LRG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAC | CAF | doub | 1.38Å | 1.39Å | Aromatic |
| CAC | CAE | sing | 1.38Å | 1.39Å | Aromatic |
| CAF | CAJ | sing | 1.38Å | 1.39Å | Aromatic |
| CAE | CAI | doub | 1.38Å | 1.39Å | Aromatic |
| CAJ | CAT | doub | 1.38Å | 1.39Å | Aromatic |
| CAI | CAT | sing | 1.38Å | 1.39Å | Aromatic |
| CAT | CAQ | sing | 1.51Å | 1.53Å | |
| CAG | CAD | doub | 1.38Å | 1.39Å | Aromatic |
| CAG | CAK | sing | 1.38Å | 1.39Å | Aromatic |
| CAD | CAH | sing | 1.38Å | 1.39Å | Aromatic |
| CAO | CAM | doub | 1.38Å | 1.39Å | Aromatic |
| CAO | CAW | sing | 1.39Å | 1.39Å | Aromatic |
| CAK | CAV | doub | 1.39Å | 1.39Å | Aromatic |
| CAM | CAU | sing | 1.39Å | 1.39Å | Aromatic |
| CAH | CAL | doub | 1.38Å | 1.39Å | Aromatic |
| CAV | CAL | sing | 1.39Å | 1.39Å | Aromatic |
| CAV | CAW | sing | 1.48Å | 1.39Å | Aromatic |
| OAR | CAU | sing | 1.36Å | 1.37Å | |
| OAR | CAX | sing | 1.43Å | 1.44Å | |
| CAW | CAP | doub | 1.39Å | 1.40Å | Aromatic |
| CAU | CAN | doub | 1.39Å | 1.39Å | Aromatic |
| CAP | CAN | sing | 1.38Å | 1.39Å | Aromatic |
| CAQ | CAX | sing | 1.53Å | 1.53Å | |
| CAX | CAS | sing | 1.51Å | 1.53Å | |
| CAS | OAA | doub | 1.21Å | 1.25Å | |
| CAS | OAB | sing | 1.34Å | 1.25Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAQ | HAQ | sing | 1.09Å | 1.10Å | |
| CAQ | HAQA | sing | 1.09Å | 1.10Å | |
| CAX | HAX | sing | 1.09Å | 1.10Å | |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| CAP | HAP | sing | 1.08Å | 1.08Å | |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAO | HAO | sing | 1.08Å | 1.08Å | |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| OAB | HAB | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAF | CAC | CAE | 120.1° | 120.0° |
| CAC | CAF | CAJ | 120.0° | 120.0° |
| CAF | CAC | HAC | 120.0° | 120.0° |
| CAC | CAF | HAF | 120.0° | 120.0° |
| CAC | CAE | CAI | 119.9° | 120.0° |
| CAC | CAE | HAE | 120.1° | 119.9° |
| CAE | CAC | HAC | 120.0° | 120.0° |
| CAF | CAJ | CAT | 120.1° | 120.0° |
| CAJ | CAF | HAF | 120.0° | 120.0° |
| CAF | CAJ | HAJ | 119.9° | 120.0° |
| CAE | CAI | CAT | 120.1° | 120.0° |
| CAE | CAI | HAI | 120.0° | 120.0° |
| CAI | CAE | HAE | 120.1° | 120.1° |
| CAJ | CAT | CAI | 119.9° | 120.0° |
| CAJ | CAT | CAQ | 120.0° | 120.0° |
| CAT | CAJ | HAJ | 120.0° | 120.0° |
| CAI | CAT | CAQ | 120.1° | 120.0° |
| CAT | CAI | HAI | 120.0° | 120.0° |
| CAT | CAQ | CAX | 111.5° | 109.5° |
| CAT | CAQ | HAQ | 108.8° | 109.5° |
| CAT | CAQ | HAQA | 108.3° | 109.5° |
