RJN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAY | CAZ | sing | 1.38Å | 1.40Å | Aromatic |
| CAY | CAX | doub | 1.38Å | 1.40Å | Aromatic |
| CAZ | CBA | doub | 1.38Å | 1.39Å | Aromatic |
| CBA | CBB | sing | 1.38Å | 1.39Å | Aromatic |
| CBB | CBC | doub | 1.38Å | 1.40Å | Aromatic |
| CBC | CAX | sing | 1.38Å | 1.40Å | Aromatic |
| CAX | CAW | sing | 1.51Å | 1.40Å | |
| CAW | OAV | sing | 1.45Å | 1.47Å | |
| OAV | CAB | sing | 1.35Å | 1.40Å | |
| CAB | OAA | doub | 1.22Å | 1.24Å | |
| CAB | NAC | sing | 1.35Å | 1.34Å | |
| NAC | CAD | sing | 1.47Å | 1.49Å | |
| CAD | CAE | sing | 1.51Å | 1.41Å | |
| CAE | CAJ | sing | 1.38Å | 1.39Å | Aromatic |
| CAE | CAF | doub | 1.38Å | 1.41Å | Aromatic |
| CAJ | CAI | doub | 1.38Å | 1.39Å | Aromatic |
| CAI | CAH | sing | 1.40Å | 1.40Å | Aromatic |
| CAF | CAG | sing | 1.38Å | 1.39Å | Aromatic |
| CAG | CAH | doub | 1.40Å | 1.41Å | Aromatic |
| CAH | CAK | sing | 1.48Å | 1.42Å | |
| CAK | NAL | doub | 1.31Å | 1.35Å | |
| CAK | NAU | sing | 1.37Å | 1.43Å | |
| NAL | CAM | sing | 1.35Å | 1.35Å | |
| CAM | CAR | sing | 1.40Å | 1.41Å | Aromatic |
| CAM | CAN | doub | 1.41Å | 1.42Å | Aromatic |
| CAR | CAQ | doub | 1.37Å | 1.40Å | Aromatic |
| CAQ | CAP | sing | 1.39Å | 1.40Å | Aromatic |
| CAP | CAO | doub | 1.38Å | 1.41Å | Aromatic |
| CAO | CAN | sing | 1.39Å | 1.38Å | Aromatic |
| CAN | CAS | sing | 1.47Å | 1.37Å | |
| CAS | OAT | doub | 1.22Å | 1.21Å | |
| CAS | NAU | sing | 1.35Å | 1.40Å | |
| CAY | HAY | sing | 1.08Å | 1.08Å | |
| CAZ | HAZ | sing | 1.08Å | 1.08Å | |
| CBA | HBA | sing | 1.08Å | 1.08Å | |
| CBB | HBB | sing | 1.08Å | 1.08Å | |
| CBC | HBC | sing | 1.08Å | 1.08Å | |
| CAW | HAW1 | sing | 1.09Å | 1.10Å | |
| CAW | HAW2 | sing | 1.09Å | 1.10Å | |
| NAC | HAC | sing | 0.97Å | 1.00Å | |
| CAD | HAD1 | sing | 1.09Å | 1.10Å | |
| CAD | HAD2 | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| NAU | HAU | sing | 0.97Å | 1.00Å | |
| CAR | HAR | sing | 1.08Å | 1.08Å | |
| CAQ | HAQ | sing | 1.08Å | 1.08Å | |
| CAP | HAP | sing | 1.08Å | 1.08Å | |
| CAO | HAO | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAZ | CAY | CAX | 120.3° | 120.0° |
| CAY | CAZ | CBA | 120.5° | 120.0° |
| CAZ | CAY | HAY | 119.8° | 120.0° |
| CAY | CAZ | HAZ | 119.7° | 120.0° |
| CAY | CAX | CBC | 118.5° | 120.0° |
| CAY | CAX | CAW | 122.1° | 120.0° |
