Q3Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C | sing | 1.39Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C | C5 | doub | 1.38Å | 1.37Å | Aromatic |
| O | C7 | doub | 1.21Å | 1.22Å | |
| C3 | N1 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | doub | 1.41Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.39Å | Aromatic |
| C5 | F | sing | 1.35Å | 1.36Å | |
| CL | C13 | sing | 1.74Å | 1.73Å | |
| C7 | N1 | sing | 1.35Å | 1.41Å | |
| C7 | C8 | sing | 1.48Å | 1.51Å | |
| N1 | N | sing | 1.40Å | 1.39Å | Aromatic |
| C4 | C6 | sing | 1.47Å | 1.47Å | Aromatic |
| C8 | C13 | doub | 1.40Å | 1.40Å | Aromatic |
| C8 | C9 | sing | 1.40Å | 1.42Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| N | C6 | doub | 1.31Å | 1.30Å | Aromatic |
| C6 | N2 | sing | 1.39Å | 1.37Å | |
| C9 | C14 | sing | 1.51Å | 1.52Å | |
| C9 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.53Å | 1.50Å | |
| C14 | C16 | sing | 1.53Å | 1.50Å | |
| C12 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.53Å | 1.48Å | |
| N2 | C21 | sing | 1.47Å | 1.47Å | |
| N2 | C17 | sing | 1.47Å | 1.46Å | |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.53Å | 1.54Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C20 | C19 | sing | 1.53Å | 1.54Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C18 | O3 | sing | 1.43Å | 1.43Å | |
| C19 | C22 | sing | 1.51Å | 1.54Å | |
| C22 | O1 | doub | 1.21Å | 1.26Å | |
| C22 | O2 | sing | 1.34Å | 1.25Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C10 | H2 | sing | 1.08Å | 1.08Å | |
| C12 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H4 | sing | 1.08Å | 1.08Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C | H12 | sing | 1.08Å | 1.08Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| O2 | H16 | sing | 0.97Å | 0.95Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| O3 | H18 | sing | 0.97Å | 0.95Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C1 | H21 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C | 121.0° | 120.6° |
| C1 | C2 | C3 | 119.2° | 119.9° |
| C1 | C2 | H1 | 120.4° | 120.0° |
| C2 | C1 | H21 | 119.5° | 119.7° |
| C1 | C | C5 | 118.2° | 120.4° |
| C1 | C | H12 | 120.9° | 119.8° |
| C | C1 | H21 | 119.5° | 119.7° |
| C2 | C3 | N1 | 134.1° | 133.7° |
| C2 | C3 | C4 | 120.5° | 119.6° |
