A1D7Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAI | CAE | sing | 1.51Å | 1.41Å | |
| CAE | CAF | doub | 1.38Å | 1.41Å | Aromatic |
| CAE | CAD | sing | 1.39Å | 1.42Å | Aromatic |
| CAF | CAA | sing | 1.39Å | 1.38Å | Aromatic |
| OAH | CAD | sing | 1.36Å | 1.36Å | |
| CAD | CAC | doub | 1.39Å | 1.40Å | Aromatic |
| CAA | OAG | sing | 1.36Å | 1.28Å | |
| CAA | CAB | doub | 1.39Å | 1.39Å | Aromatic |
| CAC | CAB | sing | 1.38Å | 1.39Å | Aromatic |
| CAC | OAJ | sing | 1.36Å | 1.39Å | |
| OAJ | CAK | sing | 1.43Å | 1.44Å | |
| CAK | H1 | sing | 1.09Å | 1.10Å | |
| CAK | H2 | sing | 1.09Å | 1.10Å | |
| CAK | H3 | sing | 1.09Å | 1.10Å | |
| CAB | H4 | sing | 1.08Å | 1.08Å | |
| CAF | H6 | sing | 1.08Å | 1.08Å | |
| CAI | H7 | sing | 1.09Å | 1.10Å | |
| CAI | H8 | sing | 1.09Å | 1.10Å | |
| CAI | H9 | sing | 1.09Å | 1.10Å | |
| OAH | H10 | sing | 0.97Å | 0.95Å | |
| OAG | H5 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAI | CAE | CAF | 121.1° | 120.0° |
| CAI | CAE | CAD | 120.8° | 120.0° |
| CAE | CAI | H7 | 109.5° | 109.5° |
| CAE | CAI | H8 | 109.5° | 109.5° |
| CAE | CAI | H9 | 109.5° | 109.4° |
| CAF | CAE | CAD | 118.1° | 120.0° |
| CAE | CAF | CAA | 116.7° | 120.1° |
| CAE | CAF | H6 | 121.6° | 120.0° |
| CAE | CAD | OAH | 118.9° | 120.0° |
| CAE | CAD | CAC | 123.5° | 120.0° |
| CAF | CAA | OAG | 121.3° | 120.0° |
| CAF | CAA | CAB | 125.7° | 120.0° |
| CAA | CAF | H6 | 121.7° | 119.9° |
| OAH | CAD | CAC | 117.6° | 120.0° |
| CAD | OAH | H10 | 109.5° | 114.1° |
| CAD | CAC | CAB | 117.9° | 119.9° |
| CAD | CAC | OAJ | 117.9° | 120.0° |
| OAG | CAA | CAB | 112.9° | 120.0° |
| CAA | OAG | H5 | 109.5° | 114.0° |
| CAA | CAB | CAC | 118.0° | 120.0° |
| CAA | CAB | H4 | 121.0° | 120.0° |
| CAB | CAC | OAJ | 124.2° | 120.1° |
| CAC | CAB | H4 | 121.0° | 120.0° |
| CAC | OAJ | CAK | 111.3° | 116.9° |
| OAJ | CAK | H1 | 109.5° | 109.5° |
| OAJ | CAK | H2 | 109.5° | 109.5° |
| OAJ | CAK | H3 | 109.5° | 109.5° |
| H1 | CAK | H2 | 109.5° | 109.4° |
| H1 | CAK | H3 | 109.4° | 109.4° |
| H2 | CAK | H3 | 109.5° | 109.5° |
| H7 | CAI | H8 | 109.4° | 109.5° |
| H7 | CAI | H9 | 109.5° | 109.4° |
| H8 | CAI | H9 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAI | CAE | CAF | CAD | 179.8° | 179.7° |
| CAI | CAE | CAF | CAA | 179.7° | 179.9° |
| CAI | CAE | CAD | OAH | 2.0° | 0.2° |
| CAI | CAE | CAD | CAC | 179.5° | 179.9° |
| CAI | CAE | CAF | H6 | 0.3° | 0.0° |
| CAE | CAI | H7 | H8 | 120.0° | 120.0° |
| CAE | CAI | H7 | H9 | 120.0° | 120.0° |
| CAE | CAI | H8 | H9 | 120.0° | 120.0° |
| CAE | CAF | CAA | H6 | 180.0° | 179.9° |
| CAF | CAE | CAD | OAH | 178.1° | 180.0° |
| CAF | CAE | CAD | CAC | 0.3° | 0.4° |
| CAE | CAF | CAA | OAG | 177.7° | 180.0° |
| CAE | CAF | CAA | CAB | 0.7° | 0.0° |
| CAF | CAE | CAI | H7 | 89.9° | 90.0° |
| CAF | CAE | CAI | H8 | 150.1° | 150.0° |
| CAF | CAE | CAI | H9 | 30.1° | 30.0° |
| CAD | CAE | CAF | CAA | 0.2° | 0.2° |
| CAE | CAD | OAH | CAC | 178.5° | 179.6° |
| CAE | CAD | CAC | CAB | 0.4° | 0.4° |
| CAE | CAD | CAC | OAJ | 179.7° | 179.8° |
| CAD | CAE | CAF | H6 | 179.8° | 179.7° |
| CAD | CAE | CAI | H7 | 89.9° | 89.7° |
| CAD | CAE | CAI | H8 | 30.1° | 30.3° |
| CAD | CAE | CAI | H9 | 150.1° | 150.3° |
| CAE | CAD | OAH | H10 | 180.0° | 89.9° |
| CAF | CAA | OAG | CAB | 177.4° | 180.0° |
| CAF | CAA | CAB | CAC | 1.4° | 0.0° |
| CAF | CAA | CAB | H4 | 178.6° | 180.0° |
| CAF | CAA | OAG | H5 | 180.0° | 90.1° |
| OAH | CAD | CAC | CAB | 178.8° | 180.0° |
| OAH | CAD | CAC | OAJ | 1.9° | 0.1° |
| CAD | CAC | CAB | CAA | 1.2° | 0.2° |
| CAD | CAC | CAB | OAJ | 179.2° | 179.8° |
| CAD | CAC | OAJ | CAK | 169.5° | 179.8° |
| CAD | CAC | CAB | H4 | 178.8° | 179.8° |
| CAC | CAD | OAH | H10 | 1.4° | 90.4° |
| OAG | CAA | CAB | CAC | 178.6° | 180.0° |
| OAG | CAA | CAB | H4 | 1.3° | 0.0° |
| OAG | CAA | CAF | H6 | 2.3° | 0.1° |
| CAA | CAB | CAC | H4 | 180.0° | 180.0° |
| CAA | CAB | CAC | OAJ | 179.6° | 180.0° |
| CAB | CAA | CAF | H6 | 179.3° | 180.0° |
| CAB | CAA | OAG | H5 | 2.7° | 90.0° |
| CAB | CAC | OAJ | CAK | 9.8° | 0.0° |
| CAC | OAJ | CAK | H1 | 180.0° | 180.0° |
| CAC | OAJ | CAK | H2 | 60.0° | 60.0° |
| CAC | OAJ | CAK | H3 | 60.0° | 60.1° |
| OAJ | CAC | CAB | H4 | 0.4° | 0.0° |
| OAJ | CAK | H1 | H2 | 120.0° | 120.0° |
| OAJ | CAK | H1 | H3 | 120.0° | 120.0° |
| OAJ | CAK | H2 | H3 | 120.0° | 120.1° |
| H1 | CAK | H2 | H3 | 120.0° | 119.9° |
| H7 | CAI | H8 | H9 | 120.0° | 120.0° |