| CAX | CAY | HAY | 119.8° | 120.0° |
| CAZ | CBA | CBB | 119.6° | 120.0° |
| CBA | CAZ | HAZ | 119.7° | 120.0° |
| CAZ | CBA | HBA | 120.2° | 120.0° |
| CBA | CBB | CBC | 119.9° | 120.0° |
| CBB | CBA | HBA | 120.2° | 120.0° |
| CBA | CBB | HBB | 120.1° | 120.0° |
| CBB | CBC | CAX | 121.2° | 120.0° |
| CBC | CBB | HBB | 120.0° | 120.0° |
| CBB | CBC | HBC | 119.4° | 120.0° |
| CBC | CAX | CAW | 119.4° | 120.0° |
| CAX | CBC | HBC | 119.4° | 120.0° |
| CAX | CAW | OAV | 109.4° | 109.5° |
| CAX | CAW | HAW1 | 109.5° | 109.5° |
| CAX | CAW | HAW2 | 109.5° | 109.5° |
| CAW | OAV | CAB | 120.1° | 117.0° |
| OAV | CAW | HAW1 | 109.5° | 109.5° |
| OAV | CAW | HAW2 | 109.5° | 109.5° |
| OAV | CAB | OAA | 123.1° | 120.0° |
| OAV | CAB | NAC | 118.3° | 120.0° |
| OAA | CAB | NAC | 118.6° | 120.0° |
| CAB | NAC | CAD | 125.4° | 120.0° |
| CAB | NAC | HAC | 117.3° | 120.0° |
| NAC | CAD | CAE | 104.9° | 109.4° |
| CAD | NAC | HAC | 117.3° | 120.0° |
| NAC | CAD | HAD1 | 110.6° | 109.5° |
| NAC | CAD | HAD2 | 110.6° | 109.4° |
| CAD | CAE | CAJ | 119.4° | 119.9° |
| CAD | CAE | CAF | 122.0° | 119.8° |
| CAE | CAD | HAD1 | 110.6° | 109.5° |
| CAE | CAD | HAD2 | 110.6° | 109.5° |
| CAJ | CAE | CAF | 118.5° | 120.3° |
| CAE | CAJ | CAI | 120.9° | 120.1° |
| CAE | CAJ | HAJ | 119.5° | 120.0° |
| CAE | CAF | CAG | 120.5° | 120.1° |
| CAE | CAF | HAF | 119.7° | 120.0° |
| CAJ | CAI | CAH | 121.3° | 119.9° |
| CAI | CAJ | HAJ | 119.5° | 119.9° |
| CAJ | CAI | HAI | 119.3° | 120.1° |
| CAI | CAH | CAG | 117.7° | 119.7° |
| CAI | CAH | CAK | 118.5° | 120.2° |
| CAH | CAI | HAI | 119.4° | 120.1° |
| CAF | CAG | CAH | 121.1° | 119.8° |
| CAG | CAF | HAF | 119.8° | 119.9° |
| CAF | CAG | HAG | 119.5° | 120.1° |
| CAG | CAH | CAK | 123.8° | 120.1° |
| CAH | CAG | HAG | 119.5° | 120.1° |
| CAH | CAK | NAL | 117.8° | 118.5° |
| CAH | CAK | NAU | 123.7° | 118.5° |
| NAL | CAK | NAU | 118.5° | 123.1° |
| CAK | NAL | CAM | 121.1° | 121.7° |
| CAK | NAU | CAS | 121.0° | 120.4° |
| CAK | NAU | HAU | 119.5° | 119.8° |
| NAL | CAM | CAR | 118.2° | 121.6° |
| NAL | CAM | CAN | 121.5° | 119.1° |
| CAR | CAM | CAN | 120.3° | 119.3° |
| CAM | CAR | CAQ | 119.9° | 119.8° |
| CAM | CAR | HAR | 120.0° | 120.1° |
| CAM | CAN | CAO | 119.7° | 119.9° |
| CAM | CAN | CAS | 119.2° | 118.2° |
| CAR | CAQ | CAP | 118.8° | 121.0° |
| CAQ | CAR | HAR | 120.1° | 120.1° |
