A1D7Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAK | CAD | sing | 1.51Å | 1.42Å | |
| CAE | CAD | doub | 1.38Å | 1.41Å | Aromatic |
| CAE | CAF | sing | 1.39Å | 1.40Å | Aromatic |
| CAD | CAC | sing | 1.39Å | 1.41Å | Aromatic |
| CAF | OAG | sing | 1.36Å | 1.32Å | |
| CAF | CAA | doub | 1.39Å | 1.41Å | Aromatic |
| CAC | OAH | sing | 1.36Å | 1.35Å | |
| CAC | CAB | doub | 1.39Å | 1.41Å | Aromatic |
| CAA | CAB | sing | 1.38Å | 1.41Å | Aromatic |
| CAA | CAJ | sing | 1.51Å | 1.41Å | |
| CAB | CAI | sing | 1.51Å | 1.44Å | |
| CAJ | H1 | sing | 1.09Å | 1.10Å | |
| CAJ | H2 | sing | 1.09Å | 1.10Å | |
| CAJ | H3 | sing | 1.09Å | 1.10Å | |
| CAI | H4 | sing | 1.09Å | 1.10Å | |
| CAI | H5 | sing | 1.09Å | 1.10Å | |
| CAI | H6 | sing | 1.09Å | 1.10Å | |
| OAH | H7 | sing | 0.97Å | 0.95Å | |
| CAK | H8 | sing | 1.09Å | 1.10Å | |
| CAK | H9 | sing | 1.09Å | 1.10Å | |
| CAK | H10 | sing | 1.09Å | 1.10Å | |
| CAE | H11 | sing | 1.08Å | 1.08Å | |
| OAG | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAK | CAD | CAE | 117.5° | 120.0° |
| CAK | CAD | CAC | 123.4° | 120.0° |
| CAD | CAK | H8 | 109.5° | 109.4° |
| CAD | CAK | H9 | 109.5° | 109.5° |
| CAD | CAK | H10 | 109.4° | 109.5° |
| CAD | CAE | CAF | 116.4° | 120.0° |
| CAE | CAD | CAC | 119.0° | 120.0° |
| CAD | CAE | H11 | 121.8° | 120.0° |
| CAE | CAF | OAG | 120.9° | 120.0° |
| CAE | CAF | CAA | 125.2° | 120.0° |
| CAF | CAE | H11 | 121.8° | 120.0° |
| CAD | CAC | OAH | 120.3° | 120.0° |
| CAD | CAC | CAB | 124.2° | 120.0° |
| OAG | CAF | CAA | 113.9° | 120.0° |
| CAF | OAG | H12 | 109.5° | 114.0° |
| CAF | CAA | CAB | 117.9° | 120.0° |
| CAF | CAA | CAJ | 118.7° | 120.0° |
| OAH | CAC | CAB | 115.5° | 120.0° |
| CAC | OAH | H7 | 109.5° | 113.9° |
| CAC | CAB | CAA | 117.2° | 120.0° |
| CAC | CAB | CAI | 120.0° | 120.0° |
| CAB | CAA | CAJ | 123.3° | 120.0° |
| CAA | CAB | CAI | 122.8° | 120.0° |
| CAA | CAJ | H1 | 109.5° | 109.5° |
| CAA | CAJ | H2 | 109.5° | 109.5° |
| CAA | CAJ | H3 | 109.4° | 109.5° |
| CAB | CAI | H4 | 109.5° | 109.5° |
| CAB | CAI | H5 | 109.5° | 109.4° |
| CAB | CAI | H6 | 109.4° | 109.5° |
| H1 | CAJ | H2 | 109.5° | 109.5° |
| H1 | CAJ | H3 | 109.5° | 109.5° |
| H2 | CAJ | H3 | 109.5° | 109.4° |
| H4 | CAI | H5 | 109.5° | 109.4° |
| H4 | CAI | H6 | 109.5° | 109.5° |
| H5 | CAI | H6 | 109.4° | 109.5° |
| H8 | CAK | H9 | 109.4° | 109.5° |
| H8 | CAK | H10 | 109.5° | 109.5° |
| H9 | CAK | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAK | CAD | CAE | CAC | 176.9° | 180.0° |
| CAK | CAD | CAE | CAF | 179.6° | 179.8° |
| CAK | CAD | CAC | OAH | 3.1° | 0.0° |
