NR9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAD | doub | 1.36Å | 1.39Å | Aromatic |
| CAA | CAB | sing | 1.41Å | 1.38Å | Aromatic |
| CAA | HAA | sing | 1.08Å | 1.08Å | |
| CAK | CAB | sing | 1.47Å | 1.37Å | |
| CAB | CAC | doub | 1.39Å | 1.38Å | Aromatic |
| CAC | CAF | sing | 1.40Å | 1.39Å | Aromatic |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAD | CAE | sing | 1.41Å | 1.38Å | Aromatic |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAE | NAG | doub | 1.34Å | 1.33Å | Aromatic |
| CAE | CAF | sing | 1.42Å | 1.39Å | Aromatic |
| CAF | CAI | doub | 1.41Å | 1.38Å | Aromatic |
| NAG | CAH | sing | 1.31Å | 1.32Å | Aromatic |
| CAH | CAJ | doub | 1.39Å | 1.39Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAI | CAJ | sing | 1.37Å | 1.38Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAL | CAK | doub | 1.36Å | 1.39Å | |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAM | CAL | sing | 1.47Å | 1.40Å | |
| CAL | SAP | sing | 1.78Å | 1.67Å | |
| NAN | CAM | sing | 1.31Å | 1.35Å | |
| OAQ | CAM | doub | 1.22Å | 1.24Å | |
| NAN | CAO | doub | 1.31Å | 1.34Å | |
| NAR | CAO | sing | 1.37Å | 1.32Å | |
| CAO | SAP | sing | 1.77Å | 1.68Å | |
| CAS | NAR | sing | 1.46Å | 1.46Å | |
| NAR | HNAR | sing | 0.97Å | 1.00Å | |
| CAS | CAT | sing | 1.51Å | 1.51Å | |
| CAS | HAS | sing | 1.09Å | 1.10Å | |
| CAS | HASA | sing | 1.09Å | 1.10Å | |
| CAX | CAT | doub | 1.33Å | 1.34Å | Aromatic |
| CAT | SAU | sing | 1.76Å | 1.71Å | Aromatic |
| SAU | CAV | sing | 1.76Å | 1.69Å | Aromatic |
| CAW | CAV | doub | 1.33Å | 1.36Å | Aromatic |
| CAV | HAV | sing | 1.08Å | 1.08Å | |
| CAX | CAW | sing | 1.38Å | 1.34Å | Aromatic |
| CAW | HAW | sing | 1.08Å | 1.08Å | |
| CAX | HAX | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAD | CAA | CAB | 121.4° | 120.9° |
| CAD | CAA | HAA | 119.3° | 119.6° |
| CAA | CAD | CAE | 118.5° | 120.2° |
| CAA | CAD | HAD | 120.8° | 119.9° |
| CAB | CAA | HAA | 119.3° | 119.5° |
| CAA | CAB | CAK | 116.6° | 119.8° |
| CAA | CAB | CAC | 120.3° | 120.3° |
| CAK | CAB | CAC | 123.1° | 119.8° |
| CAB | CAK | CAL | 126.6° | 120.0° |
| CAB | CAK | HAK | 116.7° | 120.0° |
| CAB | CAC | CAF | 118.5° | 119.4° |
| CAB | CAC | HAC | 120.7° | 120.3° |
| CAF | CAC | HAC | 120.7° | 120.3° |
| CAC | CAF | CAE | 121.3° | 119.8° |
| CAC | CAF | CAI | 119.6° | 121.2° |
| CAE | CAD | HAD | 120.7° | 119.9° |
| CAD | CAE | NAG | 118.7° | 120.8° |
| CAD | CAE | CAF | 119.8° | 119.4° |
| NAG | CAE | CAF | 121.4° | 119.8° |
| CAE | NAG | CAH | 120.1° | 121.4° |
| CAE | CAF | CAI | 119.1° | 119.0° |
| CAF | CAI | CAJ | 118.4° | 118.1° |
| CAF | CAI | HAI | 120.8° | 120.9° |
| NAG | CAH | CAJ | 121.3° | 121.8° |
| NAG | CAH | HAH | 119.4° | 119.1° |
| CAJ | CAH | HAH | 119.3° | 119.1° |
| CAH | CAJ | CAI | 119.7° | 119.9° |
| CAH | CAJ | HAJ | 120.2° | 120.1° |
| CAJ | CAI | HAI | 120.8° | 120.9° |
| CAI | CAJ | HAJ | 120.1° | 120.0° |
| CAL | CAK | HAK | 116.7° | 120.0° |
| CAK | CAL | CAM | 123.7° | 128.2° |
| CAK | CAL | SAP | 127.7° | 128.2° |
