Q4O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F22 | C20 | sing | 1.40Å | 1.43Å | |
| F18 | C16 | sing | 1.35Å | 1.35Å | |
| C20 | F21 | sing | 1.40Å | 1.40Å | |
| C20 | O19 | sing | 1.43Å | 1.44Å | |
| O19 | C15 | sing | 1.36Å | 1.38Å | |
| C16 | C15 | doub | 1.39Å | 1.37Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.41Å | Aromatic |
| C17 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| O10 | C9 | doub | 1.22Å | 1.24Å | |
| C14 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| CL8 | C4 | sing | 1.74Å | 1.70Å | |
| C12 | C13 | sing | 1.39Å | 1.42Å | Aromatic |
| C12 | N11 | sing | 1.40Å | 1.43Å | |
| C9 | N11 | sing | 1.35Å | 1.36Å | |
| C9 | C3 | sing | 1.48Å | 1.49Å | |
| C4 | C3 | doub | 1.40Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.36Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.40Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.37Å | Aromatic |
| C2 | C1 | doub | 1.39Å | 1.41Å | Aromatic |
| C6 | C1 | sing | 1.40Å | 1.41Å | Aromatic |
| C6 | F7 | sing | 1.35Å | 1.34Å | |
| C1 | C23 | sing | 1.48Å | 1.51Å | |
| C23 | N24 | sing | 1.35Å | 1.36Å | |
| C23 | O25 | doub | 1.22Å | 1.22Å | |
| N24 | C26 | sing | 1.47Å | 1.47Å | |
| C26 | C27 | sing | 1.51Å | 1.50Å | |
| C27 | C28 | doub | 1.38Å | 1.38Å | Aromatic |
| C27 | C32 | sing | 1.39Å | 1.41Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| O33 | C32 | sing | 1.36Å | 1.36Å | |
| O33 | C34 | sing | 1.43Å | 1.44Å | |
| C32 | C31 | doub | 1.39Å | 1.40Å | Aromatic |
| C29 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C31 | C30 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C26 | H5 | sing | 1.09Å | 1.10Å | |
| C26 | H6 | sing | 1.09Å | 1.10Å | |
| C28 | H7 | sing | 1.08Å | 1.08Å | |
| C2 | H8 | sing | 1.08Å | 1.08Å | |
| N11 | H9 | sing | 0.97Å | 1.00Å | |
| C14 | H10 | sing | 1.08Å | 1.08Å | |
| N24 | H11 | sing | 0.97Å | 1.00Å | |
| C29 | H12 | sing | 1.08Å | 1.08Å | |
| C30 | H13 | sing | 1.08Å | 1.08Å | |
| C31 | H14 | sing | 1.08Å | 1.08Å | |
| C34 | H15 | sing | 1.09Å | 1.10Å | |
| C34 | H16 | sing | 1.09Å | 1.10Å | |
| C34 | H17 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F22 | C20 | F21 | 110.2° | 109.5° |
| F22 | C20 | O19 | 111.7° | 109.5° |
| F22 | C20 | H4 | 110.5° | 109.4° |
| F18 | C16 | C15 | 114.7° | 120.0° |