| CAK | CAD | CAC | CAB | 179.5° | 180.0° |
| CAD | CAK | H8 | H9 | 120.0° | 120.0° |
| CAD | CAK | H8 | H10 | 120.0° | 120.0° |
| CAD | CAK | H9 | H10 | 120.0° | 120.0° |
| CAK | CAD | CAE | H11 | 0.4° | 0.0° |
| CAD | CAE | CAF | H11 | 180.0° | 179.8° |
| CAD | CAE | CAF | OAG | 178.2° | 180.0° |
| CAD | CAE | CAF | CAA | 2.4° | 0.4° |
| CAE | CAD | CAC | OAH | 179.8° | 180.0° |
| CAE | CAD | CAC | CAB | 2.7° | 0.0° |
| CAE | CAD | CAK | H8 | 91.4° | 90.0° |
| CAE | CAD | CAK | H9 | 148.6° | 30.0° |
| CAE | CAD | CAK | H10 | 28.6° | 150.0° |
| CAF | CAE | CAD | CAC | 3.5° | 0.2° |
| CAE | CAF | OAG | CAA | 179.5° | 179.6° |
| CAE | CAF | CAA | CAB | 0.1° | 0.4° |
| CAE | CAF | CAA | CAJ | 177.6° | 179.8° |
| CAE | CAF | OAG | H12 | 180.0° | 89.9° |
| CAD | CAC | OAH | CAB | 177.6° | 180.0° |
| CAD | CAC | CAB | CAA | 0.4° | 0.0° |
| CAD | CAC | CAB | CAI | 179.4° | 180.0° |
| CAD | CAC | OAH | H7 | 180.0° | 90.1° |
| CAC | CAD | CAK | H8 | 91.8° | 90.0° |
| CAC | CAD | CAK | H9 | 28.2° | 150.0° |
| CAC | CAD | CAK | H10 | 148.2° | 30.0° |
| CAC | CAD | CAE | H11 | 176.5° | 180.0° |
| OAG | CAF | CAA | CAB | 179.6° | 180.0° |
| OAG | CAF | CAA | CAJ | 1.9° | 0.2° |
| OAG | CAF | CAE | H11 | 1.8° | 0.2° |
| CAF | CAA | CAB | CAC | 0.9° | 0.2° |
| CAF | CAA | CAB | CAJ | 177.6° | 179.8° |
| CAF | CAA | CAB | CAI | 178.1° | 179.7° |
| CAF | CAA | CAJ | H1 | 88.9° | 90.3° |
| CAF | CAA | CAJ | H2 | 151.1° | 29.8° |
| CAF | CAA | CAJ | H3 | 31.1° | 149.7° |
| CAA | CAF | CAE | H11 | 177.6° | 179.8° |
| CAA | CAF | OAG | H12 | 0.5° | 90.5° |
| OAH | CAC | CAB | CAA | 178.0° | 180.0° |
| OAH | CAC | CAB | CAI | 3.0° | 0.1° |
| CAC | CAB | CAA | CAI | 179.0° | 179.9° |
| CAC | CAB | CAA | CAJ | 178.5° | 180.0° |
| CAC | CAB | CAI | H4 | 90.5° | 89.9° |
| CAC | CAB | CAI | H5 | 149.5° | 30.0° |
| CAC | CAB | CAI | H6 | 29.5° | 150.0° |
| CAB | CAC | OAH | H7 | 2.4° | 90.0° |
| CAB | CAA | CAJ | H1 | 88.7° | 90.0° |
| CAB | CAA | CAJ | H2 | 31.3° | 150.0° |
| CAB | CAA | CAJ | H3 | 151.3° | 30.1° |
| CAA | CAB | CAI | H4 | 90.6° | 90.0° |
| CAA | CAB | CAI | H5 | 29.5° | 150.0° |
| CAA | CAB | CAI | H6 | 149.4° | 30.0° |
| CAJ | CAA | CAB | CAI | 0.5° | 0.0° |
| CAA | CAJ | H1 | H2 | 120.0° | 120.0° |
| CAA | CAJ | H1 | H3 | 120.0° | 120.0° |
| CAA | CAJ | H2 | H3 | 120.0° | 120.0° |
| CAB | CAI | H4 | H5 | 120.0° | 119.9° |
| CAB | CAI | H4 | H6 | 120.0° | 120.1° |
| CAB | CAI | H5 | H6 | 119.9° | 120.0° |
| H1 | CAJ | H2 | H3 | 120.0° | 120.0° |
| H4 | CAI | H5 | H6 | 120.0° | 120.0° |
| H8 | CAK | H9 | H10 | 120.0° | 120.0° |