| CAR | CAQ | HAQ | 120.6° | 119.5° |
| CAQ | CAP | CAO | 121.7° | 120.6° |
| CAP | CAQ | HAQ | 120.6° | 119.5° |
| CAQ | CAP | HAP | 119.2° | 119.7° |
| CAP | CAO | CAN | 119.6° | 119.4° |
| CAO | CAP | HAP | 119.1° | 119.7° |
| CAP | CAO | HAO | 120.2° | 120.3° |
| CAO | CAN | CAS | 121.1° | 121.8° |
| CAN | CAO | HAO | 120.2° | 120.3° |
| CAN | CAS | OAT | 121.0° | 121.3° |
| CAN | CAS | NAU | 118.7° | 117.5° |
| OAT | CAS | NAU | 120.3° | 121.2° |
| CAS | NAU | HAU | 119.5° | 119.8° |
| HAW1 | CAW | HAW2 | 109.5° | 109.5° |
| HAD1 | CAD | HAD2 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAZ | CAY | CAX | HAY | 180.0° | 179.7° |
| CAY | CAZ | CBA | HAZ | 180.0° | 180.0° |
| CAY | CAZ | CBA | CBB | 0.4° | 0.1° |
| CAZ | CAY | CAX | CBC | 1.1° | 0.0° |
| CAZ | CAY | CAX | CAW | 179.7° | 180.0° |
| CAY | CAZ | CBA | HBA | 179.6° | 180.0° |
| CAX | CAY | CAZ | CBA | 0.3° | 0.0° |
| CAY | CAX | CBC | CBB | 1.2° | 0.1° |
| CAY | CAX | CBC | CAW | 178.6° | 179.9° |
| CAY | CAX | CAW | OAV | 96.2° | 90.0° |
| CAX | CAY | CAZ | HAZ | 179.6° | 180.0° |
| CAY | CAX | CBC | HBC | 178.8° | 180.0° |
| CAY | CAX | CAW | HAW1 | 143.8° | 150.0° |
| CAY | CAX | CAW | HAW2 | 23.8° | 30.0° |
| CAZ | CBA | CBB | HBA | 180.0° | 180.0° |
| CAZ | CBA | CBB | CBC | 0.4° | 0.0° |
| CBA | CAZ | CAY | HAY | 179.7° | 179.7° |
| CAZ | CBA | CBB | HBB | 179.6° | 180.0° |
| CBA | CBB | CBC | HBB | 180.0° | 179.9° |
| CBA | CBB | CBC | CAX | 0.4° | 0.0° |
| CBB | CBA | CAZ | HAZ | 179.6° | 180.0° |
| CBA | CBB | CBC | HBC | 179.5° | 180.0° |
| CBB | CBC | CAX | HBC | 180.0° | 179.9° |
| CBB | CBC | CAX | CAW | 179.8° | 180.0° |
| CBC | CBB | CBA | HBA | 179.6° | 180.0° |
| CBC | CAX | CAW | OAV | 85.2° | 90.1° |
| CBC | CAX | CAY | HAY | 178.9° | 179.7° |
| CAX | CBC | CBB | HBB | 179.6° | 179.9° |
| CBC | CAX | CAW | HAW1 | 34.7° | 29.9° |
| CBC | CAX | CAW | HAW2 | 154.8° | 149.9° |
| CAX | CAW | OAV | HAW1 | 120.0° | 120.0° |
| CAX | CAW | OAV | HAW2 | 120.0° | 120.0° |
| CAX | CAW | OAV | CAB | 127.3° | 180.0° |
| CAW | CAX | CAY | HAY | 0.3° | 0.2° |
| CAW | CAX | CBC | HBC | 0.2° | 0.1° |
| CAX | CAW | HAW1 | HAW2 | 120.1° | 120.0° |
| CAW | OAV | CAB | OAA | 0.4° | 0.1° |
| CAW | OAV | CAB | NAC | 178.9° | 180.0° |
| OAV | CAW | HAW1 | HAW2 | 120.0° | 120.0° |
| OAV | CAB | OAA | NAC | 179.3° | 179.9° |
