ZNG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F3 | C20 | sing | 1.35Å | 1.34Å | |
| C19 | C20 | doub | 1.39Å | 1.38Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.51Å | 1.51Å | |
| C12 | N2 | sing | 1.46Å | 1.46Å | |
| C13 | C14 | doub | 1.39Å | 1.41Å | Aromatic |
| C18 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| N2 | C11 | sing | 1.37Å | 1.35Å | |
| C17 | C14 | sing | 1.40Å | 1.39Å | Aromatic |
| C17 | O1 | sing | 1.35Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.47Å | 1.51Å | Aromatic |
| C23 | N4 | doub | 1.30Å | 1.32Å | Aromatic |
| C23 | N3 | sing | 1.35Å | 1.36Å | Aromatic |
| C11 | N3 | sing | 1.37Å | 1.37Å | Aromatic |
| C11 | N1 | doub | 1.32Å | 1.32Å | Aromatic |
| N4 | C22 | sing | 1.36Å | 1.39Å | Aromatic |
| N3 | C21 | sing | 1.39Å | 1.40Å | Aromatic |
| O1 | C16 | sing | 1.34Å | 1.45Å | Aromatic |
| C15 | C16 | doub | 1.34Å | 1.50Å | Aromatic |
| N1 | C10 | sing | 1.33Å | 1.36Å | Aromatic |
| C22 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C | sing | 1.46Å | 1.52Å | |
| C21 | C9 | sing | 1.41Å | 1.44Å | Aromatic |
| O | C | doub | 1.22Å | 1.23Å | |
| C10 | C9 | doub | 1.39Å | 1.37Å | Aromatic |
| C | N | sing | 1.36Å | 1.35Å | |
| C9 | C8 | sing | 1.48Å | 1.49Å | |
| N | C1 | sing | 1.46Å | 1.48Å | |
| C8 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
| C8 | C2 | sing | 1.39Å | 1.41Å | Aromatic |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C7 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.51Å | 1.50Å | |
| C5 | F | sing | 1.40Å | 1.32Å | |
| C5 | F1 | sing | 1.40Å | 1.33Å | |
| C5 | F2 | sing | 1.40Å | 1.32Å | |
| C19 | H1 | sing | 1.08Å | 1.08Å | |
| C18 | H2 | sing | 1.08Å | 1.08Å | |
| C16 | H3 | sing | 1.08Å | 1.08Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| N2 | H7 | sing | 0.97Å | 1.00Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| C23 | H9 | sing | 1.08Å | 1.08Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| N | H12 | sing | 0.97Å | 1.00Å | |
| C7 | H13 | sing | 1.08Å | 1.08Å | |
| C6 | H14 | sing | 1.08Å | 1.08Å | |
| C3 | H15 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F3 | C20 | C19 | 118.5° | 119.9° |
| F3 | C20 | C13 | 117.4° | 119.9° |
| C20 | C19 | C18 | 119.1° | 120.6° |
| C19 | C20 | C13 | 124.1° | 120.2° |
| C20 | C19 | H1 | 120.5° | 119.7° |
| C19 | C18 | C17 | 118.3° | 120.0° |
| C18 | C19 | H1 | 120.5° | 119.7° |
| C19 | C18 | H2 | 120.8° | 120.0° |
| C20 | C13 | C12 | 123.6° | 120.2° |
| C20 | C13 | C14 | 116.5° | 119.6° |