| CAM | CAL | SAP | 108.6° | 103.6° |
| CAL | CAM | NAN | 113.8° | 114.7° |
| CAL | CAM | OAQ | 123.7° | 122.7° |
| CAL | SAP | CAO | 93.2° | 94.3° |
| NAN | CAM | OAQ | 122.4° | 122.6° |
| CAM | NAN | CAO | 113.1° | 120.4° |
| NAN | CAO | NAR | 123.6° | 126.5° |
| NAN | CAO | SAP | 111.3° | 107.0° |
| NAR | CAO | SAP | 125.1° | 126.5° |
| CAO | NAR | CAS | 119.4° | 120.0° |
| CAO | NAR | HNAR | 120.3° | 119.9° |
| CAS | NAR | HNAR | 120.3° | 120.0° |
| NAR | CAS | CAT | 107.4° | 109.5° |
| NAR | CAS | HAS | 110.2° | 109.5° |
| NAR | CAS | HASA | 110.2° | 109.4° |
| CAT | CAS | HAS | 110.2° | 109.5° |
| CAT | CAS | HASA | 110.2° | 109.5° |
| CAS | CAT | CAX | 127.6° | 125.2° |
| CAS | CAT | SAU | 122.2° | 125.2° |
| HAS | CAS | HASA | 108.7° | 109.4° |
| CAX | CAT | SAU | 110.2° | 109.6° |
| CAT | CAX | CAW | 112.7° | 114.9° |
| CAT | CAX | HAX | 123.6° | 122.5° |
| CAT | SAU | CAV | 92.6° | 91.0° |
| SAU | CAV | CAW | 108.4° | 109.6° |
| SAU | CAV | HAV | 125.8° | 125.2° |
| CAW | CAV | HAV | 125.8° | 125.2° |
| CAV | CAW | CAX | 116.0° | 114.9° |
| CAV | CAW | HAW | 122.0° | 122.6° |
| CAX | CAW | HAW | 122.0° | 122.5° |
| CAW | CAX | HAX | 123.6° | 122.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAD | CAA | CAB | HAA | 180.0° | 179.8° |
| CAD | CAA | CAB | CAK | 178.8° | 180.0° |
| CAD | CAA | CAB | CAC | 0.2° | 0.1° |
| CAA | CAD | CAE | HAD | 180.0° | 179.9° |
| CAA | CAD | CAE | NAG | 179.6° | 180.0° |
| CAA | CAD | CAE | CAF | 0.3° | 0.1° |
| CAA | CAB | CAK | CAC | 178.5° | 180.0° |
| CAA | CAB | CAC | CAF | 0.3° | 0.1° |
| CAA | CAB | CAC | HAC | 179.7° | 180.0° |
| CAB | CAA | CAD | CAE | 0.3° | 0.1° |
| CAB | CAA | CAD | HAD | 179.8° | 180.0° |
| CAA | CAB | CAK | CAL | 152.9° | 158.6° |
| CAA | CAB | CAK | HAK | 27.1° | 21.4° |
| HAA | CAA | CAB | CAK | 1.2° | 0.2° |
| HAA | CAA | CAB | CAC | 179.7° | 179.7° |
| HAA | CAA | CAD | CAE | 179.7° | 179.7° |
| HAA | CAA | CAD | HAD | 0.3° | 0.2° |
| CAK | CAB | CAC | CAF | 178.7° | 180.0° |
| CAK | CAB | CAC | HAC | 1.2° | 0.0° |
| CAB | CAK | CAL | HAK | 180.0° | 180.0° |
| CAB | CAK | CAL | CAM | 167.5° | 173.2° |
| CAB | CAK | CAL | SAP | 13.5° | 7.2° |
| CAB | CAC | CAF | HAC | 180.0° | 179.9° |
| CAB | CAC | CAF | CAE | 0.4° | 0.1° |
| CAB | CAC | CAF | CAI | 179.9° | 180.0° |
| CAC | CAB | CAK | CAL | 28.5° | 21.4° |
| CAC | CAB | CAK | HAK | 151.4° | 158.7° |
| CAC | CAF | CAE | CAD | 0.4° | 0.1° |
| CAC | CAF | CAE | NAG | 179.6° | 180.0° |
| CAC | CAF | CAE | CAI | 179.5° | 179.9° |
| CAC | CAF | CAI | CAJ | 179.4° | 179.9° |
| CAC | CAF | CAI | HAI | 0.6° | 0.0° |
| HAC | CAC | CAF | CAE | 179.6° | 180.0° |
| HAC | CAC | CAF | CAI | 0.1° | 0.1° |
| CAD | CAE | NAG | CAF | 179.2° | 179.9° |
| CAD | CAE | CAF | CAI | 179.9° | 180.0° |
| CAD | CAE | NAG | CAH | 179.3° | 180.0° |
| HAD | CAD | CAE | NAG | 0.4° | 0.0° |
| HAD | CAD | CAE | CAF | 179.7° | 180.0° |
| NAG | CAE | CAF | CAI | 0.8° | 0.0° |
| CAE | NAG | CAH | CAJ | 0.5° | 0.0° |
| CAE | NAG | CAH | HAH | 179.5° | 180.0° |
| CAF | CAE | NAG | CAH | 0.0° | 0.1° |
