6Z2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F | C21 | sing | 1.35Å | 1.35Å | |
| C22 | C21 | doub | 1.38Å | 1.41Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.41Å | Aromatic |
| C23 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | N8 | sing | 1.32Å | 1.36Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | C17 | sing | 1.51Å | 1.50Å | |
| C24 | C17 | sing | 1.53Å | 1.54Å | |
| N8 | C7 | doub | 1.32Å | 1.36Å | Aromatic |
| C11 | C6 | doub | 1.39Å | 1.41Å | Aromatic |
| C17 | N12 | sing | 1.46Å | 1.48Å | |
| C7 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | N5 | sing | 1.40Å | 1.35Å | |
| N12 | C2 | sing | 1.38Å | 1.36Å | |
| N12 | C14 | sing | 1.34Å | 1.36Å | |
| O | C14 | doub | 1.21Å | 1.33Å | |
| N1 | C2 | doub | 1.33Å | 1.36Å | Aromatic |
| N1 | C | sing | 1.32Å | 1.35Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.51Å | 1.41Å | |
| N5 | C | sing | 1.38Å | 1.35Å | |
| C | N | doub | 1.32Å | 1.35Å | Aromatic |
| C3 | C13 | sing | 1.51Å | 1.41Å | |
| C3 | C4 | doub | 1.37Å | 1.41Å | Aromatic |
| C13 | C15 | sing | 1.53Å | 1.52Å | |
| C13 | C16 | sing | 1.53Å | 1.52Å | |
| N | C4 | sing | 1.33Å | 1.36Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| N5 | H4 | sing | 0.97Å | 1.00Å | |
| C9 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.08Å | 1.08Å | |
| C20 | H15 | sing | 1.08Å | 1.08Å | |
| C22 | H16 | sing | 1.08Å | 1.08Å | |
| C23 | H17 | sing | 1.08Å | 1.08Å | |
| C24 | H18 | sing | 1.09Å | 1.10Å | |
| C24 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F | C21 | C22 | 120.0° | 120.0° |
| F | C21 | C20 | 119.6° | 120.0° |
| C21 | C22 | C23 | 119.6° | 120.0° |
| C22 | C21 | C20 | 120.4° | 119.9° |
| C21 | C22 | H16 | 120.2° | 120.0° |
| C22 | C23 | C18 | 120.2° | 120.0° |
| C23 | C22 | H16 | 120.2° | 120.0° |
| C22 | C23 | H17 | 119.9° | 120.0° |
| C21 | C20 | C19 | 119.3° | 120.0° |
| C21 | C20 | H15 | 120.4° | 120.0° |
| C23 | C18 | C19 | 119.6° | 120.0° |
| C23 | C18 | C17 | 123.2° | 120.0° |
| C18 | C23 | H17 | 119.9° | 120.0° |
| C9 | C10 | C11 | 117.2° | 119.2° |
| C10 | C9 | N8 | 123.9° | 120.9° |
| C10 | C9 | H5 | 118.0° | 119.5° |
| C9 | C10 | H6 | 121.4° | 120.4° |
| C10 | C11 | C6 | 122.1° | 118.3° |
| C10 | C11 | H2 | 118.9° | 120.8° |
| C11 | C10 | H6 | 121.4° | 120.4° |
| C9 | N8 | C7 | 116.2° | 121.8° |