| C3 | C2 | H1 | 120.4° | 120.0° |
| C | C5 | C4 | 122.8° | 119.7° |
| C | C5 | F | 118.6° | 120.2° |
| C5 | C | H12 | 120.9° | 119.8° |
| O | C7 | N1 | 121.5° | 120.0° |
| O | C7 | C8 | 119.6° | 120.0° |
| N1 | C3 | C4 | 105.3° | 106.7° |
| C3 | N1 | C7 | 129.8° | 125.4° |
| C3 | N1 | N | 110.8° | 109.1° |
| C3 | C4 | C5 | 118.4° | 119.8° |
| C3 | C4 | C6 | 107.1° | 106.3° |
| C4 | C5 | F | 118.6° | 120.2° |
| C5 | C4 | C6 | 134.1° | 133.9° |
| CL | C13 | C8 | 120.0° | 120.1° |
| CL | C13 | C12 | 118.3° | 120.1° |
| N1 | C7 | C8 | 118.8° | 120.0° |
| C7 | N1 | N | 119.4° | 125.4° |
| C7 | C8 | C13 | 120.4° | 120.2° |
| C7 | C8 | C9 | 120.4° | 120.2° |
| N1 | N | C6 | 109.0° | 110.0° |
| C4 | C6 | N | 107.9° | 107.7° |
| C4 | C6 | N2 | 129.9° | 126.2° |
| C13 | C8 | C9 | 119.1° | 119.7° |
| C8 | C13 | C12 | 121.7° | 119.8° |
| C8 | C9 | C14 | 121.9° | 120.1° |
| C8 | C9 | C10 | 118.1° | 119.9° |
| C13 | C12 | C11 | 119.2° | 120.2° |
| C13 | C12 | H3 | 120.4° | 119.9° |
| N | C6 | N2 | 122.3° | 126.1° |
| C6 | N2 | C21 | 118.1° | 111.0° |
| C6 | N2 | C17 | 118.7° | 111.0° |
| C14 | C9 | C10 | 120.0° | 120.1° |
| C9 | C14 | C15 | 121.9° | 117.5° |
| C9 | C14 | C16 | 121.6° | 117.5° |
| C9 | C14 | H11 | 114.3° | 115.6° |
| C9 | C10 | C11 | 121.7° | 120.2° |
| C9 | C10 | H2 | 119.1° | 119.9° |
| C15 | C14 | C16 | 58.8° | 60.0° |
| C14 | C15 | C16 | 60.6° | 60.0° |
| C14 | C15 | H9 | 119.9° | 117.5° |
| C14 | C15 | H10 | 119.9° | 117.5° |
| C15 | C14 | H11 | 114.6° | 117.5° |
| C14 | C16 | C15 | 60.6° | 60.1° |
| C14 | C16 | H7 | 119.9° | 117.6° |
| C14 | C16 | H8 | 119.9° | 117.5° |
| C16 | C14 | H11 | 114.6° | 117.5° |
| C12 | C11 | C10 | 120.2° | 120.3° |
| C11 | C12 | H3 | 120.4° | 119.9° |
| C12 | C11 | H4 | 119.9° | 119.8° |
| C15 | C16 | H7 | 119.9° | 117.5° |
| C15 | C16 | H8 | 119.9° | 117.5° |
| C16 | C15 | H9 | 119.9° | 117.5° |
| C16 | C15 | H10 | 119.9° | 117.5° |
| C21 | N2 | C17 | 116.2° | 111.3° |
| N2 | C21 | C20 | 112.3° | 109.5° |
| N2 | C21 | H19 | 108.7° | 109.5° |
| N2 | C21 | H20 | 108.8° | 109.4° |
| N2 | C17 | C18 | 109.9° | 109.5° |
| N2 | C17 | H5 | 109.4° | 109.5° |
| N2 | C17 | H6 | 109.3° | 109.5° |
| C11 | C10 | H2 | 119.2° | 119.9° |
| C10 | C11 | H4 | 119.9° | 119.8° |
| C21 | C20 | C19 | 111.6° | 109.3° |
| C21 | C20 | H13 | 108.9° | 109.5° |
