A5Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C4 | sing | 1.43Å | 1.43Å | |
| C | C1 | sing | 1.51Å | 1.48Å | |
| C4 | C3 | sing | 1.51Å | 1.49Å | |
| C1 | C3 | doub | 1.35Å | 1.34Å | Aromatic |
| C1 | O | sing | 1.34Å | 1.36Å | Aromatic |
| C3 | C2 | sing | 1.42Å | 1.42Å | Aromatic |
| CL1 | C10 | sing | 1.74Å | 1.73Å | |
| O | N | sing | 1.21Å | 1.35Å | Aromatic |
| C2 | N | doub | 1.31Å | 1.32Å | Aromatic |
| C2 | C5 | sing | 1.48Å | 1.48Å | |
| C10 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.37Å | Aromatic |
| C6 | CL | sing | 1.74Å | 1.73Å | |
| C6 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.37Å | Aromatic |
| C9 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| O1 | H6 | sing | 0.97Å | 0.95Å | |
| C | H7 | sing | 1.09Å | 1.10Å | |
| C | H8 | sing | 1.09Å | 1.10Å | |
| C | H9 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C4 | C3 | 109.9° | 109.5° |
| O1 | C4 | H4 | 109.4° | 109.4° |
| O1 | C4 | H5 | 109.4° | 109.5° |
| C4 | O1 | H6 | 109.5° | 114.0° |
| C | C1 | C3 | 134.2° | 126.7° |
| C | C1 | O | 116.2° | 126.6° |
| C1 | C | H7 | 109.5° | 109.5° |
| C1 | C | H8 | 109.5° | 109.5° |
| C1 | C | H9 | 109.5° | 109.4° |
| C4 | C3 | C1 | 126.6° | 128.0° |
| C4 | C3 | C2 | 129.5° | 128.0° |
| C3 | C4 | H4 | 109.4° | 109.5° |
| C3 | C4 | H5 | 109.4° | 109.5° |
| C3 | C1 | O | 109.6° | 106.7° |
| C1 | C3 | C2 | 103.8° | 103.9° |
| C1 | O | N | 109.0° | 111.8° |
| C3 | C2 | N | 110.8° | 106.1° |
| C3 | C2 | C5 | 130.8° | 127.0° |
| CL1 | C10 | C5 | 119.8° | 120.1° |
| CL1 | C10 | C9 | 119.7° | 120.1° |
| O | N | C2 | 106.7° | 111.4° |
| N | C2 | C5 | 118.4° | 126.9° |
| C2 | C5 | C10 | 121.8° | 120.1° |
| C2 | C5 | C6 | 119.8° | 120.1° |
| C5 | C10 | C9 | 120.5° | 119.9° |
| C10 | C5 | C6 | 118.4° | 119.7° |
| C10 | C9 | C8 | 120.1° | 120.1° |
| C10 | C9 | H1 | 120.0° | 119.9° |
| C5 | C6 | CL | 119.6° | 120.1° |
| C5 | C6 | C7 | 120.9° | 119.9° |
| C9 | C8 | C7 | 120.5° | 120.3° |
| C8 | C9 | H1 | 120.0° | 119.9° |
| C9 | C8 | H2 | 119.8° | 119.9° |
| CL | C6 | C7 | 119.5° | 120.0° |
| C6 | C7 | C8 | 119.7° | 120.1° |
| C6 | C7 | H3 | 120.2° | 119.9° |
| C7 | C8 | H2 | 119.7° | 119.8° |
| C8 | C7 | H3 | 120.2° | 120.0° |
| H4 | C4 | H5 | 109.4° | 109.5° |
| H7 | C | H8 | 109.4° | 109.5° |
| H7 | C | H9 | 109.5° | 109.4° |
| H8 | C | H9 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C4 | C3 | H4 | 120.1° | 120.0° |
| O1 | C4 | C3 | H5 | 120.1° | 120.0° |
| O1 | C4 | C3 | C1 | 89.2° | 84.3° |
| O1 | C4 | C3 | C2 | 88.5° | 96.0° |
| O1 | C4 | H4 | H5 | 119.8° | 120.0° |
| C | C1 | C3 | C4 | 1.6° | 0.1° |
