QFN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | C29 | sing | 1.53Å | 1.54Å | |
| C28 | C27 | sing | 1.53Å | 1.54Å | |
| C29 | C27 | sing | 1.53Å | 1.55Å | |
| O9 | C6 | doub | 1.22Å | 1.23Å | |
| C27 | N2 | sing | 1.46Å | 1.46Å | |
| C25 | C13 | sing | 1.51Å | 1.51Å | |
| C6 | C5 | sing | 1.47Å | 1.47Å | |
| C6 | N7 | sing | 1.35Å | 1.38Å | |
| N2 | C5 | sing | 1.37Å | 1.31Å | Aromatic |
| N2 | N1 | sing | 1.28Å | 1.36Å | Aromatic |
| C13 | C15 | doub | 1.36Å | 1.34Å | |
| C13 | C12 | sing | 1.40Å | 1.48Å | |
| C15 | C10 | sing | 1.41Å | 1.48Å | |
| C5 | C4 | doub | 1.38Å | 1.32Å | Aromatic |
| C12 | O24 | doub | 1.22Å | 1.23Å | |
| C12 | N14 | sing | 1.35Å | 1.36Å | |
| C10 | N7 | sing | 1.40Å | 1.38Å | |
| C10 | C11 | doub | 1.36Å | 1.35Å | |
| N7 | C8 | sing | 1.47Å | 1.48Å | |
| N1 | C3 | doub | 1.31Å | 1.27Å | Aromatic |
| N14 | C11 | sing | 1.36Å | 1.37Å | |
| N14 | C23 | sing | 1.46Å | 1.47Å | |
| C4 | C8 | sing | 1.50Å | 1.50Å | |
| C4 | C3 | sing | 1.39Å | 1.46Å | Aromatic |
| C8 | C16 | sing | 1.51Å | 1.53Å | |
| C3 | C26 | sing | 1.51Å | 1.50Å | |
| C17 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | C20 | sing | 1.38Å | 1.40Å | Aromatic |
| C16 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| C20 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | CL | sing | 1.74Å | 1.75Å | |
| C11 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| C19 | H4 | sing | 1.08Å | 1.08Å | |
| C20 | H5 | sing | 1.08Å | 1.08Å | |
| C21 | H6 | sing | 1.08Å | 1.08Å | |
| C23 | H7 | sing | 1.09Å | 1.10Å | |
| C23 | H8 | sing | 1.09Å | 1.10Å | |
| C23 | H9 | sing | 1.09Å | 1.10Å | |
| C25 | H10 | sing | 1.09Å | 1.10Å | |
| C25 | H11 | sing | 1.09Å | 1.10Å | |
| C25 | H12 | sing | 1.09Å | 1.10Å | |
| C26 | H13 | sing | 1.09Å | 1.10Å | |
| C26 | H14 | sing | 1.09Å | 1.10Å | |
| C26 | H15 | sing | 1.09Å | 1.10Å | |
| C27 | H16 | sing | 1.09Å | 1.10Å | |
| C28 | H17 | sing | 1.09Å | 1.10Å | |
| C28 | H18 | sing | 1.09Å | 1.10Å | |
| C29 | H19 | sing | 1.09Å | 1.10Å | |
| C29 | H20 | sing | 1.09Å | 1.10Å | |
| C8 | H21 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C29 | C28 | C27 | 60.3° | 60.0° |
| C28 | C29 | C27 | 59.9° | 60.0° |
| C29 | C28 | H17 | 120.0° | 117.5° |
| C29 | C28 | H18 | 120.0° | 117.5° |
| C28 | C29 | H19 | 120.0° | 117.5° |
| C28 | C29 | H20 | 120.0° | 117.5° |
| C28 | C27 | C29 | 59.8° | 60.0° |
| C28 | C27 | N2 | 115.2° | 117.5° |
| C28 | C27 | H16 | 116.5° | 117.4° |
| C27 | C28 | H17 | 119.9° | 117.5° |
| C27 | C28 | H18 | 120.0° | 117.5° |
| C29 | C27 | N2 | 117.6° | 117.5° |
| C29 | C27 | H16 | 116.4° | 117.5° |
