ZWE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F2 | C7 | sing | 1.35Å | 1.36Å | |
| C7 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C6 | sing | 1.39Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.40Å | 1.39Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
| C9 | C2 | sing | 1.47Å | 1.46Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.37Å | Aromatic |
| C5 | F1 | sing | 1.35Å | 1.35Å | |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C4 | O1 | sing | 1.35Å | 1.33Å | Aromatic |
| C2 | C3 | doub | 1.34Å | 1.34Å | Aromatic |
| O1 | C3 | sing | 1.34Å | 1.33Å | Aromatic |
| C3 | C10 | sing | 1.51Å | 1.50Å | |
| C10 | N1 | sing | 1.47Å | 1.46Å | |
| C10 | C16 | sing | 1.53Å | 1.54Å | |
| C13 | N3 | doub | 1.32Å | 1.32Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| N1 | C11 | sing | 1.35Å | 1.35Å | |
| N3 | C14 | sing | 1.32Å | 1.32Å | Aromatic |
| F4 | C16 | sing | 1.40Å | 1.41Å | |
| C11 | O2 | doub | 1.22Å | 1.21Å | |
| C11 | N2 | sing | 1.35Å | 1.35Å | |
| N2 | C12 | sing | 1.40Å | 1.40Å | |
| C16 | F3 | sing | 1.40Å | 1.39Å | |
| C16 | F5 | sing | 1.40Å | 1.39Å | |
| C12 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | N4 | sing | 1.39Å | 1.38Å | |
| C14 | N5 | doub | 1.32Å | 1.33Å | Aromatic |
| C15 | N5 | sing | 1.32Å | 1.33Å | Aromatic |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H2 | sing | 1.08Å | 1.08Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.08Å | 1.08Å | |
| N1 | H5 | sing | 0.97Å | 1.00Å | |
| N2 | H6 | sing | 0.97Å | 1.00Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| N4 | H10 | sing | 0.97Å | 1.00Å | |
| N4 | H11 | sing | 0.97Å | 1.00Å | |
| C15 | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F2 | C7 | C8 | 120.2° | 119.9° |
| F2 | C7 | C6 | 120.2° | 119.9° |
| C8 | C7 | C6 | 119.6° | 120.3° |
| C7 | C8 | C9 | 119.7° | 119.6° |
| C7 | C8 | H2 | 120.2° | 120.2° |
| C7 | C6 | C5 | 120.8° | 120.6° |
| C7 | C6 | H1 | 119.6° | 119.7° |
| C8 | C9 | C4 | 119.9° | 120.2° |
| C8 | C9 | C2 | 135.1° | 134.3° |
| C9 | C8 | H2 | 120.2° | 120.2° |
| C6 | C5 | C4 | 119.9° | 120.0° |
| C6 | C5 | F1 | 122.1° | 120.0° |
| C5 | C6 | H1 | 119.6° | 119.7° |
| C4 | C9 | C2 | 105.0° | 105.5° |
| C9 | C4 | C5 | 120.2° | 119.3° |
| C9 | C4 | O1 | 107.6° | 107.3° |
