P4L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | doub | 1.33Å | 1.33Å | Aromatic |
| N1 | C6 | sing | 1.32Å | 1.33Å | Aromatic |
| C2 | N3 | sing | 1.32Å | 1.33Å | Aromatic |
| C2 | CAN | sing | 1.48Å | 1.39Å | Aromatic |
| N3 | C4 | doub | 1.34Å | 1.35Å | Aromatic |
| C4 | C5 | sing | 1.37Å | 1.40Å | Aromatic |
| C4 | CAG | sing | 1.50Å | 1.52Å | |
| C5 | C6 | doub | 1.41Å | 1.39Å | Aromatic |
| C5 | CAH | sing | 1.51Å | 1.51Å | |
| C6 | O6 | sing | 1.36Å | 1.33Å | |
| CAB | CAC | doub | 1.39Å | 1.39Å | Aromatic |
| CAB | CAD | sing | 1.38Å | 1.39Å | Aromatic |
| CAC | CAE | sing | 1.39Å | 1.39Å | Aromatic |
| CAD | NAI | doub | 1.32Å | 1.33Å | Aromatic |
| CAE | CAN | doub | 1.39Å | 1.39Å | Aromatic |
| CAF | CAG | sing | 1.52Å | 1.52Å | |
| CAF | SAL | sing | 1.82Å | 1.81Å | |
| CAH | SAL | sing | 1.81Å | 1.81Å | |
| NAI | CAN | sing | 1.33Å | 1.34Å | Aromatic |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| CAB | HAB | sing | 1.08Å | 1.08Å | |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.09Å | 1.10Å | |
| CAF | HAFA | sing | 1.09Å | 1.10Å | |
| CAG | HAG | sing | 1.09Å | 1.10Å | |
| CAG | HAGA | sing | 1.09Å | 1.10Å | |
| CAH | HAH | sing | 1.09Å | 1.10Å | |
| CAH | HAHA | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C6 | 120.9° | 119.9° |
| N1 | C2 | N3 | 119.2° | 121.2° |
| N1 | C2 | CAN | 119.5° | 119.3° |
| N1 | C6 | C5 | 122.1° | 120.1° |
| N1 | C6 | O6 | 117.4° | 120.0° |
| N3 | C2 | CAN | 121.4° | 119.4° |
| C2 | N3 | C4 | 123.0° | 122.2° |
| C2 | CAN | CAE | 122.6° | 119.7° |
| C2 | CAN | NAI | 118.1° | 119.7° |
| N3 | C4 | C5 | 118.9° | 118.1° |
| N3 | C4 | CAG | 114.6° | 115.1° |
| C5 | C4 | CAG | 126.5° | 126.9° |
| C4 | C5 | C6 | 115.9° | 118.5° |
| C4 | C5 | CAH | 123.9° | 125.7° |
| C4 | CAG | CAF | 113.3° | 113.3° |
| C4 | CAG | HAG | 108.2° | 108.7° |
| C4 | CAG | HAGA | 108.2° | 108.7° |
| C6 | C5 | CAH | 120.2° | 115.8° |
| C5 | C6 | O6 | 120.5° | 120.0° |
| C5 | CAH | SAL | 110.9° | 110.3° |
| C5 | CAH | HAH | 109.0° | 109.3° |
| C5 | CAH | HAHA | 109.0° | 109.3° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| CAC | CAB | CAD | 117.5° | 119.4° |
| CAB | CAC | CAE | 119.6° | 118.5° |
| CAC | CAB | HAB | 121.3° | 120.3° |
| CAB | CAC | HAC | 120.2° | 120.7° |
| CAB | CAD | NAI | 121.6° | 120.9° |
