A4Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C13 | O12 | sing | 1.43Å | 1.43Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| O12 | C5 | sing | 1.36Å | 1.37Å | |
| C6 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.51Å | |
| C15 | C16 | sing | 1.53Å | 1.51Å | |
| C1 | C8 | sing | 1.51Å | 1.51Å | |
| C8 | O9 | doub | 1.21Å | 1.22Å | |
| C8 | N10 | sing | 1.35Å | 1.33Å | |
| N10 | O11 | sing | 1.42Å | 1.39Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| N10 | H7 | sing | 0.97Å | 1.00Å | |
| O11 | H8 | sing | 0.97Å | 0.95Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C13 | O12 | 109.5° | 109.5° |
| C13 | C14 | C15 | 111.0° | 109.5° |
| C14 | C13 | H9 | 109.5° | 109.5° |
| C14 | C13 | H10 | 109.5° | 109.5° |
| C13 | C14 | H11 | 109.1° | 109.5° |
| C13 | C14 | H12 | 109.1° | 109.5° |
| C13 | O12 | C5 | 120.0° | 117.0° |
| O12 | C13 | H9 | 109.5° | 109.5° |
| O12 | C13 | H10 | 109.5° | 109.5° |
| C14 | C15 | C16 | 111.0° | 109.5° |
| C15 | C14 | H11 | 109.1° | 109.5° |
| C15 | C14 | H12 | 109.1° | 109.5° |
| C14 | C15 | H13 | 109.1° | 109.5° |
| C14 | C15 | H14 | 109.1° | 109.5° |
| O12 | C5 | C6 | 120.0° | 120.0° |
| O12 | C5 | C4 | 120.0° | 120.1° |
| C5 | C6 | C7 | 120.0° | 119.9° |
| C6 | C5 | C4 | 120.0° | 119.9° |
| C5 | C6 | H5 | 120.0° | 120.0° |
| C6 | C7 | C2 | 120.1° | 120.1° |
| C7 | C6 | H5 | 120.0° | 120.1° |
| C6 | C7 | H6 | 120.0° | 120.0° |
| C5 | C4 | C3 | 120.0° | 119.9° |
| C5 | C4 | H4 | 120.0° | 120.0° |
| C7 | C2 | C3 | 120.0° | 120.1° |
| C7 | C2 | C1 | 120.0° | 120.0° |
| C2 | C7 | H6 | 120.0° | 119.9° |
| C4 | C3 | C2 | 120.0° | 120.1° |
| C4 | C3 | H3 | 120.0° | 120.0° |
| C3 | C4 | H4 | 120.0° | 120.1° |
| C3 | C2 | C1 | 120.0° | 120.0° |
| C2 | C3 | H3 | 120.0° | 119.9° |
| C2 | C1 | C8 | 109.5° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C16 | C15 | H13 | 109.1° | 109.5° |
| C16 | C15 | H14 | 109.1° | 109.5° |
| C15 | C16 | H15 | 109.5° | 109.5° |
| C15 | C16 | H16 | 109.4° | 109.5° |
| C15 | C16 | H17 | 109.5° | 109.5° |
| C1 | C8 | O9 | 120.5° | 120.0° |
| C1 | C8 | N10 | 116.5° | 120.0° |
| C8 | C1 | H1 | 109.5° | 109.4° |
| C8 | C1 | H2 | 109.5° | 109.5° |
| O9 | C8 | N10 | 123.0° | 120.0° |
| C8 | N10 | O11 | 120.0° | 120.0° |
| C8 | N10 | H7 | 120.0° | 120.0° |
| O11 | N10 | H7 | 120.0° | 120.0° |
| N10 | O11 | H8 | 109.5° | 114.0° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H9 | C13 | H10 | 109.5° | 109.5° |
| H11 | C14 | H12 | 109.5° | 109.4° |
| H13 | C15 | H14 | 109.4° | 109.5° |
| H15 | C16 | H16 | 109.5° | 109.5° |
| H15 | C16 | H17 | 109.5° | 109.4° |
| H16 | C16 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C13 | O12 | H9 | 120.0° | 120.0° |
| C14 | C13 | O12 | H10 | 120.0° | 120.0° |
| C13 | C14 | C15 | H11 | 120.2° | 120.0° |
| C13 | C14 | C15 | H12 | 120.2° | 120.0° |
| C14 | C13 | O12 | C5 | 148.2° | 180.0° |
| C13 | C14 | C15 | C16 | 165.8° | 180.0° |
| C14 | C13 | H9 | H10 | 120.0° | 120.0° |
| C13 | C14 | H11 | H12 | 119.3° | 120.0° |
| C13 | C14 | C15 | H13 | 73.9° | 60.0° |
| C13 | C14 | C15 | H14 | 45.6° | 60.0° |
| O12 | C13 | C14 | C15 | 59.4° | 180.0° |
| C13 | O12 | C5 | C6 | 137.1° | 0.0° |
| C13 | O12 | C5 | C4 | 43.0° | 180.0° |
| O12 | C13 | H9 | H10 | 120.0° | 120.0° |
| O12 | C13 | C14 | H11 | 179.6° | 59.9° |
| O12 | C13 | C14 | H12 | 60.8° | 60.0° |
| C14 | C15 | C16 | H13 | 120.2° | 120.0° |
| C14 | C15 | C16 | H14 | 120.3° | 120.0° |