| CAD | CAG | CAK | 119.9° | 120.1° |
| CAG | CAD | CAH | 120.0° | 120.3° |
| CAD | CAG | HAG | 120.0° | 119.9° |
| CAG | CAD | HAD | 120.0° | 119.9° |
| CAG | CAK | CAV | 120.7° | 119.9° |
| CAG | CAK | HAK | 119.7° | 120.1° |
| CAK | CAG | HAG | 120.0° | 120.0° |
| CAD | CAH | CAL | 119.8° | 120.1° |
| CAH | CAD | HAD | 120.0° | 119.9° |
| CAD | CAH | HAH | 120.1° | 119.9° |
| CAM | CAO | CAW | 120.8° | 119.9° |
| CAO | CAM | CAU | 120.1° | 120.1° |
| CAO | CAM | HAM | 119.9° | 120.0° |
| CAM | CAO | HAO | 119.6° | 120.0° |
| CAO | CAW | CAV | 120.5° | 120.1° |
| CAO | CAW | CAP | 118.7° | 119.8° |
| CAW | CAO | HAO | 119.6° | 120.1° |
| CAK | CAV | CAL | 118.9° | 119.7° |
| CAK | CAV | CAW | 120.6° | 120.1° |
| CAV | CAK | HAK | 119.6° | 120.0° |
| CAM | CAU | OAR | 118.3° | 120.0° |
| CAM | CAU | CAN | 119.4° | 120.1° |
| CAU | CAM | HAM | 119.9° | 120.0° |
| CAH | CAL | CAV | 120.7° | 119.9° |
| CAL | CAH | HAH | 120.1° | 120.0° |
| CAH | CAL | HAL | 119.7° | 120.1° |
| CAL | CAV | CAW | 120.5° | 120.1° |
| CAV | CAL | HAL | 119.6° | 120.1° |
| CAV | CAW | CAP | 120.7° | 120.1° |
| CAU | OAR | CAX | 117.0° | 117.0° |
| OAR | CAU | CAN | 122.2° | 119.9° |
| OAR | CAX | CAQ | 108.3° | 109.5° |
| OAR | CAX | CAS | 112.2° | 109.5° |
| OAR | CAX | HAX | 108.1° | 109.4° |
| CAW | CAP | CAN | 120.7° | 120.0° |
| CAW | CAP | HAP | 119.7° | 120.0° |
| CAU | CAN | CAP | 120.3° | 120.0° |
| CAU | CAN | HAN | 119.9° | 120.0° |
| CAP | CAN | HAN | 119.9° | 120.0° |
| CAN | CAP | HAP | 119.7° | 120.1° |
| CAQ | CAX | CAS | 108.4° | 109.5° |
| CAX | CAQ | HAQ | 108.8° | 109.5° |
| CAX | CAQ | HAQA | 108.3° | 109.4° |
| CAQ | CAX | HAX | 111.9° | 109.5° |
| CAX | CAS | OAA | 118.0° | 120.0° |
| CAX | CAS | OAB | 117.3° | 120.0° |
| CAS | CAX | HAX | 108.0° | 109.4° |
| OAA | CAS | OAB | 124.6° | 120.0° |
| CAS | OAB | HAB | 109.5° | 117.0° |
| HAQ | CAQ | HAQA | 111.1° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAF | CAC | CAE | HAC | 180.0° | 179.9° |
| CAC | CAF | CAJ | HAF | 180.0° | 179.9° |
| CAF | CAC | CAE | CAI | 0.2° | 0.0° |
| CAC | CAF | CAJ | CAT | 0.1° | 0.1° |
| CAF | CAC | CAE | HAE | 179.8° | 180.0° |
| CAC | CAF | CAJ | HAJ | 179.9° | 180.0° |
| CAE | CAC | CAF | CAJ | 0.1° | 0.1° |
| CAC | CAE | CAI | HAE | 180.0° | 179.9° |
| CAC | CAE | CAI | CAT | 0.1° | 0.0° |
| CAC | CAE | CAI | HAI | 179.9° | 179.7° |
| CAE | CAC | CAF | HAF | 179.9° | 179.9° |
| CAF | CAJ | CAT | HAJ | 180.0° | 180.0° |
| CAF | CAJ | CAT | CAI | 0.1° | 0.0° |
| CAF | CAJ | CAT | CAQ | 178.9° | 179.7° |
