ZVX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F9 | C6 | sing | 1.35Å | 1.34Å | |
| C6 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
| C3 | O2 | sing | 1.36Å | 1.38Å | |
| O2 | C1 | sing | 1.43Å | 1.43Å | |
| C1 | C10 | sing | 1.53Å | 1.52Å | |
| C10 | S11 | sing | 1.81Å | 1.76Å | |
| S11 | C12 | sing | 1.76Å | 1.74Å | |
| C12 | N13 | doub | 1.31Å | 1.32Å | Aromatic |
| C12 | N16 | sing | 1.37Å | 1.32Å | Aromatic |
| N13 | N14 | sing | 1.29Å | 1.30Å | Aromatic |
| N14 | C15 | doub | 1.30Å | 1.35Å | Aromatic |
| N16 | C17 | sing | 1.46Å | 1.48Å | |
| N16 | C15 | sing | 1.37Å | 1.34Å | Aromatic |
| C15 | C18 | sing | 1.51Å | 1.49Å | |
| C18 | C19 | sing | 1.53Å | 1.49Å | |
| C18 | N20 | sing | 1.47Å | 1.34Å | |
| N20 | C21 | sing | 1.35Å | 1.33Å | |
| C21 | O28 | doub | 1.22Å | 1.21Å | |
| C21 | C22 | sing | 1.48Å | 1.51Å | |
| C22 | C27 | sing | 1.40Å | 1.39Å | Aromatic |
| C22 | C23 | doub | 1.40Å | 1.39Å | Aromatic |
| C27 | F30 | sing | 1.35Å | 1.34Å | |
| C27 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C23 | F29 | sing | 1.35Å | 1.33Å | |
| C23 | C24 | sing | 1.38Å | 1.40Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C1 | H11C | sing | 1.09Å | 1.10Å | |
| C1 | H12C | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H173 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H193 | sing | 1.09Å | 1.10Å | |
| N20 | H20 | sing | 0.97Å | 1.00Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F9 | C6 | C7 | 119.1° | 120.0° |
| F9 | C6 | C5 | 119.6° | 119.9° |
| C7 | C6 | C5 | 121.3° | 120.1° |
| C6 | C7 | C8 | 119.5° | 120.0° |
| C6 | C7 | H7 | 120.3° | 120.0° |
| C6 | C5 | C4 | 118.9° | 120.0° |
| C6 | C5 | H5 | 120.5° | 120.0° |
| C7 | C8 | C3 | 119.8° | 120.0° |
| C8 | C7 | H7 | 120.3° | 120.0° |
| C7 | C8 | H8 | 120.1° | 120.0° |
| C8 | C3 | C4 | 120.3° | 120.0° |
| C8 | C3 | O2 | 117.4° | 120.0° |
| C3 | C8 | H8 | 120.1° | 120.0° |
| C5 | C4 | C3 | 120.2° | 119.9° |
| C4 | C5 | H5 | 120.5° | 119.9° |
| C5 | C4 | H4 | 119.9° | 120.1° |
| C4 | C3 | O2 | 122.3° | 120.0° |
| C3 | C4 | H4 | 119.9° | 120.0° |
| C3 | O2 | C1 | 125.1° | 117.0° |
| O2 | C1 | C10 | 111.4° | 109.4° |
| O2 | C1 | H11C | 109.0° | 109.5° |
| O2 | C1 | H12C | 109.0° | 109.5° |
| C1 | C10 | S11 | 110.6° | 109.4° |
| C10 | C1 | H11C | 109.0° | 109.4° |
| C10 | C1 | H12C | 109.0° | 109.5° |
| C1 | C10 | H101 | 109.2° | 109.4° |
| C1 | C10 | H102 | 109.2° | 109.5° |
| C10 | S11 | C12 | 106.2° | 100.0° |
| S11 | C10 | H101 | 109.2° | 109.5° |
| S11 | C10 | H102 | 109.2° | 109.5° |
| S11 | C12 | N13 | 122.4° | 126.5° |
| S11 | C12 | N16 | 122.8° | 126.5° |
| N13 | C12 | N16 | 114.7° | 107.1° |
| C12 | N13 | N14 | 103.3° | 109.8° |
| C12 | N16 | C17 | 127.1° | 127.2° |
| C12 | N16 | C15 | 103.2° | 105.7° |