| C21 | C20 | H14 | 109.0° | 109.5° |
| C20 | C21 | H19 | 108.8° | 109.5° |
| C20 | C21 | H20 | 108.7° | 109.4° |
| C17 | C18 | C19 | 109.8° | 109.3° |
| C17 | C18 | O3 | 108.7° | 109.5° |
| C18 | C17 | H5 | 109.4° | 109.4° |
| C18 | C17 | H6 | 109.4° | 109.5° |
| C17 | C18 | H17 | 108.8° | 109.5° |
| C20 | C19 | C18 | 110.0° | 109.2° |
| C20 | C19 | C22 | 114.4° | 109.5° |
| C19 | C20 | H13 | 108.9° | 109.5° |
| C19 | C20 | H14 | 108.9° | 109.5° |
| C20 | C19 | H15 | 105.8° | 109.6° |
| C19 | C18 | O3 | 110.9° | 109.5° |
| C18 | C19 | C22 | 114.3° | 109.5° |
| C18 | C19 | H15 | 105.8° | 109.5° |
| C19 | C18 | H17 | 108.6° | 109.5° |
| O3 | C18 | H17 | 110.0° | 109.5° |
| C18 | O3 | H18 | 109.5° | 114.0° |
| C19 | C22 | O1 | 118.4° | 120.0° |
| C19 | C22 | O2 | 117.1° | 120.0° |
| C22 | C19 | H15 | 105.8° | 109.5° |
| O1 | C22 | O2 | 124.5° | 120.0° |
| C22 | O2 | H16 | 109.5° | 116.9° |
| H5 | C17 | H6 | 109.5° | 109.5° |
| H7 | C16 | H8 | 109.5° | 115.5° |
| H9 | C15 | H10 | 109.5° | 115.6° |
| H13 | C20 | H14 | 109.5° | 109.5° |
| H19 | C21 | H20 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C | H21 | 180.0° | 179.8° |
| C1 | C2 | C3 | H1 | 180.0° | 180.0° |
| C2 | C1 | C | C5 | 0.9° | 0.5° |
| C1 | C2 | C3 | N1 | 173.9° | 180.0° |
| C1 | C2 | C3 | C4 | 1.2° | 0.0° |
| C2 | C1 | C | H12 | 179.1° | 179.9° |
| C | C1 | C2 | C3 | 0.4° | 0.2° |
| C1 | C | C5 | H12 | 180.0° | 179.4° |
| C1 | C | C5 | C4 | 0.1° | 0.6° |
| C1 | C | C5 | F | 179.8° | 179.4° |
| C | C1 | C2 | H1 | 179.6° | 179.8° |
| C2 | C3 | N1 | C4 | 175.6° | 179.9° |
| C2 | C3 | C4 | C5 | 2.1° | 0.2° |
| C2 | C3 | N1 | C7 | 2.4° | 0.2° |
| C2 | C3 | N1 | N | 175.7° | 179.9° |
| C2 | C3 | C4 | C6 | 176.1° | 179.8° |
| C3 | C2 | C1 | H21 | 179.6° | 179.9° |
| C | C5 | C4 | C3 | 1.6° | 0.5° |
| C | C5 | C4 | F | 179.9° | 180.0° |
| C | C5 | C4 | C6 | 173.6° | 180.0° |
| C5 | C | C1 | H21 | 179.1° | 179.6° |
| O | C7 | N1 | C3 | 0.3° | 5.4° |
| O | C7 | N1 | C8 | 178.1° | 179.9° |
| O | C7 | N1 | N | 177.6° | 175.0° |
| O | C7 | C8 | C13 | 108.6° | 85.2° |
| O | C7 | C8 | C9 | 74.4° | 95.1° |
| N1 | C3 | C4 | C5 | 174.2° | 179.9° |
| C3 | N1 | C7 | N | 177.9° | 179.7° |
| C3 | N1 | C7 | C8 | 178.4° | 174.7° |
| N1 | C3 | C4 | C6 | 0.2° | 0.2° |
| C3 | N1 | N | C6 | 0.5° | 0.2° |