| C13 | C12 | N2 | 111.2° | 109.5° |
| C12 | C13 | C14 | 119.9° | 120.2° |
| C13 | C12 | H5 | 109.0° | 109.5° |
| C13 | C12 | H6 | 109.0° | 109.5° |
| C12 | N2 | C11 | 122.7° | 120.0° |
| N2 | C12 | H5 | 109.0° | 109.5° |
| N2 | C12 | H6 | 109.0° | 109.5° |
| C12 | N2 | H7 | 106.1° | 120.0° |
| C13 | C14 | C17 | 119.8° | 120.2° |
| C13 | C14 | C15 | 131.5° | 134.3° |
| C18 | C17 | C14 | 122.2° | 119.4° |
| C18 | C17 | O1 | 126.0° | 133.4° |
| C17 | C18 | H2 | 120.8° | 120.0° |
| N2 | C11 | N3 | 119.6° | 120.6° |
| N2 | C11 | N1 | 119.0° | 120.5° |
| C11 | N2 | H7 | 106.0° | 119.9° |
| C14 | C17 | O1 | 111.8° | 107.2° |
| C17 | C14 | C15 | 108.7° | 105.5° |
| C17 | O1 | C16 | 108.2° | 110.9° |
| C14 | C15 | C16 | 102.8° | 106.2° |
| C14 | C15 | H4 | 128.6° | 127.0° |
| N4 | C23 | N3 | 112.0° | 109.5° |
| C23 | N4 | C22 | 105.8° | 109.8° |
| N4 | C23 | H9 | 124.0° | 125.3° |
| C23 | N3 | C11 | 132.3° | 131.3° |
| C23 | N3 | C21 | 106.9° | 107.6° |
| N3 | C23 | H9 | 124.0° | 125.3° |
| N3 | C11 | N1 | 121.3° | 118.9° |
| C11 | N3 | C21 | 120.7° | 121.1° |
| C11 | N1 | C10 | 120.3° | 123.1° |
| N4 | C22 | C21 | 110.2° | 107.5° |
| N4 | C22 | C | 115.6° | 124.2° |
| N3 | C21 | C22 | 105.0° | 105.6° |
| N3 | C21 | C9 | 117.8° | 118.2° |
| O1 | C16 | C15 | 107.8° | 110.1° |
| O1 | C16 | H3 | 126.1° | 124.9° |
| C15 | C16 | H3 | 126.1° | 125.0° |
| C16 | C15 | H4 | 128.6° | 126.9° |
| N1 | C10 | C9 | 122.8° | 121.2° |
| N1 | C10 | H8 | 118.6° | 119.4° |
| C21 | C22 | C | 134.1° | 128.3° |
| C22 | C21 | C9 | 137.2° | 136.1° |
| C22 | C | O | 117.1° | 120.3° |
| C22 | C | N | 121.2° | 119.3° |
| C21 | C9 | C10 | 116.9° | 117.4° |
| C21 | C9 | C8 | 124.3° | 122.2° |
| O | C | N | 121.6° | 120.3° |
| C10 | C9 | C8 | 118.6° | 120.4° |
| C9 | C10 | H8 | 118.6° | 119.4° |
| C | N | C1 | 128.7° | 117.7° |
| C | N | H12 | 115.7° | 121.1° |
| C9 | C8 | C7 | 115.9° | 120.8° |
| C9 | C8 | C2 | 124.6° | 118.8° |
| N | C1 | C2 | 105.6° | 106.5° |
| N | C1 | H10 | 110.5° | 109.8° |
| N | C1 | H11 | 110.5° | 110.2° |
| C1 | N | H12 | 115.6° | 121.2° |
| C7 | C8 | C2 | 119.4° | 120.4° |
| C8 | C7 | C6 | 120.6° | 119.6° |
| C8 | C7 | H13 | 119.7° | 120.2° |
| C8 | C2 | C1 | 122.6° | 121.1° |
| C8 | C2 | C3 | 118.6° | 119.4° |
| C1 | C2 | C3 | 118.8° | 119.4° |
| C2 | C1 | H10 | 110.4° | 110.1° |
| C2 | C1 | H11 | 110.4° | 110.1° |
| C7 | C6 | C4 | 120.5° | 120.0° |
| C6 | C7 | H13 | 119.7° | 120.2° |
| C7 | C6 | H14 | 119.8° | 120.0° |
| C2 | C3 | C4 | 122.2° | 120.1° |
| C2 | C3 | H15 | 118.9° | 120.0° |