| C9 | C2 | C1 | 125.2° | 126.9° |
| C9 | C2 | C3 | 106.5° | 106.2° |
| C4 | C5 | F1 | 118.1° | 120.0° |
| C5 | C4 | O1 | 132.3° | 133.4° |
| C1 | C2 | C3 | 128.3° | 126.9° |
| C2 | C1 | H7 | 109.5° | 109.5° |
| C2 | C1 | H8 | 109.5° | 109.5° |
| C2 | C1 | H9 | 109.5° | 109.4° |
| C4 | O1 | C3 | 111.7° | 110.9° |
| C2 | C3 | O1 | 109.2° | 110.1° |
| C2 | C3 | C10 | 129.0° | 124.9° |
| O1 | C3 | C10 | 121.7° | 124.9° |
| C3 | C10 | N1 | 104.5° | 109.5° |
| C3 | C10 | C16 | 108.7° | 109.5° |
| C3 | C10 | H3 | 110.9° | 109.5° |
| N1 | C10 | C16 | 110.9° | 109.5° |
| C10 | N1 | C11 | 123.8° | 120.0° |
| N1 | C10 | H3 | 111.5° | 109.5° |
| C10 | N1 | H5 | 118.1° | 120.0° |
| C10 | C16 | F4 | 111.8° | 109.5° |
| C10 | C16 | F3 | 111.8° | 109.5° |
| C10 | C16 | F5 | 107.2° | 109.5° |
| C16 | C10 | H3 | 110.3° | 109.5° |
| N3 | C13 | C12 | 120.3° | 119.1° |
| C13 | N3 | C14 | 119.6° | 120.8° |
| N3 | C13 | H4 | 119.9° | 120.5° |
| C13 | C12 | N2 | 116.0° | 120.8° |
| C13 | C12 | C15 | 118.1° | 118.4° |
| C12 | C13 | H4 | 119.8° | 120.4° |
| N1 | C11 | O2 | 121.2° | 120.0° |
| N1 | C11 | N2 | 118.5° | 120.0° |
| C11 | N1 | H5 | 118.1° | 120.0° |
| N3 | C14 | N4 | 117.3° | 119.1° |
| N3 | C14 | N5 | 122.7° | 121.8° |
| F4 | C16 | F3 | 107.5° | 109.5° |
| F4 | C16 | F5 | 113.1° | 109.4° |
| O2 | C11 | N2 | 120.3° | 120.0° |
| C11 | N2 | C12 | 123.8° | 120.0° |
| C11 | N2 | H6 | 118.1° | 120.0° |
| N2 | C12 | C15 | 125.9° | 120.8° |
| C12 | N2 | H6 | 118.1° | 120.0° |
| F3 | C16 | F5 | 105.3° | 109.5° |
| C12 | C15 | N5 | 118.8° | 119.1° |
| C12 | C15 | H12 | 120.6° | 120.4° |
| N4 | C14 | N5 | 120.0° | 119.1° |
| C14 | N4 | H10 | 109.5° | 120.0° |
| C14 | N4 | H11 | 109.5° | 120.0° |
| C14 | N5 | C15 | 120.5° | 120.8° |
| N5 | C15 | H12 | 120.6° | 120.5° |
| H7 | C1 | H8 | 109.5° | 109.5° |
| H7 | C1 | H9 | 109.5° | 109.5° |
| H8 | C1 | H9 | 109.5° | 109.5° |
| H10 | N4 | H11 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F2 | C7 | C8 | C6 | 179.2° | 179.7° |
| F2 | C7 | C8 | C9 | 179.6° | 180.0° |
| F2 | C7 | C6 | C5 | 179.5° | 179.7° |
| F2 | C7 | C6 | H1 | 0.5° | 0.3° |
| F2 | C7 | C8 | H2 | 0.4° | 0.4° |
| C7 | C8 | C9 | H2 | 180.0° | 179.6° |
| C8 | C7 | C6 | C5 | 1.4° | 0.0° |
| C7 | C8 | C9 | C4 | 0.4° | 0.6° |
| C7 | C8 | C9 | C2 | 179.8° | 180.0° |
