H7Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAD | sing | 1.51Å | 1.53Å | |
| CAD | CAE | doub | 1.33Å | 1.49Å | |
| CAE | CAJ | sing | 1.48Å | 1.41Å | |
| CAJ | CAH | sing | 1.40Å | 1.38Å | Aromatic |
| CAJ | CAF | doub | 1.39Å | 1.37Å | Aromatic |
| CAH | CAL | doub | 1.38Å | 1.39Å | Aromatic |
| CAF | CAG | sing | 1.38Å | 1.36Å | Aromatic |
| CAG | CAK | doub | 1.39Å | 1.36Å | Aromatic |
| CAK | OAC | sing | 1.36Å | 1.38Å | |
| CAK | CAL | sing | 1.39Å | 1.39Å | Aromatic |
| CAL | OAI | sing | 1.36Å | 1.35Å | |
| OAI | CAB | sing | 1.43Å | 1.42Å | |
| CAA | HAA1 | sing | 1.09Å | 1.10Å | |
| CAA | HAA2 | sing | 1.09Å | 1.10Å | |
| CAA | HAA3 | sing | 1.09Å | 1.10Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| OAC | HAC | sing | 0.97Å | 0.95Å | |
| CAB | HAB1 | sing | 1.09Å | 1.10Å | |
| CAB | HAB2 | sing | 1.09Å | 1.10Å | |
| CAB | HAB3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAD | CAE | 118.9° | 120.0° |
| CAD | CAA | HAA1 | 109.5° | 109.5° |
| CAD | CAA | HAA2 | 109.5° | 109.4° |
| CAD | CAA | HAA3 | 109.5° | 109.5° |
| CAA | CAD | HAD | 120.5° | 120.0° |
| CAD | CAE | CAJ | 120.6° | 120.0° |
| CAE | CAD | HAD | 120.5° | 120.0° |
| CAD | CAE | HAE | 119.7° | 120.0° |
| CAE | CAJ | CAH | 125.1° | 120.0° |
| CAE | CAJ | CAF | 115.9° | 120.1° |
| CAJ | CAE | HAE | 119.7° | 120.1° |
| CAH | CAJ | CAF | 118.9° | 119.9° |
| CAJ | CAH | CAL | 118.1° | 119.9° |
| CAJ | CAH | HAH | 121.0° | 120.1° |
| CAJ | CAF | CAG | 123.1° | 120.0° |
| CAJ | CAF | HAF | 118.4° | 120.0° |
| CAH | CAL | CAK | 121.4° | 120.0° |
| CAH | CAL | OAI | 126.6° | 120.0° |
| CAL | CAH | HAH | 121.0° | 120.0° |
| CAF | CAG | CAK | 118.9° | 120.1° |
| CAG | CAF | HAF | 118.5° | 120.0° |
| CAF | CAG | HAG | 120.6° | 119.9° |
| CAG | CAK | OAC | 123.2° | 120.0° |
| CAG | CAK | CAL | 119.5° | 120.1° |
| CAK | CAG | HAG | 120.6° | 119.9° |
| OAC | CAK | CAL | 117.2° | 119.9° |
| CAK | OAC | HAC | 109.5° | 114.0° |
| CAK | CAL | OAI | 112.0° | 120.0° |
| CAL | OAI | CAB | 121.9° | 117.0° |
| OAI | CAB | HAB1 | 109.5° | 109.5° |
| OAI | CAB | HAB2 | 109.5° | 109.5° |
| OAI | CAB | HAB3 | 109.5° | 109.4° |
| HAA1 | CAA | HAA2 | 109.5° | 109.4° |
| HAA1 | CAA | HAA3 | 109.4° | 109.6° |
| HAA2 | CAA | HAA3 | 109.5° | 109.5° |
| HAB1 | CAB | HAB2 | 109.5° | 109.5° |
| HAB1 | CAB | HAB3 | 109.5° | 109.5° |
| HAB2 | CAB | HAB3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAD | CAE | HAD | 180.0° | 179.9° |
| CAA | CAD | CAE | CAJ | 179.8° | 180.0° |
| CAD | CAA | HAA1 | HAA2 | 120.0° | 119.9° |
