7DR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C6 | doub | 1.33Å | 1.35Å | Aromatic |
| N1 | C2 | sing | 1.33Å | 1.34Å | Aromatic |
| NAC | C2 | sing | 1.38Å | 1.34Å | |
| C2 | N3 | doub | 1.33Å | 1.34Å | Aromatic |
| N3 | C4 | sing | 1.32Å | 1.34Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
| C4 | CAO | sing | 1.51Å | 1.54Å | |
| C6 | C5 | sing | 1.41Å | 1.40Å | Aromatic |
| C5 | CAF | sing | 1.43Å | 1.44Å | |
| NAD | C6 | sing | 1.38Å | 1.34Å | |
| CAO | CAA | sing | 1.53Å | 1.52Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| CAB | OAS | sing | 1.43Å | 1.45Å | |
| CAB | HAB | sing | 1.09Å | 1.10Å | |
| CAB | HABA | sing | 1.09Å | 1.10Å | |
| CAB | HABB | sing | 1.09Å | 1.10Å | |
| NAC | HNAC | sing | 0.97Å | 1.00Å | |
| NAC | HNAA | sing | 0.97Å | 1.00Å | |
| NAD | HNAD | sing | 0.97Å | 1.00Å | |
| NAD | HNAB | sing | 0.97Å | 1.00Å | |
| CAF | CAE | trip | 1.17Å | 1.24Å | |
| CAE | CAP | sing | 1.47Å | 1.48Å | |
| CAH | CAG | doub | 1.38Å | 1.39Å | Aromatic |
| CAG | CAI | sing | 1.38Å | 1.39Å | Aromatic |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAJ | CAH | sing | 1.38Å | 1.39Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAK | CAI | doub | 1.38Å | 1.40Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | CAX | doub | 1.39Å | 1.39Å | Aromatic |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAX | CAK | sing | 1.39Å | 1.40Å | Aromatic |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAU | CAL | doub | 1.38Å | 1.39Å | Aromatic |
| CAL | CAW | sing | 1.39Å | 1.40Å | Aromatic |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAU | CAM | sing | 1.38Å | 1.40Å | Aromatic |
| CAM | CAY | doub | 1.39Å | 1.40Å | Aromatic |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAY | CAN | sing | 1.39Å | 1.39Å | Aromatic |
| CAW | CAN | doub | 1.39Å | 1.39Å | Aromatic |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| CAO | HAO | sing | 1.09Å | 1.10Å | |
| CAO | HAOA | sing | 1.09Å | 1.10Å | |
| CAP | CAU | sing | 1.51Å | 1.53Å | |
| CAP | HAP | sing | 1.09Å | 1.10Å | |
| CAP | HAPA | sing | 1.09Å | 1.10Å | |
| CAW | OAS | sing | 1.36Å | 1.37Å | |
| CAY | CAX | sing | 1.48Å | 1.40Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | N1 | C2 | 120.4° | 120.7° |
| N1 | C6 | C5 | 119.6° | 118.9° |
| N1 | C6 | NAD | 120.1° | 120.5° |
| N1 | C2 | NAC | 120.9° | 119.0° |
| N1 | C2 | N3 | 120.4° | 122.0° |
| NAC | C2 | N3 | 118.8° | 119.0° |
| C2 | NAC | HNAC | 109.5° | 119.9° |
| C2 | NAC | HNAA | 109.4° | 120.0° |
| C2 | N3 | C4 | 122.5° | 121.1° |
| N3 | C4 | C5 | 118.1° | 119.1° |
| N3 | C4 | CAO | 117.6° | 120.5° |
| C5 | C4 | CAO | 124.3° | 120.4° |
| C4 | C5 | C6 | 119.0° | 118.2° |
| C4 | C5 | CAF | 119.2° | 120.9° |
| C4 | CAO | CAA | 110.6° | 109.4° |
| C4 | CAO | HAO | 109.1° | 109.5° |
| C4 | CAO | HAOA | 109.1° | 109.4° |
| C6 | C5 | CAF | 121.7° | 120.9° |