| N13 | N14 | C15 | 110.6° | 110.1° |
| N14 | C15 | N16 | 108.2° | 107.3° |
| N14 | C15 | C18 | 124.5° | 126.3° |
| C17 | N16 | C15 | 129.7° | 127.1° |
| N16 | C17 | H171 | 109.5° | 109.5° |
| N16 | C17 | H172 | 109.5° | 109.5° |
| N16 | C17 | H173 | 109.5° | 109.4° |
| N16 | C15 | C18 | 127.4° | 126.3° |
| C15 | C18 | C19 | 114.7° | 109.5° |
| C15 | C18 | N20 | 122.8° | 109.5° |
| C15 | C18 | H18 | 97.7° | 109.5° |
| C19 | C18 | N20 | 116.8° | 109.5° |
| C19 | C18 | H18 | 97.6° | 109.5° |
| C18 | C19 | H191 | 109.5° | 109.5° |
| C18 | C19 | H192 | 109.4° | 109.5° |
| C18 | C19 | H193 | 109.5° | 109.5° |
| C18 | N20 | C21 | 125.3° | 120.0° |
| N20 | C18 | H18 | 98.5° | 109.4° |
| C18 | N20 | H20 | 117.3° | 120.0° |
| N20 | C21 | O28 | 120.2° | 120.0° |
| N20 | C21 | C22 | 122.7° | 120.0° |
| C21 | N20 | H20 | 117.3° | 120.0° |
| O28 | C21 | C22 | 117.1° | 120.0° |
| C21 | C22 | C27 | 120.5° | 120.1° |
| C21 | C22 | C23 | 121.1° | 120.2° |
| C27 | C22 | C23 | 118.4° | 119.6° |
| C22 | C27 | F30 | 120.0° | 120.2° |
| C22 | C27 | C26 | 120.7° | 119.8° |
| C22 | C23 | F29 | 119.6° | 120.1° |
| C22 | C23 | C24 | 121.5° | 119.8° |
| F30 | C27 | C26 | 119.3° | 120.1° |
| C27 | C26 | C25 | 120.2° | 120.2° |
| C27 | C26 | H26 | 119.9° | 119.9° |
| F29 | C23 | C24 | 118.9° | 120.1° |
| C23 | C24 | C25 | 119.9° | 120.2° |
| C23 | C24 | H24 | 120.0° | 119.9° |
| C24 | C25 | C26 | 119.2° | 120.4° |
| C25 | C24 | H24 | 120.1° | 119.9° |
| C24 | C25 | H25 | 120.4° | 119.8° |
| C25 | C26 | H26 | 119.9° | 119.9° |
| C26 | C25 | H25 | 120.4° | 119.8° |
| H11C | C1 | H12C | 109.5° | 109.5° |
| H101 | C10 | H102 | 109.5° | 109.5° |
| H171 | C17 | H172 | 109.4° | 109.5° |
| H171 | C17 | H173 | 109.4° | 109.5° |
| H172 | C17 | H173 | 109.5° | 109.4° |
| H191 | C19 | H192 | 109.5° | 109.5° |
| H191 | C19 | H193 | 109.4° | 109.4° |
| H192 | C19 | H193 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F9 | C6 | C7 | C5 | 180.0° | 179.7° |
| F9 | C6 | C7 | C8 | 179.8° | 180.0° |
| F9 | C6 | C5 | C4 | 179.7° | 180.0° |
| F9 | C6 | C7 | H7 | 0.2° | 0.0° |
| F9 | C6 | C5 | H5 | 0.3° | 0.1° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | C3 | 0.1° | 0.0° |
| C7 | C6 | C5 | C4 | 0.3° | 0.3° |
| C7 | C6 | C5 | H5 | 179.6° | 179.7° |
| C6 | C7 | C8 | H8 | 179.9° | 179.9° |
| C5 | C6 | C7 | C8 | 0.2° | 0.3° |
| C6 | C5 | C4 | H5 | 180.0° | 179.9° |
| C6 | C5 | C4 | C3 | 0.2° | 0.0° |
| C5 | C6 | C7 | H7 | 179.8° | 179.7° |
| C6 | C5 | C4 | H4 | 179.8° | 180.0° |
| C7 | C8 | C3 | H8 | 180.0° | 180.0° |
| C7 | C8 | C3 | C4 | 0.0° | 0.3° |
| C7 | C8 | C3 | O2 | 179.8° | 180.0° |
| C8 | C3 | C4 | C5 | 0.1° | 0.3° |
| C8 | C3 | C4 | O2 | 179.8° | 179.7° |
| C8 | C3 | O2 | C1 | 176.9° | 180.0° |
| C3 | C8 | C7 | H7 | 179.9° | 180.0° |
