Q8C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.51Å | 1.51Å | |
| C10 | N4 | sing | 1.47Å | 1.45Å | |
| N4 | C9 | sing | 1.38Å | 1.35Å | |
| N1 | C5 | doub | 1.30Å | 1.31Å | Aromatic |
| N1 | C6 | sing | 1.35Å | 1.39Å | Aromatic |
| C5 | N | sing | 1.36Å | 1.37Å | Aromatic |
| C9 | C6 | doub | 1.41Å | 1.42Å | Aromatic |
| C9 | N3 | sing | 1.33Å | 1.34Å | Aromatic |
| C6 | C7 | sing | 1.41Å | 1.39Å | Aromatic |
| N3 | C8 | doub | 1.32Å | 1.34Å | Aromatic |
| O1 | C1 | sing | 1.43Å | 1.42Å | |
| N | C7 | sing | 1.37Å | 1.37Å | Aromatic |
| N | C4 | sing | 1.47Å | 1.46Å | |
| C7 | N2 | doub | 1.33Å | 1.34Å | Aromatic |
| C1 | C4 | sing | 1.54Å | 1.52Å | |
| C1 | C | sing | 1.54Å | 1.54Å | |
| C8 | N2 | sing | 1.32Å | 1.34Å | Aromatic |
| O2 | C3 | sing | 1.43Å | 1.42Å | |
| C4 | O3 | sing | 1.44Å | 1.41Å | |
| C | O | sing | 1.43Å | 1.42Å | |
| C | C2 | sing | 1.54Å | 1.53Å | |
| O3 | C2 | sing | 1.44Å | 1.44Å | |
| C3 | C2 | sing | 1.53Å | 1.51Å | |
| C8 | H1 | sing | 1.08Å | 1.08Å | |
| O1 | H2 | sing | 0.97Å | 0.95Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| N4 | H9 | sing | 0.97Å | 1.00Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| O | H11 | sing | 0.97Å | 0.95Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.08Å | 1.08Å | |
| C13 | H15 | sing | 1.08Å | 1.08Å | |
| C14 | H16 | sing | 1.08Å | 1.08Å | |
| C15 | H17 | sing | 1.08Å | 1.08Å | |
| C16 | H18 | sing | 1.08Å | 1.08Å | |
| O2 | H19 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C14 | C15 | 119.6° | 120.0° |
| C14 | C13 | C12 | 120.3° | 120.0° |
| C14 | C13 | H15 | 119.9° | 119.9° |
| C13 | C14 | H16 | 120.2° | 120.0° |
| C14 | C15 | C16 | 120.3° | 120.0° |
| C15 | C14 | H16 | 120.2° | 120.0° |
| C14 | C15 | H17 | 119.9° | 120.0° |
| C13 | C12 | C11 | 120.6° | 120.0° |
| C13 | C12 | H14 | 119.7° | 120.0° |
| C12 | C13 | H15 | 119.9° | 120.0° |
| C15 | C16 | C11 | 120.7° | 120.0° |
| C16 | C15 | H17 | 119.9° | 120.0° |
| C15 | C16 | H18 | 119.6° | 120.0° |
| C12 | C11 | C16 | 118.5° | 120.0° |
| C12 | C11 | C10 | 120.8° | 120.0° |
| C11 | C12 | H14 | 119.7° | 119.9° |
| C16 | C11 | C10 | 120.7° | 120.0° |
| C11 | C16 | H18 | 119.7° | 120.0° |
| C11 | C10 | N4 | 113.3° | 109.5° |
| C11 | C10 | H12 | 108.5° | 109.5° |
| C11 | C10 | H13 | 108.5° | 109.5° |
| C10 | N4 | C9 | 124.2° | 120.0° |
| C10 | N4 | H9 | 105.7° | 120.0° |
| N4 | C10 | H12 | 108.5° | 109.4° |
| N4 | C10 | H13 | 108.5° | 109.4° |
| N4 | C9 | C6 | 123.9° | 120.7° |
| N4 | C9 | N3 | 117.7° | 120.8° |
| C9 | N4 | H9 | 105.7° | 120.0° |
| C5 | N1 | C6 | 103.8° | 109.5° |
| N1 | C5 | N | 114.0° | 109.9° |
| N1 | C5 | H4 | 123.0° | 125.0° |
| N1 | C6 | C9 | 133.1° | 134.7° |
| N1 | C6 | C7 | 110.7° | 107.1° |
