JZ9
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAA | CAB | doub | 1.35Å | 1.33Å | Aromatic |
CAA | NAG | sing | 1.37Å | 1.33Å | Aromatic |
CAB | CAH | sing | 1.40Å | 1.33Å | Aromatic |
CAC | CAD | sing | 1.53Å | 1.54Å | |
CAC | CAE | sing | 1.53Å | 1.54Å | |
CAD | CAF | sing | 1.53Å | 1.54Å | |
CAE | CAH | sing | 1.51Å | 1.53Å | |
CAF | CAI | sing | 1.51Å | 1.52Å | |
NAG | CAI | sing | 1.36Å | 1.33Å | Aromatic |
CAH | CAI | doub | 1.35Å | 1.38Å | Aromatic |
CAA | HAA | sing | 1.08Å | 1.08Å | |
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 | |
NAG | HNAG | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAB | CAA | NAG | 110.1° | 108.3° |
CAA | CAB | CAH | 107.5° | 107.3° |
CAB | CAA | HAA | 124.9° | 125.9° |
CAA | CAB | HAB | 126.2° | 126.4° |
CAA | NAG | CAI | 107.0° | 108.7° |
NAG | CAA | HAA | 124.9° | 125.9° |
CAA | NAG | HNAG | 126.5° | 125.7° |
CAB | CAH | CAE | 128.9° | 128.1° |
CAB | CAH | CAI | 107.1° | 107.6° |
CAH | CAB | HAB | 126.3° | 126.3° |
CAD | CAC | CAE | 113.8° | 109.4° |
CAC | CAD | CAF | 116.4° | 109.5° |
CAD | CAC | HAC | 108.0° | 109.5° |
CAD | CAC | HACA | 108.1° | 109.5° |
CAC | CAD | HAD | 107.2° | 109.5° |
CAC | CAD | HADA | 107.2° | 109.4° |
CAC | CAE | CAH | 109.3° | 108.4° |
CAE | CAC | HAC | 108.1° | 109.5° |
CAE | CAC | HACA | 108.0° | 109.4° |
CAC | CAE | HAE | 109.5° | 109.7° |
CAC | CAE | HAEA | 109.5° | 109.7° |
CAD | CAF | CAI | 111.7° | 108.4° |
CAF | CAD | HAD | 107.2° | 109.5° |
CAF | CAD | HADA | 107.2° | 109.5° |
CAD | CAF | HAF | 108.7° | 109.7° |
CAD | CAF | HAFA | 108.7° | 109.7° |
CAE | CAH | CAI | 124.0° | 124.3° |
CAH | CAE | HAE | 109.5° | 109.7° |
CAH | CAE | HAEA | 109.5° | 109.7° |
CAF | CAI | NAG | 127.1° | 127.8° |
CAF | CAI | CAH | 124.7° | 124.0° |
CAI | CAF | HAF | 108.7° | 109.7° |
CAI | CAF | HAFA | 108.7° | 109.7° |
NAG | CAI | CAH | 108.2° | 108.2° |
CAI | NAG | HNAG | 126.5° | 125.6° |
HAC | CAC | HACA | 110.9° | 109.6° |
HAD | CAD | HADA | 111.6° | 109.5° |
HAE | CAE | HAEA | 109.4° | 109.7° |
HAF | CAF | HAFA | 110.2° | 109.7° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAB | CAA | NAG | HAA | 180.0° | 179.7° |
CAA | CAB | CAH | HAB | 180.0° | 180.0° |
CAA | CAB | CAH | CAE | 179.7° | 179.9° |
CAB | CAA | NAG | CAI | 0.4° | 0.1° |
CAA | CAB | CAH | CAI | 0.1° | 0.1° |
CAB | CAA | NAG | HNAG | 179.6° | 179.9° |
NAG | CAA | CAB | CAH | 0.4° | 0.0° |
CAA | NAG | CAI | CAF | 179.6° | 179.8° |
CAA | NAG | CAI | HNAG | 180.0° | 180.0° |
CAA | NAG | CAI | CAH | 0.4° | 0.1° |
NAG | CAA | CAB | HAB | 179.6° | 180.0° |
CAB | CAH | CAE | CAC | 157.3° | 163.4° |
CAB | CAH | CAE | CAI | 179.5° | 179.9° |
CAB | CAH | CAI | CAF | 179.4° | 179.8° |
CAB | CAH | CAI | NAG | 0.2° | 0.1° |