| N8 | C9 | H5 | 118.0° | 119.6° |
| C20 | C19 | C18 | 120.9° | 120.0° |
| C20 | C19 | H14 | 119.5° | 120.0° |
| C19 | C20 | H15 | 120.4° | 120.0° |
| C19 | C18 | C17 | 117.2° | 120.0° |
| C18 | C19 | H14 | 119.5° | 119.9° |
| C18 | C17 | C24 | 117.1° | 109.4° |
| C18 | C17 | N12 | 112.8° | 109.5° |
| C18 | C17 | H13 | 103.2° | 109.5° |
| C24 | C17 | N12 | 115.0° | 109.5° |
| C24 | C17 | H13 | 102.8° | 109.5° |
| C17 | C24 | H18 | 109.5° | 109.4° |
| C17 | C24 | H19 | 109.5° | 109.5° |
| C17 | C24 | H20 | 109.5° | 109.4° |
| N8 | C7 | C6 | 125.4° | 120.7° |
| N8 | C7 | H3 | 117.3° | 119.7° |
| C11 | C6 | C7 | 115.1° | 119.0° |
| C11 | C6 | N5 | 126.0° | 120.5° |
| C6 | C11 | H2 | 118.9° | 120.8° |
| C17 | N12 | C2 | 125.5° | 123.8° |
| C17 | N12 | C14 | 125.4° | 123.8° |
| N12 | C17 | H13 | 103.4° | 109.5° |
| C7 | C6 | N5 | 118.8° | 120.5° |
| C6 | C7 | H3 | 117.3° | 119.7° |
| C6 | N5 | C | 134.2° | 120.0° |
| C6 | N5 | H4 | 112.9° | 120.0° |
| C2 | N12 | C14 | 109.1° | 112.4° |
| N12 | C2 | N1 | 128.9° | 131.6° |
| N12 | C2 | C3 | 107.0° | 110.3° |
| N12 | C14 | O | 124.9° | 126.4° |
| N12 | C14 | C13 | 110.3° | 107.2° |
| O | C14 | C13 | 124.8° | 126.4° |
| C2 | N1 | C | 118.6° | 120.7° |
| N1 | C2 | C3 | 124.1° | 118.1° |
| N1 | C | N5 | 115.7° | 119.0° |
| N1 | C | N | 121.6° | 122.0° |
| C2 | C3 | C13 | 110.3° | 106.3° |
| C2 | C3 | C4 | 113.7° | 119.7° |
| C14 | C13 | C3 | 103.2° | 103.9° |
| C14 | C13 | C15 | 110.1° | 110.5° |
| C14 | C13 | C16 | 108.4° | 110.6° |
| N5 | C | N | 122.6° | 119.0° |
| C | N5 | H4 | 112.9° | 120.0° |
| C | N | C4 | 118.6° | 120.6° |
| C13 | C3 | C4 | 136.0° | 134.0° |
| C3 | C13 | C15 | 111.1° | 110.5° |
| C3 | C13 | C16 | 113.8° | 110.5° |
| C3 | C4 | N | 123.4° | 118.9° |
| C3 | C4 | H1 | 118.3° | 120.6° |
| C15 | C13 | C16 | 110.0° | 110.6° |
| C13 | C15 | H7 | 109.5° | 109.5° |
| C13 | C15 | H8 | 109.5° | 109.5° |
| C13 | C15 | H9 | 109.5° | 109.5° |
| C13 | C16 | H10 | 109.5° | 109.5° |
| C13 | C16 | H11 | 109.4° | 109.5° |
| C13 | C16 | H12 | 109.5° | 109.4° |
| N | C4 | H1 | 118.3° | 120.5° |
| H7 | C15 | H8 | 109.4° | 109.5° |
| H7 | C15 | H9 | 109.5° | 109.5° |
| H8 | C15 | H9 | 109.5° | 109.5° |
| H10 | C16 | H11 | 109.5° | 109.5° |
| H10 | C16 | H12 | 109.5° | 109.5° |
| H11 | C16 | H12 | 109.5° | 109.5° |