| CAD | CAB | HAB | 121.2° | 120.3° |
| CAB | CAD | HAD | 119.2° | 119.6° |
| CAC | CAE | CAN | 120.0° | 119.1° |
| CAE | CAC | HAC | 120.2° | 120.8° |
| CAC | CAE | HAE | 120.0° | 120.4° |
| CAD | NAI | CAN | 122.0° | 121.6° |
| NAI | CAD | HAD | 119.2° | 119.5° |
| CAE | CAN | NAI | 119.2° | 120.6° |
| CAN | CAE | HAE | 120.0° | 120.5° |
| CAG | CAF | SAL | 110.9° | 108.0° |
| CAG | CAF | HAF | 109.0° | 109.8° |
| CAG | CAF | HAFA | 109.0° | 109.8° |
| CAF | CAG | HAG | 108.2° | 108.7° |
| CAF | CAG | HAGA | 108.2° | 108.8° |
| CAF | SAL | CAH | 98.0° | 100.9° |
| SAL | CAF | HAF | 109.0° | 109.8° |
| SAL | CAF | HAFA | 109.0° | 109.8° |
| SAL | CAH | HAH | 109.0° | 109.4° |
| SAL | CAH | HAHA | 109.0° | 109.4° |
| HAF | CAF | HAFA | 109.9° | 109.8° |
| HAG | CAG | HAGA | 110.7° | 108.6° |
| HAH | CAH | HAHA | 109.9° | 109.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | N3 | CAN | 179.2° | 179.9° |
| N1 | C2 | N3 | C4 | 0.5° | 0.1° |
| C2 | N1 | C6 | C5 | 1.0° | 0.0° |
| C2 | N1 | C6 | O6 | 178.4° | 179.9° |
| N1 | C2 | CAN | CAE | 169.8° | 0.1° |
| N1 | C2 | CAN | NAI | 13.5° | 180.0° |
| C6 | N1 | C2 | N3 | 0.3° | 0.6° |
| C6 | N1 | C2 | CAN | 178.9° | 179.6° |
| N1 | C6 | C5 | C4 | 2.0° | 0.9° |
| N1 | C6 | C5 | O6 | 179.3° | 179.9° |
| N1 | C6 | C5 | CAH | 179.9° | 178.2° |
| N1 | C6 | O6 | HO6 | 0.0° | 90.0° |
| C2 | N3 | C4 | C5 | 0.6° | 0.9° |
| C2 | N3 | C4 | CAG | 179.0° | 178.0° |
| N3 | C2 | CAN | CAE | 11.0° | 180.0° |
| N3 | C2 | CAN | NAI | 165.7° | 0.1° |
| CAN | C2 | N3 | C4 | 178.7° | 180.0° |
| C2 | CAN | CAE | CAC | 179.1° | 180.0° |
| C2 | CAN | NAI | CAD | 179.3° | 179.9° |
| C2 | CAN | CAE | NAI | 176.6° | 180.0° |
| C2 | CAN | CAE | HAE | 0.9° | 0.0° |
| N3 | C4 | C5 | CAG | 178.1° | 178.8° |
| N3 | C4 | C5 | C6 | 1.7° | 1.4° |
| N3 | C4 | C5 | CAH | 179.8° | 177.7° |
| N3 | C4 | CAG | CAF | 168.5° | 159.2° |
| N3 | C4 | CAG | HAG | 71.5° | 79.8° |
| N3 | C4 | CAG | HAGA | 48.4° | 38.2° |
| C4 | C5 | C6 | CAH | 178.2° | 179.2° |
| C4 | C5 | C6 | O6 | 177.4° | 179.1° |
| C5 | C4 | CAG | CAF | 13.3° | 21.9° |
| C4 | C5 | CAH | SAL | 26.6° | 19.8° |
| C5 | C4 | CAG | HAG | 106.7° | 99.0° |
| C5 | C4 | CAG | HAGA | 133.3° | 143.0° |
| C4 | C5 | CAH | HAH | 93.4° | 100.4° |
| C4 | C5 | CAH | HAHA | 146.6° | 140.1° |
| CAG | C4 | C5 | C6 | 179.9° | 177.4° |