| CAE | CAF | CAI | CAJ | 1.0° | 0.1° |
| CAE | CAF | CAI | HAI | 178.9° | 179.9° |
| CAF | CAI | CAJ | CAH | 0.5° | 0.1° |
| CAF | CAI | CAJ | HAI | 180.0° | 179.9° |
| CAF | CAI | CAJ | HAJ | 179.4° | 180.0° |
| NAG | CAH | CAJ | HAH | 180.0° | 180.0° |
| NAG | CAH | CAJ | CAI | 0.2° | 0.1° |
| NAG | CAH | CAJ | HAJ | 179.8° | 180.0° |
| CAH | CAJ | CAI | HAJ | 180.0° | 179.9° |
| CAH | CAJ | CAI | HAI | 179.4° | 180.0° |
| HAH | CAH | CAJ | CAI | 179.8° | 179.9° |
| HAH | CAH | CAJ | HAJ | 0.2° | 0.0° |
| HAI | CAI | CAJ | HAJ | 0.6° | 0.1° |
| CAK | CAL | CAM | SAP | 179.2° | 179.7° |
| CAK | CAL | CAM | NAN | 179.6° | 180.0° |
| CAK | CAL | CAM | OAQ | 1.2° | 0.0° |
| CAK | CAL | SAP | CAO | 179.6° | 180.0° |
| HAK | CAK | CAL | CAM | 12.5° | 6.9° |
| HAK | CAK | CAL | SAP | 166.5° | 172.8° |
| CAL | CAM | NAN | OAQ | 179.2° | 179.9° |
| CAL | CAM | NAN | CAO | 0.1° | 0.1° |
| CAM | CAL | SAP | CAO | 0.5° | 0.3° |
| SAP | CAL | CAM | NAN | 0.4° | 0.3° |
| SAP | CAL | CAM | OAQ | 179.6° | 179.7° |
| CAL | SAP | CAO | NAN | 0.5° | 0.3° |
| CAL | SAP | CAO | NAR | 178.1° | 179.8° |
| CAM | NAN | CAO | NAR | 178.3° | 180.0° |
| CAM | NAN | CAO | SAP | 0.3° | 0.2° |
| OAQ | CAM | NAN | CAO | 179.3° | 180.0° |
| NAN | CAO | NAR | SAP | 178.3° | 179.8° |
| NAN | CAO | NAR | CAS | 151.1° | 0.1° |
| NAN | CAO | NAR | HNAR | 28.9° | 179.9° |
| CAO | NAR | CAS | HNAR | 180.0° | 180.0° |
| CAO | NAR | CAS | CAT | 127.6° | 180.0° |
| CAO | NAR | CAS | HAS | 7.6° | 59.9° |
| CAO | NAR | CAS | HASA | 112.4° | 59.9° |
| SAP | CAO | NAR | CAS | 27.2° | 179.7° |
| SAP | CAO | NAR | HNAR | 152.8° | 0.3° |
| NAR | CAS | CAT | HAS | 120.0° | 120.0° |
| NAR | CAS | CAT | HASA | 120.0° | 120.0° |
| NAR | CAS | HAS | HASA | 120.8° | 119.9° |
| NAR | CAS | CAT | CAX | 92.4° | 89.7° |
| NAR | CAS | CAT | SAU | 86.8° | 89.9° |
| HNAR | NAR | CAS | CAT | 52.4° | 0.0° |
| HNAR | NAR | CAS | HAS | 172.4° | 120.1° |
| HNAR | NAR | CAS | HASA | 67.6° | 120.1° |
| CAT | CAS | HAS | HASA | 120.9° | 120.0° |
| CAS | CAT | CAX | SAU | 179.3° | 179.7° |
| CAS | CAT | SAU | CAV | 179.9° | 179.9° |
| CAS | CAT | CAX | CAW | 179.7° | 179.9° |
| CAS | CAT | CAX | HAX | 0.3° | 0.1° |
| HAS | CAS | CAT | CAX | 147.6° | 30.4° |
| HAS | CAS | CAT | SAU | 33.2° | 150.0° |
| HASA | CAS | CAT | CAX | 27.6° | 150.4° |
| HASA | CAS | CAT | SAU | 153.2° | 30.0° |
| CAX | CAT | SAU | CAV | 0.6° | 0.3° |
| CAT | CAX | CAW | CAV | 0.1° | 0.5° |
| CAT | CAX | CAW | HAX | 180.0° | 179.8° |
| CAT | CAX | CAW | HAW | 179.9° | 179.8° |
| CAT | SAU | CAV | CAW | 0.6° | 0.0° |
| CAT | SAU | CAV | HAV | 179.4° | 180.0° |
| SAU | CAT | CAX | CAW | 0.4° | 0.5° |
| SAU | CAT | CAX | HAX | 179.6° | 179.8° |
| SAU | CAV | CAW | HAV | 180.0° | 180.0° |
| SAU | CAV | CAW | CAX | 0.5° | 0.3° |
| SAU | CAV | CAW | HAW | 179.5° | 180.0° |
| CAV | CAW | CAX | HAW | 180.0° | 179.7° |
| CAV | CAW | CAX | HAX | 179.9° | 179.7° |
| HAV | CAV | CAW | CAX | 179.5° | 179.7° |
| HAV | CAV | CAW | HAW | 0.5° | 0.0° |
| HAW | CAW | CAX | HAX | 0.1° | 0.0° |
