9Z4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | C23 | sing | 1.53Å | 1.51Å | |
| C18 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| N21 | C19 | sing | 1.40Å | 1.42Å | |
| N21 | C22 | sing | 1.35Å | 1.35Å | |
| C23 | C22 | sing | 1.51Å | 1.48Å | |
| C19 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C22 | O24 | doub | 1.21Å | 1.24Å | |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.51Å | 1.51Å | |
| O12 | C10 | doub | 1.22Å | 1.24Å | |
| C14 | N13 | sing | 1.46Å | 1.46Å | |
| N13 | C6 | sing | 1.38Å | 1.34Å | |
| C10 | C5 | sing | 1.47Å | 1.49Å | |
| C10 | N11 | sing | 1.35Å | 1.33Å | |
| C6 | C5 | doub | 1.40Å | 1.41Å | Aromatic |
| C6 | C1 | sing | 1.41Å | 1.44Å | Aromatic |
| C7 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.42Å | 1.42Å | Aromatic |
| C1 | N2 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | doub | 1.36Å | 1.38Å | Aromatic |
| C4 | N3 | doub | 1.30Å | 1.29Å | Aromatic |
| N2 | C9 | sing | 1.35Å | 1.36Å | Aromatic |
| N2 | N3 | sing | 1.40Å | 1.38Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H4 | sing | 1.08Å | 1.08Å | |
| N11 | H5 | sing | 0.97Å | 1.00Å | |
| N11 | H6 | sing | 0.97Å | 1.00Å | |
| N13 | H7 | sing | 0.97Å | 1.00Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.08Å | 1.08Å | |
| C17 | H11 | sing | 1.08Å | 1.08Å | |
| C18 | H12 | sing | 1.08Å | 1.08Å | |
| C20 | H13 | sing | 1.08Å | 1.08Å | |
| N21 | H14 | sing | 0.97Å | 1.00Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.09Å | 1.10Å | |
| C25 | H19 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | C23 | C22 | 112.1° | 109.5° |
| C25 | C23 | H15 | 108.8° | 109.5° |
| C25 | C23 | H16 | 108.8° | 109.5° |
| C23 | C25 | H17 | 109.5° | 109.5° |
| C23 | C25 | H18 | 109.5° | 109.5° |
| C23 | C25 | H19 | 109.5° | 109.4° |
| C17 | C18 | C19 | 119.8° | 119.9° |
| C18 | C17 | C16 | 120.2° | 120.1° |
| C18 | C17 | H11 | 119.9° | 119.9° |
| C17 | C18 | H12 | 120.1° | 120.0° |
| C18 | C19 | N21 | 119.1° | 120.1° |
| C18 | C19 | C20 | 119.5° | 119.9° |
| C19 | C18 | H12 | 120.1° | 120.1° |
| C17 | C16 | C15 | 120.8° | 120.2° |
| C17 | C16 | H10 | 119.6° | 119.9° |
| C16 | C17 | H11 | 119.9° | 120.0° |
| C19 | N21 | C22 | 128.5° | 120.0° |
| N21 | C19 | C20 | 121.4° | 120.0° |
| C19 | N21 | H14 | 115.8° | 120.0° |
| N21 | C22 | C23 | 114.3° | 120.0° |
| N21 | C22 | O24 | 123.0° | 120.0° |
| C22 | N21 | H14 | 115.7° | 120.0° |
| C23 | C22 | O24 | 122.7° | 120.0° |
| C22 | C23 | H15 | 108.8° | 109.5° |
| C22 | C23 | H16 | 108.8° | 109.4° |