| C5 | N | C7 | 105.7° | 107.5° |
| C5 | N | C4 | 127.2° | 126.3° |
| N | C5 | H4 | 123.0° | 125.1° |
| C6 | C9 | N3 | 118.3° | 118.5° |
| C9 | C6 | C7 | 116.2° | 118.1° |
| C9 | N3 | C8 | 118.4° | 121.2° |
| C6 | C7 | N | 105.8° | 106.0° |
| C6 | C7 | N2 | 126.7° | 119.1° |
| N3 | C8 | N2 | 128.9° | 122.5° |
| N3 | C8 | H1 | 115.5° | 118.8° |
| O1 | C1 | C4 | 110.4° | 110.5° |
| O1 | C1 | C | 111.8° | 110.5° |
| C1 | O1 | H2 | 109.5° | 114.0° |
| O1 | C1 | H3 | 111.9° | 110.4° |
| C7 | N | C4 | 127.1° | 126.3° |
| N | C7 | N2 | 127.5° | 134.9° |
| N | C4 | C1 | 114.5° | 110.4° |
| N | C4 | O3 | 108.4° | 110.3° |
| N | C4 | H5 | 109.5° | 110.4° |
| C7 | N2 | C8 | 111.4° | 120.6° |
| C4 | C1 | C | 101.8° | 104.1° |
| C1 | C4 | O3 | 105.3° | 104.8° |
| C4 | C1 | H3 | 110.3° | 110.5° |
| C1 | C4 | H5 | 108.7° | 110.4° |
| C1 | C | O | 112.3° | 110.5° |
| C1 | C | C2 | 103.9° | 104.1° |
| C | C1 | H3 | 110.2° | 110.6° |
| C1 | C | H10 | 109.2° | 110.5° |
| N2 | C8 | H1 | 115.6° | 118.8° |
| O2 | C3 | C2 | 111.6° | 109.4° |
| O2 | C3 | H6 | 108.9° | 109.5° |
| O2 | C3 | H7 | 109.0° | 109.5° |
| C3 | O2 | H19 | 109.5° | 113.9° |
| C4 | O3 | C2 | 108.5° | 105.3° |
| O3 | C4 | H5 | 110.3° | 110.4° |
| O | C | C2 | 111.1° | 110.5° |
| O | C | H10 | 110.8° | 110.4° |
| C | O | H11 | 109.5° | 114.0° |
| C | C2 | O3 | 106.9° | 104.8° |
| C | C2 | C3 | 115.3° | 110.4° |
| C | C2 | H8 | 107.8° | 110.4° |
| C2 | C | H10 | 109.2° | 110.7° |
| O3 | C2 | C3 | 109.7° | 110.4° |
| O3 | C2 | H8 | 108.9° | 110.4° |
| C2 | C3 | H6 | 108.9° | 109.4° |
| C2 | C3 | H7 | 108.9° | 109.5° |
| C3 | C2 | H8 | 108.1° | 110.4° |
| H6 | C3 | H7 | 109.5° | 109.5° |
| H12 | C10 | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C14 | C15 | H16 | 180.0° | 180.0° |
| C14 | C13 | C12 | H15 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 0.0° | 0.2° |
| C14 | C13 | C12 | C11 | 0.0° | 0.0° |
| C14 | C13 | C12 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | H17 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 0.1° | 0.0° |
| C14 | C15 | C16 | H17 | 180.0° | 179.8° |
| C14 | C15 | C16 | C11 | 0.0° | 0.6° |
| C15 | C14 | C13 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | H18 | 180.0° | 180.0° |
| C13 | C12 | C11 | H14 | 180.0° | 180.0° |
| C13 | C12 | C11 | C16 | 0.1° | 0.3° |
| C13 | C12 | C11 | C10 | 179.8° | 180.0° |
| C12 | C13 | C14 | H16 | 180.0° | 180.0° |
| C15 | C16 | C11 | C12 | 0.1° | 0.6° |
| C15 | C16 | C11 | H18 | 180.0° | 179.5° |
| C15 | C16 | C11 | C10 | 179.8° | 179.7° |
| C16 | C15 | C14 | H16 | 180.0° | 179.7° |
| C12 | C11 | C16 | C10 | 179.9° | 179.7° |
| C12 | C11 | C10 | N4 | 176.2° | 90.0° |
| C12 | C11 | C10 | H12 | 63.3° | 30.0° |