| N1 | C3 | C2 | H1 | 6.1° | 0.0° |
| C3 | C4 | C5 | C6 | 172.0° | 179.5° |
| C3 | C4 | C5 | F | 178.3° | 179.6° |
| C4 | C3 | N1 | C7 | 178.0° | 179.7° |
| C4 | C3 | N1 | N | 0.1° | 0.0° |
| C3 | C4 | C6 | N | 0.5° | 0.4° |
| C3 | C4 | C6 | N2 | 178.2° | 179.6° |
| C4 | C3 | C2 | H1 | 178.9° | 179.9° |
| C5 | C4 | C6 | N | 173.2° | 180.0° |
| C5 | C4 | C6 | N2 | 5.5° | 0.0° |
| C4 | C5 | C | H12 | 179.9° | 180.0° |
| F | C5 | C4 | C6 | 6.3° | 0.0° |
| F | C5 | C | H12 | 0.2° | 0.0° |
| CL | C13 | C8 | C7 | 3.2° | 0.2° |
| CL | C13 | C8 | C12 | 179.7° | 180.0° |
| CL | C13 | C8 | C9 | 179.7° | 180.0° |
| CL | C13 | C12 | C11 | 179.9° | 180.0° |
| CL | C13 | C12 | H3 | 0.1° | 0.0° |
| N1 | C7 | C8 | C13 | 69.5° | 94.7° |
| N1 | C7 | C8 | C9 | 107.5° | 85.0° |
| C7 | N1 | N | C6 | 177.8° | 180.0° |
| C8 | C7 | N1 | N | 0.4° | 5.0° |
| C7 | C8 | C13 | C9 | 177.0° | 179.7° |
| C7 | C8 | C13 | C12 | 176.4° | 179.7° |
| C7 | C8 | C9 | C14 | 2.7° | 0.3° |
| C7 | C8 | C9 | C10 | 176.7° | 179.8° |
| N1 | N | C6 | C4 | 0.6° | 0.4° |
| N1 | N | C6 | N2 | 178.2° | 179.6° |
| C4 | C6 | N | N2 | 178.8° | 180.0° |
| C4 | C6 | N2 | C21 | 150.4° | 73.7° |
| C4 | C6 | N2 | C17 | 59.8° | 162.0° |
| C13 | C8 | C9 | C14 | 179.7° | 180.0° |
| C13 | C8 | C9 | C10 | 0.4° | 0.0° |
| C8 | C13 | C12 | C11 | 0.2° | 0.0° |
| C8 | C13 | C12 | H3 | 179.8° | 180.0° |
| C9 | C8 | C13 | C12 | 0.6° | 0.0° |
| C8 | C9 | C14 | C10 | 179.3° | 180.0° |
| C8 | C9 | C14 | C15 | 60.9° | 125.4° |
| C8 | C9 | C14 | C16 | 131.4° | 166.0° |
| C8 | C9 | C10 | C11 | 0.2° | 0.0° |
| C8 | C9 | C10 | H2 | 179.8° | 180.0° |
| C8 | C9 | C14 | H11 | 84.1° | 20.2° |
| C13 | C12 | C11 | H3 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 0.4° | 0.0° |
| C13 | C12 | C11 | H4 | 179.6° | 179.9° |
| N | C6 | N2 | C21 | 28.1° | 106.3° |
| N | C6 | N2 | C17 | 121.7° | 18.0° |
| C6 | N2 | C21 | C17 | 150.5° | 124.1° |
| C6 | N2 | C21 | C20 | 159.7° | 174.2° |
| C6 | N2 | C17 | C18 | 154.6° | 174.2° |
| C6 | N2 | C17 | H5 | 34.5° | 65.9° |
| C6 | N2 | C17 | H6 | 85.4° | 54.1° |
| C6 | N2 | C21 | H19 | 79.8° | 54.1° |
| C6 | N2 | C21 | H20 | 39.3° | 65.9° |
| C9 | C14 | C15 | C16 | 110.2° | 107.5° |
| C9 | C14 | C15 | H11 | 144.8° | 145.0° |
| C9 | C14 | C16 | H11 | 144.4° | 145.1° |
| C14 | C9 | C10 | C11 | 179.1° | 180.0° |