| CAG | C4 | C5 | CAH | 2.0° | 3.5° |
| C4 | CAG | CAF | HAG | 120.0° | 120.9° |
| C4 | CAG | CAF | HAGA | 120.0° | 121.0° |
| C4 | CAG | CAF | SAL | 48.0° | 53.0° |
| C4 | CAG | CAF | HAF | 168.0° | 172.6° |
| C4 | CAG | CAF | HAFA | 72.0° | 66.7° |
| C4 | CAG | HAG | HAGA | 118.4° | 118.1° |
| C6 | C5 | CAH | SAL | 155.4° | 161.1° |
| C5 | C6 | O6 | HO6 | 179.4° | 90.1° |
| C6 | C5 | CAH | HAH | 84.6° | 78.7° |
| C6 | C5 | CAH | HAHA | 35.4° | 40.8° |
| CAH | C5 | C6 | O6 | 0.8° | 1.7° |
| C5 | CAH | SAL | CAF | 52.2° | 45.8° |
| C5 | CAH | SAL | HAH | 120.0° | 120.2° |
| C5 | CAH | SAL | HAHA | 120.0° | 120.3° |
| C5 | CAH | HAH | HAHA | 119.4° | 119.5° |
| CAC | CAB | CAD | HAB | 180.0° | 179.8° |
| CAB | CAC | CAE | HAC | 180.0° | 179.9° |
| CAC | CAB | CAD | NAI | 0.8° | 0.0° |
| CAB | CAC | CAE | CAN | 0.8° | 0.1° |
| CAC | CAB | CAD | HAD | 179.3° | 179.9° |
| CAB | CAC | CAE | HAE | 179.1° | 180.0° |
| CAD | CAB | CAC | CAE | 0.8° | 0.0° |
| CAB | CAD | NAI | HAD | 180.0° | 179.9° |
| CAB | CAD | NAI | CAN | 0.9° | 0.0° |
| CAD | CAB | CAC | HAC | 179.2° | 180.0° |
| CAC | CAE | CAN | HAE | 180.0° | 180.0° |
| CAC | CAE | CAN | NAI | 2.5° | 0.0° |
| CAE | CAC | CAB | HAB | 179.2° | 179.8° |
| CAD | NAI | CAN | CAE | 2.5° | 0.0° |
| NAI | CAD | CAB | HAB | 179.2° | 179.7° |
| CAN | CAE | CAC | HAC | 179.2° | 180.0° |
| CAG | CAF | SAL | HAF | 120.0° | 119.6° |
| CAG | CAF | SAL | HAFA | 120.0° | 119.6° |
| CAG | CAF | SAL | CAH | 65.3° | 63.7° |
| CAG | CAF | HAF | HAFA | 119.4° | 120.7° |
| CAF | CAG | HAG | HAGA | 118.5° | 118.2° |
| SAL | CAF | HAF | HAFA | 119.4° | 120.8° |
| SAL | CAF | CAG | HAG | 72.0° | 67.9° |
| SAL | CAF | CAG | HAGA | 168.0° | 174.0° |
| CAF | SAL | CAH | HAH | 67.8° | 74.4° |
| CAF | SAL | CAH | HAHA | 172.2° | 166.1° |
| CAH | SAL | CAF | HAF | 174.7° | 176.6° |
| CAH | SAL | CAF | HAFA | 54.7° | 55.9° |
| SAL | CAH | HAH | HAHA | 119.4° | 119.6° |
| CAN | NAI | CAD | HAD | 179.1° | 180.0° |
| NAI | CAN | CAE | HAE | 177.5° | 180.0° |
| HAB | CAB | CAC | HAC | 0.8° | 0.3° |
| HAB | CAB | CAD | HAD | 0.8° | 0.2° |
| HAC | CAC | CAE | HAE | 0.8° | 0.0° |
| HAF | CAF | CAG | HAG | 48.0° | 51.7° |
| HAF | CAF | CAG | HAGA | 72.0° | 66.4° |
| HAFA | CAF | CAG | HAG | 168.0° | 172.4° |
| HAFA | CAF | CAG | HAGA | 48.0° | 54.4° |
