C9H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAC | sing | 1.53Å | 1.53Å | |
| CAB | NAG | doub | 1.31Å | 1.34Å | Aromatic |
| CAB | NAI | sing | 1.33Å | 1.33Å | Aromatic |
| CAC | CAD | sing | 1.53Å | 1.53Å | |
| CAD | CAE | sing | 1.53Å | 1.52Å | |
| CAE | CAF | sing | 1.53Å | 1.52Å | |
| CAF | SAJ | sing | 1.81Å | 1.82Å | |
| NAG | NAH | sing | 1.40Å | 1.23Å | Aromatic |
| NAH | CAK | sing | 1.35Å | 1.34Å | Aromatic |
| NAI | CAK | doub | 1.32Å | 1.33Å | Aromatic |
| SAJ | CAK | sing | 1.76Å | 1.78Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| CAB | HAB | sing | 1.08Å | 1.08Å | |
| CAC | HAC | sing | 1.09Å | 1.10Å | |
| CAC | HACA | sing | 1.09Å | 1.10Å | |
| CAD | HAD | sing | 1.09Å | 1.10Å | |
| CAD | HADA | sing | 1.09Å | 1.10Å | |
| CAE | HAE | sing | 1.09Å | 1.10Å | |
| CAE | HAEA | sing | 1.09Å | 1.10Å | |
| CAF | HAF | sing | 1.09Å | 1.10Å | |
| CAF | HAFA | sing | 1.09Å | 1.10Å | |
| NAH | HNAH | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAC | CAD | 108.6° | 109.5° |
| CAC | CAA | HAA | 109.5° | 109.5° |
| CAC | CAA | HAAA | 109.5° | 109.5° |
| CAC | CAA | HAAB | 109.5° | 109.5° |
| CAA | CAC | HAC | 109.7° | 109.5° |
| CAA | CAC | HACA | 109.7° | 109.5° |
| NAG | CAB | NAI | 108.9° | 109.2° |
| CAB | NAG | NAH | 109.9° | 107.0° |
| NAG | CAB | HAB | 125.5° | 125.4° |
| CAB | NAI | CAK | 103.5° | 109.7° |
| NAI | CAB | HAB | 125.6° | 125.4° |
| CAC | CAD | CAE | 111.7° | 109.5° |
| CAD | CAC | HAC | 109.7° | 109.5° |
| CAD | CAC | HACA | 109.7° | 109.4° |
| CAC | CAD | HAD | 108.9° | 109.5° |
| CAC | CAD | HADA | 108.9° | 109.4° |
| CAD | CAE | CAF | 107.4° | 109.5° |
| CAE | CAD | HAD | 108.9° | 109.5° |
| CAE | CAD | HADA | 108.9° | 109.5° |
| CAD | CAE | HAE | 110.0° | 109.5° |
| CAD | CAE | HAEA | 110.0° | 109.5° |
| CAE | CAF | SAJ | 112.8° | 109.5° |
| CAF | CAE | HAE | 110.0° | 109.5° |
| CAF | CAE | HAEA | 110.0° | 109.4° |
| CAE | CAF | HAF | 108.6° | 109.5° |
| CAE | CAF | HAFA | 108.6° | 109.4° |
| CAF | SAJ | CAK | 105.5° | 100.1° |
| SAJ | CAF | HAF | 108.7° | 109.5° |
| SAJ | CAF | HAFA | 108.6° | 109.5° |
| NAG | NAH | CAK | 107.4° | 106.4° |
| NAG | NAH | HNAH | 126.3° | 126.8° |
| NAH | CAK | NAI | 110.3° | 107.8° |
| NAH | CAK | SAJ | 123.9° | 126.1° |
| CAK | NAH | HNAH | 126.3° | 126.8° |
| NAI | CAK | SAJ | 125.8° | 126.1° |
| HAA | CAA | HAAA | 109.5° | 109.5° |
| HAA | CAA | HAAB | 109.4° | 109.5° |
| HAAA | CAA | HAAB | 109.5° | 109.4° |
| HAC | CAC | HACA | 109.4° | 109.5° |
| HAD | CAD | HADA | 109.5° | 109.5° |
| HAE | CAE | HAEA | 109.5° | 109.5° |
| HAF | CAF | HAFA | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAC | CAD | HAC | 119.9° | 120.0° |
| CAA | CAC | CAD | HACA | 119.9° | 120.0° |
| CAA | CAC | CAD | CAE | 179.0° | 180.0° |
| CAC | CAA | HAA | HAAA | 120.0° | 120.0° |
| CAC | CAA | HAA | HAAB | 120.0° | 120.0° |
| CAC | CAA | HAAA | HAAB | 120.0° | 120.0° |
| CAA | CAC | HAC | HACA | 120.3° | 120.0° |
| CAA | CAC | CAD | HAD | 58.7° | 60.0° |