| F18 | C16 | C17 | 124.0° | 120.0° |
| F21 | C20 | O19 | 103.0° | 109.5° |
| F21 | C20 | H4 | 111.0° | 109.5° |
| C20 | O19 | C15 | 120.1° | 117.0° |
| O19 | C20 | H4 | 110.3° | 109.5° |
| O19 | C15 | C16 | 115.5° | 120.0° |
| O19 | C15 | C14 | 125.1° | 120.0° |
| C15 | C16 | C17 | 121.3° | 120.0° |
| C16 | C15 | C14 | 119.4° | 120.0° |
| C16 | C17 | C12 | 120.4° | 119.9° |
| C16 | C17 | H3 | 119.8° | 120.0° |
| C15 | C14 | C13 | 119.9° | 120.0° |
| C15 | C14 | H10 | 120.0° | 120.0° |
| C17 | C12 | C13 | 118.0° | 120.0° |
| C17 | C12 | N11 | 121.8° | 120.0° |
| C12 | C17 | H3 | 119.8° | 120.1° |
| O10 | C9 | N11 | 121.9° | 120.0° |
| O10 | C9 | C3 | 117.1° | 119.9° |
| C14 | C13 | C12 | 120.9° | 120.0° |
| C14 | C13 | H2 | 119.5° | 120.0° |
| C13 | C14 | H10 | 120.0° | 119.9° |
| CL8 | C4 | C3 | 117.3° | 119.9° |
| CL8 | C4 | C5 | 119.5° | 119.9° |
| C13 | C12 | N11 | 120.1° | 120.0° |
| C12 | C13 | H2 | 119.6° | 120.0° |
| C12 | N11 | C9 | 127.3° | 120.0° |
| C12 | N11 | H9 | 116.3° | 120.0° |
| N11 | C9 | C3 | 121.0° | 120.0° |
| C9 | N11 | H9 | 116.4° | 120.0° |
| C9 | C3 | C4 | 117.7° | 120.1° |
| C9 | C3 | C2 | 123.8° | 120.0° |
| C3 | C4 | C5 | 123.2° | 120.2° |
| C4 | C3 | C2 | 118.3° | 119.9° |
| C4 | C5 | C6 | 118.6° | 120.2° |
| C4 | C5 | H1 | 120.7° | 119.9° |
| C3 | C2 | C1 | 120.0° | 119.7° |
| C3 | C2 | H8 | 120.0° | 120.1° |
| C5 | C6 | C1 | 121.8° | 120.1° |
| C5 | C6 | F7 | 116.2° | 119.9° |
| C6 | C5 | H1 | 120.7° | 119.9° |
| C2 | C1 | C6 | 118.1° | 119.8° |
| C2 | C1 | C23 | 120.7° | 120.1° |
| C1 | C2 | H8 | 120.0° | 120.1° |
| C1 | C6 | F7 | 122.0° | 120.0° |
| C6 | C1 | C23 | 121.2° | 120.0° |
| C1 | C23 | N24 | 123.5° | 120.0° |
| C1 | C23 | O25 | 119.5° | 120.0° |
| N24 | C23 | O25 | 117.1° | 120.0° |
| C23 | N24 | C26 | 122.8° | 120.0° |
| C23 | N24 | H11 | 118.6° | 120.0° |
| N24 | C26 | C27 | 112.8° | 109.5° |
| N24 | C26 | H5 | 108.6° | 109.4° |
| N24 | C26 | H6 | 108.6° | 109.4° |
| C26 | N24 | H11 | 118.6° | 120.0° |
| C26 | C27 | C28 | 117.2° | 120.0° |
| C26 | C27 | C32 | 123.2° | 120.0° |
| C27 | C26 | H5 | 108.6° | 109.5° |
| C27 | C26 | H6 | 108.6° | 109.5° |
| C28 | C27 | C32 | 119.6° | 120.0° |
| C27 | C28 | C29 | 120.1° | 120.0° |
| C27 | C28 | H7 | 119.9° | 120.0° |
| C27 | C32 | O33 | 124.3° | 120.1° |
| C27 | C32 | C31 | 119.4° | 119.9° |