| C12 | C11 | C10 | H13 | 55.6° | 150.0° |
| C11 | C12 | C13 | H15 | 180.0° | 180.0° |
| C12 | C11 | C16 | H18 | 179.9° | 180.0° |
| C16 | C11 | C10 | N4 | 3.9° | 90.3° |
| C16 | C11 | C10 | H12 | 116.6° | 149.7° |
| C16 | C11 | C10 | H13 | 124.5° | 29.7° |
| C16 | C11 | C12 | H14 | 180.0° | 179.7° |
| C11 | C16 | C15 | H17 | 180.0° | 179.7° |
| C11 | C10 | N4 | H12 | 120.6° | 120.0° |
| C11 | C10 | N4 | H13 | 120.6° | 120.0° |
| C11 | C10 | N4 | C9 | 97.8° | 180.0° |
| C11 | C10 | N4 | H9 | 140.2° | 0.0° |
| C11 | C10 | H12 | H13 | 118.3° | 120.1° |
| C10 | C11 | C12 | H14 | 0.1° | 0.0° |
| C10 | C11 | C16 | H18 | 0.2° | 0.3° |
| C10 | N4 | C9 | H9 | 122.0° | 180.0° |
| C10 | N4 | C9 | C6 | 0.8° | 180.0° |
| C10 | N4 | C9 | N3 | 176.8° | 0.0° |
| N4 | C10 | H12 | H13 | 118.2° | 119.9° |
| N4 | C9 | C6 | N1 | 3.4° | 0.0° |
| N4 | C9 | C6 | N3 | 177.6° | 179.9° |
| N4 | C9 | C6 | C7 | 176.6° | 180.0° |
| N4 | C9 | N3 | C8 | 177.1° | 180.0° |
| C9 | N4 | C10 | H12 | 22.8° | 60.0° |
| C9 | N4 | C10 | H13 | 141.6° | 60.0° |
| N1 | C5 | N | H4 | 180.0° | 180.0° |
| C5 | N1 | C6 | C9 | 179.7° | 180.0° |
| C5 | N1 | C6 | C7 | 0.3° | 0.0° |
| N1 | C5 | N | C7 | 0.6° | 0.1° |
| N1 | C5 | N | C4 | 177.4° | 180.0° |
| C6 | N1 | C5 | N | 0.2° | 0.0° |
| N1 | C6 | C9 | C7 | 180.0° | 180.0° |
| N1 | C6 | C9 | N3 | 179.0° | 180.0° |
| N1 | C6 | C7 | N | 0.6° | 0.1° |
| N1 | C6 | C7 | N2 | 179.3° | 180.0° |
| C6 | N1 | C5 | H4 | 179.8° | 180.0° |
| C5 | N | C7 | C6 | 0.7° | 0.1° |
| C5 | N | C7 | C4 | 178.0° | 179.9° |
| C5 | N | C7 | N2 | 179.2° | 180.0° |
| C5 | N | C4 | C1 | 43.6° | 94.9° |
| C5 | N | C4 | O3 | 73.6° | 20.4° |
| C5 | N | C4 | H5 | 165.9° | 142.7° |
| C6 | C9 | N3 | C8 | 0.7° | 0.1° |
| C9 | C6 | C7 | N | 179.4° | 180.0° |
| C9 | C6 | C7 | N2 | 0.7° | 0.0° |
| C6 | C9 | N4 | H9 | 122.8° | 0.0° |
| N3 | C9 | C6 | C7 | 1.0° | 0.1° |
| C9 | N3 | C8 | N2 | 0.1° | 0.1° |
| C9 | N3 | C8 | H1 | 179.9° | 179.9° |
| N3 | C9 | N4 | H9 | 54.8° | 180.0° |
| C6 | C7 | N | N2 | 179.9° | 179.9° |
| C6 | C7 | N | C4 | 177.3° | 180.0° |
| C6 | C7 | N2 | C8 | 0.0° | 0.0° |
| N3 | C8 | N2 | C7 | 0.4° | 0.0° |
| N3 | C8 | N2 | H1 | 180.0° | 180.0° |
| O1 | C1 | C4 | N | 85.1° | 98.6° |
| O1 | C1 | C4 | C | 118.8° | 118.6° |
| O1 | C1 | C4 | H3 | 124.2° | 122.5° |
| O1 | C1 | C | H3 | 125.1° | 122.6° |
| O1 | C1 | C4 | O3 | 155.9° | 142.7° |
| O1 | C1 | C | O | 23.7° | 0.0° |
| O1 | C1 | C | C2 | 143.9° | 118.7° |
| O1 | C1 | C4 | H5 | 37.7° | 23.8° |
| O1 | C1 | C | H10 | 99.7° | 122.5° |
| C7 | N | C4 | C1 | 138.9° | 85.0° |
| N | C7 | N2 | C8 | 179.9° | 179.9° |
| C7 | N | C4 | O3 | 103.9° | 159.7° |
| C7 | N | C5 | H4 | 179.4° | 180.0° |
| C7 | N | C4 | H5 | 16.5° | 37.4° |
| C4 | N | C7 | N2 | 2.8° | 0.1° |