| OAV | CAB | NAC | CAD | 178.9° | 180.0° |
| CAB | OAV | CAW | HAW1 | 7.3° | 60.0° |
| CAB | OAV | CAW | HAW2 | 112.7° | 60.0° |
| OAV | CAB | NAC | HAC | 1.1° | 0.1° |
| OAA | CAB | NAC | CAD | 1.8° | 0.1° |
| OAA | CAB | NAC | HAC | 178.2° | 180.0° |
| CAB | NAC | CAD | HAC | 180.0° | 179.9° |
| CAB | NAC | CAD | CAE | 157.0° | 179.9° |
| CAB | NAC | CAD | HAD1 | 83.7° | 60.0° |
| CAB | NAC | CAD | HAD2 | 37.7° | 60.1° |
| NAC | CAD | CAE | HAD1 | 119.3° | 120.0° |
| NAC | CAD | CAE | HAD2 | 119.3° | 119.9° |
| NAC | CAD | CAE | CAJ | 91.4° | 90.1° |
| NAC | CAD | CAE | CAF | 85.3° | 90.3° |
| NAC | CAD | HAD1 | HAD2 | 122.1° | 120.0° |
| CAD | CAE | CAJ | CAF | 176.8° | 179.7° |
| CAD | CAE | CAJ | CAI | 178.6° | 180.0° |
| CAD | CAE | CAF | CAG | 178.1° | 180.0° |
| CAE | CAD | NAC | HAC | 23.0° | 0.1° |
| CAE | CAD | HAD1 | HAD2 | 122.1° | 120.1° |
| CAD | CAE | CAJ | HAJ | 1.4° | 0.0° |
| CAD | CAE | CAF | HAF | 1.9° | 0.1° |
| CAE | CAJ | CAI | HAJ | 180.0° | 179.9° |
| CAE | CAJ | CAI | CAH | 1.5° | 0.1° |
| CAJ | CAE | CAF | CAG | 1.4° | 0.3° |
| CAJ | CAE | CAD | HAD1 | 149.3° | 29.9° |
| CAJ | CAE | CAD | HAD2 | 27.9° | 150.0° |
| CAJ | CAE | CAF | HAF | 178.6° | 179.7° |
| CAE | CAJ | CAI | HAI | 178.5° | 179.9° |
| CAF | CAE | CAJ | CAI | 1.9° | 0.4° |
| CAE | CAF | CAG | HAF | 180.0° | 179.9° |
| CAE | CAF | CAG | CAH | 0.6° | 0.0° |
| CAF | CAE | CAD | HAD1 | 34.0° | 149.8° |
| CAF | CAE | CAD | HAD2 | 155.4° | 29.6° |
| CAF | CAE | CAJ | HAJ | 178.2° | 179.7° |
| CAE | CAF | CAG | HAG | 179.4° | 179.9° |
| CAJ | CAI | CAH | HAI | 180.0° | 180.0° |
| CAJ | CAI | CAH | CAG | 0.7° | 0.2° |
| CAJ | CAI | CAH | CAK | 179.9° | 180.0° |
| CAI | CAH | CAG | CAF | 0.3° | 0.2° |
| CAI | CAH | CAG | CAK | 179.4° | 179.8° |
| CAI | CAH | CAK | NAL | 7.8° | 0.0° |
| CAI | CAH | CAK | NAU | 171.7° | 179.8° |
| CAH | CAI | CAJ | HAJ | 178.5° | 180.0° |
| CAI | CAH | CAG | HAG | 179.7° | 179.7° |
| CAF | CAG | CAH | HAG | 180.0° | 179.9° |
| CAF | CAG | CAH | CAK | 179.7° | 180.0° |
| CAG | CAH | CAK | NAL | 171.6° | 179.8° |
| CAG | CAH | CAK | NAU | 8.9° | 0.0° |
| CAH | CAG | CAF | HAF | 179.3° | 180.0° |
| CAG | CAH | CAI | HAI | 179.3° | 179.8° |
| CAH | CAK | NAL | NAU | 179.6° | 179.7° |
| CAH | CAK | NAL | CAM | 179.9° | 180.0° |
| CAH | CAK | NAU | CAS | 179.6° | 179.7° |