| C28 | C29 | C30 | 120.8° | 120.1° |
| C29 | C28 | H7 | 119.9° | 120.0° |
| C28 | C29 | H12 | 119.6° | 119.9° |
| C32 | O33 | C34 | 115.4° | 117.0° |
| O33 | C32 | C31 | 116.3° | 120.1° |
| O33 | C34 | H15 | 109.5° | 109.5° |
| O33 | C34 | H16 | 109.5° | 109.4° |
| O33 | C34 | H17 | 109.5° | 109.5° |
| C32 | C31 | C30 | 120.9° | 119.9° |
| C32 | C31 | H14 | 119.6° | 120.0° |
| C29 | C30 | C31 | 119.3° | 120.1° |
| C30 | C29 | H12 | 119.6° | 119.9° |
| C29 | C30 | H13 | 120.4° | 120.0° |
| C31 | C30 | H13 | 120.4° | 119.9° |
| C30 | C31 | H14 | 119.6° | 120.0° |
| H5 | C26 | H6 | 109.5° | 109.5° |
| H15 | C34 | H16 | 109.5° | 109.4° |
| H15 | C34 | H17 | 109.5° | 109.6° |
| H16 | C34 | H17 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F22 | C20 | F21 | O19 | 119.3° | 120.0° |
| F22 | C20 | F21 | H4 | 122.7° | 120.0° |
| F22 | C20 | O19 | H4 | 123.3° | 120.0° |
| F22 | C20 | O19 | C15 | 175.6° | 60.0° |
| F18 | C16 | C15 | O19 | 0.0° | 0.0° |
| F18 | C16 | C15 | C17 | 179.6° | 179.7° |
| F18 | C16 | C15 | C14 | 178.7° | 180.0° |
| F18 | C16 | C17 | C12 | 179.5° | 180.0° |
| F18 | C16 | C17 | H3 | 0.5° | 0.0° |
| F21 | C20 | O19 | H4 | 118.5° | 120.1° |
| F21 | C20 | O19 | C15 | 57.3° | 59.9° |
| C20 | O19 | C15 | C16 | 83.9° | 180.0° |
| C20 | O19 | C15 | C14 | 97.5° | 0.0° |
| O19 | C15 | C16 | C14 | 178.7° | 180.0° |
| O19 | C15 | C16 | C17 | 179.6° | 179.7° |
| O19 | C15 | C14 | C13 | 178.8° | 180.0° |
| C15 | O19 | C20 | H4 | 61.1° | 180.0° |
| O19 | C15 | C14 | H10 | 1.2° | 0.0° |
| C15 | C16 | C17 | C12 | 0.1° | 0.3° |
| C16 | C15 | C14 | C13 | 0.3° | 0.1° |
| C15 | C16 | C17 | H3 | 179.9° | 179.8° |
| C16 | C15 | C14 | H10 | 179.7° | 180.0° |
| C17 | C16 | C15 | C14 | 0.9° | 0.3° |
| C16 | C17 | C12 | H3 | 180.0° | 180.0° |
| C16 | C17 | C12 | C13 | 1.3° | 0.0° |
| C16 | C17 | C12 | N11 | 176.1° | 180.0° |
| C15 | C14 | C13 | H10 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 1.1° | 0.2° |
| C15 | C14 | C13 | H2 | 178.9° | 180.0° |
| C17 | C12 | C13 | C14 | 1.9° | 0.2° |
| C17 | C12 | C13 | N11 | 174.9° | 180.0° |
| C17 | C12 | N11 | C9 | 18.7° | 35.1° |
| C17 | C12 | C13 | H2 | 178.1° | 180.0° |
| C17 | C12 | N11 | H9 | 161.3° | 144.9° |
| O10 | C9 | N11 | C12 | 3.7° | 4.6° |
| O10 | C9 | N11 | C3 | 179.3° | 180.0° |
