6RG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | N1 | doub | 1.33Å | 1.35Å | Aromatic |
| N1 | C2 | sing | 1.33Å | 1.35Å | Aromatic |
| C2 | N3 | doub | 1.32Å | 1.35Å | Aromatic |
| C2 | CAV | sing | 1.48Å | 1.39Å | |
| C4 | N3 | sing | 1.34Å | 1.33Å | Aromatic |
| C5 | C4 | sing | 1.42Å | 1.39Å | Aromatic |
| C4 | CAN | doub | 1.40Å | 1.40Å | Aromatic |
| CAM | C5 | doub | 1.40Å | 1.42Å | Aromatic |
| C6 | C5 | sing | 1.42Å | 1.42Å | Aromatic |
| NAS | C6 | sing | 1.38Å | 1.35Å | |
| CAT | NAA | sing | 1.39Å | 1.32Å | |
| NAA | HNAA | sing | 0.97Å | 1.00Å | |
| NAA | HNAB | sing | 0.97Å | 1.00Å | |
| CAD | CAB | doub | 1.38Å | 1.40Å | Aromatic |
| CAB | CAE | sing | 1.38Å | 1.39Å | Aromatic |
| CAB | HAB | sing | 1.08Å | 1.08Å | |
| CAG | CAC | doub | 1.38Å | 1.39Å | Aromatic |
| CAC | CAF | sing | 1.38Å | 1.40Å | Aromatic |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAH | CAD | sing | 1.38Å | 1.39Å | Aromatic |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAI | CAE | doub | 1.38Å | 1.39Å | Aromatic |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAJ | CAF | doub | 1.38Å | 1.38Å | Aromatic |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAK | CAG | sing | 1.38Å | 1.40Å | Aromatic |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | CAU | doub | 1.38Å | 1.39Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAU | CAI | sing | 1.38Å | 1.40Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAV | CAJ | sing | 1.39Å | 1.39Å | Aromatic |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAK | CAV | doub | 1.39Å | 1.40Å | Aromatic |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAM | CAL | sing | 1.36Å | 1.41Å | Aromatic |
| CAL | CAT | doub | 1.40Å | 1.40Å | Aromatic |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAT | CAN | sing | 1.38Å | 1.40Å | Aromatic |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| CAP | CAO | sing | 1.53Å | 1.54Å | |
| CAO | NAS | sing | 1.47Å | 1.47Å | |
| CAO | HAO | sing | 1.09Å | 1.10Å | |
| CAO | HAOA | sing | 1.09Å | 1.10Å | |
| CAP | CAU | sing | 1.51Å | 1.52Å | |
| CAP | HAP | sing | 1.09Å | 1.10Å | |
| CAP | HAPA | sing | 1.09Å | 1.10Å | |
| NAS | HNAS | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | N1 | C2 | 120.4° | 121.4° |
| N1 | C6 | C5 | 119.4° | 118.4° |
| N1 | C6 | NAS | 122.0° | 120.8° |
| N1 | C2 | N3 | 120.5° | 122.8° |
| N1 | C2 | CAV | 120.5° | 118.6° |
| N3 | C2 | CAV | 118.9° | 118.6° |
| C2 | N3 | C4 | 122.2° | 120.4° |
| C2 | CAV | CAJ | 119.8° | 120.2° |
| C2 | CAV | CAK | 119.9° | 120.1° |
| N3 | C4 | C5 | 119.3° | 118.8° |
| N3 | C4 | CAN | 120.8° | 121.8° |
| C5 | C4 | CAN | 119.9° | 119.4° |
| C4 | C5 | CAM | 119.4° | 119.9° |
| C4 | C5 | C6 | 118.2° | 118.3° |
| C4 | CAN | CAT | 120.8° | 119.4° |
| C4 | CAN | HAN | 119.6° | 120.3° |
| CAM | C5 | C6 | 122.4° | 121.9° |
| C5 | CAM | CAL | 120.9° | 119.8° |