| CAJ | CAF | CAC | HAC | 179.9° | 179.9° |
| CAE | CAI | CAT | CAJ | 0.0° | 0.0° |
| CAE | CAI | CAT | HAI | 180.0° | 179.7° |
| CAE | CAI | CAT | CAQ | 179.0° | 179.7° |
| CAI | CAE | CAC | HAC | 179.9° | 179.9° |
| CAJ | CAT | CAI | CAQ | 179.0° | 179.7° |
| CAJ | CAT | CAQ | CAX | 78.4° | 90.3° |
| CAJ | CAT | CAI | HAI | 180.0° | 179.7° |
| CAT | CAJ | CAF | HAF | 179.9° | 179.9° |
| CAJ | CAT | CAQ | HAQ | 161.6° | 29.7° |
| CAJ | CAT | CAQ | HAQA | 40.7° | 149.7° |
| CAI | CAT | CAQ | CAX | 100.6° | 90.0° |
| CAT | CAI | CAE | HAE | 179.9° | 180.0° |
| CAI | CAT | CAJ | HAJ | 179.9° | 180.0° |
| CAI | CAT | CAQ | HAQ | 19.4° | 150.0° |
| CAI | CAT | CAQ | HAQA | 140.3° | 30.0° |
| CAT | CAQ | CAX | OAR | 57.4° | 64.9° |
| CAT | CAQ | CAX | HAQ | 120.0° | 120.1° |
| CAT | CAQ | CAX | HAQA | 119.1° | 120.0° |
| CAT | CAQ | CAX | CAS | 179.4° | 175.0° |
| CAQ | CAT | CAI | HAI | 1.0° | 0.0° |
| CAQ | CAT | CAJ | HAJ | 1.1° | 0.3° |
| CAT | CAQ | HAQ | HAQA | 119.2° | 120.0° |
| CAT | CAQ | CAX | HAX | 61.6° | 55.0° |
| CAD | CAG | CAK | HAG | 180.0° | 179.9° |
| CAG | CAD | CAH | HAD | 180.0° | 180.0° |
| CAD | CAG | CAK | CAV | 0.0° | 0.1° |
| CAG | CAD | CAH | CAL | 0.1° | 0.0° |
| CAD | CAG | CAK | HAK | 180.0° | 179.9° |
| CAG | CAD | CAH | HAH | 179.9° | 179.9° |
| CAK | CAG | CAD | CAH | 0.1° | 0.1° |
| CAG | CAK | CAV | HAK | 180.0° | 179.9° |
| CAG | CAK | CAV | CAL | 0.2° | 0.1° |
| CAG | CAK | CAV | CAW | 178.9° | 179.8° |
| CAK | CAG | CAD | HAD | 179.9° | 179.9° |
| CAD | CAH | CAL | HAH | 180.0° | 179.9° |
| CAD | CAH | CAL | CAV | 0.1° | 0.0° |
| CAH | CAD | CAG | HAG | 179.9° | 180.0° |
| CAD | CAH | CAL | HAL | 179.9° | 179.7° |
| CAM | CAO | CAW | HAO | 180.0° | 180.0° |
| CAO | CAM | CAU | HAM | 180.0° | 180.0° |
| CAM | CAO | CAW | CAV | 175.5° | 180.0° |
| CAO | CAM | CAU | OAR | 176.2° | 180.0° |
| CAM | CAO | CAW | CAP | 0.6° | 0.3° |
| CAO | CAM | CAU | CAN | 1.0° | 0.3° |
| CAO | CAW | CAV | CAK | 11.8° | 0.3° |
| CAW | CAO | CAM | CAU | 0.3° | 0.0° |
| CAO | CAW | CAV | CAL | 167.3° | 180.0° |
| CAO | CAW | CAV | CAP | 176.0° | 179.8° |
| CAO | CAW | CAP | CAN | 0.8° | 0.3° |
| CAO | CAW | CAP | HAP | 179.2° | 179.7° |
| CAW | CAO | CAM | HAM | 179.7° | 180.0° |
| CAK | CAV | CAL | CAH | 0.2° | 0.0° |
| CAK | CAV | CAL | CAW | 179.1° | 179.7° |
| CAK | CAV | CAW | CAP | 172.1° | 179.9° |
| CAV | CAK | CAG | HAG | 180.0° | 180.0° |
| CAK | CAV | CAL | HAL | 179.8° | 179.6° |
| CAM | CAU | OAR | CAN | 177.1° | 179.8° |