| C19 | C20 | C15 | 121.0° | 119.9° |
| C19 | C20 | H13 | 119.5° | 120.1° |
| C16 | C15 | C20 | 118.7° | 120.0° |
| C16 | C15 | C14 | 120.9° | 120.0° |
| C15 | C16 | H10 | 119.6° | 119.9° |
| C20 | C15 | C14 | 120.4° | 120.0° |
| C15 | C20 | H13 | 119.5° | 120.0° |
| C15 | C14 | N13 | 112.2° | 109.5° |
| C15 | C14 | H8 | 108.8° | 109.5° |
| C15 | C14 | H9 | 108.8° | 109.5° |
| O12 | C10 | C5 | 121.4° | 119.9° |
| O12 | C10 | N11 | 120.6° | 120.0° |
| C14 | N13 | C6 | 133.6° | 120.0° |
| C14 | N13 | H7 | 103.2° | 120.0° |
| N13 | C14 | H8 | 108.8° | 109.5° |
| N13 | C14 | H9 | 108.8° | 109.5° |
| N13 | C6 | C5 | 120.9° | 120.7° |
| N13 | C6 | C1 | 122.0° | 120.7° |
| C6 | N13 | H7 | 103.1° | 120.0° |
| C5 | C10 | N11 | 118.0° | 120.0° |
| C10 | C5 | C6 | 121.9° | 120.4° |
| C10 | C5 | C4 | 120.4° | 120.3° |
| C10 | N11 | H5 | 120.0° | 120.0° |
| C10 | N11 | H6 | 120.0° | 120.0° |
| C5 | C6 | C1 | 117.1° | 118.5° |
| C6 | C5 | C4 | 117.7° | 119.3° |
| C6 | C1 | C7 | 135.9° | 132.7° |
| C6 | C1 | N2 | 117.3° | 119.6° |
| C1 | C7 | C8 | 107.7° | 106.8° |
| C7 | C1 | N2 | 106.8° | 107.7° |
| C1 | C7 | H2 | 126.2° | 126.6° |
| C7 | C8 | C9 | 108.3° | 107.9° |
| C8 | C7 | H2 | 126.1° | 126.6° |
| C7 | C8 | H3 | 125.8° | 126.1° |
| C5 | C4 | N3 | 127.6° | 121.1° |
| C5 | C4 | H1 | 116.2° | 119.4° |
| C1 | N2 | C9 | 109.8° | 108.3° |
| C1 | N2 | N3 | 126.8° | 119.9° |
| C8 | C9 | N2 | 107.4° | 109.2° |
| C9 | C8 | H3 | 125.8° | 126.0° |
| C8 | C9 | H4 | 126.3° | 125.4° |
| C4 | N3 | N2 | 113.5° | 121.5° |
| N3 | C4 | H1 | 116.2° | 119.5° |
| C9 | N2 | N3 | 123.4° | 131.8° |
| N2 | C9 | H4 | 126.3° | 125.4° |
| H5 | N11 | H6 | 120.0° | 120.0° |
| H8 | C14 | H9 | 109.5° | 109.4° |
| H15 | C23 | H16 | 109.5° | 109.5° |
| H17 | C25 | H18 | 109.5° | 109.5° |
| H17 | C25 | H19 | 109.4° | 109.4° |
| H18 | C25 | H19 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | C23 | C22 | N21 | 67.7° | 180.0° |
| C25 | C23 | C22 | H15 | 120.4° | 120.0° |
| C25 | C23 | C22 | H16 | 120.4° | 120.0° |
| C25 | C23 | C22 | O24 | 110.8° | 0.0° |
| C25 | C23 | H15 | H16 | 118.8° | 120.1° |
| C23 | C25 | H17 | H18 | 120.0° | 120.1° |
| C23 | C25 | H17 | H19 | 120.0° | 119.9° |
| C23 | C25 | H18 | H19 | 120.0° | 120.0° |
| C17 | C18 | C19 | H12 | 180.0° | 179.9° |
| C18 | C17 | C16 | H11 | 180.0° | 179.9° |
| C17 | C18 | C19 | N21 | 178.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.7° | 0.2° |
| C18 | C17 | C16 | C15 | 0.1° | 0.0° |
| C18 | C17 | C16 | H10 | 179.9° | 180.0° |
| C19 | C18 | C17 | C16 | 0.7° | 0.0° |
