2ZY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F20 | C19 | sing | 1.40Å | 1.34Å | |
| F22 | C19 | sing | 1.40Å | 1.34Å | |
| C19 | F21 | sing | 1.40Å | 1.34Å | |
| C19 | C16 | sing | 1.53Å | 1.39Å | |
| C16 | N14 | sing | 1.46Å | 1.53Å | |
| O18 | C15 | doub | 1.22Å | 1.29Å | |
| C15 | N14 | sing | 1.35Å | 1.37Å | |
| C15 | C11 | sing | 1.47Å | 1.55Å | |
| N14 | C13 | sing | 1.37Å | 1.40Å | |
| C10 | C11 | doub | 1.38Å | 1.51Å | |
| C10 | C2 | sing | 1.47Å | 1.43Å | |
| C11 | N12 | sing | 1.37Å | 1.38Å | |
| C13 | C17 | sing | 1.51Å | 1.52Å | |
| C13 | N12 | doub | 1.30Å | 1.43Å | |
| C1 | C2 | doub | 1.40Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.40Å | 1.34Å | Aromatic |
| F8 | C6 | sing | 1.35Å | 1.33Å | |
| C6 | C5 | doub | 1.39Å | 1.49Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.36Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.46Å | Aromatic |
| C5 | O9 | sing | 1.36Å | 1.32Å | |
| C4 | F7 | sing | 1.35Å | 1.34Å | |
| C16 | H1 | sing | 1.09Å | 1.10Å | |
| C16 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C1 | H9 | sing | 1.08Å | 1.08Å | |
| O9 | H10 | sing | 0.97Å | 0.95Å | |
| C3 | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F20 | C19 | F22 | 109.8° | 109.4° |
| F20 | C19 | F21 | 108.0° | 109.5° |
| F20 | C19 | C16 | 108.9° | 109.5° |
| F22 | C19 | F21 | 109.4° | 109.5° |
| F22 | C19 | C16 | 110.3° | 109.5° |
| F21 | C19 | C16 | 110.5° | 109.5° |
| C19 | C16 | N14 | 112.2° | 109.5° |
| C19 | C16 | H1 | 108.8° | 109.5° |
| C19 | C16 | H2 | 108.8° | 109.5° |
| C16 | N14 | C15 | 120.0° | 125.8° |
| C16 | N14 | C13 | 139.7° | 125.8° |
| N14 | C16 | H1 | 108.8° | 109.5° |
| N14 | C16 | H2 | 108.8° | 109.5° |
| O18 | C15 | N14 | 120.6° | 127.4° |
| O18 | C15 | C11 | 124.3° | 127.3° |
| N14 | C15 | C11 | 115.1° | 105.3° |
| C15 | N14 | C13 | 100.3° | 108.4° |
| C15 | C11 | C10 | 111.5° | 127.2° |
| C15 | C11 | N12 | 100.9° | 105.7° |
| N14 | C13 | C17 | 110.6° | 124.3° |
| N14 | C13 | N12 | 115.4° | 111.4° |
| C11 | C10 | C2 | 144.6° | 120.1° |
| C10 | C11 | N12 | 147.6° | 127.1° |
| C11 | C10 | H7 | 107.7° | 120.0° |
| C10 | C2 | C1 | 127.8° | 120.2° |
| C10 | C2 | C3 | 104.8° | 120.0° |
| C2 | C10 | H7 | 107.7° | 119.9° |
| C11 | N12 | C13 | 108.3° | 109.3° |
| C17 | C13 | N12 | 134.0° | 124.3° |
| C13 | C17 | H4 | 109.5° | 109.5° |