| CAM | CAU | OAR | CAX | 160.3° | 5.1° |
| CAM | CAU | CAN | CAP | 0.8° | 0.2° |
| CAM | CAU | CAN | HAN | 179.2° | 179.7° |
| CAU | CAM | CAO | HAO | 179.7° | 180.0° |
| CAH | CAL | CAV | HAL | 180.0° | 179.7° |
| CAH | CAL | CAV | CAW | 178.9° | 179.7° |
| CAL | CAH | CAD | HAD | 180.0° | 180.0° |
| CAL | CAV | CAW | CAP | 8.7° | 0.2° |
| CAL | CAV | CAK | HAK | 179.8° | 179.9° |
| CAV | CAL | CAH | HAH | 179.9° | 179.9° |
| CAV | CAW | CAP | CAN | 175.3° | 180.0° |
| CAV | CAW | CAP | HAP | 4.7° | 0.0° |
| CAV | CAW | CAO | HAO | 4.5° | 0.0° |
| CAW | CAV | CAK | HAK | 1.0° | 0.4° |
| CAW | CAV | CAL | HAL | 1.1° | 0.1° |
| OAR | CAU | CAN | CAP | 176.3° | 180.0° |
| CAU | OAR | CAX | CAQ | 177.1° | 155.6° |
| CAU | OAR | CAX | CAS | 63.3° | 84.3° |
| CAU | OAR | CAX | HAX | 55.7° | 35.6° |
| OAR | CAU | CAN | HAN | 3.7° | 0.0° |
| OAR | CAU | CAM | HAM | 3.8° | 0.0° |
| CAX | OAR | CAU | CAN | 22.5° | 174.7° |
| OAR | CAX | CAQ | CAS | 121.9° | 120.1° |
| OAR | CAX | CAQ | HAX | 119.1° | 120.0° |
| OAR | CAX | CAS | HAX | 119.0° | 120.0° |
| OAR | CAX | CAS | OAA | 20.0° | 5.0° |
| OAR | CAX | CAS | OAB | 159.9° | 175.0° |
| OAR | CAX | CAQ | HAQ | 177.5° | 175.0° |
| OAR | CAX | CAQ | HAQA | 61.7° | 55.0° |
| CAW | CAP | CAN | CAU | 0.1° | 0.0° |
| CAW | CAP | CAN | HAP | 180.0° | 180.0° |
| CAW | CAP | CAN | HAN | 179.9° | 180.0° |
| CAP | CAW | CAO | HAO | 179.4° | 179.7° |
| CAU | CAN | CAP | HAN | 180.0° | 180.0° |
| CAU | CAN | CAP | HAP | 179.9° | 180.0° |
| CAN | CAU | CAM | HAM | 179.0° | 179.8° |
| CAQ | CAX | CAS | HAX | 121.4° | 120.0° |
| CAQ | CAX | CAS | OAA | 99.5° | 115.0° |
| CAQ | CAX | CAS | OAB | 80.6° | 64.9° |
| CAX | CAQ | HAQ | HAQA | 119.1° | 119.9° |
| CAX | CAS | OAA | OAB | 179.9° | 179.9° |
| CAS | CAX | CAQ | HAQ | 60.6° | 54.9° |
| CAS | CAX | CAQ | HAQA | 60.2° | 65.0° |
| CAX | CAS | OAB | HAB | 179.9° | 180.0° |
| OAA | CAS | CAX | HAX | 139.1° | 125.0° |
| OAA | CAS | OAB | HAB | 0.0° | 0.1° |
| OAB | CAS | CAX | HAX | 40.9° | 55.1° |
| HAI | CAI | CAE | HAE | 0.1° | 0.2° |
| HAE | CAE | CAC | HAC | 0.1° | 0.2° |
| HAC | CAC | CAF | HAF | 0.0° | 0.0° |
| HAF | CAF | CAJ | HAJ | 0.1° | 0.1° |
| HAQ | CAQ | CAX | HAX | 58.4° | 65.0° |
| HAQA | CAQ | CAX | HAX | 179.3° | 175.0° |
| HAN | CAN | CAP | HAP | 0.1° | 0.0° |
| HAM | CAM | CAO | HAO | 0.3° | 0.0° |
| HAK | CAK | CAG | HAG | 0.0° | 0.1° |
| HAG | CAG | CAD | HAD | 0.1° | 0.0° |
| HAD | CAD | CAH | HAH | 0.1° | 0.1° |
| HAH | CAH | CAL | HAL | 0.1° | 0.4° |