| C27 | C29 | H19 | 120.0° | 117.5° |
| C27 | C29 | H20 | 120.0° | 117.5° |
| O9 | C6 | C5 | 122.8° | 124.8° |
| O9 | C6 | N7 | 129.4° | 124.8° |
| C27 | N2 | C5 | 128.0° | 125.1° |
| C27 | N2 | N1 | 124.7° | 125.2° |
| N2 | C27 | H16 | 118.2° | 115.6° |
| C25 | C13 | C15 | 119.8° | 120.3° |
| C25 | C13 | C12 | 121.9° | 120.3° |
| C13 | C25 | H10 | 109.5° | 109.5° |
| C13 | C25 | H11 | 109.5° | 109.5° |
| C13 | C25 | H12 | 109.5° | 109.4° |
| C5 | C6 | N7 | 107.5° | 110.4° |
| C6 | C5 | N2 | 141.9° | 145.5° |
| C6 | C5 | C4 | 107.6° | 108.5° |
| C6 | N7 | C10 | 128.7° | 125.8° |
| C6 | N7 | C8 | 111.4° | 108.3° |
| C5 | N2 | N1 | 107.3° | 109.6° |
| N2 | C5 | C4 | 110.3° | 105.9° |
| N2 | N1 | C3 | 111.6° | 110.9° |
| C15 | C13 | C12 | 118.2° | 119.4° |
| C13 | C15 | C10 | 122.0° | 119.2° |
| C13 | C15 | H2 | 119.0° | 120.4° |
| C13 | C12 | O24 | 118.7° | 120.0° |
| C13 | C12 | N14 | 118.9° | 120.1° |
| C15 | C10 | N7 | 121.6° | 120.1° |
| C15 | C10 | C11 | 115.6° | 119.9° |
| C10 | C15 | H2 | 119.0° | 120.4° |
| C5 | C4 | C8 | 113.5° | 106.7° |
| C5 | C4 | C3 | 105.9° | 105.8° |
| O24 | C12 | N14 | 122.4° | 119.9° |
| C12 | N14 | C11 | 121.2° | 120.8° |
| C12 | N14 | C23 | 119.5° | 119.6° |
| N7 | C10 | C11 | 122.8° | 120.0° |
| C10 | N7 | C8 | 119.8° | 125.8° |
| C10 | C11 | N14 | 124.0° | 120.5° |
| C10 | C11 | H1 | 118.0° | 119.8° |
| N7 | C8 | C4 | 99.8° | 106.1° |
| N7 | C8 | C16 | 113.6° | 109.6° |
| N7 | C8 | H21 | 110.6° | 110.7° |
| N1 | C3 | C4 | 104.9° | 107.7° |
| N1 | C3 | C26 | 126.4° | 126.2° |
| C11 | N14 | C23 | 119.3° | 119.6° |
| N14 | C11 | H1 | 118.0° | 119.7° |
| N14 | C23 | H7 | 109.5° | 109.5° |
| N14 | C23 | H8 | 109.5° | 109.5° |
| N14 | C23 | H9 | 109.5° | 109.5° |
| C8 | C4 | C3 | 140.6° | 147.5° |
| C4 | C8 | C16 | 112.1° | 110.1° |
| C4 | C8 | H21 | 110.5° | 110.1° |
| C4 | C3 | C26 | 128.7° | 126.1° |
| C8 | C16 | C17 | 120.0° | 120.0° |
| C8 | C16 | C21 | 120.5° | 120.0° |
| C16 | C8 | H21 | 109.9° | 110.2° |
| C3 | C26 | H13 | 109.5° | 109.4° |
| C3 | C26 | H14 | 109.5° | 109.5° |
| C3 | C26 | H15 | 109.5° | 109.5° |
| C16 | C17 | C20 | 120.5° | 120.1° |
| C17 | C16 | C21 | 119.4° | 119.9° |
| C16 | C17 | H3 | 119.7° | 119.9° |
| C17 | C20 | C18 | 119.8° | 120.0° |
| C20 | C17 | H3 | 119.8° | 120.0° |
| C17 | C20 | H5 | 120.1° | 120.0° |
| C16 | C21 | C19 | 120.3° | 120.1° |
| C16 | C21 | H6 | 119.8° | 120.0° |
| C20 | C18 | C19 | 120.3° | 120.0° |
| C20 | C18 | CL | 119.3° | 120.0° |
| C18 | C20 | H5 | 120.1° | 120.0° |
| C21 | C19 | C18 | 119.7° | 119.9° |
| C21 | C19 | H4 | 120.1° | 120.1° |