| C13 | C17 | H5 | 109.5° | 109.5° |
| C13 | C17 | H6 | 109.4° | 109.5° |
| C2 | C1 | C6 | 115.2° | 119.9° |
| C1 | C2 | C3 | 127.4° | 119.8° |
| C2 | C1 | H9 | 122.4° | 120.0° |
| C1 | C6 | F8 | 120.7° | 120.0° |
| C1 | C6 | C5 | 120.0° | 120.1° |
| C6 | C1 | H9 | 122.4° | 120.1° |
| C2 | C3 | C4 | 121.5° | 119.8° |
| C2 | C3 | H11 | 119.3° | 120.1° |
| F8 | C6 | C5 | 119.3° | 119.9° |
| C6 | C5 | C4 | 118.6° | 120.3° |
| C6 | C5 | O9 | 122.6° | 119.8° |
| C3 | C4 | C5 | 117.4° | 120.2° |
| C3 | C4 | F7 | 118.2° | 119.9° |
| C4 | C3 | H11 | 119.3° | 120.1° |
| C4 | C5 | O9 | 118.9° | 119.9° |
| C5 | C4 | F7 | 124.3° | 120.0° |
| C5 | O9 | H10 | 109.5° | 114.0° |
| H1 | C16 | H2 | 109.5° | 109.4° |
| H4 | C17 | H5 | 109.4° | 109.4° |
| H4 | C17 | H6 | 109.5° | 109.5° |
| H5 | C17 | H6 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F20 | C19 | F22 | F21 | 118.3° | 120.0° |
| F20 | C19 | F22 | C16 | 120.0° | 120.0° |
| F20 | C19 | F21 | C16 | 118.9° | 120.0° |
| F20 | C19 | C16 | N14 | 138.8° | 60.0° |
| F20 | C19 | C16 | H1 | 100.8° | 180.0° |
| F20 | C19 | C16 | H2 | 18.3° | 60.0° |
| F22 | C19 | F21 | C16 | 121.7° | 120.0° |
| F22 | C19 | C16 | N14 | 18.2° | 180.0° |
| F22 | C19 | C16 | H1 | 138.7° | 60.0° |
| F22 | C19 | C16 | H2 | 102.2° | 60.0° |
| F21 | C19 | C16 | N14 | 102.9° | 60.0° |
| F21 | C19 | C16 | H1 | 17.6° | 60.0° |
| F21 | C19 | C16 | H2 | 136.7° | 180.0° |
| C19 | C16 | N14 | H1 | 120.4° | 120.0° |
| C19 | C16 | N14 | H2 | 120.4° | 120.0° |
| C19 | C16 | N14 | C15 | 128.4° | 90.0° |
| C19 | C16 | N14 | C13 | 53.5° | 90.0° |
| C19 | C16 | H1 | H2 | 118.7° | 120.0° |
| C16 | N14 | C15 | O18 | 1.4° | 0.0° |
| C16 | N14 | C15 | C13 | 178.7° | 180.0° |
| C16 | N14 | C15 | C11 | 179.5° | 179.8° |
| C16 | N14 | C13 | C17 | 1.2° | 0.0° |
| C16 | N14 | C13 | N12 | 179.0° | 180.0° |
| N14 | C16 | H1 | H2 | 118.7° | 120.0° |
| O18 | C15 | N14 | C11 | 179.1° | 179.7° |
| O18 | C15 | N14 | C13 | 179.9° | 180.0° |
| O18 | C15 | C11 | C10 | 0.3° | 0.0° |
| O18 | C15 | C11 | N12 | 179.7° | 179.9° |
| N14 | C15 | C11 | C10 | 179.4° | 179.7° |
| N14 | C15 | C11 | N12 | 0.6° | 0.4° |
| C15 | N14 | C13 | C17 | 179.5° | 180.0° |
| C15 | N14 | C13 | N12 | 0.7° | 0.0° |
| C15 | N14 | C16 | H1 | 111.1° | 150.0° |
| C15 | N14 | C16 | H2 | 8.0° | 30.0° |
| C11 | C15 | N14 | C13 | 0.8° | 0.2° |
