8Z7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C15 | sing | 1.51Å | 1.56Å | |
| C14 | N1 | sing | 1.47Å | 1.23Å | |
| C20 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.42Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.41Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| N1 | C2 | sing | 1.47Å | 1.42Å | |
| N1 | C3 | sing | 1.47Å | 1.46Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C1 | C5 | sing | 1.53Å | 1.45Å | |
| C4 | C5 | sing | 1.53Å | 1.41Å | |
| C5 | N2 | sing | 1.47Å | 1.55Å | |
| N2 | C6 | sing | 1.35Å | 1.46Å | |
| C6 | O | doub | 1.22Å | 1.22Å | |
| C6 | N3 | sing | 1.35Å | 1.42Å | |
| N3 | C7 | sing | 1.40Å | 1.45Å | |
| C7 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.41Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.37Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| F3 | C13 | sing | 1.40Å | 1.35Å | |
| C11 | C13 | sing | 1.51Å | 1.55Å | |
| C11 | C10 | doub | 1.38Å | 1.41Å | Aromatic |
| F1 | C13 | sing | 1.40Å | 1.36Å | |
| C13 | F2 | sing | 1.40Å | 1.33Å | |
| C9 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C14 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| N2 | H11 | sing | 0.97Å | 1.00Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H13 | sing | 1.09Å | 1.10Å | |
| N3 | H14 | sing | 0.97Å | 1.00Å | |
| C1 | H15 | sing | 1.09Å | 1.10Å | |
| C1 | H16 | sing | 1.09Å | 1.10Å | |
| C2 | H17 | sing | 1.09Å | 1.10Å | |
| C2 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.08Å | 1.08Å | |
| C19 | H20 | sing | 1.08Å | 1.08Å | |
| C18 | H21 | sing | 1.08Å | 1.08Å | |
| C17 | H22 | sing | 1.08Å | 1.08Å | |
| C16 | H23 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C14 | N1 | 115.6° | 109.5° |
| C14 | C15 | C20 | 120.6° | 120.0° |
| C14 | C15 | C16 | 120.1° | 120.0° |
| C15 | C14 | H3 | 107.9° | 109.5° |
| C15 | C14 | H4 | 108.0° | 109.5° |
| C14 | N1 | C2 | 112.8° | 111.0° |
| C14 | N1 | C3 | 114.6° | 111.0° |
| N1 | C14 | H3 | 107.9° | 109.5° |
| N1 | C14 | H4 | 107.9° | 109.4° |
| C15 | C20 | C19 | 119.4° | 120.0° |
| C20 | C15 | C16 | 119.3° | 120.0° |
| C15 | C20 | H19 | 120.3° | 120.0° |
| C20 | C19 | C18 | 120.4° | 120.0° |
| C19 | C20 | H19 | 120.3° | 120.1° |
| C20 | C19 | H20 | 119.8° | 119.9° |
| C15 | C16 | C17 | 122.0° | 120.1° |
| C15 | C16 | H23 | 119.0° | 120.0° |
| C16 | C17 | C18 | 118.1° | 120.0° |
| C16 | C17 | H22 | 120.9° | 120.0° |
| C17 | C16 | H23 | 119.0° | 120.0° |