| H18 | C24 | H19 | 109.4° | 109.5° |
| H18 | C24 | H20 | 109.5° | 109.5° |
| H19 | C24 | H20 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F | C21 | C22 | C20 | 179.2° | 179.9° |
| F | C21 | C22 | C23 | 178.7° | 179.8° |
| F | C21 | C20 | C19 | 178.9° | 180.0° |
| F | C21 | C20 | H15 | 1.1° | 0.1° |
| F | C21 | C22 | H16 | 1.3° | 0.1° |
| C21 | C22 | C23 | H16 | 180.0° | 179.8° |
| C21 | C22 | C23 | C18 | 0.0° | 0.4° |
| C22 | C21 | C20 | C19 | 0.3° | 0.1° |
| C22 | C21 | C20 | H15 | 179.7° | 180.0° |
| C21 | C22 | C23 | H17 | 180.0° | 180.0° |
| C23 | C22 | C21 | C20 | 0.5° | 0.2° |
| C22 | C23 | C18 | H17 | 180.0° | 179.5° |
| C22 | C23 | C18 | C19 | 0.7° | 0.5° |
| C22 | C23 | C18 | C17 | 178.4° | 179.8° |
| C21 | C20 | C19 | H15 | 180.0° | 179.9° |
| C21 | C20 | C19 | C18 | 0.5° | 0.0° |
| C21 | C20 | C19 | H14 | 179.5° | 180.0° |
| C20 | C21 | C22 | H16 | 179.5° | 180.0° |
| C23 | C18 | C19 | C20 | 1.0° | 0.2° |
| C23 | C18 | C19 | C17 | 177.8° | 179.7° |
| C23 | C18 | C17 | C24 | 5.6° | 26.7° |
| C23 | C18 | C17 | N12 | 142.6° | 146.7° |
| C23 | C18 | C17 | H13 | 106.5° | 93.3° |
| C23 | C18 | C19 | H14 | 179.1° | 179.8° |
| C18 | C23 | C22 | H16 | 180.0° | 179.7° |
| C9 | C10 | C11 | H6 | 180.0° | 179.6° |
| C10 | C9 | N8 | H5 | 180.0° | 179.7° |
| C10 | C9 | N8 | C7 | 0.9° | 0.3° |
| C9 | C10 | C11 | C6 | 0.1° | 0.1° |
| C9 | C10 | C11 | H2 | 179.9° | 180.0° |
| C11 | C10 | C9 | N8 | 0.5° | 0.3° |
| C10 | C11 | C6 | H2 | 180.0° | 179.9° |
| C10 | C11 | C6 | C7 | 0.2° | 0.2° |
| C10 | C11 | C6 | N5 | 178.7° | 179.9° |
| C11 | C10 | C9 | H5 | 179.5° | 180.0° |
| C9 | N8 | C7 | C6 | 1.0° | 0.0° |
| C9 | N8 | C7 | H3 | 179.0° | 179.9° |
| N8 | C9 | C10 | H6 | 179.5° | 180.0° |
| C20 | C19 | C18 | H14 | 180.0° | 180.0° |
| C20 | C19 | C18 | C17 | 178.8° | 179.9° |
| C19 | C18 | C17 | C24 | 176.6° | 153.6° |
| C19 | C18 | C17 | N12 | 39.7° | 33.6° |
| C19 | C18 | C17 | H13 | 71.2° | 86.4° |
| C18 | C19 | C20 | H15 | 179.5° | 179.9° |
| C19 | C18 | C23 | H17 | 179.3° | 180.0° |
| C18 | C17 | C24 | N12 | 136.1° | 120.0° |
| C18 | C17 | C24 | H13 | 112.3° | 120.0° |
| C18 | C17 | N12 | H13 | 110.8° | 120.0° |
| C18 | C17 | N12 | C2 | 70.0° | 62.3° |
| C18 | C17 | N12 | C14 | 110.5° | 117.5° |
| C17 | C18 | C19 | H14 | 1.3° | 0.0° |
| C17 | C18 | C23 | H17 | 1.6° | 0.3° |
