QYZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.51Å | 1.48Å | |
| C9 | C10 | sing | 1.40Å | 1.41Å | Aromatic |
| C9 | N1 | sing | 1.39Å | 1.41Å | |
| C10 | C7 | sing | 1.48Å | 1.47Å | |
| O1 | C2 | sing | 1.34Å | 1.37Å | Aromatic |
| O1 | C5 | sing | 1.35Å | 1.37Å | Aromatic |
| N1 | C8 | sing | 1.34Å | 1.36Å | |
| C2 | C3 | doub | 1.35Å | 1.34Å | Aromatic |
| C7 | C8 | sing | 1.47Å | 1.50Å | |
| C7 | C6 | doub | 1.38Å | 1.36Å | |
| C8 | O2 | doub | 1.22Å | 1.23Å | |
| C5 | C6 | sing | 1.41Å | 1.40Å | |
| C5 | C4 | doub | 1.38Å | 1.37Å | Aromatic |
| C3 | C4 | sing | 1.40Å | 1.42Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C3 | H5 | sing | 1.08Å | 1.08Å | |
| C4 | H6 | sing | 1.08Å | 1.08Å | |
| C6 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C13 | H10 | sing | 1.08Å | 1.08Å | |
| C14 | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C13 | C14 | 121.4° | 120.6° |
| C13 | C12 | C11 | 120.3° | 120.1° |
| C13 | C12 | H9 | 119.9° | 119.9° |
| C12 | C13 | H10 | 119.3° | 119.7° |
| C13 | C14 | C9 | 117.6° | 120.1° |
| C14 | C13 | H10 | 119.3° | 119.7° |
| C13 | C14 | H11 | 121.2° | 119.9° |
| C12 | C11 | C10 | 119.5° | 119.8° |
| C12 | C11 | H8 | 120.3° | 120.1° |
| C11 | C12 | H9 | 119.8° | 120.0° |
| C14 | C9 | C10 | 122.6° | 119.1° |
| C14 | C9 | N1 | 128.1° | 131.8° |
| C9 | C14 | H11 | 121.2° | 120.0° |
| C11 | C10 | C9 | 118.6° | 120.3° |
| C11 | C10 | C7 | 134.9° | 133.3° |
| C10 | C11 | H8 | 120.2° | 120.1° |
| C1 | C2 | O1 | 115.4° | 125.5° |
| C1 | C2 | C3 | 134.1° | 125.4° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C10 | C9 | N1 | 109.4° | 109.1° |
| C9 | C10 | C7 | 106.5° | 106.4° |
| C9 | N1 | C8 | 111.2° | 111.4° |
| C9 | N1 | H4 | 124.4° | 124.2° |
| C10 | C7 | C8 | 106.0° | 105.1° |
| C10 | C7 | C6 | 135.5° | 127.4° |
| C2 | O1 | C5 | 106.8° | 109.4° |
| O1 | C2 | C3 | 110.6° | 109.1° |
| O1 | C5 | C6 | 116.0° | 126.1° |
| O1 | C5 | C4 | 109.0° | 107.7° |
| N1 | C8 | C7 | 106.9° | 108.0° |
| N1 | C8 | O2 | 126.1° | 126.0° |
| C8 | N1 | H4 | 124.4° | 124.3° |
| C2 | C3 | C4 | 106.7° | 107.2° |
| C2 | C3 | H5 | 126.6° | 126.4° |
| C8 | C7 | C6 | 118.5° | 127.5° |
| C7 | C8 | O2 | 127.0° | 126.0° |
| C7 | C6 | C5 | 131.1° | 120.0° |
| C7 | C6 | H7 | 114.4° | 120.0° |
| C6 | C5 | C4 | 135.0° | 126.1° |
| C5 | C6 | H7 | 114.4° | 120.0° |
| C5 | C4 | C3 | 106.9° | 106.5° |
| C5 | C4 | H6 | 126.6° | 126.8° |
| C4 | C3 | H5 | 126.7° | 126.4° |
| C3 | C4 | H6 | 126.5° | 126.7° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C13 | C14 | H10 | 180.0° | 179.7° |
| C13 | C12 | C11 | H9 | 180.0° | 179.9° |
| C12 | C13 | C14 | C9 | 0.6° | 0.5° |
| C13 | C12 | C11 | C10 | 0.1° | 0.0° |
| C13 | C12 | C11 | H8 | 179.9° | 180.0° |
| C12 | C13 | C14 | H11 | 179.4° | 180.0° |
| C14 | C13 | C12 | C11 | 0.2° | 0.3° |
| C13 | C14 | C9 | H11 | 180.0° | 179.5° |
| C13 | C14 | C9 | C10 | 1.0° | 0.5° |
| C13 | C14 | C9 | N1 | 179.0° | 179.8° |
| C14 | C13 | C12 | H9 | 179.8° | 179.8° |