| C19 | C18 | C17 | 120.8° | 120.0° |
| C18 | C19 | H20 | 119.8° | 120.1° |
| C19 | C18 | H21 | 119.6° | 120.0° |
| C17 | C18 | H21 | 119.6° | 120.0° |
| C18 | C17 | H22 | 121.0° | 120.0° |
| C2 | N1 | C3 | 116.2° | 111.2° |
| N1 | C2 | C1 | 109.5° | 109.5° |
| N1 | C2 | H17 | 109.5° | 109.5° |
| N1 | C2 | H18 | 109.5° | 109.4° |
| N1 | C3 | C4 | 114.3° | 109.5° |
| N1 | C3 | H12 | 108.2° | 109.4° |
| N1 | C3 | H13 | 108.3° | 109.4° |
| C2 | C1 | C5 | 108.7° | 109.3° |
| C2 | C1 | H15 | 109.6° | 109.5° |
| C2 | C1 | H16 | 109.7° | 109.5° |
| C1 | C2 | H17 | 109.5° | 109.4° |
| C1 | C2 | H18 | 109.5° | 109.5° |
| C3 | C4 | C5 | 110.5° | 109.3° |
| C3 | C4 | H1 | 109.2° | 109.5° |
| C3 | C4 | H2 | 109.2° | 109.5° |
| C4 | C3 | H12 | 108.3° | 109.5° |
| C4 | C3 | H13 | 108.2° | 109.5° |
| C1 | C5 | C4 | 114.6° | 109.2° |
| C1 | C5 | N2 | 109.3° | 109.5° |
| C1 | C5 | H5 | 105.1° | 109.6° |
| C5 | C1 | H15 | 109.7° | 109.5° |
| C5 | C1 | H16 | 109.6° | 109.5° |
| C4 | C5 | N2 | 116.8° | 109.5° |
| C5 | C4 | H1 | 109.2° | 109.5° |
| C5 | C4 | H2 | 109.2° | 109.5° |
| C4 | C5 | H5 | 105.6° | 109.5° |
| C5 | N2 | C6 | 126.4° | 120.0° |
| N2 | C5 | H5 | 104.2° | 109.5° |
| C5 | N2 | H11 | 116.8° | 120.0° |
| N2 | C6 | O | 123.3° | 120.0° |
| N2 | C6 | N3 | 115.4° | 120.0° |
| C6 | N2 | H11 | 116.8° | 120.0° |
| O | C6 | N3 | 121.3° | 120.0° |
| C6 | N3 | C7 | 126.9° | 120.0° |
| C6 | N3 | H14 | 116.6° | 120.0° |
| N3 | C7 | C12 | 124.4° | 120.1° |
| N3 | C7 | C8 | 115.5° | 120.1° |
| C7 | N3 | H14 | 116.5° | 120.0° |
| C12 | C7 | C8 | 120.1° | 119.8° |
| C7 | C12 | C11 | 118.9° | 120.0° |
| C7 | C12 | H9 | 120.5° | 120.0° |
| C7 | C8 | C9 | 120.7° | 120.0° |
| C7 | C8 | H6 | 119.7° | 120.0° |
| C12 | C11 | C13 | 119.3° | 120.0° |
| C12 | C11 | C10 | 121.0° | 120.0° |
| C11 | C12 | H9 | 120.5° | 120.0° |
| C8 | C9 | C10 | 119.3° | 120.0° |
| C9 | C8 | H6 | 119.7° | 120.0° |
| C8 | C9 | H7 | 120.4° | 119.9° |
| F3 | C13 | C11 | 108.4° | 109.5° |
| F3 | C13 | F1 | 109.9° | 109.5° |
| F3 | C13 | F2 | 108.4° | 109.5° |
| C13 | C11 | C10 | 119.7° | 120.0° |
| C11 | C13 | F1 | 109.8° | 109.5° |
| C11 | C13 | F2 | 109.8° | 109.5° |
| C11 | C10 | C9 | 120.1° | 120.2° |
| C11 | C10 | H8 | 120.0° | 119.9° |
| F1 | C13 | F2 | 110.5° | 109.4° |
| C10 | C9 | H7 | 120.3° | 120.0° |
| C9 | C10 | H8 | 120.0° | 119.9° |
| H1 | C4 | H2 | 109.5° | 109.5° |
| H3 | C14 | H4 | 109.5° | 109.4° |
