 | C9 | H11 | 38.7° | 60.0° |
| N1 | C2 | C9 | H12 | 80.9° | 60.0° |
| O7 | C2 | C9 | O10 | 20.9° | 0.0° |
| O7 | C2 | C9 | H11 | 141.1° | 120.0° |
| O7 | C2 | C9 | H12 | 99.3° | 120.0° |
| C2 | C9 | O10 | H11 | 120.2° | 120.0° |
| C2 | C9 | O10 | H12 | 120.2° | 120.0° |
| C2 | C9 | H11 | H12 | 119.4° | 120.0° |
| C2 | C9 | O10 | H13 | 9.2° | 180.0° |
| O10 | C9 | H11 | H12 | 119.4° | 120.0° |
| H1 | C5 | C8 | H3 | 49.1° | 48.2° |
| H1 | C5 | C8 | H4 | 169.1° | 167.5° |
| H2 | C5 | C8 | H3 | 70.0° | 72.6° |
| H2 | C5 | C8 | H4 | 50.0° | 46.7° |
| H5 | C13 | C14 | H7 | 0.1° | 0.4° |
| H5 | C13 | C11 | H8 | 0.1° | 0.2° |
| H6 | C12 | C14 | H7 | 0.2° | 0.1° |
| H11 | C9 | O10 | H13 | 129.4° | 60.0° |
| H12 | C9 | O10 | H13 | 111.0° | 60.0° |