CAH | CAB | CAA | HAA | 179.6° | 179.7° |
CAB | CAH | CAE | HAE | 37.3° | 43.7° |
CAB | CAH | CAE | HAEA | 82.7° | 76.8° |
CAD | CAC | CAE | HAC | 120.0° | 120.0° |
CAD | CAC | CAE | HACA | 120.0° | 119.9° |
CAC | CAD | CAF | HAD | 120.0° | 120.0° |
CAC | CAD | CAF | HADA | 120.0° | 119.9° |
CAD | CAC | CAE | CAH | 46.2° | 49.8° |
CAC | CAD | CAF | CAI | 27.7° | 50.0° |
CAD | CAC | HAC | HACA | 118.2° | 120.1° |
CAC | CAD | HAD | HADA | 117.1° | 119.9° |
CAD | CAC | CAE | HAE | 166.2° | 169.5° |
CAD | CAC | CAE | HAEA | 73.8° | 69.9° |
CAC | CAD | CAF | HAF | 147.7° | 169.8° |
CAC | CAD | CAF | HAFA | 92.3° | 69.7° |
CAE | CAC | CAD | CAF | 52.1° | 70.2° |
CAC | CAE | CAH | HAE | 120.0° | 119.7° |
CAC | CAE | CAH | HAEA | 120.0° | 119.7° |
CAC | CAE | CAH | CAI | 22.3° | 16.5° |
CAE | CAC | HAC | HACA | 118.2° | 120.0° |
CAE | CAC | CAD | HAD | 67.9° | 49.9° |
CAE | CAC | CAD | HADA | 172.1° | 169.8° |
CAC | CAE | HAE | HAEA | 120.1° | 120.5° |
CAD | CAF | CAI | HAF | 120.0° | 119.7° |
CAD | CAF | CAI | HAFA | 120.0° | 119.7° |
CAD | CAF | CAI | NAG | 178.6° | 163.3° |
CAD | CAF | CAI | CAH | 2.3° | 16.6° |
CAF | CAD | CAC | HAC | 67.9° | 49.8° |
CAF | CAD | CAC | HACA | 172.1° | 169.9° |
CAF | CAD | HAD | HADA | 117.2° | 120.0° |
CAD | CAF | HAF | HAFA | 119.1° | 120.5° |
CAE | CAH | CAI | CAF | 0.2° | 0.2° |
CAE | CAH | CAI | NAG | 179.5° | 179.8° |
CAE | CAH | CAB | HAB | 0.3° | 0.2° |
CAH | CAE | CAC | HAC | 73.8° | 70.2° |
CAH | CAE | CAC | HACA | 166.3° | 169.7° |
CAH | CAE | HAE | HAEA | 120.1° | 120.5° |
CAF | CAI | NAG | CAH | 179.3° | 180.0° |
CAI | CAF | CAD | HAD | 92.3° | 70.0° |
CAI | CAF | CAD | HADA | 147.7° | 170.0° |
CAI | CAF | HAF | HAFA | 119.1° | 120.5° |
CAF | CAI | NAG | HNAG | 0.4° | 0.2° |
CAI | NAG | CAA | HAA | 179.5° | 179.8° |
NAG | CAI | CAF | HAF | 58.6° | 43.6° |
NAG | CAI | CAF | HAFA | 61.4° | 76.9° |
CAI | CAH | CAB | HAB | 179.9° | 179.9° |
CAI | CAH | CAE | HAE | 142.2° | 136.2° |
CAI | CAH | CAE | HAEA | 97.7° | 103.3° |
CAH | CAI | CAF | HAF | 122.2° | 136.4° |
CAH | CAI | CAF | HAFA | 117.7° | 103.1° |
CAH | CAI | NAG | HNAG | 179.6° | 179.9° |
HAA | CAA | CAB | HAB | 0.4° | 0.3° |
HAA | CAA | NAG | HNAG | 0.4° | 0.2° |
HAC | CAC | CAD | HAD | 172.0° | 169.9° |
HAC | CAC | CAD | HADA | 52.1° | 70.2° |
HAC | CAC | CAE | HAE | 46.2° | 49.5° |
HAC | CAC | CAE | HAEA | 166.2° | 170.1° |
HACA | CAC | CAD | HAD | 52.1° | 70.0° |
HACA | CAC | CAD | HADA | 67.9° | 50.0° |
HACA | CAC | CAE | HAE | 73.8° | 70.6° |
HACA | CAC | CAE | HAEA | 46.3° | 50.0° |
HAD | CAD | CAF | HAF | 27.7° | 49.7° |
HAD | CAD | CAF | HAFA | 147.7° | 170.3° |
HADA | CAD | CAF | HAF | 92.3° | 70.3° |
HADA | CAD | CAF | HAFA | 27.7° | 50.2° |