| O10 | C9 | C3 | C4 | 62.9° | 0.0° |
| O10 | C9 | C3 | C2 | 112.2° | 180.0° |
| O10 | C9 | N11 | H9 | 176.3° | 175.4° |
| C14 | C13 | C12 | H2 | 180.0° | 179.8° |
| C14 | C13 | C12 | N11 | 176.8° | 179.8° |
| CL8 | C4 | C3 | C9 | 3.9° | 0.3° |
| CL8 | C4 | C3 | C5 | 178.9° | 179.7° |
| CL8 | C4 | C3 | C2 | 179.3° | 179.7° |
| CL8 | C4 | C5 | C6 | 179.6° | 179.7° |
| CL8 | C4 | C5 | H1 | 0.4° | 0.2° |
| C13 | C12 | N11 | C9 | 166.6° | 144.9° |
| C13 | C12 | C17 | H3 | 178.8° | 180.0° |
| C13 | C12 | N11 | H9 | 13.4° | 35.1° |
| C12 | C13 | C14 | H10 | 178.9° | 179.8° |
| C12 | N11 | C9 | H9 | 180.0° | 180.0° |
| C12 | N11 | C9 | C3 | 175.6° | 175.4° |
| N11 | C12 | C13 | H2 | 3.2° | 0.0° |
| N11 | C12 | C17 | H3 | 3.9° | 0.0° |
| N11 | C9 | C3 | C4 | 117.7° | 180.0° |
| N11 | C9 | C3 | C2 | 67.2° | 0.0° |
| C9 | C3 | C4 | C2 | 175.4° | 180.0° |
| C9 | C3 | C4 | C5 | 177.1° | 180.0° |
| C9 | C3 | C2 | C1 | 177.1° | 179.9° |
| C9 | C3 | C2 | H8 | 2.9° | 0.0° |
| C3 | C9 | N11 | H9 | 4.4° | 4.7° |
| C3 | C4 | C5 | C6 | 0.7° | 0.0° |
| C4 | C3 | C2 | C1 | 2.0° | 0.0° |
| C3 | C4 | C5 | H1 | 179.3° | 180.0° |
| C4 | C3 | C2 | H8 | 178.0° | 180.0° |
| C5 | C4 | C3 | C2 | 1.7° | 0.0° |
| C4 | C5 | C6 | H1 | 180.0° | 180.0° |
| C4 | C5 | C6 | C1 | 0.0° | 0.0° |
| C4 | C5 | C6 | F7 | 178.0° | 180.0° |
| C3 | C2 | C1 | H8 | 180.0° | 179.9° |
| C3 | C2 | C1 | C6 | 1.4° | 0.1° |
| C3 | C2 | C1 | C23 | 178.5° | 180.0° |
| C5 | C6 | C1 | C2 | 0.3° | 0.1° |
| C5 | C6 | C1 | F7 | 177.9° | 179.9° |
| C5 | C6 | C1 | C23 | 179.6° | 180.0° |
| C2 | C1 | C6 | C23 | 179.9° | 179.9° |
| C2 | C1 | C6 | F7 | 178.2° | 180.0° |
| C2 | C1 | C23 | N24 | 137.0° | 0.0° |
| C2 | C1 | C23 | O25 | 43.0° | 180.0° |
| C6 | C1 | C23 | N24 | 43.1° | 180.0° |
| C6 | C1 | C23 | O25 | 136.9° | 0.1° |
| C1 | C6 | C5 | H1 | 180.0° | 180.0° |
| C6 | C1 | C2 | H8 | 178.7° | 180.0° |
| F7 | C6 | C1 | C23 | 1.7° | 0.1° |
| F7 | C6 | C5 | H1 | 2.1° | 0.1° |
| C1 | C23 | N24 | O25 | 180.0° | 180.0° |
| C1 | C23 | N24 | C26 | 178.5° | 180.0° |
| C23 | C1 | C2 | H8 | 1.4° | 0.0° |
| C1 | C23 | N24 | H11 | 1.5° | 0.0° |
| C23 | N24 | C26 | H11 | 180.0° | 180.0° |
| C23 | N24 | C26 | C27 | 102.1° | 180.0° |
| C23 | N24 | C26 | H5 | 18.4° | 60.0° |
| C23 | N24 | C26 | H6 | 137.4° | 60.0° |
| O25 | C23 | N24 | C26 | 1.5° | 0.0° |