| C | C1 | C3 | O | 179.6° | 180.0° |
| C | C1 | C3 | C2 | 179.8° | 179.7° |
| C | C1 | O | N | 179.3° | 179.8° |
| C1 | C | H7 | H8 | 120.0° | 120.0° |
| C1 | C | H7 | H9 | 120.0° | 119.9° |
| C1 | C | H8 | H9 | 120.0° | 120.0° |
| C4 | C3 | C1 | C2 | 178.2° | 179.8° |
| C4 | C3 | C1 | O | 178.8° | 180.0° |
| C4 | C3 | C2 | N | 178.1° | 180.0° |
| C4 | C3 | C2 | C5 | 1.2° | 0.0° |
| C3 | C4 | H4 | H5 | 119.8° | 120.0° |
| C3 | C4 | O1 | H6 | 180.0° | 180.0° |
| C3 | C1 | O | N | 1.1° | 0.2° |
| C1 | C3 | C2 | N | 0.0° | 0.2° |
| C1 | C3 | C2 | C5 | 179.3° | 179.8° |
| C1 | C3 | C4 | H4 | 150.7° | 35.6° |
| C1 | C3 | C4 | H5 | 30.8° | 155.6° |
| C3 | C1 | C | H7 | 179.5° | 90.0° |
| C3 | C1 | C | H8 | 59.5° | 149.9° |
| C3 | C1 | C | H9 | 60.5° | 30.0° |
| O | C1 | C3 | C2 | 0.6° | 0.2° |
| C1 | O | N | C2 | 1.1° | 0.0° |
| O | C1 | C | H7 | 0.0° | 90.1° |
| O | C1 | C | H8 | 120.0° | 30.0° |
| O | C1 | C | H9 | 120.0° | 150.0° |
| C3 | C2 | N | O | 0.7° | 0.2° |
| C3 | C2 | N | C5 | 179.4° | 180.0° |
| C3 | C2 | C5 | C10 | 53.2° | 58.5° |
| C3 | C2 | C5 | C6 | 126.9° | 121.4° |
| C2 | C3 | C4 | H4 | 31.6° | 144.1° |
| C2 | C3 | C4 | H5 | 151.4° | 24.1° |
| CL1 | C10 | C5 | C2 | 1.5° | 0.4° |
| CL1 | C10 | C5 | C9 | 177.8° | 179.7° |
| CL1 | C10 | C5 | C6 | 178.4° | 179.8° |
| CL1 | C10 | C9 | C8 | 179.0° | 179.7° |
| CL1 | C10 | C9 | H1 | 1.0° | 0.3° |
| O | N | C2 | C5 | 179.9° | 179.9° |
| N | C2 | C5 | C10 | 127.6° | 121.6° |
| N | C2 | C5 | C6 | 52.3° | 58.6° |
| C2 | C5 | C10 | C6 | 180.0° | 179.9° |
| C2 | C5 | C10 | C9 | 179.4° | 180.0° |
| C2 | C5 | C6 | CL | 1.1° | 0.1° |
| C2 | C5 | C6 | C7 | 179.3° | 180.0° |
| C5 | C10 | C9 | C8 | 1.2° | 0.1° |
| C10 | C5 | C6 | CL | 178.9° | 179.9° |
| C10 | C5 | C6 | C7 | 0.7° | 0.1° |
| C5 | C10 | C9 | H1 | 178.8° | 180.0° |
| C9 | C10 | C5 | C6 | 0.6° | 0.1° |
| C10 | C9 | C8 | H1 | 180.0° | 180.0° |
| C10 | C9 | C8 | C7 | 0.4° | 0.0° |
| C10 | C9 | C8 | H2 | 179.6° | 179.9° |
| C5 | C6 | CL | C7 | 178.2° | 180.0° |
| C5 | C6 | C7 | C8 | 1.5° | 0.0° |
| C5 | C6 | C7 | H3 | 178.5° | 179.9° |
| C9 | C8 | C7 | C6 | 0.9° | 0.0° |
| C9 | C8 | C7 | H2 | 180.0° | 179.9° |
| C9 | C8 | C7 | H3 | 179.1° | 180.0° |
| CL | C6 | C7 | C8 | 179.7° | 180.0° |
| CL | C6 | C7 | H3 | 0.3° | 0.0° |
| C6 | C7 | C8 | H3 | 180.0° | 180.0° |
| C6 | C7 | C8 | H2 | 179.0° | 179.9° |
| C7 | C8 | C9 | H1 | 179.6° | 180.0° |
| H1 | C9 | C8 | H2 | 0.4° | 0.0° |
| H2 | C8 | C7 | H3 | 1.0° | 0.1° |
| H4 | C4 | O1 | H6 | 59.9° | 60.0° |
| H5 | C4 | O1 | H6 | 60.0° | 60.0° |
| H7 | C | H8 | H9 | 119.9° | 120.0° |