| C5 | C6 | NAD | 120.3° | 120.6° |
| C5 | CAF | CAE | 178.7° | 179.9° |
| C6 | NAD | HNAD | 109.5° | 120.0° |
| C6 | NAD | HNAB | 109.5° | 120.0° |
| CAO | CAA | HAA | 109.5° | 109.5° |
| CAO | CAA | HAAA | 109.4° | 109.5° |
| CAO | CAA | HAAB | 109.4° | 109.4° |
| CAA | CAO | HAO | 109.1° | 109.5° |
| CAA | CAO | HAOA | 109.1° | 109.5° |
| HAA | CAA | HAAA | 109.5° | 109.5° |
| HAA | CAA | HAAB | 109.5° | 109.5° |
| HAAA | CAA | HAAB | 109.5° | 109.4° |
| OAS | CAB | HAB | 109.5° | 109.5° |
| OAS | CAB | HABA | 109.5° | 109.4° |
| OAS | CAB | HABB | 109.5° | 109.5° |
| CAB | OAS | CAW | 113.2° | 116.9° |
| HAB | CAB | HABA | 109.4° | 109.4° |
| HAB | CAB | HABB | 109.5° | 109.5° |
| HABA | CAB | HABB | 109.5° | 109.5° |
| HNAC | NAC | HNAA | 109.5° | 120.1° |
| HNAD | NAD | HNAB | 109.4° | 120.0° |
| CAF | CAE | CAP | 179.6° | 179.9° |
| CAE | CAP | CAU | 114.8° | 109.5° |
| CAE | CAP | HAP | 107.7° | 109.5° |
| CAE | CAP | HAPA | 107.7° | 109.4° |
| CAH | CAG | CAI | 119.5° | 120.2° |
| CAH | CAG | HAG | 120.3° | 119.8° |
| CAG | CAH | CAJ | 120.3° | 120.1° |
| CAG | CAH | HAH | 119.9° | 119.9° |
| CAI | CAG | HAG | 120.2° | 119.9° |
| CAG | CAI | CAK | 120.0° | 120.1° |
| CAG | CAI | HAI | 120.0° | 119.9° |
| CAJ | CAH | HAH | 119.9° | 120.0° |
| CAH | CAJ | CAX | 120.6° | 119.9° |
| CAH | CAJ | HAJ | 119.7° | 120.0° |
| CAK | CAI | HAI | 120.0° | 119.9° |
| CAI | CAK | CAX | 120.7° | 119.9° |
| CAI | CAK | HAK | 119.7° | 120.0° |
| CAX | CAJ | HAJ | 119.7° | 120.1° |
| CAJ | CAX | CAK | 118.9° | 119.8° |
| CAJ | CAX | CAY | 121.0° | 120.1° |
| CAX | CAK | HAK | 119.6° | 120.1° |
| CAK | CAX | CAY | 120.2° | 120.1° |
| CAU | CAL | CAW | 120.7° | 120.2° |
| CAU | CAL | HAL | 119.6° | 119.8° |
| CAL | CAU | CAM | 119.1° | 120.1° |
| CAL | CAU | CAP | 118.7° | 119.9° |
| CAW | CAL | HAL | 119.6° | 119.9° |
| CAL | CAW | CAN | 119.4° | 120.0° |
| CAL | CAW | OAS | 122.0° | 120.0° |
| CAU | CAM | CAY | 120.7° | 120.0° |
| CAU | CAM | HAM | 119.7° | 120.0° |
| CAM | CAU | CAP | 122.1° | 119.9° |
| CAY | CAM | HAM | 119.6° | 120.0° |
| CAM | CAY | CAN | 119.5° | 119.8° |
| CAM | CAY | CAX | 121.2° | 120.1° |
| CAY | CAN | CAW | 120.5° | 119.8° |
| CAY | CAN | HAN | 119.8° | 120.1° |
| CAN | CAY | CAX | 119.2° | 120.1° |
| CAW | CAN | HAN | 119.7° | 120.1° |
| CAN | CAW | OAS | 118.6° | 120.0° |
| HAO | CAO | HAOA | 109.9° | 109.5° |
| CAU | CAP | HAP | 107.7° | 109.5° |
| CAU | CAP | HAPA | 107.8° | 109.5° |
| HAP | CAP | HAPA | 111.1° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | N1 | C2 | NAC | 179.5° | 180.0° |
| C6 | N1 | C2 | N3 | 0.5° | 0.1° |
| N1 | C6 | C5 | C4 | 0.0° | 0.0° |
| N1 | C6 | C5 | NAD | 179.8° | 179.9° |
| N1 | C6 | C5 | CAF | 179.9° | 180.0° |
| N1 | C6 | NAD | HNAD | 0.0° | 0.1° |
| N1 | C6 | NAD | HNAB | 120.0° | 180.0° |