| C19 | C21 | H6 | 119.9° | 119.9° |
| C19 | C18 | CL | 120.3° | 120.0° |
| C18 | C19 | H4 | 120.1° | 120.0° |
| H7 | C23 | H8 | 109.5° | 109.5° |
| H7 | C23 | H9 | 109.5° | 109.4° |
| H8 | C23 | H9 | 109.5° | 109.5° |
| H10 | C25 | H11 | 109.5° | 109.5° |
| H10 | C25 | H12 | 109.4° | 109.5° |
| H11 | C25 | H12 | 109.5° | 109.5° |
| H13 | C26 | H14 | 109.4° | 109.4° |
| H13 | C26 | H15 | 109.4° | 109.5° |
| H14 | C26 | H15 | 109.5° | 109.5° |
| H17 | C28 | H18 | 109.4° | 115.6° |
| H19 | C29 | H20 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C29 | C28 | C27 | H17 | 109.6° | 107.4° |
| C29 | C28 | C27 | H18 | 109.6° | 107.5° |
| C28 | C29 | C27 | H19 | 109.4° | 107.5° |
| C28 | C29 | C27 | H20 | 109.5° | 107.5° |
| C29 | C28 | C27 | N2 | 108.6° | 107.5° |
| C29 | C28 | C27 | H16 | 106.6° | 107.5° |
| C29 | C28 | H17 | H18 | 144.6° | 145.7° |
| C28 | C29 | H19 | H20 | 144.8° | 145.7° |
| C28 | C27 | N2 | H16 | 144.2° | 145.6° |
| C28 | C27 | N2 | C5 | 65.4° | 120.1° |
| C28 | C27 | N2 | N1 | 113.8° | 60.0° |
| C27 | C28 | H17 | H18 | 144.6° | 145.8° |
| C29 | C27 | N2 | H16 | 148.2° | 145.8° |
| C29 | C27 | N2 | C5 | 133.0° | 171.3° |
| C29 | C27 | N2 | N1 | 46.2° | 8.7° |
| C27 | C29 | H19 | H20 | 144.8° | 145.7° |
| O9 | C6 | C5 | N7 | 174.1° | 180.0° |
| O9 | C6 | C5 | N2 | 7.5° | 0.0° |
| O9 | C6 | C5 | C4 | 177.3° | 179.7° |
| O9 | C6 | N7 | C10 | 0.9° | 0.0° |
| O9 | C6 | N7 | C8 | 174.9° | 179.4° |
| C27 | N2 | C5 | C6 | 4.2° | 0.1° |
| C27 | N2 | C5 | N1 | 179.3° | 179.9° |
| C27 | N2 | C5 | C4 | 179.2° | 179.7° |
| C27 | N2 | N1 | C3 | 179.3° | 180.0° |
| N2 | C27 | C28 | H17 | 1.0° | 145.0° |
| N2 | C27 | C28 | H18 | 141.8° | 0.1° |
| N2 | C27 | C29 | H19 | 146.0° | 0.0° |
| N2 | C27 | C29 | H20 | 4.9° | 145.1° |
| C25 | C13 | C15 | C12 | 177.9° | 179.7° |
| C25 | C13 | C15 | C10 | 177.9° | 180.0° |
| C25 | C13 | C12 | O24 | 4.7° | 0.0° |
| C25 | C13 | C12 | N14 | 175.7° | 180.0° |
| C25 | C13 | C15 | H2 | 2.1° | 0.3° |
| C13 | C25 | H10 | H11 | 120.0° | 120.0° |
| C13 | C25 | H10 | H12 | 120.0° | 120.0° |
| C13 | C25 | H11 | H12 | 120.0° | 120.0° |
| C6 | C5 | N2 | C4 | 175.1° | 179.8° |
| C6 | C5 | N2 | N1 | 175.1° | 180.0° |
| C5 | C6 | N7 | C10 | 174.5° | 180.0° |
| C5 | C6 | N7 | C8 | 1.3° | 0.6° |
| C6 | C5 | C4 | C8 | 4.0° | 0.2° |
| C6 | C5 | C4 | C3 | 176.9° | 179.8° |
| N7 | C6 | C5 | N2 | 178.4° | 180.0° |
| C6 | N7 | C10 | C15 | 42.5° | 0.0° |
| N7 | C6 | C5 | C4 | 3.3° | 0.3° |
| C6 | N7 | C10 | C8 | 175.5° | 179.3° |
| C6 | N7 | C10 | C11 | 134.5° | 180.0° |
| C6 | N7 | C8 | C4 | 0.9° | 0.7° |
| C6 | N7 | C8 | C16 | 120.4° | 119.5° |