| C5 | CAM | HAM | 119.6° | 120.1° |
| C5 | C6 | NAS | 118.6° | 120.8° |
| C6 | NAS | CAO | 126.9° | 120.0° |
| C6 | NAS | HNAS | 105.0° | 120.0° |
| CAT | NAA | HNAA | 109.5° | 120.1° |
| CAT | NAA | HNAB | 109.5° | 120.0° |
| NAA | CAT | CAL | 120.1° | 119.6° |
| NAA | CAT | CAN | 119.5° | 119.7° |
| HNAA | NAA | HNAB | 109.5° | 120.0° |
| CAD | CAB | CAE | 120.2° | 120.1° |
| CAD | CAB | HAB | 119.9° | 120.0° |
| CAB | CAD | CAH | 121.5° | 120.0° |
| CAB | CAD | HAD | 119.2° | 120.0° |
| CAE | CAB | HAB | 119.9° | 120.0° |
| CAB | CAE | CAI | 118.8° | 120.0° |
| CAB | CAE | HAE | 120.6° | 120.0° |
| CAG | CAC | CAF | 121.4° | 120.2° |
| CAG | CAC | HAC | 119.3° | 119.9° |
| CAC | CAG | CAK | 117.3° | 120.1° |
| CAC | CAG | HAG | 121.4° | 119.9° |
| CAF | CAC | HAC | 119.3° | 119.9° |
| CAC | CAF | CAJ | 120.7° | 120.1° |
| CAC | CAF | HAF | 119.7° | 119.9° |
| CAH | CAD | HAD | 119.2° | 120.0° |
| CAD | CAH | CAU | 117.8° | 120.0° |
| CAD | CAH | HAH | 121.1° | 120.0° |
| CAI | CAE | HAE | 120.6° | 120.0° |
| CAE | CAI | CAU | 120.4° | 120.0° |
| CAE | CAI | HAI | 119.8° | 120.0° |
| CAJ | CAF | HAF | 119.7° | 120.0° |
| CAF | CAJ | CAV | 118.9° | 119.9° |
| CAF | CAJ | HAJ | 120.6° | 120.1° |
| CAK | CAG | HAG | 121.3° | 120.0° |
| CAG | CAK | CAV | 121.6° | 119.9° |
| CAG | CAK | HAK | 119.2° | 120.0° |
| CAU | CAH | HAH | 121.1° | 120.0° |
| CAH | CAU | CAI | 121.3° | 120.0° |
| CAH | CAU | CAP | 119.4° | 120.0° |
| CAU | CAI | HAI | 119.8° | 120.0° |
| CAI | CAU | CAP | 119.3° | 120.0° |
| CAV | CAJ | HAJ | 120.5° | 120.0° |
| CAJ | CAV | CAK | 120.1° | 119.7° |
| CAV | CAK | HAK | 119.2° | 120.1° |
| CAM | CAL | CAT | 118.7° | 120.8° |
| CAM | CAL | HAL | 120.7° | 119.6° |
| CAL | CAM | HAM | 119.6° | 120.1° |
| CAT | CAL | HAL | 120.6° | 119.6° |
| CAL | CAT | CAN | 120.4° | 120.7° |
| CAT | CAN | HAN | 119.6° | 120.3° |
| CAP | CAO | NAS | 110.0° | 109.4° |
| CAP | CAO | HAO | 109.3° | 109.5° |
| CAP | CAO | HAOA | 109.3° | 109.4° |
| CAO | CAP | CAU | 108.5° | 109.5° |
| CAO | CAP | HAP | 109.7° | 109.5° |
| CAO | CAP | HAPA | 109.7° | 109.5° |
| NAS | CAO | HAO | 109.3° | 109.5° |
| NAS | CAO | HAOA | 109.4° | 109.5° |
| CAO | NAS | HNAS | 104.9° | 120.0° |
| HAO | CAO | HAOA | 109.5° | 109.5° |
| CAU | CAP | HAP | 109.7° | 109.4° |
| CAU | CAP | HAPA | 109.7° | 109.4° |
| HAP | CAP | HAPA | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | N1 | C2 | N3 | 3.0° | 0.1° |
| C6 | N1 | C2 | CAV | 177.6° | 180.0° |
| N1 | C6 | C5 | C4 | 0.8° | 0.0° |
| N1 | C6 | C5 | CAM | 179.8° | 179.9° |
| N1 | C6 | C5 | NAS | 179.2° | 180.0° |
| N1 | C6 | NAS | CAO | 21.0° | 0.0° |
| N1 | C6 | NAS | HNAS | 143.3° | 180.0° |
| N1 | C2 | N3 | CAV | 174.7° | 179.9° |
| N1 | C2 | N3 | C4 | 3.2° | 0.2° |
| C2 | N1 | C6 | C5 | 1.0° | 0.0° |
| C2 | N1 | C6 | NAS | 178.2° | 179.9° |
| N1 | C2 | CAV | CAJ | 179.9° | 0.8° |