| N1 | C2 | NAC | N3 | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 1.0° | 0.0° |
| C2 | N1 | C6 | C5 | 0.0° | 0.1° |
| C2 | N1 | C6 | NAD | 179.7° | 180.0° |
| N1 | C2 | NAC | HNAC | 0.0° | 0.0° |
| N1 | C2 | NAC | HNAA | 120.0° | 180.0° |
| NAC | C2 | N3 | C4 | 179.0° | 180.0° |
| C2 | NAC | HNAC | HNAA | 120.0° | 180.0° |
| C2 | N3 | C4 | C5 | 1.0° | 0.0° |
| C2 | N3 | C4 | CAO | 179.4° | 180.0° |
| N3 | C2 | NAC | HNAC | 180.0° | 180.0° |
| N3 | C2 | NAC | HNAA | 60.0° | 0.0° |
| N3 | C4 | C5 | CAO | 179.6° | 180.0° |
| N3 | C4 | C5 | C6 | 0.5° | 0.0° |
| N3 | C4 | C5 | CAF | 179.6° | 180.0° |
| N3 | C4 | CAO | CAA | 90.4° | 90.0° |
| N3 | C4 | CAO | HAO | 149.7° | 150.0° |
| N3 | C4 | CAO | HAOA | 29.6° | 30.0° |
| C4 | C5 | C6 | CAF | 179.9° | 180.0° |
| C4 | C5 | C6 | NAD | 179.7° | 179.9° |
| C5 | C4 | CAO | CAA | 89.2° | 90.1° |
| C4 | C5 | CAF | CAE | 6.9° | 45.3° |
| C5 | C4 | CAO | HAO | 30.8° | 30.0° |
| C5 | C4 | CAO | HAOA | 150.8° | 150.0° |
| CAO | C4 | C5 | C6 | 179.9° | 180.0° |
| CAO | C4 | C5 | CAF | 0.1° | 0.0° |
| C4 | CAO | CAA | HAO | 120.0° | 120.0° |
| C4 | CAO | CAA | HAOA | 120.0° | 119.9° |
| C4 | CAO | CAA | HAA | 180.0° | 60.0° |
| C4 | CAO | CAA | HAAA | 60.0° | 60.1° |
| C4 | CAO | CAA | HAAB | 60.0° | 180.0° |
| C4 | CAO | HAO | HAOA | 119.5° | 120.0° |
| C5 | C6 | NAD | HNAD | 179.8° | 180.0° |
| C5 | C6 | NAD | HNAB | 59.8° | 0.1° |
| C6 | C5 | CAF | CAE | 173.2° | 134.7° |
| CAF | C5 | C6 | NAD | 0.2° | 0.1° |
| C5 | CAF | CAE | CAP | 140.1° | 173.2° |
| C6 | NAD | HNAD | HNAB | 120.0° | 179.8° |
| CAO | CAA | HAA | HAAA | 120.0° | 120.0° |
| CAO | CAA | HAA | HAAB | 120.0° | 120.0° |
| CAO | CAA | HAAA | HAAB | 120.0° | 119.9° |
| CAA | CAO | HAO | HAOA | 119.5° | 120.0° |
| HAA | CAA | HAAA | HAAB | 120.0° | 120.0° |
| HAA | CAA | CAO | HAO | 60.0° | 180.0° |
| HAA | CAA | CAO | HAOA | 60.0° | 60.0° |
| HAAA | CAA | CAO | HAO | 180.0° | 59.9° |
| HAAA | CAA | CAO | HAOA | 60.0° | 180.0° |
| HAAB | CAA | CAO | HAO | 60.0° | 60.0° |
| HAAB | CAA | CAO | HAOA | 180.0° | 60.1° |
| OAS | CAB | HAB | HABA | 120.0° | 119.9° |
| OAS | CAB | HAB | HABB | 120.0° | 120.1° |
| OAS | CAB | HABA | HABB | 120.0° | 120.0° |
| CAB | OAS | CAW | CAL | 5.3° | 0.0° |
| CAB | OAS | CAW | CAN | 174.8° | 180.0° |
| HAB | CAB | HABA | HABB | 120.0° | 120.0° |
| HAB | CAB | OAS | CAW | 180.0° | 60.0° |
| HABA | CAB | OAS | CAW | 60.0° | 180.0° |
| HABB | CAB | OAS | CAW | 60.0° | 60.0° |
| CAF | CAE | CAP | CAU | 175.6° | 52.1° |
| CAF | CAE | CAP | HAP | 55.6° | 67.9° |
| CAF | CAE | CAP | HAPA | 64.4° | 172.1° |
| CAE | CAP | CAU | CAL | 141.9° | 90.0° |
| CAE | CAP | CAU | CAM | 39.9° | 90.0° |
| CAE | CAP | CAU | HAP | 120.0° | 120.0° |
| CAE | CAP | CAU | HAPA | 120.0° | 120.0° |
| CAE | CAP | HAP | HAPA | 117.8° | 120.0° |
| CAH | CAG | CAI | HAG | 180.0° | 179.7° |
| CAG | CAH | CAJ | HAH | 180.0° | 179.9° |