| H12 | C3 | H13 | 109.5° | 109.5° |
| H15 | C1 | H16 | 109.5° | 109.6° |
| H17 | C2 | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C14 | N1 | H3 | 120.9° | 120.0° |
| C15 | C14 | N1 | H4 | 120.9° | 120.0° |
| C14 | C15 | C20 | C16 | 178.2° | 179.8° |
| C14 | C15 | C20 | C19 | 179.7° | 180.0° |
| C14 | C15 | C16 | C17 | 179.3° | 179.8° |
| C15 | C14 | N1 | C2 | 82.2° | 170.0° |
| C15 | C14 | N1 | C3 | 53.8° | 65.8° |
| C15 | C14 | H3 | H4 | 117.3° | 120.1° |
| C14 | C15 | C20 | H19 | 0.3° | 0.1° |
| C14 | C15 | C16 | H23 | 0.7° | 0.0° |
| N1 | C14 | C15 | C20 | 87.8° | 89.8° |
| N1 | C14 | C15 | C16 | 94.0° | 90.0° |
| C14 | N1 | C2 | C3 | 135.3° | 124.1° |
| C14 | N1 | C2 | C1 | 173.3° | 174.1° |
| C14 | N1 | C3 | C4 | 178.5° | 174.1° |
| N1 | C14 | H3 | H4 | 117.2° | 119.9° |
| C14 | N1 | C3 | H12 | 57.7° | 54.1° |
| C14 | N1 | C3 | H13 | 60.8° | 65.8° |
| C14 | N1 | C2 | H17 | 53.3° | 54.2° |
| C14 | N1 | C2 | H18 | 66.7° | 65.8° |
| C15 | C20 | C19 | H19 | 180.0° | 179.9° |
| C20 | C15 | C16 | C17 | 1.1° | 0.4° |
| C15 | C20 | C19 | C18 | 1.1° | 0.0° |
| C20 | C15 | C14 | H3 | 151.3° | 150.2° |
| C20 | C15 | C14 | H4 | 33.1° | 30.2° |
| C15 | C20 | C19 | H20 | 178.9° | 180.0° |
| C20 | C15 | C16 | H23 | 178.9° | 179.8° |
| C19 | C20 | C15 | C16 | 1.5° | 0.2° |
| C20 | C19 | C18 | H20 | 180.0° | 179.9° |
| C20 | C19 | C18 | C17 | 0.3° | 0.0° |
| C20 | C19 | C18 | H21 | 179.7° | 179.9° |
| C15 | C16 | C17 | H23 | 180.0° | 179.8° |
| C15 | C16 | C17 | C18 | 0.3° | 0.4° |
| C16 | C15 | C14 | H3 | 26.9° | 30.0° |
| C16 | C15 | C14 | H4 | 145.1° | 150.0° |
| C16 | C15 | C20 | H19 | 178.5° | 179.7° |
| C15 | C16 | C17 | H22 | 179.8° | 179.7° |
| C16 | C17 | C18 | C19 | 0.1° | 0.2° |
| C16 | C17 | C18 | H22 | 180.0° | 179.9° |
| C16 | C17 | C18 | H21 | 179.9° | 179.8° |
| C19 | C18 | C17 | H21 | 180.0° | 180.0° |
| C18 | C19 | C20 | H19 | 178.9° | 180.0° |
| C19 | C18 | C17 | H22 | 179.8° | 179.9° |
| C17 | C18 | C19 | H20 | 179.7° | 180.0° |
| C18 | C17 | C16 | H23 | 179.7° | 179.8° |
| N1 | C2 | C1 | H17 | 120.0° | 120.0° |
| N1 | C2 | C1 | H18 | 120.0° | 120.0° |
| C2 | N1 | C3 | C4 | 44.0° | 61.7° |
| N1 | C2 | C1 | C5 | 57.9° | 59.2° |
| C2 | N1 | C14 | H3 | 156.9° | 70.0° |
| C2 | N1 | C14 | H4 | 38.7° | 50.0° |
| C2 | N1 | C3 | H12 | 76.7° | 178.2° |
| C2 | N1 | C3 | H13 | 164.7° | 58.3° |
| N1 | C2 | C1 | H15 | 62.0° | 179.1° |
| N1 | C2 | C1 | H16 | 177.8° | 60.8° |