| N1 | C2 | CAV | CAK | 5.0° | 179.9° |
| C2 | N3 | C4 | C5 | 1.4° | 0.1° |
| C2 | N3 | C4 | CAN | 177.3° | 179.9° |
| N3 | C2 | CAV | CAJ | 5.4° | 179.1° |
| N3 | C2 | CAV | CAK | 169.7° | 0.1° |
| CAV | C2 | N3 | C4 | 178.0° | 180.0° |
| C2 | CAV | CAJ | CAF | 177.1° | 179.8° |
| C2 | CAV | CAK | CAG | 177.7° | 179.9° |
| C2 | CAV | CAJ | CAK | 175.1° | 179.2° |
| C2 | CAV | CAJ | HAJ | 2.9° | 0.3° |
| C2 | CAV | CAK | HAK | 2.3° | 0.5° |
| N3 | C4 | C5 | CAN | 178.7° | 179.9° |
| N3 | C4 | C5 | CAM | 179.7° | 180.0° |
| N3 | C4 | C5 | C6 | 0.6° | 0.1° |
| N3 | C4 | CAN | CAT | 179.7° | 180.0° |
| N3 | C4 | CAN | HAN | 0.3° | 0.1° |
| C4 | C5 | CAM | C6 | 179.0° | 179.9° |
| C4 | C5 | C6 | NAS | 180.0° | 180.0° |
| C4 | C5 | CAM | CAL | 1.0° | 0.1° |
| C4 | C5 | CAM | HAM | 179.0° | 180.0° |
| C5 | C4 | CAN | CAT | 1.0° | 0.0° |
| C5 | C4 | CAN | HAN | 179.0° | 180.0° |
| CAN | C4 | C5 | CAM | 1.6° | 0.1° |
| CAN | C4 | C5 | C6 | 179.3° | 180.0° |
| C4 | CAN | CAT | NAA | 179.1° | 180.0° |
| C4 | CAN | CAT | CAL | 0.3° | 0.0° |
| C4 | CAN | CAT | HAN | 180.0° | 180.0° |
| CAM | C5 | C6 | NAS | 1.0° | 0.0° |
| C5 | CAM | CAL | HAM | 180.0° | 179.9° |
| C5 | CAM | CAL | CAT | 0.3° | 0.0° |
| C5 | CAM | CAL | HAL | 179.7° | 180.0° |
| C6 | C5 | CAM | CAL | 180.0° | 180.0° |
| C6 | C5 | CAM | HAM | 0.0° | 0.1° |
| C5 | C6 | NAS | CAO | 159.8° | 180.0° |
| C5 | C6 | NAS | HNAS | 37.5° | 0.0° |
| C6 | NAS | CAO | CAP | 104.4° | 180.0° |
| C6 | NAS | CAO | HNAS | 122.3° | 180.0° |
| C6 | NAS | CAO | HAO | 15.7° | 60.0° |
| C6 | NAS | CAO | HAOA | 135.6° | 60.0° |
| CAT | NAA | HNAA | HNAB | 120.0° | 179.9° |
| NAA | CAT | CAL | CAM | 179.7° | 179.9° |
| NAA | CAT | CAL | CAN | 178.9° | 180.0° |
| NAA | CAT | CAL | HAL | 0.2° | 0.0° |
| NAA | CAT | CAN | HAN | 0.9° | 0.0° |
| HNAA | NAA | CAT | CAL | 180.0° | 0.0° |
| HNAA | NAA | CAT | CAN | 1.1° | 179.9° |
| HNAB | NAA | CAT | CAL | 60.0° | 180.0° |
| HNAB | NAA | CAT | CAN | 121.1° | 0.0° |
| CAD | CAB | CAE | HAB | 180.0° | 179.7° |
| CAB | CAD | CAH | HAD | 180.0° | 179.8° |
| CAD | CAB | CAE | CAI | 0.3° | 0.4° |
| CAD | CAB | CAE | HAE | 179.7° | 179.7° |
| CAB | CAD | CAH | CAU | 0.5° | 0.1° |
| CAB | CAD | CAH | HAH | 179.5° | 180.0° |
| CAE | CAB | CAD | CAH | 0.3° | 0.1° |
| CAE | CAB | CAD | HAD | 179.6° | 180.0° |
| CAB | CAE | CAI | HAE | 180.0° | 179.9° |
| CAB | CAE | CAI | CAU | 0.7° | 0.6° |
| CAB | CAE | CAI | HAI | 179.4° | 179.9° |
| HAB | CAB | CAD | CAH | 179.7° | 179.8° |
| HAB | CAB | CAD | HAD | 0.3° | 0.3° |
| HAB | CAB | CAE | CAI | 179.7° | 179.9° |
| HAB | CAB | CAE | HAE | 0.3° | 0.0° |
| CAG | CAC | CAF | HAC | 180.0° | 179.8° |
| CAG | CAC | CAF | CAJ | 0.8° | 0.2° |
| CAG | CAC | CAF | HAF | 179.2° | 179.8° |
| CAC | CAG | CAK | HAG | 180.0° | 179.9° |
| CAC | CAG | CAK | CAV | 2.1° | 0.6° |