| CAA | CAC | CAD | HADA | 60.7° | 60.0° |
| NAG | CAB | NAI | HAB | 180.0° | 179.8° |
| CAB | NAG | NAH | CAK | 0.9° | 0.0° |
| NAG | CAB | NAI | CAK | 0.6° | 0.0° |
| CAB | NAG | NAH | HNAH | 179.1° | 180.0° |
| NAI | CAB | NAG | NAH | 0.9° | 0.0° |
| CAB | NAI | CAK | NAH | 0.0° | 0.0° |
| CAB | NAI | CAK | SAJ | 178.4° | 180.0° |
| CAC | CAD | CAE | HAD | 120.3° | 120.0° |
| CAC | CAD | CAE | HADA | 120.3° | 119.9° |
| CAC | CAD | CAE | CAF | 154.6° | 180.0° |
| CAD | CAC | CAA | HAA | 180.0° | 60.0° |
| CAD | CAC | CAA | HAAA | 60.0° | 60.0° |
| CAD | CAC | CAA | HAAB | 60.0° | 179.9° |
| CAD | CAC | HAC | HACA | 120.4° | 119.9° |
| CAC | CAD | HAD | HADA | 119.0° | 119.9° |
| CAC | CAD | CAE | HAE | 34.9° | 60.0° |
| CAC | CAD | CAE | HAEA | 85.7° | 60.1° |
| CAD | CAE | CAF | HAE | 119.7° | 120.1° |
| CAD | CAE | CAF | HAEA | 119.7° | 120.0° |
| CAD | CAE | CAF | SAJ | 99.2° | 180.0° |
| CAE | CAD | CAC | HAC | 61.1° | 59.9° |
| CAE | CAD | CAC | HACA | 59.1° | 60.0° |
| CAE | CAD | HAD | HADA | 119.0° | 120.0° |
| CAD | CAE | HAE | HAEA | 121.0° | 120.0° |
| CAD | CAE | CAF | HAF | 21.3° | 59.9° |
| CAD | CAE | CAF | HAFA | 140.3° | 60.0° |
| CAE | CAF | SAJ | HAF | 120.5° | 120.0° |
| CAE | CAF | SAJ | HAFA | 120.5° | 120.0° |
| CAE | CAF | SAJ | CAK | 163.1° | 180.0° |
| CAF | CAE | CAD | HAD | 85.1° | 60.0° |
| CAF | CAE | CAD | HADA | 34.3° | 60.1° |
| CAF | CAE | HAE | HAEA | 121.0° | 119.9° |
| CAE | CAF | HAF | HAFA | 118.5° | 119.9° |
| CAF | SAJ | CAK | NAH | 165.1° | 180.0° |
| CAF | SAJ | CAK | NAI | 16.6° | 0.0° |
| SAJ | CAF | CAE | HAE | 141.1° | 60.0° |
| SAJ | CAF | CAE | HAEA | 20.5° | 60.0° |
| SAJ | CAF | HAF | HAFA | 118.5° | 120.0° |
| NAG | NAH | CAK | HNAH | 180.0° | 179.9° |
| NAG | NAH | CAK | NAI | 0.5° | 0.0° |
| NAG | NAH | CAK | SAJ | 179.0° | 180.0° |
| NAH | NAG | CAB | HAB | 179.1° | 179.8° |
| NAH | CAK | NAI | SAJ | 178.5° | 180.0° |
| CAK | NAI | CAB | HAB | 179.4° | 179.8° |
| NAI | CAK | NAH | HNAH | 179.4° | 180.0° |
| CAK | SAJ | CAF | HAF | 42.6° | 60.0° |
| CAK | SAJ | CAF | HAFA | 76.4° | 60.0° |
| SAJ | CAK | NAH | HNAH | 0.9° | 0.0° |
| HAA | CAA | HAAA | HAAB | 119.9° | 120.0° |
| HAA | CAA | CAC | HAC | 60.2° | 60.0° |
| HAA | CAA | CAC | HACA | 60.1° | 180.0° |
| HAAA | CAA | CAC | HAC | 59.9° | 180.0° |
| HAAA | CAA | CAC | HACA | 179.9° | 59.9° |
| HAAB | CAA | CAC | HAC | 179.9° | 60.0° |
| HAAB | CAA | CAC | HACA | 59.9° | 60.0° |
| HAC | CAC | CAD | HAD | 178.5° | 180.0° |
| HAC | CAC | CAD | HADA | 59.2° | 60.0° |
| HACA | CAC | CAD | HAD | 61.2° | 60.0° |
| HACA | CAC | CAD | HADA | 179.4° | 180.0° |
| HAD | CAD | CAE | HAE | 155.2° | 180.0° |
| HAD | CAD | CAE | HAEA | 34.6° | 60.0° |
| HADA | CAD | CAE | HAE | 85.4° | 60.0° |
| HADA | CAD | CAE | HAEA | 154.0° | 180.0° |
| HAE | CAE | CAF | HAF | 98.3° | NaN° |
| HAE | CAE | CAF | HAFA | 20.7° | 60.0° |
| HAEA | CAE | CAF | HAF | 141.0° | 60.0° |
| HAEA | CAE | CAF | HAFA | 100.0° | NaN° |