| C6 | N7 | C8 | H21 | 115.5° | 118.8° |
| C5 | N2 | N1 | C3 | 0.1° | 0.0° |
| N2 | C5 | C4 | C8 | 179.2° | 179.7° |
| N2 | C5 | C4 | C3 | 0.1° | 0.4° |
| C5 | N2 | C27 | H16 | 78.8° | 25.5° |
| N1 | N2 | C5 | C4 | 0.1° | 0.2° |
| N2 | N1 | C3 | C4 | 0.0° | 0.3° |
| N2 | N1 | C3 | C26 | 178.0° | 180.0° |
| N1 | N2 | C27 | H16 | 102.0° | 154.4° |
| C13 | C15 | C10 | H2 | 180.0° | 179.7° |
| C15 | C13 | C12 | O24 | 177.5° | 179.7° |
| C15 | C13 | C12 | N14 | 2.2° | 0.3° |
| C13 | C15 | C10 | N7 | 179.6° | 180.0° |
| C13 | C15 | C10 | C11 | 2.4° | 0.0° |
| C15 | C13 | C25 | H10 | 180.0° | 90.0° |
| C15 | C13 | C25 | H11 | 60.0° | 150.0° |
| C15 | C13 | C25 | H12 | 60.0° | 30.0° |
| C12 | C13 | C15 | C10 | 0.0° | 0.3° |
| C13 | C12 | O24 | N14 | 179.6° | 180.0° |
| C13 | C12 | N14 | C11 | 1.9° | 0.0° |
| C13 | C12 | N14 | C23 | 179.8° | 180.0° |
| C12 | C13 | C15 | H2 | 180.0° | 180.0° |
| C12 | C13 | C25 | H10 | 2.2° | 89.7° |
| C12 | C13 | C25 | H11 | 122.2° | 30.3° |
| C12 | C13 | C25 | H12 | 117.8° | 150.3° |
| C15 | C10 | N7 | C11 | 177.0° | 180.0° |
| C15 | C10 | N7 | C8 | 142.1° | 179.3° |
| C15 | C10 | C11 | N14 | 2.8° | 0.2° |
| C15 | C10 | C11 | H1 | 177.2° | 180.0° |
| C5 | C4 | C8 | N7 | 3.1° | 0.5° |
| C5 | C4 | C3 | N1 | 0.0° | 0.4° |
| C5 | C4 | C8 | C3 | 178.6° | 179.9° |
| C5 | C4 | C8 | C16 | 123.7° | 119.0° |
| C5 | C4 | C3 | C26 | 177.9° | 179.9° |
| C5 | C4 | C8 | H21 | 113.4° | 119.3° |
| O24 | C12 | N14 | C11 | 177.8° | 180.0° |
| O24 | C12 | N14 | C23 | 0.6° | 0.0° |
| C12 | N14 | C11 | C10 | 0.8° | 0.2° |
| C12 | N14 | C11 | C23 | 178.4° | 180.0° |
| C12 | N14 | C11 | H1 | 179.2° | 180.0° |
| C12 | N14 | C23 | H7 | 180.0° | 0.0° |
| C12 | N14 | C23 | H8 | 60.0° | 120.0° |
| C12 | N14 | C23 | H9 | 60.0° | 120.0° |
| N7 | C10 | C11 | N14 | 180.0° | 179.8° |
| C10 | N7 | C8 | C4 | 177.1° | 179.9° |
| C10 | N7 | C8 | C16 | 63.4° | 61.1° |
| N7 | C10 | C11 | H1 | 0.0° | 0.0° |
| N7 | C10 | C15 | H2 | 0.4° | 0.2° |
| C10 | N7 | C8 | H21 | 60.7° | 60.6° |
| C11 | C10 | N7 | C8 | 40.9° | 0.7° |
| C10 | C11 | N14 | H1 | 180.0° | 179.8° |
| C10 | C11 | N14 | C23 | 177.6° | 179.7° |
| C11 | C10 | C15 | H2 | 177.6° | 179.8° |
| N7 | C8 | C4 | C16 | 120.6° | 118.5° |
| N7 | C8 | C4 | H21 | 116.5° | 119.8° |
| N7 | C8 | C4 | C3 | 178.3° | 179.4° |
| N7 | C8 | C16 | H21 | 124.5° | 122.1° |
| N7 | C8 | C16 | C17 | 61.0° | 36.0° |
| N7 | C8 | C16 | C21 | 115.9° | 143.7° |
| N1 | C3 | C4 | C8 | 178.7° | 179.7° |
| N1 | C3 | C4 | C26 | 177.9° | 179.7° |
| N1 | C3 | C26 | H13 | 0.0° | 90.1° |
| N1 | C3 | C26 | H14 | 120.0° | 150.0° |