| C15 | C14 | C13 | H9 | 179.4° | 60.0° |
| C15 | C14 | C13 | H10 | 60.6° | 60.0° |
| C15 | C14 | H11 | H12 | 119.3° | 120.0° |
| C14 | C15 | H13 | H14 | 119.3° | 120.0° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | H16 | 60.0° | 60.0° |
| C14 | C15 | C16 | H17 | 60.0° | 60.0° |
| O12 | C5 | C6 | C4 | 180.0° | 179.9° |
| O12 | C5 | C6 | C7 | 180.0° | 179.8° |
| O12 | C5 | C4 | C3 | 180.0° | 179.9° |
| O12 | C5 | C4 | H4 | 0.0° | 0.0° |
| O12 | C5 | C6 | H5 | 0.0° | 0.0° |
| C5 | O12 | C13 | H9 | 91.8° | 60.0° |
| C5 | O12 | C13 | H10 | 28.2° | 60.0° |
| C5 | C6 | C7 | H5 | 180.0° | 179.8° |
| C5 | C6 | C7 | C2 | 0.1° | 0.5° |
| C6 | C5 | C4 | C3 | 0.0° | 0.0° |
| C6 | C5 | C4 | H4 | 180.0° | 180.0° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C7 | C6 | C5 | C4 | 0.0° | 0.3° |
| C6 | C7 | C2 | H6 | 180.0° | 179.5° |
| C6 | C7 | C2 | C3 | 0.1° | 0.5° |
| C6 | C7 | C2 | C1 | 180.0° | 179.7° |
| C5 | C4 | C3 | H4 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 0.0° | 0.0° |
| C5 | C4 | C3 | H3 | 180.0° | 180.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C7 | C2 | C3 | C4 | 0.0° | 0.3° |
| C7 | C2 | C3 | C1 | 180.0° | 179.7° |
| C7 | C2 | C1 | C8 | 98.3° | 90.3° |
| C7 | C2 | C1 | H1 | 21.7° | 29.7° |
| C7 | C2 | C1 | H2 | 141.7° | 149.7° |
| C7 | C2 | C3 | H3 | 179.9° | 179.7° |
| C2 | C7 | C6 | H5 | 179.9° | 179.7° |
| C4 | C3 | C2 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 180.0° | 180.0° |
| C3 | C2 | C1 | C8 | 81.8° | 90.0° |
| C3 | C2 | C1 | H1 | 158.2° | 150.0° |
| C3 | C2 | C1 | H2 | 38.2° | 30.0° |
| C2 | C3 | C4 | H4 | 180.0° | 180.0° |
| C3 | C2 | C7 | H6 | 180.0° | 180.0° |
| C2 | C1 | C8 | H1 | 120.0° | 120.0° |
| C2 | C1 | C8 | H2 | 120.0° | 120.1° |
| C2 | C1 | C8 | O9 | 127.7° | 0.1° |
| C2 | C1 | C8 | N10 | 52.4° | 180.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C1 | C2 | C3 | H3 | 0.0° | 0.0° |
| C1 | C2 | C7 | H6 | 0.0° | 0.3° |
| C16 | C15 | C14 | H11 | 45.6° | 60.0° |
| C16 | C15 | C14 | H12 | 74.0° | 60.0° |
| C16 | C15 | H13 | H14 | 119.3° | 120.0° |
| C15 | C16 | H15 | H16 | 120.0° | 120.0° |
| C15 | C16 | H15 | H17 | 120.0° | 120.0° |
| C15 | C16 | H16 | H17 | 120.0° | 120.0° |
| C1 | C8 | O9 | N10 | 180.0° | 179.9° |
| C1 | C8 | N10 | O11 | 74.9° | 180.0° |
| C8 | C1 | H1 | H2 | 120.0° | 120.0° |
| C1 | C8 | N10 | H7 | 105.1° | 0.0° |
| O9 | C8 | N10 | O11 | 105.1° | 0.0° |
| O9 | C8 | C1 | H1 | 7.7° | 120.1° |
| O9 | C8 | C1 | H2 | 112.3° | 120.0° |
| O9 | C8 | N10 | H7 | 74.9° | 179.9° |
| C8 | N10 | O11 | H7 | 180.0° | 180.0° |
| N10 | C8 | C1 | H1 | 172.4° | 60.0° |
| N10 | C8 | C1 | H2 | 67.6° | 59.9° |
| C8 | N10 | O11 | H8 | 180.0° | 180.0° |
| H3 | C3 | C4 | H4 | 0.0° | 0.0° |
| H5 | C6 | C7 | H6 | 0.0° | 0.2° |
| H7 | N10 | O11 | H8 | 0.0° | 0.1° |
| H9 | C13 | C14 | H11 | 60.4° | 179.9° |
| H9 | C13 | C14 | H12 | 59.2° | 60.0° |
| H10 | C13 | C14 | H11 | 59.6° | 60.0° |
| H10 | C13 | C14 | H12 | 179.1° | 180.0° |
| H11 | C14 | C15 | H13 | 165.9° | 180.0° |
| H11 | C14 | C15 | H14 | 74.6° | 60.0° |
| H12 | C14 | C15 | H13 | 46.3° | 60.0° |
| H12 | C14 | C15 | H14 | 165.8° | 180.0° |
| H13 | C15 | C16 | H15 | 59.8° | 60.0° |
| H13 | C15 | C16 | H16 | 179.8° | 180.0° |
| H13 | C15 | C16 | H17 | 60.2° | 60.0° |
| H14 | C15 | C16 | H15 | 59.7° | 60.0° |
| H14 | C15 | C16 | H16 | 60.3° | 60.0° |
| H14 | C15 | C16 | H17 | 179.7° | 180.0° |
| H15 | C16 | H16 | H17 | 120.0° | 120.0° |