| CAK | CAH | CAI | HAI | 0.1° | 0.0° |
| CAK | CAH | CAG | HAG | 0.3° | 0.1° |
| CAH | CAK | NAU | HAU | 0.4° | 0.0° |
| CAK | NAL | CAM | CAR | 178.8° | 180.0° |
| CAK | NAL | CAM | CAN | 0.4° | 0.0° |
| NAL | CAK | NAU | CAS | 0.1° | 0.5° |
| NAL | CAK | NAU | HAU | 179.9° | 179.7° |
| NAU | CAK | NAL | CAM | 0.4° | 0.3° |
| CAK | NAU | CAS | CAN | 0.2° | 0.5° |
| CAK | NAU | CAS | OAT | 179.7° | 179.8° |
| CAK | NAU | CAS | HAU | 180.0° | 179.8° |
| NAL | CAM | CAR | CAN | 179.2° | 180.0° |
| NAL | CAM | CAR | CAQ | 179.1° | 180.0° |
| NAL | CAM | CAN | CAO | 179.0° | 180.0° |
| NAL | CAM | CAN | CAS | 0.1° | 0.0° |
| NAL | CAM | CAR | HAR | 0.9° | 0.0° |
| CAM | CAR | CAQ | HAR | 180.0° | 179.9° |
| CAM | CAR | CAQ | CAP | 0.2° | 0.0° |
| CAR | CAM | CAN | CAO | 0.2° | 0.0° |
| CAR | CAM | CAN | CAS | 179.0° | 180.0° |
| CAM | CAR | CAQ | HAQ | 179.8° | 180.0° |
| CAN | CAM | CAR | CAQ | 0.1° | 0.0° |
| CAM | CAN | CAO | CAP | 0.4° | 0.0° |
| CAM | CAN | CAO | CAS | 178.8° | 180.0° |
| CAM | CAN | CAS | OAT | 179.7° | 180.0° |
| CAM | CAN | CAS | NAU | 0.2° | 0.2° |
| CAN | CAM | CAR | HAR | 179.9° | 179.9° |
| CAM | CAN | CAO | HAO | 179.6° | 180.0° |
| CAR | CAQ | CAP | HAQ | 180.0° | 180.0° |
| CAR | CAQ | CAP | CAO | 0.4° | 0.0° |
| CAR | CAQ | CAP | HAP | 179.6° | 180.0° |
| CAQ | CAP | CAO | HAP | 180.0° | 180.0° |
| CAQ | CAP | CAO | CAN | 0.5° | 0.0° |
| CAP | CAQ | CAR | HAR | 179.8° | 179.9° |
| CAQ | CAP | CAO | HAO | 179.5° | 180.0° |
| CAP | CAO | CAN | HAO | 180.0° | 180.0° |
| CAP | CAO | CAN | CAS | 179.2° | 180.0° |
| CAO | CAP | CAQ | HAQ | 179.6° | 180.0° |
| CAO | CAN | CAS | OAT | 1.5° | 0.0° |
| CAO | CAN | CAS | NAU | 178.6° | 179.8° |
| CAN | CAO | CAP | HAP | 179.5° | 180.0° |
| CAN | CAS | OAT | NAU | 179.9° | 179.7° |
| CAN | CAS | NAU | HAU | 179.8° | 179.7° |
| CAS | CAN | CAO | HAO | 0.8° | 0.0° |
| OAT | CAS | NAU | HAU | 0.3° | 0.0° |
| HAY | CAY | CAZ | HAZ | 0.4° | 0.3° |
| HAZ | CAZ | CBA | HBA | 0.4° | 0.0° |
| HBA | CBA | CBB | HBB | 0.4° | 0.1° |
| HBB | CBB | CBC | HBC | 0.4° | 0.0° |
| HAC | NAC | CAD | HAD1 | 96.3° | 119.9° |
| HAC | NAC | CAD | HAD2 | 142.3° | 120.0° |
| HAJ | CAJ | CAI | HAI | 1.5° | 0.0° |
| HAF | CAF | CAG | HAG | 0.7° | 0.1° |
| HAR | CAR | CAQ | HAQ | 0.1° | 0.1° |
| HAQ | CAQ | CAP | HAP | 0.3° | 0.0° |
| HAP | CAP | CAO | HAO | 0.5° | 0.0° |