| N1 | C2 | H17 | H18 | 120.0° | 120.0° |
| C3 | N1 | C2 | C1 | 51.4° | 61.7° |
| N1 | C3 | C4 | H12 | 120.7° | 120.0° |
| N1 | C3 | C4 | H13 | 120.7° | 120.0° |
| N1 | C3 | C4 | C5 | 41.8° | 59.2° |
| N1 | C3 | C4 | H1 | 161.9° | 60.8° |
| N1 | C3 | C4 | H2 | 78.4° | 179.1° |
| C3 | N1 | C14 | H3 | 67.1° | 54.3° |
| C3 | N1 | C14 | H4 | 174.7° | 174.2° |
| N1 | C3 | H12 | H13 | 117.8° | 119.9° |
| C3 | N1 | C2 | H17 | 171.4° | 178.3° |
| C3 | N1 | C2 | H18 | 68.6° | 58.3° |
| C2 | C1 | C5 | H15 | 119.9° | 119.9° |
| C2 | C1 | C5 | H16 | 119.9° | 119.9° |
| C2 | C1 | C5 | C4 | 61.5° | 57.7° |
| C2 | C1 | C5 | N2 | 165.3° | 177.6° |
| C2 | C1 | C5 | H5 | 54.0° | 62.3° |
| C2 | C1 | H15 | H16 | 120.3° | 120.1° |
| C1 | C2 | H17 | H18 | 120.0° | 120.0° |
| C3 | C4 | C5 | C1 | 52.5° | 57.7° |
| C3 | C4 | C5 | H1 | 120.1° | 120.0° |
| C3 | C4 | C5 | H2 | 120.1° | 119.9° |
| C3 | C4 | C5 | N2 | 177.8° | 177.6° |
| C3 | C4 | H1 | H2 | 119.5° | 120.1° |
| C3 | C4 | C5 | H5 | 62.7° | 62.3° |
| C4 | C3 | H12 | H13 | 117.8° | 120.1° |
| C1 | C5 | C4 | N2 | 129.7° | 119.9° |
| C1 | C5 | C4 | H5 | 115.2° | 120.0° |
| C1 | C5 | N2 | H5 | 112.0° | 120.2° |
| C1 | C5 | N2 | C6 | 175.9° | 85.3° |
| C1 | C5 | C4 | H1 | 172.6° | 62.3° |
| C1 | C5 | C4 | H2 | 67.7° | 177.6° |
| C1 | C5 | N2 | H11 | 4.1° | 94.7° |
| C5 | C1 | H15 | H16 | 120.3° | 120.1° |
| C5 | C1 | C2 | H17 | 177.9° | 179.2° |
| C5 | C1 | C2 | H18 | 62.2° | 60.8° |
| C4 | C5 | N2 | H5 | 115.9° | 120.1° |
| C4 | C5 | N2 | C6 | 43.7° | 155.0° |
| C5 | C4 | H1 | H2 | 119.6° | 120.1° |
| C4 | C5 | N2 | H11 | 136.2° | 25.0° |
| C5 | C4 | C3 | H12 | 78.9° | 179.2° |
| C5 | C4 | C3 | H13 | 162.5° | 60.8° |
| C4 | C5 | C1 | H15 | 58.4° | 177.6° |
| C4 | C5 | C1 | H16 | 178.7° | 62.3° |
| C5 | N2 | C6 | H11 | 180.0° | 180.0° |
| C5 | N2 | C6 | O | 2.1° | 0.0° |
| C5 | N2 | C6 | N3 | 178.4° | 180.0° |
| N2 | C5 | C4 | H1 | 57.7° | 57.6° |
| N2 | C5 | C4 | H2 | 62.0° | 62.5° |
| N2 | C5 | C1 | H15 | 74.9° | 62.5° |
| N2 | C5 | C1 | H16 | 45.4° | 57.6° |
| N2 | C6 | O | N3 | 179.5° | 180.0° |
| N2 | C6 | N3 | C7 | 177.4° | 175.4° |
| C6 | N2 | C5 | H5 | 72.2° | 34.9° |
| N2 | C6 | N3 | H14 | 2.6° | 4.6° |
| O | C6 | N3 | C7 | 3.1° | 4.7° |
| O | C6 | N2 | H11 | 177.8° | 180.0° |
| O | C6 | N3 | H14 | 176.9° | 175.4° |
| C6 | N3 | C7 | H14 | 180.0° | 180.0° |
| C6 | N3 | C7 | C12 | 32.8° | 35.2° |
| C6 | N3 | C7 | C8 | 143.6° | 144.9° |