| C18 | C17 | C24 | H18 | 180.0° | 180.0° |
| C18 | C17 | C24 | H19 | 60.0° | 60.0° |
| C18 | C17 | C24 | H20 | 60.0° | 60.1° |
| C24 | C17 | N12 | H13 | 111.3° | 120.0° |
| C24 | C17 | N12 | C2 | 67.9° | 57.6° |
| C24 | C17 | N12 | C14 | 111.6° | 122.5° |
| C17 | C24 | H18 | H19 | 120.0° | 120.0° |
| C17 | C24 | H18 | H20 | 120.0° | 119.9° |
| C17 | C24 | H19 | H20 | 120.0° | 120.0° |
| N8 | C7 | C6 | C11 | 0.7° | 0.3° |
| N8 | C7 | C6 | H3 | 180.0° | 179.9° |
| N8 | C7 | C6 | N5 | 179.4° | 180.0° |
| C7 | N8 | C9 | H5 | 179.1° | 180.0° |
| C11 | C6 | C7 | N5 | 178.6° | 179.7° |
| C11 | C6 | N5 | C | 30.3° | 32.2° |
| C11 | C6 | C7 | H3 | 179.3° | 179.7° |
| C11 | C6 | N5 | H4 | 149.7° | 147.8° |
| C6 | C11 | C10 | H6 | 179.9° | 179.7° |
| C17 | N12 | C2 | C14 | 179.6° | 179.9° |
| C17 | N12 | C14 | O | 1.4° | 0.0° |
| C17 | N12 | C2 | N1 | 0.4° | 0.0° |
| C17 | N12 | C2 | C3 | 177.2° | 179.8° |
| C17 | N12 | C14 | C13 | 178.4° | 179.8° |
| N12 | C17 | C24 | H18 | 43.9° | 60.0° |
| N12 | C17 | C24 | H19 | 76.0° | 60.0° |
| N12 | C17 | C24 | H20 | 163.9° | 180.0° |
| C7 | C6 | N5 | C | 148.2° | 148.1° |
| C7 | C6 | C11 | H2 | 179.8° | 179.7° |
| C7 | C6 | N5 | H4 | 31.8° | 31.9° |
| C6 | N5 | C | N1 | 2.7° | 174.7° |
| C6 | N5 | C | H4 | 180.0° | 180.0° |
| C6 | N5 | C | N | 179.1° | 5.3° |
| N5 | C6 | C11 | H2 | 1.3° | 0.0° |
| N5 | C6 | C7 | H3 | 0.7° | 0.0° |
| C2 | N12 | C14 | O | 179.0° | 179.8° |
| N12 | C2 | N1 | C3 | 177.2° | 179.8° |
| N12 | C2 | N1 | C | 177.9° | 180.0° |
| C2 | N12 | C14 | C13 | 1.2° | 0.3° |
| N12 | C2 | C3 | C13 | 2.7° | 0.2° |
| N12 | C2 | C3 | C4 | 179.4° | 179.8° |
| C2 | N12 | C17 | H13 | 179.2° | 177.7° |
| N12 | C14 | O | C13 | 179.8° | 179.8° |
| C14 | N12 | C2 | N1 | 180.0° | 179.9° |
| C14 | N12 | C2 | C3 | 2.4° | 0.4° |
| N12 | C14 | C13 | C3 | 0.4° | 0.2° |
| N12 | C14 | C13 | C15 | 118.2° | 118.8° |
| N12 | C14 | C13 | C16 | 121.4° | 118.4° |
| C14 | N12 | C17 | H13 | 0.3° | 2.5° |
| O | C14 | C13 | C3 | 179.4° | 180.0° |
| O | C14 | C13 | C15 | 62.0° | 61.4° |
| O | C14 | C13 | C16 | 58.4° | 61.4° |
| C2 | N1 | C | N5 | 178.1° | 179.7° |
| C2 | N1 | C | N | 0.0° | 0.3° |
| N1 | C2 | C3 | C13 | 179.5° | 180.0° |
| N1 | C2 | C3 | C4 | 1.6° | 0.0° |
| C | N1 | C2 | C3 | 0.6° | 0.3° |
| N1 | C | N5 | N | 178.1° | 180.0° |