| C15 | C11 | C10 | N12 | 180.0° | 179.9° |
| C15 | C11 | C10 | C2 | 179.8° | 174.9° |
| C15 | C11 | N12 | C13 | 0.1° | 0.4° |
| C15 | C11 | C10 | H7 | 0.2° | 5.1° |
| N14 | C13 | N12 | C11 | 0.4° | 0.3° |
| N14 | C13 | C17 | N12 | 179.7° | 180.0° |
| C13 | N14 | C16 | H1 | 66.9° | 30.0° |
| C13 | N14 | C16 | H2 | 173.9° | 149.9° |
| N14 | C13 | C17 | H4 | 179.7° | 90.0° |
| N14 | C13 | C17 | H5 | 59.7° | 150.0° |
| N14 | C13 | C17 | H6 | 60.3° | 30.0° |
| C11 | C10 | C2 | H7 | 180.0° | 180.0° |
| C10 | C11 | N12 | C13 | 179.8° | 179.7° |
| C11 | C10 | C2 | C1 | 179.8° | 173.7° |
| C11 | C10 | C2 | C3 | 0.1° | 6.0° |
| C2 | C10 | C11 | N12 | 0.2° | 5.0° |
| C10 | C2 | C1 | C3 | 179.9° | 179.7° |
| C10 | C2 | C1 | C6 | 180.0° | 180.0° |
| C10 | C2 | C3 | C4 | 179.9° | 179.7° |
| C10 | C2 | C1 | H9 | 0.0° | 0.0° |
| C10 | C2 | C3 | H11 | 0.1° | 0.1° |
| C11 | N12 | C13 | C17 | 179.9° | 179.7° |
| N12 | C11 | C10 | H7 | 179.8° | 175.0° |
| C13 | C17 | H4 | H5 | 120.0° | 120.0° |
| C13 | C17 | H4 | H6 | 120.0° | 120.0° |
| C13 | C17 | H5 | H6 | 120.0° | 120.0° |
| N12 | C13 | C17 | H4 | 0.0° | 90.0° |
| N12 | C13 | C17 | H5 | 120.0° | 30.0° |
| N12 | C13 | C17 | H6 | 120.0° | 150.0° |
| C2 | C1 | C6 | H9 | 180.0° | 180.0° |
| C2 | C1 | C6 | F8 | 179.9° | 180.0° |
| C2 | C1 | C6 | C5 | 0.0° | 0.0° |
| C1 | C2 | C3 | C4 | 0.2° | 0.6° |
| C1 | C2 | C10 | H7 | 0.1° | 6.3° |
| C1 | C2 | C3 | H11 | 179.9° | 179.7° |
| C6 | C1 | C2 | C3 | 0.0° | 0.3° |
| C1 | C6 | F8 | C5 | 179.8° | 180.0° |
| C1 | C6 | C5 | C4 | 0.0° | 0.0° |
| C1 | C6 | C5 | O9 | 179.9° | 179.9° |
| C2 | C3 | C4 | H11 | 180.0° | 179.7° |
| C2 | C3 | C4 | C5 | 0.1° | 0.6° |
| C2 | C3 | C4 | F7 | 180.0° | 179.7° |
| C3 | C2 | C10 | H7 | 179.9° | 174.0° |
| C3 | C2 | C1 | H9 | 180.0° | 179.7° |
| F8 | C6 | C5 | C4 | 179.9° | 180.0° |
| F8 | C6 | C5 | O9 | 0.0° | 0.0° |
| F8 | C6 | C1 | H9 | 0.1° | 0.0° |
| C6 | C5 | C4 | C3 | 0.1° | 0.3° |
| C6 | C5 | C4 | O9 | 179.9° | 180.0° |
| C6 | C5 | C4 | F7 | 179.9° | 180.0° |
| C5 | C6 | C1 | H9 | 180.0° | 180.0° |
| C6 | C5 | O9 | H10 | 180.0° | 90.0° |
| C3 | C4 | C5 | F7 | 179.9° | 179.6° |
| C3 | C4 | C5 | O9 | 180.0° | 179.7° |
| C4 | C5 | O9 | H10 | 0.1° | 90.0° |
| C5 | C4 | C3 | H11 | 179.9° | 179.7° |
| O9 | C5 | C4 | F7 | 0.1° | 0.1° |
| F7 | C4 | C3 | H11 | 0.0° | 0.1° |
| H4 | C17 | H5 | H6 | 120.0° | 120.0° |