| O25 | C23 | N24 | H11 | 178.5° | 180.0° |
| N24 | C26 | C27 | H5 | 120.5° | 120.0° |
| N24 | C26 | C27 | H6 | 120.5° | 119.9° |
| N24 | C26 | C27 | C28 | 26.2° | 100.0° |
| N24 | C26 | C27 | C32 | 153.6° | 80.0° |
| N24 | C26 | H5 | H6 | 118.5° | 119.9° |
| C26 | C27 | C28 | C32 | 179.8° | 180.0° |
| C26 | C27 | C28 | C29 | 179.8° | 180.0° |
| C26 | C27 | C32 | O33 | 1.7° | 0.0° |
| C26 | C27 | C32 | C31 | 179.7° | 179.4° |
| C27 | C26 | H5 | H6 | 118.5° | 120.1° |
| C26 | C27 | C28 | H7 | 0.1° | 0.2° |
| C27 | C26 | N24 | H11 | 77.9° | 0.0° |
| C27 | C28 | C29 | H7 | 180.0° | 179.7° |
| C28 | C27 | C32 | O33 | 178.5° | 180.0° |
| C28 | C27 | C32 | C31 | 0.5° | 0.6° |
| C27 | C28 | C29 | C30 | 0.1° | 0.2° |
| C28 | C27 | C26 | H5 | 94.3° | 140.0° |
| C28 | C27 | C26 | H6 | 146.7° | 19.9° |
| C27 | C28 | C29 | H12 | 179.9° | 179.7° |
| C32 | C27 | C28 | C29 | 0.4° | 0.0° |
| C27 | C32 | O33 | C31 | 178.0° | 179.4° |
| C27 | C32 | O33 | C34 | 94.3° | 179.9° |
| C27 | C32 | C31 | C30 | 0.2° | 0.9° |
| C32 | C27 | C26 | H5 | 85.9° | 39.9° |
| C32 | C27 | C26 | H6 | 33.1° | 160.0° |
| C32 | C27 | C28 | H7 | 179.6° | 179.7° |
| C27 | C32 | C31 | H14 | 179.7° | 179.8° |
| C28 | C29 | C30 | H12 | 180.0° | 179.9° |
| C28 | C29 | C30 | C31 | 0.4° | 0.0° |
| C28 | C29 | C30 | H13 | 179.7° | 180.0° |
| O33 | C32 | C31 | C30 | 178.4° | 179.7° |
| O33 | C32 | C31 | H14 | 1.6° | 0.4° |
| C32 | O33 | C34 | H15 | 180.0° | 180.0° |
| C32 | O33 | C34 | H16 | 60.0° | 60.0° |
| C32 | O33 | C34 | H17 | 60.0° | 59.9° |
| C34 | O33 | C32 | C31 | 83.7° | 0.5° |
| O33 | C34 | H15 | H16 | 120.0° | 119.9° |
| O33 | C34 | H15 | H17 | 120.0° | 120.1° |
| O33 | C34 | H16 | H17 | 120.0° | 120.0° |
| C32 | C31 | C30 | C29 | 0.2° | 0.6° |
| C32 | C31 | C30 | H14 | 180.0° | 179.3° |
| C32 | C31 | C30 | H13 | 179.8° | 179.4° |
| C29 | C30 | C31 | H13 | 180.0° | 180.0° |
| C30 | C29 | C28 | H7 | 179.9° | 180.0° |
| C29 | C30 | C31 | H14 | 179.8° | 179.9° |
| C31 | C30 | C29 | H12 | 179.6° | 180.0° |
| H2 | C13 | C14 | H10 | 1.1° | 0.0° |
| H5 | C26 | N24 | H11 | 161.6° | 120.0° |
| H6 | C26 | N24 | H11 | 42.6° | 120.0° |
| H7 | C28 | C29 | H12 | 0.1° | 0.0° |
| H12 | C29 | C30 | H13 | 0.3° | 0.0° |
| H13 | C30 | C31 | H14 | 0.2° | 0.1° |
| H15 | C34 | H16 | H17 | 120.0° | 120.1° |