| N1 | C | N | C4 | 0.6° | 0.0° |
| N1 | C | N5 | H4 | 177.3° | 5.3° |
| C2 | C3 | C13 | C14 | 1.9° | 0.0° |
| C2 | C3 | C13 | C4 | 177.2° | 180.0° |
| C2 | C3 | C13 | C15 | 116.0° | 118.6° |
| C2 | C3 | C13 | C16 | 119.2° | 118.6° |
| C2 | C3 | C4 | N | 2.2° | 0.3° |
| C2 | C3 | C4 | H1 | 177.8° | 180.0° |
| C14 | C13 | C3 | C15 | 117.9° | 118.6° |
| C14 | C13 | C3 | C16 | 117.2° | 118.6° |
| C14 | C13 | C3 | C4 | 179.2° | 180.0° |
| C14 | C13 | C15 | C16 | 119.4° | 122.8° |
| C14 | C13 | C15 | H7 | 180.0° | 58.5° |
| C14 | C13 | C15 | H8 | 60.0° | 178.5° |
| C14 | C13 | C15 | H9 | 60.0° | 61.5° |
| C14 | C13 | C16 | H10 | 180.0° | 61.5° |
| C14 | C13 | C16 | H11 | 60.0° | 178.5° |
| C14 | C13 | C16 | H12 | 60.0° | 58.5° |
| N5 | C | N | C4 | 177.5° | 180.0° |
| C | N | C4 | C3 | 1.8° | 0.3° |
| C | N | C4 | H1 | 178.2° | 180.0° |
| N | C | N5 | H4 | 0.8° | 174.7° |
| C3 | C13 | C15 | C16 | 126.9° | 122.8° |
| C13 | C3 | C4 | N | 179.4° | 179.7° |
| C13 | C3 | C4 | H1 | 0.6° | 0.0° |
| C3 | C13 | C15 | H7 | 66.3° | 55.9° |
| C3 | C13 | C15 | H8 | 173.7° | 64.1° |
| C3 | C13 | C15 | H9 | 53.7° | 175.9° |
| C3 | C13 | C16 | H10 | 65.8° | 175.9° |
| C3 | C13 | C16 | H11 | 54.2° | 64.1° |
| C3 | C13 | C16 | H12 | 174.2° | 55.9° |
| C4 | C3 | C13 | C15 | 61.2° | 61.4° |
| C4 | C3 | C13 | C16 | 63.6° | 61.4° |
| C3 | C4 | N | H1 | 180.0° | 179.7° |
| C13 | C15 | H7 | H8 | 120.0° | 120.0° |
| C13 | C15 | H7 | H9 | 120.0° | 120.0° |
| C13 | C15 | H8 | H9 | 120.0° | 120.0° |
| C15 | C13 | C16 | H10 | 59.6° | 61.3° |
| C15 | C13 | C16 | H11 | 179.6° | 58.7° |
| C15 | C13 | C16 | H12 | 60.4° | 178.7° |
| C16 | C13 | C15 | H7 | 60.6° | 178.7° |
| C16 | C13 | C15 | H8 | 59.4° | 58.7° |
| C16 | C13 | C15 | H9 | 179.4° | 61.3° |
| C13 | C16 | H10 | H11 | 120.0° | 120.0° |
| C13 | C16 | H10 | H12 | 120.0° | 120.0° |
| C13 | C16 | H11 | H12 | 120.0° | 120.0° |
| H2 | C11 | C10 | H6 | 0.1° | 0.3° |
| H5 | C9 | C10 | H6 | 0.5° | 0.3° |
| H7 | C15 | H8 | H9 | 120.0° | 120.0° |
| H10 | C16 | H11 | H12 | 120.1° | 120.0° |
| H13 | C17 | C24 | H18 | 67.7° | 60.0° |
| H13 | C17 | C24 | H19 | 172.4° | 179.9° |
| H13 | C17 | C24 | H20 | 52.3° | 59.9° |
| H14 | C19 | C20 | H15 | 0.5° | 0.1° |
| H16 | C22 | C23 | H17 | 0.0° | 0.2° |
| H18 | C24 | H19 | H20 | 120.0° | 120.0° |