| C6 | C4 | C3 | 118.7° | 120.5° |
| C6 | C4 | C5 | 121.1° | 119.7° |
| C4 | C6 | H14 | 119.7° | 120.0° |
| C3 | C4 | C5 | 119.8° | 119.8° |
| C4 | C3 | H15 | 118.9° | 120.0° |
| C4 | C5 | F | 113.7° | 109.5° |
| C4 | C5 | F1 | 112.9° | 109.5° |
| C4 | C5 | F2 | 112.2° | 109.4° |
| F | C5 | F1 | 105.8° | 109.5° |
| F | C5 | F2 | 104.5° | 109.5° |
| F1 | C5 | F2 | 107.2° | 109.5° |
| H5 | C12 | H6 | 109.5° | 109.5° |
| H10 | C1 | H11 | 109.5° | 110.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F3 | C20 | C19 | C13 | 179.9° | 179.7° |
| F3 | C20 | C19 | C18 | 179.8° | 180.0° |
| F3 | C20 | C13 | C12 | 2.8° | 0.0° |
| F3 | C20 | C13 | C14 | 178.5° | 179.7° |
| F3 | C20 | C19 | H1 | 0.3° | 0.0° |
| C20 | C19 | C18 | H1 | 180.0° | 180.0° |
| C19 | C20 | C13 | C12 | 177.1° | 179.8° |
| C19 | C20 | C13 | C14 | 1.6° | 0.5° |
| C20 | C19 | C18 | C17 | 1.3° | 0.0° |
| C20 | C19 | C18 | H2 | 178.6° | 180.0° |
| C18 | C19 | C20 | C13 | 0.3° | 0.3° |
| C19 | C18 | C17 | H2 | 180.0° | 180.0° |
| C19 | C18 | C17 | C14 | 1.7° | 0.0° |
| C19 | C18 | C17 | O1 | 177.7° | 180.0° |
| C20 | C13 | C12 | C14 | 178.6° | 179.7° |
| C20 | C13 | C12 | N2 | 66.0° | 90.0° |
| C20 | C13 | C14 | C17 | 1.2° | 0.5° |
| C20 | C13 | C14 | C15 | 177.0° | 179.8° |
| C13 | C20 | C19 | H1 | 179.7° | 179.7° |
| C20 | C13 | C12 | H5 | 173.7° | 150.0° |
| C20 | C13 | C12 | H6 | 54.3° | 30.0° |
| C13 | C12 | N2 | H5 | 120.3° | 120.0° |
| C13 | C12 | N2 | H6 | 120.3° | 120.0° |
| C13 | C12 | N2 | C11 | 81.2° | 180.0° |
| C12 | C13 | C14 | C17 | 177.5° | 179.8° |
| C12 | C13 | C14 | C15 | 4.3° | 0.1° |
| C13 | C12 | H5 | H6 | 119.2° | 120.0° |
| C13 | C12 | N2 | H7 | 157.0° | 0.0° |
| N2 | C12 | C13 | C14 | 115.4° | 89.7° |
| C12 | N2 | C11 | H7 | 121.9° | 180.0° |
| C12 | N2 | C11 | N3 | 178.6° | 180.0° |
| C12 | N2 | C11 | N1 | 2.3° | 0.3° |
| N2 | C12 | H5 | H6 | 119.2° | 120.0° |
| C13 | C14 | C17 | C18 | 0.4° | 0.2° |
| C13 | C14 | C17 | C15 | 178.5° | 179.8° |
| C13 | C14 | C17 | O1 | 179.0° | 179.7° |
| C13 | C14 | C15 | C16 | 173.9° | 179.7° |
| C13 | C14 | C15 | H4 | 6.1° | 0.3° |
| C14 | C13 | C12 | H5 | 4.9° | 30.3° |
| C14 | C13 | C12 | H6 | 124.3° | 150.3° |
| C18 | C17 | C14 | O1 | 179.5° | 180.0° |
| C18 | C17 | C14 | C15 | 179.0° | 180.0° |
| C18 | C17 | O1 | C16 | 174.0° | 180.0° |
| C17 | C18 | C19 | H1 | 178.7° | 180.0° |
| N2 | C11 | N3 | C23 | 1.5° | 3.0° |
| N2 | C11 | N3 | N1 | 179.0° | 179.7° |
| N2 | C11 | N3 | C21 | 179.7° | 178.4° |
| N2 | C11 | N1 | C10 | 177.8° | 177.8° |