| C8 | C7 | C6 | H1 | 178.6° | 180.0° |
| C6 | C7 | C8 | C9 | 1.3° | 0.3° |
| C7 | C6 | C5 | H1 | 180.0° | 180.0° |
| C7 | C6 | C5 | C4 | 0.6° | 0.0° |
| C7 | C6 | C5 | F1 | 179.7° | 180.0° |
| C6 | C7 | C8 | H2 | 178.7° | 179.9° |
| C8 | C9 | C4 | C2 | 179.8° | 179.6° |
| C8 | C9 | C4 | C5 | 0.4° | 0.6° |
| C8 | C9 | C2 | C1 | 0.1° | 0.0° |
| C8 | C9 | C4 | O1 | 179.9° | 179.6° |
| C8 | C9 | C2 | C3 | 179.9° | 180.0° |
| C6 | C5 | C4 | C9 | 0.3° | 0.3° |
| C6 | C5 | C4 | F1 | 179.2° | 180.0° |
| C6 | C5 | C4 | O1 | 179.7° | 180.0° |
| C9 | C4 | C5 | O1 | 179.4° | 179.7° |
| C9 | C4 | C5 | F1 | 178.9° | 179.7° |
| C4 | C9 | C2 | C1 | 179.9° | 179.4° |
| C4 | C9 | C2 | C3 | 0.3° | 0.6° |
| C9 | C4 | O1 | C3 | 0.2° | 0.5° |
| C4 | C9 | C8 | H2 | 179.6° | 179.8° |
| C2 | C9 | C4 | C5 | 179.4° | 179.8° |
| C9 | C2 | C1 | C3 | 179.7° | 180.0° |
| C2 | C9 | C4 | O1 | 0.1° | 0.0° |
| C9 | C2 | C3 | O1 | 0.5° | 0.9° |
| C9 | C2 | C3 | C10 | 179.7° | 180.0° |
| C2 | C9 | C8 | H2 | 0.2° | 0.4° |
| C9 | C2 | C1 | H7 | 90.1° | 90.0° |
| C9 | C2 | C1 | H8 | 149.9° | 150.0° |
| C9 | C2 | C1 | H9 | 29.9° | 30.0° |
| C5 | C4 | O1 | C3 | 179.7° | 179.2° |
| C4 | C5 | C6 | H1 | 179.4° | 180.0° |
| F1 | C5 | C4 | O1 | 0.5° | 0.0° |
| F1 | C5 | C6 | H1 | 0.3° | 0.0° |
| C1 | C2 | C3 | O1 | 179.7° | 179.1° |
| C1 | C2 | C3 | C10 | 0.1° | 0.0° |
| C2 | C1 | H7 | H8 | 120.0° | 120.1° |
| C2 | C1 | H7 | H9 | 120.0° | 119.9° |
| C2 | C1 | H8 | H9 | 120.0° | 120.0° |
| C4 | O1 | C3 | C2 | 0.5° | 0.9° |
| C4 | O1 | C3 | C10 | 179.7° | 180.0° |
| C2 | C3 | O1 | C10 | 179.8° | 179.1° |
| C2 | C3 | C10 | N1 | 114.5° | 135.0° |
| C2 | C3 | C10 | C16 | 127.2° | 105.0° |
| C2 | C3 | C10 | H3 | 5.8° | 15.0° |
| C3 | C2 | C1 | H7 | 90.1° | 90.0° |
| C3 | C2 | C1 | H8 | 29.9° | 30.0° |
| C3 | C2 | C1 | H9 | 149.9° | 150.0° |
| O1 | C3 | C10 | N1 | 65.3° | 44.0° |
| O1 | C3 | C10 | C16 | 53.1° | 76.0° |
| O1 | C3 | C10 | H3 | 174.5° | 164.0° |
| C3 | C10 | N1 | C16 | 116.9° | 120.0° |
| C3 | C10 | N1 | H3 | 119.8° | 120.0° |
| C3 | C10 | C16 | H3 | 121.7° | 120.0° |
| C3 | C10 | N1 | C11 | 120.9° | 155.0° |
| C3 | C10 | C16 | F4 | 62.0° | 60.0° |
| C3 | C10 | C16 | F3 | 58.6° | 60.0° |
| C3 | C10 | C16 | F5 | 173.5° | 180.0° |
| C3 | C10 | N1 | H5 | 59.0° | 25.0° |