| C18 | C19 | N21 | C20 | 178.7° | 179.8° |
| C18 | C19 | N21 | C22 | 148.6° | 32.2° |
| C18 | C19 | C20 | C15 | 0.0° | 0.5° |
| C19 | C18 | C17 | H11 | 179.3° | 180.0° |
| C18 | C19 | C20 | H13 | 180.0° | 180.0° |
| C18 | C19 | N21 | H14 | 31.4° | 147.9° |
| C17 | C16 | C15 | H10 | 180.0° | 180.0° |
| C17 | C16 | C15 | C20 | 0.8° | 0.2° |
| C17 | C16 | C15 | C14 | 178.0° | 179.9° |
| C16 | C17 | C18 | H12 | 179.3° | 179.9° |
| C19 | N21 | C22 | H14 | 180.0° | 180.0° |
| C19 | N21 | C22 | C23 | 177.0° | 175.1° |
| C19 | N21 | C22 | O24 | 1.5° | 5.0° |
| N21 | C19 | C20 | C15 | 178.7° | 179.7° |
| N21 | C19 | C18 | H12 | 2.0° | 0.1° |
| N21 | C19 | C20 | H13 | 1.3° | 0.2° |
| N21 | C22 | C23 | O24 | 178.4° | 180.0° |
| C22 | N21 | C19 | C20 | 32.7° | 147.6° |
| N21 | C22 | C23 | H15 | 171.9° | 59.9° |
| N21 | C22 | C23 | H16 | 52.7° | 60.1° |
| C23 | C22 | N21 | H14 | 3.0° | 4.9° |
| C22 | C23 | H15 | H16 | 118.8° | 119.9° |
| C22 | C23 | C25 | H17 | 180.0° | 60.0° |
| C22 | C23 | C25 | H18 | 60.0° | 60.0° |
| C22 | C23 | C25 | H19 | 60.0° | 179.9° |
| C19 | C20 | C15 | C16 | 0.7° | 0.5° |
| C19 | C20 | C15 | H13 | 180.0° | 179.5° |
| C19 | C20 | C15 | C14 | 178.0° | 179.8° |
| C20 | C19 | C18 | H12 | 179.3° | 179.8° |
| C20 | C19 | N21 | H14 | 147.3° | 32.4° |
| O24 | C22 | N21 | H14 | 178.5° | 175.0° |
| O24 | C22 | C23 | H15 | 9.6° | 120.0° |
| O24 | C22 | C23 | H16 | 128.8° | 120.0° |
| C16 | C15 | C20 | C14 | 178.7° | 179.7° |
| C16 | C15 | C14 | N13 | 43.3° | 90.0° |
| C16 | C15 | C14 | H8 | 163.8° | 30.0° |
| C16 | C15 | C14 | H9 | 77.0° | 150.0° |
| C15 | C16 | C17 | H11 | 179.9° | 180.0° |
| C16 | C15 | C20 | H13 | 179.3° | 180.0° |
| C20 | C15 | C14 | N13 | 135.4° | 90.3° |
| C20 | C15 | C14 | H8 | 14.9° | 149.7° |
| C20 | C15 | C14 | H9 | 104.3° | 29.7° |
| C20 | C15 | C16 | H10 | 179.2° | 179.7° |
| C15 | C14 | N13 | H8 | 120.4° | 120.0° |
| C15 | C14 | N13 | H9 | 120.4° | 120.1° |
| C15 | C14 | N13 | C6 | 84.9° | 179.0° |
| C15 | C14 | N13 | H7 | 152.0° | 1.0° |
| C15 | C14 | H8 | H9 | 118.8° | 120.0° |
| C14 | C15 | C16 | H10 | 2.0° | 0.0° |
| C14 | C15 | C20 | H13 | 2.0° | 0.3° |
| O12 | C10 | C5 | N11 | 178.4° | 180.0° |
| O12 | C10 | C5 | C6 | 10.3° | 5.8° |
| O12 | C10 | C5 | C4 | 167.0° | 174.2° |
| O12 | C10 | N11 | H5 | 0.0° | 180.0° |
| O12 | C10 | N11 | H6 | 180.0° | 0.1° |
| C14 | N13 | C6 | H7 | 123.1° | 180.0° |
| C14 | N13 | C6 | C5 | 179.5° | 179.9° |
| C14 | N13 | C6 | C1 | 1.1° | 0.0° |
| N13 | C14 | H8 | H9 | 118.8° | 120.0° |