| C12 | C11 | C10 | H8 | 180.0° | 180.0° |
| C12 | C11 | C10 | C9 | 0.4° | 0.0° |
| C12 | C11 | C10 | C7 | 177.9° | 179.7° |
| C11 | C12 | C13 | H10 | 179.8° | 180.0° |
| C14 | C9 | C10 | C11 | 0.9° | 0.2° |
| C14 | C9 | C10 | N1 | 180.0° | 179.8° |
| C14 | C9 | C10 | C7 | 179.0° | 180.0° |
| C14 | C9 | N1 | C8 | 179.7° | 179.8° |
| C14 | C9 | N1 | H4 | 0.3° | 0.0° |
| C9 | C14 | C13 | H10 | 179.3° | 179.8° |
| C11 | C10 | C9 | C7 | 178.2° | 179.7° |
| C11 | C10 | C9 | N1 | 179.1° | 180.0° |
| C11 | C10 | C7 | C8 | 179.5° | 179.9° |
| C11 | C10 | C7 | C6 | 1.6° | 0.3° |
| C10 | C11 | C12 | H9 | 179.9° | 180.0° |
| C1 | C2 | O1 | C3 | 179.4° | 180.0° |
| C1 | C2 | O1 | C5 | 179.8° | 180.0° |
| C1 | C2 | C3 | C4 | 179.9° | 180.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | C3 | H5 | 0.1° | 0.1° |
| C10 | C9 | N1 | C8 | 0.3° | 0.0° |
| C9 | C10 | C7 | C8 | 1.8° | 0.4° |
| C9 | C10 | C7 | C6 | 176.2° | 180.0° |
| C10 | C9 | N1 | H4 | 179.7° | 179.7° |
| C9 | C10 | C11 | H8 | 179.6° | 180.0° |
| C10 | C9 | C14 | H11 | 179.1° | 180.0° |
| N1 | C9 | C10 | C7 | 1.0° | 0.2° |
| C9 | N1 | C8 | H4 | 180.0° | 179.7° |
| C9 | N1 | C8 | C7 | 1.4° | 0.3° |
| C9 | N1 | C8 | O2 | 178.2° | 179.7° |
| N1 | C9 | C14 | H11 | 1.0° | 0.2° |
| C10 | C7 | C8 | N1 | 1.9° | 0.4° |
| C10 | C7 | C8 | C6 | 178.3° | 179.6° |
| C10 | C7 | C8 | O2 | 177.7° | 179.6° |
| C10 | C7 | C6 | C5 | 10.4° | 10.2° |
| C10 | C7 | C6 | H7 | 169.6° | 169.8° |
| C7 | C10 | C11 | H8 | 2.1° | 0.3° |
| C2 | O1 | C5 | C6 | 179.1° | 180.0° |
| C2 | O1 | C5 | C4 | 0.1° | 0.0° |
| O1 | C2 | C3 | C4 | 0.6° | 0.1° |
| O1 | C2 | C1 | H1 | 0.0° | 0.0° |
| O1 | C2 | C1 | H2 | 120.0° | 120.0° |
| O1 | C2 | C1 | H3 | 120.0° | 120.0° |
| O1 | C2 | C3 | H5 | 179.4° | 180.0° |
| C5 | O1 | C2 | C3 | 0.4° | 0.0° |
| O1 | C5 | C6 | C7 | 18.6° | 34.9° |
| O1 | C5 | C6 | C4 | 178.7° | 180.0° |
| O1 | C5 | C4 | C3 | 0.4° | 0.0° |
| O1 | C5 | C4 | H6 | 179.5° | 180.0° |
| O1 | C5 | C6 | H7 | 161.4° | 145.1° |
| N1 | C8 | C7 | O2 | 179.6° | 180.0° |
| N1 | C8 | C7 | C6 | 176.4° | 180.0° |
| C2 | C3 | C4 | C5 | 0.6° | 0.0° |
| C2 | C3 | C4 | H5 | 180.0° | 179.9° |
| C3 | C2 | C1 | H1 | 179.3° | 179.9° |
| C3 | C2 | C1 | H2 | 60.7° | 60.0° |
| C3 | C2 | C1 | H3 | 59.3° | 60.0° |
| C2 | C3 | C4 | H6 | 179.3° | 179.9° |
| C8 | C7 | C6 | C5 | 171.9° | 170.2° |
| C7 | C8 | N1 | H4 | 178.6° | 180.0° |
| C8 | C7 | C6 | H7 | 8.1° | 9.7° |
| C6 | C7 | C8 | O2 | 4.0° | 0.1° |
| C7 | C6 | C5 | H7 | 180.0° | 180.0° |
| C7 | C6 | C5 | C4 | 162.6° | 145.1° |
| O2 | C8 | N1 | H4 | 1.8° | 0.0° |
| C6 | C5 | C4 | C3 | 179.2° | 180.0° |
| C6 | C5 | C4 | H6 | 0.8° | 0.0° |
| C5 | C4 | C3 | H6 | 180.0° | 180.0° |
| C5 | C4 | C3 | H5 | 179.4° | 180.0° |
| C4 | C5 | C6 | H7 | 17.3° | 35.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H5 | C3 | C4 | H6 | 0.7° | 0.0° |
| H8 | C11 | C12 | H9 | 0.1° | 0.0° |
| H9 | C12 | C13 | H10 | 0.3° | 0.0° |
| H10 | C13 | C14 | H11 | 0.6° | 0.2° |