| C8 | C3 | C4 | H4 | 179.9° | 179.7° |
| C5 | C4 | C3 | H4 | 180.0° | 180.0° |
| C5 | C4 | C3 | O2 | 179.9° | 180.0° |
| C4 | C3 | O2 | C1 | 3.3° | 0.3° |
| C3 | C4 | C5 | H5 | 179.7° | 179.9° |
| C4 | C3 | C8 | H8 | 180.0° | 179.7° |
| C3 | O2 | C1 | C10 | 48.0° | 180.0° |
| O2 | C3 | C8 | H8 | 0.1° | 0.0° |
| O2 | C3 | C4 | H4 | 0.1° | 0.0° |
| C3 | O2 | C1 | H11C | 72.3° | 60.1° |
| C3 | O2 | C1 | H12C | 168.3° | 60.0° |
| O2 | C1 | C10 | H11C | 120.3° | 120.0° |
| O2 | C1 | C10 | H12C | 120.3° | 120.0° |
| O2 | C1 | C10 | S11 | 103.3° | 180.0° |
| O2 | C1 | H11C | H12C | 119.1° | 120.1° |
| O2 | C1 | C10 | H101 | 16.9° | 60.0° |
| O2 | C1 | C10 | H102 | 136.6° | 60.0° |
| C1 | C10 | S11 | H101 | 120.2° | 119.9° |
| C1 | C10 | S11 | H102 | 120.2° | 120.0° |
| C1 | C10 | S11 | C12 | 72.3° | 180.0° |
| C10 | C1 | H11C | H12C | 119.1° | 120.0° |
| C1 | C10 | H101 | H102 | 119.5° | 120.0° |
| C10 | S11 | C12 | N13 | 44.5° | 0.0° |
| C10 | S11 | C12 | N16 | 134.5° | 179.7° |
| S11 | C10 | C1 | H11C | 136.4° | 60.0° |
| S11 | C10 | C1 | H12C | 17.1° | 60.0° |
| S11 | C10 | H101 | H102 | 119.5° | 120.1° |
| S11 | C12 | N13 | N16 | 179.0° | 179.7° |
| S11 | C12 | N13 | N14 | 179.5° | 180.0° |
| S11 | C12 | N16 | C17 | 1.0° | 0.1° |
| S11 | C12 | N16 | C15 | 179.2° | 179.9° |
| C12 | S11 | C10 | H101 | 47.9° | 60.1° |
| C12 | S11 | C10 | H102 | 167.6° | 60.0° |
| C12 | N13 | N14 | C15 | 0.7° | 0.0° |
| N13 | C12 | N16 | C17 | 180.0° | 179.8° |
| N13 | C12 | N16 | C15 | 0.1° | 0.4° |
| N16 | C12 | N13 | N14 | 0.5° | 0.3° |
| C12 | N16 | C15 | N14 | 0.3° | 0.4° |
| C12 | N16 | C17 | C15 | 179.8° | 179.8° |
| C12 | N16 | C15 | C18 | 179.7° | 179.8° |
| C12 | N16 | C17 | H171 | 180.0° | 89.9° |
| C12 | N16 | C17 | H172 | 60.0° | 150.1° |
| C12 | N16 | C17 | H173 | 60.0° | 30.1° |
| N13 | N14 | C15 | N16 | 0.6° | 0.2° |
| N13 | N14 | C15 | C18 | 179.9° | 180.0° |
| N14 | C15 | N16 | C17 | 179.5° | 179.8° |
| N14 | C15 | N16 | C18 | 179.5° | 179.8° |
| N14 | C15 | C18 | C19 | 75.8° | 75.1° |
| N14 | C15 | C18 | N20 | 76.8° | 45.0° |
| N14 | C15 | C18 | H18 | 177.8° | 164.9° |
| C17 | N16 | C15 | C18 | 0.1° | 0.0° |
| N16 | C17 | H171 | H172 | 120.0° | 120.0° |
| N16 | C17 | H171 | H173 | 120.0° | 120.0° |
| N16 | C17 | H172 | H173 | 120.0° | 120.0° |
| N16 | C15 | C18 | C19 | 103.6° | 104.7° |
| N16 | C15 | C18 | N20 | 103.8° | 135.2° |
| C15 | N16 | C17 | H171 | 0.2° | 89.9° |
| C15 | N16 | C17 | H172 | 119.8° | 30.2° |
| C15 | N16 | C17 | H173 | 120.2° | 150.1° |
| N16 | C15 | C18 | H18 | 1.5° | 15.3° |
| C15 | C18 | C19 | N20 | 154.3° | 120.0° |
| C15 | C18 | C19 | H18 | 102.1° | 120.0° |
| C15 | C18 | N20 | H18 | 104.9° | 120.0° |
| C15 | C18 | N20 | C21 | 3.5° | 155.0° |
| C15 | C18 | C19 | H191 | 180.0° | 60.0° |
| C15 | C18 | C19 | H192 | 60.0° | 60.0° |