| C14 | C9 | C10 | H2 | 0.9° | 0.1° |
| C9 | C14 | C16 | H7 | 139.8° | 0.1° |
| C9 | C14 | C16 | H8 | 0.9° | 145.0° |
| C9 | C14 | C15 | H9 | 0.6° | 145.0° |
| C9 | C14 | C15 | H10 | 140.2° | 0.0° |
| C10 | C9 | C14 | C15 | 118.4° | 54.5° |
| C10 | C9 | C14 | C16 | 47.9° | 14.0° |
| C9 | C10 | C11 | C12 | 0.6° | 0.0° |
| C9 | C10 | C11 | H2 | 180.0° | 179.9° |
| C9 | C10 | C11 | H4 | 179.4° | 180.0° |
| C10 | C9 | C14 | H11 | 96.6° | 159.8° |
| C15 | C14 | C16 | H11 | 105.0° | 107.4° |
| C14 | C15 | C16 | H9 | 109.7° | 107.4° |
| C14 | C15 | C16 | H10 | 109.6° | 107.5° |
| C15 | C14 | C16 | H7 | 109.6° | 107.5° |
| C15 | C14 | C16 | H8 | 109.6° | 107.5° |
| C14 | C15 | H9 | H10 | 144.4° | 145.7° |
| C14 | C16 | H7 | H8 | 144.4° | 145.7° |
| C12 | C11 | C10 | H4 | 180.0° | 180.0° |
| C12 | C11 | C10 | H2 | 179.4° | 179.9° |
| C15 | C16 | H7 | H8 | 144.4° | 145.6° |
| C16 | C15 | H9 | H10 | 144.4° | 145.7° |
| N2 | C21 | C20 | H19 | 120.4° | 120.1° |
| N2 | C21 | C20 | H20 | 120.4° | 120.0° |
| C21 | N2 | C17 | C18 | 55.1° | 61.7° |
| N2 | C21 | C20 | C19 | 47.8° | 59.1° |
| C21 | N2 | C17 | H5 | 175.2° | 58.2° |
| C21 | N2 | C17 | H6 | 65.0° | 178.2° |
| N2 | C21 | C20 | H13 | 168.1° | 60.8° |
| N2 | C21 | C20 | H14 | 72.6° | 179.1° |
| N2 | C21 | H19 | H20 | 118.7° | 120.0° |
| C17 | N2 | C21 | C20 | 49.8° | 61.7° |
| N2 | C17 | C18 | H5 | 120.0° | 120.0° |
| N2 | C17 | C18 | H6 | 120.1° | 120.0° |
| N2 | C17 | C18 | C19 | 58.6° | 59.1° |
| N2 | C17 | C18 | O3 | 179.9° | 179.1° |
| N2 | C17 | H5 | H6 | 119.8° | 120.0° |
| N2 | C17 | C18 | H17 | 60.1° | 60.8° |
| C17 | N2 | C21 | H19 | 70.6° | 178.2° |
| C17 | N2 | C21 | H20 | 170.2° | 58.2° |
| C10 | C11 | C12 | H3 | 179.6° | 180.0° |
| C21 | C20 | C19 | H13 | 120.3° | 119.9° |
| C21 | C20 | C19 | H14 | 120.4° | 120.0° |
| C21 | C20 | C19 | C18 | 53.3° | 57.6° |
| C21 | C20 | C19 | C22 | 176.5° | 177.5° |
| C21 | C20 | H13 | H14 | 119.0° | 120.1° |
| C21 | C20 | C19 | H15 | 60.5° | 62.3° |
| C20 | C21 | H19 | H20 | 118.7° | 119.9° |
| C17 | C18 | C19 | C20 | 59.0° | 57.6° |
| C17 | C18 | C19 | O3 | 120.2° | 120.0° |
| C17 | C18 | C19 | H17 | 118.8° | 119.9° |
| C17 | C18 | O3 | H17 | 119.0° | 120.1° |
| C17 | C18 | C19 | C22 | 170.8° | 177.6° |
| C18 | C17 | H5 | H6 | 119.9° | 120.0° |