| C11 | N2 | C12 | H5 | 39.1° | 60.0° |
| C11 | N2 | C12 | H6 | 158.5° | 60.0° |
| C14 | C17 | O1 | C16 | 5.5° | 0.1° |
| C17 | C14 | C15 | C16 | 4.4° | 0.0° |
| C14 | C17 | C18 | H2 | 178.3° | 180.0° |
| C17 | C14 | C15 | H4 | 175.6° | 179.9° |
| O1 | C17 | C14 | C15 | 0.5° | 0.0° |
| C17 | O1 | C16 | C15 | 8.2° | 0.0° |
| O1 | C17 | C18 | H2 | 2.4° | 0.0° |
| C17 | O1 | C16 | H3 | 171.8° | 180.0° |
| C14 | C15 | C16 | O1 | 7.5° | 0.0° |
| C14 | C15 | C16 | H4 | 180.0° | 180.0° |
| C14 | C15 | C16 | H3 | 172.5° | 180.0° |
| N4 | C23 | N3 | H9 | 180.0° | 180.0° |
| N4 | C23 | N3 | C11 | 178.2° | 176.6° |
| N4 | C23 | N3 | C21 | 0.7° | 2.2° |
| C23 | N4 | C22 | C21 | 2.2° | 0.5° |
| C23 | N4 | C22 | C | 174.2° | 179.4° |
| C23 | N3 | C11 | C21 | 178.8° | 178.6° |
| C23 | N3 | C11 | N1 | 179.4° | 176.7° |
| N3 | C23 | N4 | C22 | 0.9° | 1.1° |
| C23 | N3 | C21 | C22 | 2.0° | 2.5° |
| C23 | N3 | C21 | C9 | 178.4° | 179.8° |
| N3 | C11 | N1 | C10 | 1.2° | 2.5° |
| C11 | N3 | C21 | C22 | 177.1° | 176.5° |
| C11 | N3 | C21 | C9 | 2.5° | 1.3° |
| N3 | C11 | N2 | H7 | 56.8° | 0.0° |
| C11 | N3 | C23 | H9 | 1.8° | 3.4° |
| N1 | C11 | N3 | C21 | 0.6° | 2.0° |
| C11 | N1 | C10 | C9 | 1.1° | 0.3° |
| N1 | C11 | N2 | H7 | 124.2° | 179.7° |
| C11 | N1 | C10 | H8 | 178.9° | 179.7° |
| N4 | C22 | C21 | N3 | 2.6° | 1.8° |
| N4 | C22 | C21 | C | 175.5° | 180.0° |
| N4 | C22 | C21 | C9 | 177.9° | 178.9° |
| N4 | C22 | C | O | 30.1° | 61.2° |
| N4 | C22 | C | N | 145.5° | 118.6° |
| C22 | N4 | C23 | H9 | 179.1° | 179.0° |
| N3 | C21 | C22 | C9 | 179.5° | 177.1° |
| N3 | C21 | C22 | C | 172.9° | 178.1° |
| N3 | C21 | C9 | C10 | 2.6° | 3.9° |
| N3 | C21 | C9 | C8 | 173.4° | 173.2° |
| C21 | N3 | C23 | H9 | 179.3° | 177.8° |
| O1 | C16 | C15 | H3 | 180.0° | 180.0° |
| O1 | C16 | C15 | H4 | 172.5° | 180.0° |
| N1 | C10 | C9 | C21 | 0.8° | 3.5° |
| N1 | C10 | C9 | H8 | 180.0° | 179.9° |
| N1 | C10 | C9 | C8 | 175.4° | 173.6° |
| C21 | C22 | C | O | 154.6° | 118.8° |
| C22 | C21 | C9 | C10 | 176.9° | 173.0° |
| C21 | C22 | C | N | 29.8° | 61.3° |
| C22 | C21 | C9 | C8 | 7.2° | 10.0° |
| C | C22 | C21 | C9 | 6.6° | 1.0° |
| C22 | C | O | N | 175.6° | 179.9° |
| C22 | C | N | C1 | 2.3° | 33.1° |
| C22 | C | N | H12 | 177.7° | 147.1° |
| C21 | C9 | C10 | C8 | 176.2° | 177.1° |
| C21 | C9 | C8 | C7 | 132.6° | 121.9° |
| C21 | C9 | C8 | C2 | 51.7° | 58.8° |
| C21 | C9 | C10 | H8 | 179.2° | 176.4° |
| O | C | N | C1 | 173.1° | 147.1° |
| O | C | N | H12 | 6.9° | 32.8° |