| N3 | C6 | N2 | H11 | 1.6° | 0.0° |
| N3 | C7 | C12 | C8 | 176.2° | 179.9° |
| N3 | C7 | C12 | C11 | 177.8° | 180.0° |
| N3 | C7 | C8 | C9 | 178.4° | 179.7° |
| N3 | C7 | C8 | H6 | 1.7° | 0.1° |
| N3 | C7 | C12 | H9 | 2.1° | 0.0° |
| C7 | C12 | C11 | H9 | 180.0° | 180.0° |
| C12 | C7 | C8 | C9 | 1.8° | 0.2° |
| C7 | C12 | C11 | C13 | 179.9° | 180.0° |
| C7 | C12 | C11 | C10 | 1.1° | 0.3° |
| C12 | C7 | C8 | H6 | 178.2° | 180.0° |
| C12 | C7 | N3 | H14 | 147.3° | 144.9° |
| C8 | C7 | C12 | C11 | 1.7° | 0.1° |
| C7 | C8 | C9 | H6 | 180.0° | 179.8° |
| C7 | C8 | C9 | C10 | 1.5° | 0.2° |
| C7 | C8 | C9 | H7 | 178.6° | 180.0° |
| C8 | C7 | C12 | H9 | 178.3° | 179.9° |
| C8 | C7 | N3 | H14 | 36.4° | 35.1° |
| C12 | C11 | C13 | F3 | 59.4° | 60.3° |
| C12 | C11 | C13 | C10 | 179.0° | 179.7° |
| C12 | C11 | C13 | F1 | 60.7° | 59.7° |
| C12 | C11 | C13 | F2 | 177.6° | 179.7° |
| C12 | C11 | C10 | C9 | 0.7° | 0.3° |
| C12 | C11 | C10 | H8 | 179.2° | 179.7° |
| C8 | C9 | C10 | C11 | 0.9° | 0.0° |
| C8 | C9 | C10 | H7 | 180.0° | 179.7° |
| C8 | C9 | C10 | H8 | 179.1° | 180.0° |
| F3 | C13 | C11 | F1 | 120.1° | 120.0° |
| F3 | C13 | C11 | F2 | 118.2° | 120.0° |
| F3 | C13 | C11 | C10 | 121.6° | 120.0° |
| F3 | C13 | F1 | F2 | 119.5° | 120.0° |
| C11 | C13 | F1 | F2 | 121.3° | 120.0° |
| C13 | C11 | C10 | C9 | 179.7° | 180.0° |
| C13 | C11 | C10 | H8 | 0.3° | 0.0° |
| C13 | C11 | C12 | H9 | 0.1° | 0.0° |
| C10 | C11 | C13 | F1 | 118.3° | 120.0° |
| C10 | C11 | C13 | F2 | 3.4° | 0.0° |
| C11 | C10 | C9 | H8 | 180.0° | 180.0° |
| C11 | C10 | C9 | H7 | 179.1° | 179.7° |
| C10 | C11 | C12 | H9 | 178.9° | 179.7° |
| C10 | C9 | C8 | H6 | 178.6° | 180.0° |
| H1 | C4 | C5 | H5 | 57.4° | 177.7° |
| H1 | C4 | C3 | H12 | 41.2° | 59.2° |
| H1 | C4 | C3 | H13 | 77.3° | 179.2° |
| H2 | C4 | C5 | H5 | 177.2° | 57.6° |
| H2 | C4 | C3 | H12 | 160.9° | 60.9° |
| H2 | C4 | C3 | H13 | 42.4° | 59.2° |
| H5 | C5 | N2 | H11 | 107.9° | 145.1° |
| H5 | C5 | C1 | H15 | 173.8° | 57.6° |
| H5 | C5 | C1 | H16 | 65.9° | 177.8° |
| H6 | C8 | C9 | H7 | 1.4° | 0.2° |
| H7 | C9 | C10 | H8 | 0.9° | 0.3° |
| H15 | C1 | C2 | H17 | 58.0° | 60.9° |
| H15 | C1 | C2 | H18 | 178.0° | 59.1° |
| H16 | C1 | C2 | H17 | 62.2° | 59.3° |
| H16 | C1 | C2 | H18 | 57.7° | 179.3° |
| H19 | C20 | C19 | H20 | 1.1° | 0.1° |
| H20 | C19 | C18 | H21 | 0.3° | 0.0° |
| H21 | C18 | C17 | H22 | 0.2° | 0.0° |
| H22 | C17 | C16 | H23 | 0.2° | 0.1° |