| N1 | C3 | C26 | H15 | 120.0° | 30.0° |
| C11 | N14 | C23 | H7 | 1.6° | 180.0° |
| C11 | N14 | C23 | H8 | 118.4° | 60.0° |
| C11 | N14 | C23 | H9 | 121.6° | 60.1° |
| C23 | N14 | C11 | H1 | 2.4° | 0.0° |
| N14 | C23 | H7 | H8 | 120.0° | 120.0° |
| N14 | C23 | H7 | H9 | 120.0° | 120.0° |
| N14 | C23 | H8 | H9 | 120.0° | 120.0° |
| C4 | C8 | C16 | H21 | 123.2° | 121.6° |
| C8 | C4 | C3 | C26 | 0.8° | 0.0° |
| C4 | C8 | C16 | C17 | 51.2° | 80.3° |
| C4 | C8 | C16 | C21 | 131.8° | 100.0° |
| C3 | C4 | C8 | C16 | 57.7° | 60.9° |
| C4 | C3 | C26 | H13 | 177.5° | 90.3° |
| C4 | C3 | C26 | H14 | 62.5° | 29.7° |
| C4 | C3 | C26 | H15 | 57.5° | 149.7° |
| C3 | C4 | C8 | H21 | 65.3° | 60.8° |
| C8 | C16 | C17 | C21 | 177.0° | 179.7° |
| C8 | C16 | C17 | C20 | 177.3° | 179.7° |
| C8 | C16 | C21 | C19 | 177.2° | 179.7° |
| C8 | C16 | C17 | H3 | 2.7° | 0.3° |
| C8 | C16 | C21 | H6 | 2.8° | 0.3° |
| C3 | C26 | H13 | H14 | 120.0° | 120.0° |
| C3 | C26 | H13 | H15 | 120.0° | 120.0° |
| C3 | C26 | H14 | H15 | 120.0° | 120.0° |
| C16 | C17 | C20 | H3 | 180.0° | 180.0° |
| C16 | C17 | C20 | C18 | 1.0° | 0.0° |
| C17 | C16 | C21 | C19 | 0.2° | 0.0° |
| C16 | C17 | C20 | H5 | 179.0° | 179.9° |
| C17 | C16 | C21 | H6 | 179.8° | 180.0° |
| C17 | C16 | C8 | H21 | 174.4° | 158.1° |
| C20 | C17 | C16 | C21 | 0.3° | 0.1° |
| C17 | C20 | C18 | H5 | 180.0° | 180.0° |
| C17 | C20 | C18 | C19 | 1.7° | 0.0° |
| C17 | C20 | C18 | CL | 179.3° | 180.0° |
| C16 | C21 | C19 | H6 | 180.0° | 180.0° |
| C16 | C21 | C19 | C18 | 0.8° | 0.0° |
| C21 | C16 | C17 | H3 | 179.7° | 180.0° |
| C16 | C21 | C19 | H4 | 179.2° | 180.0° |
| C21 | C16 | C8 | H21 | 8.6° | 21.6° |
| C20 | C18 | C19 | C21 | 1.6° | 0.0° |
| C20 | C18 | C19 | CL | 177.6° | 180.0° |
| C18 | C20 | C17 | H3 | 179.0° | 180.0° |
| C20 | C18 | C19 | H4 | 178.4° | 180.0° |
| C21 | C19 | C18 | H4 | 180.0° | 180.0° |
| C21 | C19 | C18 | CL | 179.2° | 180.0° |
| C19 | C18 | C20 | H5 | 178.3° | 180.0° |
| C18 | C19 | C21 | H6 | 179.2° | 180.0° |
| CL | C18 | C19 | H4 | 0.8° | 0.0° |
| CL | C18 | C20 | H5 | 0.7° | 0.0° |
| H3 | C17 | C20 | H5 | 1.0° | 0.0° |
| H4 | C19 | C21 | H6 | 0.8° | 0.0° |
| H7 | C23 | H8 | H9 | 120.0° | 120.0° |
| H10 | C25 | H11 | H12 | 120.0° | 120.0° |
| H13 | C26 | H14 | H15 | 120.0° | 120.0° |
| H16 | C27 | C28 | H17 | 143.8° | 0.1° |
| H16 | C27 | C28 | H18 | 3.0° | 145.0° |
| H16 | C27 | C29 | H19 | 2.7° | 145.1° |
| H16 | C27 | C29 | H20 | 143.8° | 0.0° |
| H17 | C28 | C29 | H19 | 141.0° | 145.0° |
| H17 | C28 | C29 | H20 | 0.1° | 0.0° |
| H18 | C28 | C29 | H19 | 0.1° | 0.0° |
| H18 | C28 | C29 | H20 | 141.0° | 145.0° |