| CAC | CAG | CAK | HAK | 177.9° | 180.0° |
| CAC | CAF | CAJ | HAF | 180.0° | 180.0° |
| CAF | CAC | CAG | CAK | 1.3° | 0.1° |
| CAF | CAC | CAG | HAG | 178.8° | 179.9° |
| CAC | CAF | CAJ | CAV | 1.2° | 0.0° |
| CAC | CAF | CAJ | HAJ | 178.8° | 179.9° |
| HAC | CAC | CAF | CAJ | 179.2° | 180.0° |
| HAC | CAC | CAF | HAF | 0.8° | 0.0° |
| HAC | CAC | CAG | CAK | 178.7° | 179.7° |
| HAC | CAC | CAG | HAG | 1.3° | 0.1° |
| CAD | CAH | CAU | HAH | 180.0° | 179.9° |
| CAD | CAH | CAU | CAI | 0.1° | 0.3° |
| CAD | CAH | CAU | CAP | 179.0° | 180.0° |
| HAD | CAD | CAH | CAU | 179.5° | 179.9° |
| HAD | CAD | CAH | HAH | 0.6° | 0.1° |
| CAE | CAI | CAU | CAH | 0.5° | 0.6° |
| CAE | CAI | CAU | HAI | 180.0° | 179.5° |
| CAE | CAI | CAU | CAP | 178.4° | 179.7° |
| HAE | CAE | CAI | CAU | 179.3° | 179.5° |
| HAE | CAE | CAI | HAI | 0.6° | 0.0° |
| CAF | CAJ | CAV | HAJ | 180.0° | 179.9° |
| CAF | CAJ | CAV | CAK | 2.0° | 0.6° |
| HAF | CAF | CAJ | CAV | 178.8° | 179.9° |
| HAF | CAF | CAJ | HAJ | 1.1° | 0.0° |
| CAG | CAK | CAV | CAJ | 2.6° | 0.9° |
| CAG | CAK | CAV | HAK | 180.0° | 179.4° |
| HAG | CAG | CAK | CAV | 177.9° | 179.5° |
| HAG | CAG | CAK | HAK | 2.1° | 0.1° |
| CAH | CAU | CAI | CAP | 178.9° | 179.7° |
| CAH | CAU | CAI | HAI | 179.6° | 179.9° |
| CAH | CAU | CAP | CAO | 109.1° | 90.0° |
| CAH | CAU | CAP | HAP | 10.7° | 30.0° |
| CAH | CAU | CAP | HAPA | 131.0° | 150.0° |
| HAH | CAH | CAU | CAI | 179.9° | 179.7° |
| HAH | CAH | CAU | CAP | 1.0° | 0.1° |
| CAI | CAU | CAP | CAO | 69.8° | 90.3° |
| CAI | CAU | CAP | HAP | 170.3° | 149.7° |
| CAI | CAU | CAP | HAPA | 50.0° | 29.7° |
| HAI | CAI | CAU | CAP | 1.5° | 0.3° |
| CAJ | CAV | CAK | HAK | 177.4° | 179.7° |
| HAJ | CAJ | CAV | CAK | 178.0° | 179.5° |
| CAM | CAL | CAT | HAL | 180.0° | 180.0° |
| CAM | CAL | CAT | CAN | 0.9° | 0.0° |
| CAT | CAL | CAM | HAM | 179.7° | 180.0° |
| CAL | CAT | CAN | HAN | 179.8° | 180.0° |
| HAL | CAL | CAM | HAM | 0.3° | 0.0° |
| HAL | CAL | CAT | CAN | 179.1° | 180.0° |
| CAP | CAO | NAS | HAO | 120.1° | 120.0° |
| CAP | CAO | NAS | HAOA | 120.1° | 119.9° |
| CAP | CAO | HAO | HAOA | 119.7° | 120.0° |
| CAO | CAP | CAU | HAP | 119.8° | 120.0° |
| CAO | CAP | CAU | HAPA | 119.8° | 120.0° |
| CAO | CAP | HAP | HAPA | 120.4° | 120.1° |
| CAP | CAO | NAS | HNAS | 18.0° | 0.0° |
| NAS | CAO | HAO | HAOA | 119.8° | 120.0° |
| NAS | CAO | CAP | CAU | 64.5° | 180.0° |
| NAS | CAO | CAP | HAP | 55.3° | 60.0° |
| NAS | CAO | CAP | HAPA | 175.6° | 60.0° |
| HAO | CAO | CAP | CAU | 55.5° | 60.0° |
| HAO | CAO | CAP | HAP | 175.3° | 60.0° |
| HAO | CAO | CAP | HAPA | 64.3° | 180.0° |
| HAO | CAO | NAS | HNAS | 138.0° | 120.0° |
| HAOA | CAO | CAP | CAU | 175.4° | 60.0° |
| HAOA | CAO | CAP | HAP | 64.8° | 180.0° |
| HAOA | CAO | CAP | HAPA | 55.5° | 60.0° |
| HAOA | CAO | NAS | HNAS | 102.1° | 119.9° |
| CAU | CAP | HAP | HAPA | 120.5° | 119.9° |