| N1 | C10 | C16 | H3 | 124.0° | 120.0° |
| C10 | N1 | C11 | H5 | 180.0° | 179.9° |
| N1 | C10 | C16 | F4 | 176.3° | 179.9° |
| C10 | N1 | C11 | O2 | 3.2° | 0.0° |
| C10 | N1 | C11 | N2 | 177.9° | 180.0° |
| N1 | C10 | C16 | F3 | 55.7° | 60.0° |
| N1 | C10 | C16 | F5 | 59.2° | 60.0° |
| C16 | C10 | N1 | C11 | 122.2° | 85.0° |
| C10 | C16 | F4 | F3 | 123.1° | 120.0° |
| C10 | C16 | F4 | F5 | 121.1° | 120.0° |
| C10 | C16 | F3 | F5 | 116.1° | 120.0° |
| C16 | C10 | N1 | H5 | 57.8° | 95.0° |
| N3 | C13 | C12 | H4 | 180.0° | 180.0° |
| N3 | C13 | C12 | N2 | 179.9° | 180.0° |
| N3 | C13 | C12 | C15 | 0.7° | 0.2° |
| C13 | N3 | C14 | N4 | 179.8° | 180.0° |
| C13 | N3 | C14 | N5 | 0.3° | 0.3° |
| C12 | C13 | N3 | C14 | 0.6° | 0.0° |
| C13 | C12 | N2 | C11 | 117.7° | 35.1° |
| C13 | C12 | N2 | C15 | 179.3° | 179.8° |
| C13 | C12 | C15 | N5 | 0.4° | 0.2° |
| C13 | C12 | N2 | H6 | 62.2° | 144.9° |
| C13 | C12 | C15 | H12 | 179.6° | 180.0° |
| N1 | C11 | O2 | N2 | 179.0° | 180.0° |
| N1 | C11 | N2 | C12 | 176.1° | 175.3° |
| C11 | N1 | C10 | H3 | 1.2° | 35.0° |
| N1 | C11 | N2 | H6 | 3.9° | 4.7° |
| N3 | C14 | N4 | N5 | 179.8° | 179.7° |
| N3 | C14 | N5 | C15 | 0.1° | 0.3° |
| C14 | N3 | C13 | H4 | 179.4° | 180.0° |
| N3 | C14 | N4 | H10 | 0.0° | 179.7° |
| N3 | C14 | N4 | H11 | 120.0° | 0.3° |
| F4 | C16 | F3 | F5 | 120.9° | 120.0° |
| F4 | C16 | C10 | H3 | 59.7° | 60.0° |
| O2 | C11 | N2 | C12 | 4.9° | 4.7° |
| O2 | C11 | N1 | H5 | 176.9° | 180.0° |
| O2 | C11 | N2 | H6 | 175.1° | 175.3° |
| C11 | N2 | C12 | H6 | 180.0° | 180.0° |
| C11 | N2 | C12 | C15 | 61.6° | 145.1° |
| N2 | C11 | N1 | H5 | 2.1° | 0.0° |
| N2 | C12 | C15 | N5 | 179.8° | 180.0° |
| N2 | C12 | C13 | H4 | 0.1° | 0.0° |
| N2 | C12 | C15 | H12 | 0.3° | 0.2° |
| F3 | C16 | C10 | H3 | 179.7° | 180.0° |
| F5 | C16 | C10 | H3 | 64.8° | 60.0° |
| C12 | C15 | N5 | C14 | 0.2° | 0.0° |
| C12 | C15 | N5 | H12 | 180.0° | 179.8° |
| C15 | C12 | C13 | H4 | 179.3° | 179.8° |
| C15 | C12 | N2 | H6 | 118.4° | 34.9° |
| N4 | C14 | N5 | C15 | 179.9° | 180.0° |
| C14 | N4 | H10 | H11 | 120.0° | 180.0° |
| N5 | C14 | N4 | H10 | 179.8° | 0.0° |
| N5 | C14 | N4 | H11 | 59.9° | 180.0° |
| C14 | N5 | C15 | H12 | 179.9° | 179.7° |
| H3 | C10 | N1 | H5 | 178.8° | 145.0° |
| H7 | C1 | H8 | H9 | 120.0° | 120.0° |