| CAH | CAG | CAI | CAK | 0.3° | 0.2° |
| CAH | CAG | CAI | HAI | 179.7° | 179.7° |
| CAG | CAH | CAJ | CAX | 0.4° | 0.1° |
| CAG | CAH | CAJ | HAJ | 179.6° | 180.0° |
| CAI | CAG | CAH | CAJ | 0.1° | 0.1° |
| CAI | CAG | CAH | HAH | 179.9° | 180.0° |
| CAG | CAI | CAK | HAI | 180.0° | 179.9° |
| CAG | CAI | CAK | CAX | 0.4° | 0.5° |
| CAG | CAI | CAK | HAK | 179.6° | 180.0° |
| HAG | CAG | CAH | CAJ | 179.9° | 179.7° |
| HAG | CAG | CAH | HAH | 0.1° | 0.2° |
| HAG | CAG | CAI | CAK | 179.7° | 180.0° |
| HAG | CAG | CAI | HAI | 0.3° | 0.0° |
| CAH | CAJ | CAX | HAJ | 180.0° | 179.9° |
| CAH | CAJ | CAX | CAK | 0.3° | 0.2° |
| CAH | CAJ | CAX | CAY | 179.5° | 179.9° |
| HAH | CAH | CAJ | CAX | 179.6° | 180.0° |
| HAH | CAH | CAJ | HAJ | 0.4° | 0.1° |
| CAI | CAK | CAX | CAJ | 0.1° | 0.5° |
| CAI | CAK | CAX | HAK | 180.0° | 179.5° |
| CAI | CAK | CAX | CAY | 179.9° | 179.8° |
| HAI | CAI | CAK | CAX | 179.6° | 179.4° |
| HAI | CAI | CAK | HAK | 0.4° | 0.1° |
| CAJ | CAX | CAK | CAY | 179.8° | 179.7° |
| CAJ | CAX | CAK | HAK | 179.9° | 180.0° |
| CAJ | CAX | CAY | CAM | 6.0° | 180.0° |
| CAJ | CAX | CAY | CAN | 174.7° | 0.0° |
| HAJ | CAJ | CAX | CAK | 179.7° | 179.7° |
| HAJ | CAJ | CAX | CAY | 0.5° | 0.1° |
| CAK | CAX | CAY | CAM | 173.8° | 0.3° |
| CAK | CAX | CAY | CAN | 5.5° | 179.7° |
| HAK | CAK | CAX | CAY | 0.1° | 0.2° |
| CAU | CAL | CAW | HAL | 180.0° | 179.7° |
| CAL | CAU | CAM | CAP | 178.2° | 180.0° |
| CAL | CAU | CAM | CAY | 0.3° | 0.0° |
| CAL | CAU | CAM | HAM | 179.7° | 179.7° |
| CAU | CAL | CAW | CAN | 0.4° | 0.3° |
| CAL | CAU | CAP | HAP | 98.1° | 30.0° |
| CAL | CAU | CAP | HAPA | 21.9° | 150.0° |
| CAU | CAL | CAW | OAS | 179.7° | 179.7° |
| CAW | CAL | CAU | CAM | 0.6° | 0.0° |
| CAL | CAW | CAN | CAY | 0.1° | 0.5° |
| CAL | CAW | CAN | OAS | 179.9° | 180.0° |
| CAL | CAW | CAN | HAN | 179.9° | 179.9° |
| CAW | CAL | CAU | CAP | 178.8° | 180.0° |
| HAL | CAL | CAU | CAM | 179.4° | 179.7° |
| HAL | CAL | CAW | CAN | 179.6° | 180.0° |
| HAL | CAL | CAU | CAP | 1.2° | 0.3° |
| HAL | CAL | CAW | OAS | 0.3° | 0.0° |
| CAU | CAM | CAY | HAM | 180.0° | 179.7° |
| CAU | CAM | CAY | CAN | 0.2° | 0.3° |
| CAM | CAU | CAP | HAP | 80.1° | 150.0° |
| CAM | CAU | CAP | HAPA | 159.9° | 30.0° |
| CAU | CAM | CAY | CAX | 179.5° | 179.7° |
| CAM | CAY | CAN | CAX | 179.3° | 180.0° |
| CAM | CAY | CAN | CAW | 0.4° | 0.5° |
| CAM | CAY | CAN | HAN | 179.6° | 179.9° |
| CAY | CAM | CAU | CAP | 178.5° | 180.0° |
| HAM | CAM | CAY | CAN | 179.8° | 180.0° |
| HAM | CAM | CAU | CAP | 1.5° | 0.3° |
| HAM | CAM | CAY | CAX | 0.6° | 0.0° |
| CAY | CAN | CAW | HAN | 180.0° | 179.4° |
| CAY | CAN | CAW | OAS | 179.8° | 179.5° |
| CAW | CAN | CAY | CAX | 179.7° | 179.5° |
| HAN | CAN | CAW | OAS | 0.2° | 0.1° |
| HAN | CAN | CAY | CAX | 0.3° | 0.1° |
| CAU | CAP | HAP | HAPA | 117.8° | 120.0° |