| C10 | C9 | C8 | C7 | 43.3° | 55.0° |
| C10 | C9 | C8 | C2 | 132.4° | 124.3° |
| C | N | C1 | H12 | 180.0° | 179.9° |
| C | N | C1 | C2 | 85.4° | 71.0° |
| C | N | C1 | H10 | 34.0° | 169.8° |
| C | N | C1 | H11 | 155.3° | 48.4° |
| C9 | C8 | C7 | C2 | 175.9° | 179.3° |
| C9 | C8 | C2 | C1 | 5.8° | 10.8° |
| C9 | C8 | C7 | C6 | 173.6° | 176.4° |
| C9 | C8 | C2 | C3 | 173.7° | 174.4° |
| C8 | C9 | C10 | H8 | 4.6° | 6.4° |
| C9 | C8 | C7 | H13 | 6.4° | 3.8° |
| N | C1 | C2 | C8 | 86.6° | 93.5° |
| N | C1 | C2 | H10 | 119.4° | 119.0° |
| N | C1 | C2 | H11 | 119.4° | 119.4° |
| N | C1 | C2 | C3 | 93.9° | 81.2° |
| N | C1 | H10 | H11 | 121.8° | 121.5° |
| C7 | C8 | C2 | C1 | 178.7° | 169.9° |
| C8 | C7 | C6 | H13 | 180.0° | 179.9° |
| C7 | C8 | C2 | C3 | 1.9° | 4.9° |
| C8 | C7 | C6 | C4 | 0.5° | 0.4° |
| C8 | C7 | C6 | H14 | 179.5° | 179.6° |
| C8 | C2 | C1 | C3 | 179.5° | 174.8° |
| C2 | C8 | C7 | C6 | 2.3° | 2.9° |
| C8 | C2 | C3 | C4 | 0.4° | 3.5° |
| C8 | C2 | C1 | H10 | 32.8° | 147.5° |
| C8 | C2 | C1 | H11 | 154.0° | 25.9° |
| C2 | C8 | C7 | H13 | 177.7° | 176.9° |
| C8 | C2 | C3 | H15 | 179.7° | 176.4° |
| C1 | C2 | C3 | C4 | 179.2° | 171.4° |
| C2 | C1 | H10 | H11 | 121.7° | 121.6° |
| C2 | C1 | N | H12 | 94.6° | 108.8° |
| C1 | C2 | C3 | H15 | 0.8° | 8.7° |
| C7 | C6 | C4 | H14 | 180.0° | 180.0° |
| C7 | C6 | C4 | C3 | 1.7° | 1.8° |
| C7 | C6 | C4 | C5 | 171.8° | 178.1° |
| C2 | C3 | C4 | C6 | 2.1° | 0.2° |
| C2 | C3 | C4 | H15 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 171.5° | 179.9° |
| C3 | C2 | C1 | H10 | 146.7° | 37.8° |
| C3 | C2 | C1 | H11 | 25.5° | 159.3° |
| C6 | C4 | C3 | C5 | 173.6° | 180.0° |
| C6 | C4 | C5 | F | 18.2° | 0.0° |
| C6 | C4 | C5 | F1 | 138.7° | 120.0° |
| C6 | C4 | C5 | F2 | 100.0° | 120.0° |
| C4 | C6 | C7 | H13 | 179.5° | 179.7° |
| C6 | C4 | C3 | H15 | 177.9° | 179.8° |
| C3 | C4 | C5 | F | 168.3° | 180.0° |
| C3 | C4 | C5 | F1 | 47.8° | 60.0° |
| C3 | C4 | C5 | F2 | 73.5° | 60.0° |
| C3 | C4 | C6 | H14 | 178.3° | 178.2° |
| C4 | C5 | F | F1 | 124.4° | 120.0° |
| C4 | C5 | F | F2 | 122.6° | 119.9° |
| C4 | C5 | F1 | F2 | 124.0° | 119.9° |
| C5 | C4 | C6 | H14 | 8.1° | 1.8° |
| C5 | C4 | C3 | H15 | 8.5° | 0.2° |
| F | C5 | F1 | F2 | 111.0° | 120.0° |
| H1 | C19 | C18 | H2 | 1.4° | 0.1° |
| H3 | C16 | C15 | H4 | 7.5° | 0.0° |
| H5 | C12 | N2 | H7 | 82.8° | 120.0° |
| H6 | C12 | N2 | H7 | 36.7° | 120.0° |
| H10 | C1 | N | H12 | 146.0° | 10.4° |
| H11 | C1 | N | H12 | 24.8° | 131.8° |
| H13 | C7 | C6 | H14 | 0.5° | 0.3° |