| C17 | C18 | C19 | H15 | 54.8° | 62.3° |
| C17 | C18 | O3 | H18 | 180.0° | 60.0° |
| C20 | C19 | C18 | C22 | 130.3° | 119.9° |
| C20 | C19 | C18 | H15 | 113.8° | 120.0° |
| C20 | C19 | C18 | O3 | 179.1° | 177.6° |
| C20 | C19 | C22 | H15 | 116.0° | 120.2° |
| C20 | C19 | C22 | O1 | 20.1° | 120.0° |
| C20 | C19 | C22 | O2 | 162.7° | 60.0° |
| C19 | C20 | H13 | H14 | 119.0° | 120.1° |
| C20 | C19 | C18 | H17 | 59.9° | 62.3° |
| C19 | C20 | C21 | H19 | 72.7° | 179.2° |
| C19 | C20 | C21 | H20 | 168.2° | 60.8° |
| C19 | C18 | O3 | H17 | 120.1° | 120.1° |
| C18 | C19 | C22 | H15 | 116.0° | 120.1° |
| C18 | C19 | C22 | O1 | 148.1° | 0.3° |
| C18 | C19 | C22 | O2 | 34.7° | 179.7° |
| C19 | C18 | C17 | H5 | 178.6° | 60.9° |
| C19 | C18 | C17 | H6 | 61.5° | 179.2° |
| C18 | C19 | C20 | H13 | 173.6° | 62.3° |
| C18 | C19 | C20 | H14 | 67.0° | 177.6° |
| C19 | C18 | O3 | H18 | 59.2° | 179.8° |
| O3 | C18 | C19 | C22 | 50.6° | 62.5° |
| O3 | C18 | C17 | H5 | 59.9° | 59.1° |
| O3 | C18 | C17 | H6 | 60.0° | 60.8° |
| O3 | C18 | C19 | H15 | 65.3° | 57.6° |
| C19 | C22 | O1 | O2 | 177.0° | 180.0° |
| C22 | C19 | C20 | H13 | 56.2° | 57.6° |
| C22 | C19 | C20 | H14 | 63.1° | 62.5° |
| C19 | C22 | O2 | H16 | 177.0° | 180.0° |
| C22 | C19 | C18 | H17 | 70.4° | 57.6° |
| O1 | C22 | C19 | H15 | 95.9° | 119.8° |
| O1 | C22 | O2 | H16 | 0.0° | 0.0° |
| O2 | C22 | C19 | H15 | 81.3° | 60.2° |
| H1 | C2 | C1 | H21 | 0.4° | 0.1° |
| H2 | C10 | C11 | H4 | 0.6° | 0.1° |
| H3 | C12 | C11 | H4 | 0.4° | 0.1° |
| H5 | C17 | C18 | H17 | 60.0° | 179.2° |
| H6 | C17 | C18 | H17 | 179.9° | 59.3° |
| H7 | C16 | C15 | H9 | 140.7° | 145.0° |
| H7 | C16 | C15 | H10 | 0.1° | 0.0° |
| H7 | C16 | C14 | H11 | 4.7° | 145.0° |
| H8 | C16 | C15 | H9 | 0.0° | 0.1° |
| H8 | C16 | C15 | H10 | 140.8° | 144.9° |
| H8 | C16 | C14 | H11 | 145.4° | 0.1° |
| H9 | C15 | C14 | H11 | 145.4° | 0.1° |
| H10 | C15 | C14 | H11 | 4.7° | 145.0° |
| H12 | C | C1 | H21 | 0.9° | 0.3° |
| H13 | C20 | C19 | H15 | 59.8° | 177.8° |
| H13 | C20 | C21 | H19 | 47.6° | 59.3° |
| H13 | C20 | C21 | H20 | 71.5° | 179.2° |
| H14 | C20 | C19 | H15 | 179.1° | 57.7° |
| H14 | C20 | C21 | H19 | 167.0° | 60.7° |
| H14 | C20 | C21 | H20 | 47.8° | 59.2° |
| H15 | C19 | C18 | H17 | 173.6° | 177.7° |
| H17 | C18 | O3 | H18 | 61.0° | 60.1° |