| CAD | CAA | HAA1 | HAA3 | 120.0° | 120.1° |
| CAD | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
| CAA | CAD | CAE | HAE | 0.2° | 0.0° |
| CAD | CAE | CAJ | HAE | 180.0° | 180.0° |
| CAD | CAE | CAJ | CAH | 32.5° | 180.0° |
| CAD | CAE | CAJ | CAF | 150.9° | 0.3° |
| CAE | CAD | CAA | HAA1 | 180.0° | 59.9° |
| CAE | CAD | CAA | HAA2 | 60.0° | 60.0° |
| CAE | CAD | CAA | HAA3 | 60.0° | 180.0° |
| CAE | CAJ | CAH | CAF | 176.6° | 179.7° |
| CAE | CAJ | CAH | CAL | 179.7° | 180.0° |
| CAE | CAJ | CAF | CAG | 178.7° | 180.0° |
| CAJ | CAE | CAD | HAD | 0.1° | 0.1° |
| CAE | CAJ | CAH | HAH | 0.3° | 0.1° |
| CAE | CAJ | CAF | HAF | 1.3° | 0.0° |
| CAJ | CAH | CAL | HAH | 180.0° | 179.9° |
| CAH | CAJ | CAF | CAG | 1.8° | 0.3° |
| CAJ | CAH | CAL | CAK | 3.0° | 0.0° |
| CAJ | CAH | CAL | OAI | 178.3° | 180.0° |
| CAH | CAJ | CAE | HAE | 147.6° | 0.0° |
| CAH | CAJ | CAF | HAF | 178.2° | 179.7° |
| CAF | CAJ | CAH | CAL | 3.7° | 0.3° |
| CAJ | CAF | CAG | HAF | 180.0° | 180.0° |
| CAJ | CAF | CAG | CAK | 1.0° | 0.0° |
| CAF | CAJ | CAE | HAE | 29.1° | 179.7° |
| CAF | CAJ | CAH | HAH | 176.3° | 179.8° |
| CAJ | CAF | CAG | HAG | 179.0° | 180.0° |
| CAH | CAL | CAK | CAG | 0.2° | 0.2° |
| CAH | CAL | CAK | OAC | 179.3° | 179.9° |
| CAH | CAL | CAK | OAI | 178.9° | 180.0° |
| CAH | CAL | OAI | CAB | 13.8° | 0.0° |
| CAF | CAG | CAK | HAG | 180.0° | 180.0° |
| CAF | CAG | CAK | OAC | 178.7° | 179.9° |
| CAF | CAG | CAK | CAL | 1.8° | 0.2° |
| CAG | CAK | OAC | CAL | 179.5° | 179.7° |
| CAG | CAK | CAL | OAI | 179.1° | 179.7° |
| CAK | CAG | CAF | HAF | 179.0° | 180.0° |
| CAG | CAK | OAC | HAC | 180.0° | 90.0° |
| OAC | CAK | CAL | OAI | 0.4° | 0.0° |
| OAC | CAK | CAG | HAG | 1.2° | 0.0° |
| CAK | CAL | OAI | CAB | 164.9° | 180.0° |
| CAK | CAL | CAH | HAH | 177.0° | 180.0° |
| CAL | CAK | CAG | HAG | 178.2° | 179.7° |
| CAL | CAK | OAC | HAC | 0.5° | 90.3° |
| OAI | CAL | CAH | HAH | 1.7° | 0.1° |
| CAL | OAI | CAB | HAB1 | 180.0° | 180.0° |
| CAL | OAI | CAB | HAB2 | 60.0° | 60.0° |
| CAL | OAI | CAB | HAB3 | 60.0° | 60.0° |
| OAI | CAB | HAB1 | HAB2 | 120.0° | 120.0° |
| OAI | CAB | HAB1 | HAB3 | 120.0° | 120.0° |
| OAI | CAB | HAB2 | HAB3 | 120.0° | 120.0° |
| HAA1 | CAA | HAA2 | HAA3 | 119.9° | 120.1° |
| HAA1 | CAA | CAD | HAD | 0.0° | 120.0° |
| HAA2 | CAA | CAD | HAD | 120.0° | 120.1° |
| HAA3 | CAA | CAD | HAD | 120.0° | 0.1° |
| HAD | CAD | CAE | HAE | 179.8° | 179.9° |
| HAF | CAF | CAG | HAG | 1.0° | 0.0° |
| HAB1 | CAB | HAB2 | HAB3 | 120.0° | 120.0° |