| C15 | C18 | C19 | H193 | 60.0° | 180.0° |
| C15 | C18 | N20 | H20 | 176.6° | 25.1° |
| C19 | C18 | N20 | H18 | 103.0° | 120.0° |
| C19 | C18 | N20 | C21 | 155.5° | 85.0° |
| C18 | C19 | H191 | H192 | 120.0° | 120.0° |
| C18 | C19 | H191 | H193 | 120.0° | 120.0° |
| C18 | C19 | H192 | H193 | 120.0° | 120.0° |
| C19 | C18 | N20 | H20 | 24.5° | 95.0° |
| C18 | N20 | C21 | H20 | 180.0° | 179.9° |
| C18 | N20 | C21 | O28 | 37.3° | 0.0° |
| C18 | N20 | C21 | C22 | 145.1° | 180.0° |
| N20 | C18 | C19 | H191 | 25.7° | 60.0° |
| N20 | C18 | C19 | H192 | 94.3° | 180.0° |
| N20 | C18 | C19 | H193 | 145.7° | 60.0° |
| N20 | C21 | O28 | C22 | 177.7° | 180.0° |
| N20 | C21 | C22 | C27 | 126.9° | 90.0° |
| N20 | C21 | C22 | C23 | 54.7° | 89.7° |
| C21 | N20 | C18 | H18 | 101.4° | 35.0° |
| O28 | C21 | C22 | C27 | 55.6° | 90.0° |
| O28 | C21 | C22 | C23 | 122.8° | 90.2° |
| O28 | C21 | N20 | H20 | 142.6° | 180.0° |
| C21 | C22 | C27 | C23 | 178.4° | 179.7° |
| C21 | C22 | C27 | F30 | 1.0° | 0.0° |
| C21 | C22 | C27 | C26 | 179.5° | 180.0° |
| C21 | C22 | C23 | F29 | 1.0° | 0.0° |
| C21 | C22 | C23 | C24 | 179.4° | 180.0° |
| C22 | C21 | N20 | H20 | 34.9° | 0.0° |
| C22 | C27 | F30 | C26 | 179.5° | 180.0° |
| C27 | C22 | C23 | F29 | 179.5° | 179.7° |
| C27 | C22 | C23 | C24 | 1.0° | 0.2° |
| C22 | C27 | C26 | C25 | 0.6° | 0.1° |
| C22 | C27 | C26 | H26 | 179.4° | 180.0° |
| C23 | C22 | C27 | F30 | 179.4° | 179.7° |
| C23 | C22 | C27 | C26 | 1.0° | 0.3° |
| C22 | C23 | F29 | C24 | 179.6° | 180.0° |
| C22 | C23 | C24 | C25 | 0.5° | 0.0° |
| C22 | C23 | C24 | H24 | 179.5° | 179.9° |
| F30 | C27 | C26 | C25 | 179.8° | 179.9° |
| F30 | C27 | C26 | H26 | 0.2° | 0.0° |
| C27 | C26 | C25 | C24 | 0.1° | 0.2° |
| C27 | C26 | C25 | H26 | 180.0° | 179.9° |
| C27 | C26 | C25 | H25 | 179.9° | 179.9° |
| F29 | C23 | C24 | C25 | 179.9° | 180.0° |
| F29 | C23 | C24 | H24 | 0.1° | 0.0° |
| C23 | C24 | C25 | H24 | 180.0° | 179.9° |
| C23 | C24 | C25 | C26 | 0.1° | 0.2° |
| C23 | C24 | C25 | H25 | 179.9° | 180.0° |
| C24 | C25 | C26 | H25 | 180.0° | 179.8° |
| C24 | C25 | C26 | H26 | 179.9° | 179.8° |
| C26 | C25 | C24 | H24 | 179.9° | 179.7° |
| H7 | C7 | C8 | H8 | 0.1° | 0.0° |
| H5 | C5 | C4 | H4 | 0.3° | 0.0° |
| H11C | C1 | C10 | H101 | 103.4° | 180.0° |
| H11C | C1 | C10 | H102 | 16.3° | 60.0° |
| H12C | C1 | C10 | H101 | 137.2° | 60.0° |
| H12C | C1 | C10 | H102 | 103.1° | NaN° |
| H171 | C17 | H172 | H173 | 119.9° | 120.0° |
| H18 | C18 | C19 | H191 | 77.9° | 179.9° |
| H18 | C18 | C19 | H192 | 162.1° | 60.1° |
| H18 | C18 | C19 | H193 | 42.1° | 60.0° |
| H18 | C18 | N20 | H20 | 78.6° | 145.0° |
| H191 | C19 | H192 | H193 | 120.0° | 120.0° |
| H26 | C26 | C25 | H25 | 0.1° | 0.0° |
| H24 | C24 | C25 | H25 | 0.1° | 0.0° |