| N13 | C6 | C5 | C10 | 3.9° | 0.0° |
| N13 | C6 | C5 | C1 | 179.4° | 179.9° |
| N13 | C6 | C1 | C7 | 2.6° | 0.3° |
| N13 | C6 | C5 | C4 | 178.8° | 180.0° |
| N13 | C6 | C1 | N2 | 179.8° | 180.0° |
| C6 | N13 | C14 | H8 | 35.5° | 61.0° |
| C6 | N13 | C14 | H9 | 154.7° | 58.9° |
| C10 | C5 | C6 | C4 | 177.4° | 180.0° |
| C10 | C5 | C6 | C1 | 176.7° | 179.9° |
| C10 | C5 | C4 | N3 | 176.1° | 179.9° |
| C10 | C5 | C4 | H1 | 3.9° | 0.1° |
| C5 | C10 | N11 | H5 | 178.4° | 0.0° |
| C5 | C10 | N11 | H6 | 1.6° | 179.9° |
| N11 | C10 | C5 | C6 | 171.3° | 174.2° |
| N11 | C10 | C5 | C4 | 11.4° | 5.8° |
| C10 | N11 | H5 | H6 | 180.0° | 179.9° |
| C5 | C6 | C1 | C7 | 178.0° | 179.7° |
| C5 | C6 | C1 | N2 | 0.4° | 0.0° |
| C6 | C5 | C4 | N3 | 1.3° | 0.0° |
| C6 | C5 | C4 | H1 | 178.7° | 179.9° |
| C5 | C6 | N13 | H7 | 57.5° | 0.1° |
| C6 | C1 | C7 | N2 | 177.8° | 179.7° |
| C6 | C1 | C7 | C8 | 177.9° | 179.7° |
| C1 | C6 | C5 | C4 | 0.7° | 0.1° |
| C6 | C1 | N2 | C9 | 178.1° | 180.0° |
| C6 | C1 | N2 | N3 | 1.2° | 0.0° |
| C6 | C1 | C7 | H2 | 2.1° | 0.4° |
| C1 | C6 | N13 | H7 | 122.0° | 180.0° |
| C1 | C7 | C8 | H2 | 180.0° | 179.9° |
| C1 | C7 | C8 | C9 | 0.4° | 0.2° |
| C7 | C1 | N2 | C9 | 0.2° | 0.2° |
| C7 | C1 | N2 | N3 | 179.4° | 179.8° |
| C1 | C7 | C8 | H3 | 179.6° | 179.9° |
| C8 | C7 | C1 | N2 | 0.1° | 0.0° |
| C7 | C8 | C9 | H3 | 180.0° | 179.7° |
| C7 | C8 | C9 | N2 | 0.5° | 0.4° |
| C7 | C8 | C9 | H4 | 179.5° | 180.0° |
| C5 | C4 | N3 | H1 | 180.0° | 179.9° |
| C5 | C4 | N3 | N2 | 0.6° | 0.0° |
| C1 | N2 | C9 | C8 | 0.4° | 0.4° |
| C1 | N2 | N3 | C4 | 0.7° | 0.0° |
| C1 | N2 | C9 | N3 | 179.3° | 180.0° |
| N2 | C1 | C7 | H2 | 179.9° | 179.9° |
| C1 | N2 | C9 | H4 | 179.6° | 180.0° |
| C8 | C9 | N2 | H4 | 180.0° | 179.6° |
| C8 | C9 | N2 | N3 | 179.7° | 179.6° |
| C9 | C8 | C7 | H2 | 179.6° | 179.7° |
| C4 | N3 | N2 | C9 | 178.5° | 180.0° |
| N2 | C9 | C8 | H3 | 179.5° | 179.9° |
| N2 | N3 | C4 | H1 | 179.4° | 179.9° |
| N3 | N2 | C9 | H4 | 0.3° | 0.0° |
| H2 | C7 | C8 | H3 | 0.4° | 0.0° |
| H3 | C8 | C9 | H4 | 0.5° | 0.3° |
| H7 | N13 | C14 | H8 | 87.6° | 118.9° |
| H7 | N13 | C14 | H9 | 31.7° | 121.1° |
| H10 | C16 | C17 | H11 | 0.1° | 0.1° |
| H11 | C17 | C18 | H12 | 0.7° | 0.1° |
| H15 | C23 | C25 | H17 | 59.6° | 180.0° |
| H15 | C23 | C25 | H18 | 60.4° | 60.0° |
| H15 | C23 | C25 | H19 | 179.6° | 60.0° |
| H16 | C23 | C25 | H17 | 59.6° | 59.9° |
| H16 | C23 | C25 | H18 | 179.6° | 179.9° |
| H16 | C23 | C25 | H19 | 60.4° | 60.0° |
| H17 | C25 | H18 | H19 | 120.0° | 120.0° |