| N | C4 | C1 | O3 | 119.0° | 118.8° |
| N | C4 | C1 | H5 | 122.8° | 122.3° |
| N | C4 | C1 | C | 156.0° | 142.8° |
| N | C4 | O3 | H5 | 120.0° | 122.3° |
| N | C4 | O3 | C2 | 157.0° | 159.4° |
| N | C4 | C1 | H3 | 39.1° | 24.0° |
| C4 | N | C5 | H4 | 2.6° | 0.0° |
| C7 | N2 | C8 | H1 | 179.6° | 180.0° |
| C4 | C1 | C | H3 | 117.1° | 118.8° |
| C1 | C4 | O3 | H5 | 117.1° | 118.9° |
| C4 | C1 | C | O | 94.2° | 118.6° |
| C4 | C1 | C | C2 | 26.0° | 0.1° |
| C1 | C4 | O3 | C2 | 34.0° | 40.6° |
| C4 | C1 | O1 | H2 | 180.0° | 180.0° |
| C4 | C1 | C | H10 | 142.5° | 118.8° |
| C | C1 | C4 | O3 | 37.0° | 24.1° |
| C1 | C | O | C2 | 115.9° | 114.7° |
| C1 | C | O | H10 | 122.4° | 122.5° |
| C1 | C | C2 | H10 | 116.4° | 118.7° |
| C1 | C | C2 | O3 | 7.3° | 23.9° |
| C1 | C | C2 | C3 | 114.9° | 142.8° |
| C | C1 | O1 | H2 | 67.5° | 65.3° |
| C | C1 | C4 | H5 | 81.1° | 94.9° |
| C1 | C | C2 | H8 | 124.3° | 94.9° |
| C1 | C | O | H11 | 180.0° | 180.0° |
| O2 | C3 | C2 | C | 41.9° | 178.1° |
| O2 | C3 | C2 | O3 | 78.8° | 66.5° |
| O2 | C3 | C2 | H6 | 120.3° | 120.0° |
| O2 | C3 | C2 | H7 | 120.3° | 120.0° |
| O2 | C3 | H6 | H7 | 119.1° | 120.1° |
| O2 | C3 | C2 | H8 | 162.5° | 55.8° |
| C4 | O3 | C2 | C | 16.5° | 40.5° |
| C4 | O3 | C2 | C3 | 142.2° | 159.3° |
| O3 | C4 | C1 | H3 | 79.9° | 94.8° |
| C4 | O3 | C2 | H8 | 99.7° | 78.4° |
| O | C | C2 | H10 | 122.6° | 122.6° |
| O | C | C2 | O3 | 113.7° | 142.6° |
| O | C | C2 | C3 | 124.1° | 98.5° |
| O | C | C1 | H3 | 148.8° | 122.6° |
| O | C | C2 | H8 | 3.3° | 23.8° |
| C | C2 | O3 | C3 | 125.6° | 118.8° |
| C | C2 | O3 | H8 | 116.3° | 118.9° |
| C | C2 | C3 | H8 | 120.6° | 122.3° |
| C2 | C | C1 | H3 | 91.0° | 118.7° |
| C | C2 | C3 | H6 | 78.4° | 58.2° |
| C | C2 | C3 | H7 | 162.2° | 61.8° |
| C2 | C | O | H11 | 64.0° | 65.4° |
| O3 | C2 | C3 | H8 | 118.6° | 122.3° |
| C2 | O3 | C4 | H5 | 83.1° | 78.3° |
| O3 | C2 | C3 | H6 | 160.9° | 173.5° |
| O3 | C2 | C3 | H7 | 41.5° | 53.5° |
| O3 | C2 | C | H10 | 123.7° | 94.7° |
| C2 | C3 | H6 | H7 | 119.0° | 120.0° |
| C3 | C2 | C | H10 | 1.5° | 24.1° |
| C2 | C3 | O2 | H19 | 180.0° | 180.0° |
| H2 | O1 | C1 | H3 | 56.6° | 57.4° |
| H3 | C1 | C4 | H5 | 161.9° | 146.3° |
| H3 | C1 | C | H10 | 25.4° | 0.1° |
| H6 | C3 | C2 | H8 | 42.2° | 64.2° |
| H6 | C3 | O2 | H19 | 59.7° | 60.1° |
| H7 | C3 | C2 | H8 | 77.1° | 175.8° |
| H7 | C3 | O2 | H19 | 59.7° | 60.0° |
| H8 | C2 | C | H10 | 119.3° | 146.4° |
| H9 | N4 | C10 | H12 | 99.2° | 120.0° |
| H9 | N4 | C10 | H13 | 19.6° | 120.0° |
| H10 | C | O | H11 | 57.6° | 57.4° |
| H14 | C12 | C13 | H15 | 0.0° | 0.0° |
| H15 | C13 | C14 | H16 | 0.0° | 0.0° |
| H16 | C14 | C15 | H17 | 0.0° | 0.0° |
| H17 | C15 | C16 | H18 | 0.0° | 0.2° |
