PRW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.23Å | |
| C | C4 | sing | 1.51Å | 1.53Å | |
| C | OXT | sing | 1.34Å | 1.47Å | |
| C4 | O6 | sing | 1.43Å | 1.44Å | |
| C4 | C3 | sing | 1.53Å | 1.54Å | |
| C3 | O8 | sing | 1.43Å | 1.43Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | N | sing | 1.47Å | 1.46Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| O6 | H6 | sing | 0.97Å | 0.95Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O8 | H8 | sing | 0.97Å | 0.95Å | |
| C2 | H21C | sing | 1.09Å | 1.10Å | |
| C2 | H22C | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | C4 | 116.2° | 120.0° |
| O | C | OXT | 119.6° | 120.0° |
| C4 | C | OXT | 117.4° | 120.0° |
| C | C4 | O6 | 109.3° | 109.5° |
| C | C4 | C3 | 114.9° | 109.5° |
| C | C4 | H4 | 105.5° | 109.5° |
| C | OXT | HXT | 109.5° | 117.0° |
| O6 | C4 | C3 | 108.4° | 109.4° |
| O6 | C4 | H4 | 112.3° | 109.5° |
| C4 | O6 | H6 | 109.5° | 114.0° |
| C4 | C3 | O8 | 111.8° | 109.4° |
| C4 | C3 | C2 | 112.3° | 109.5° |
| C3 | C4 | H4 | 106.5° | 109.5° |
| C4 | C3 | H3 | 106.1° | 109.5° |
| O8 | C3 | C2 | 110.1° | 109.5° |
| O8 | C3 | H3 | 108.4° | 109.5° |
| C3 | O8 | H8 | 109.5° | 114.0° |
| C3 | C2 | N | 110.8° | 109.5° |
| C2 | C3 | H3 | 108.0° | 109.5° |
| C3 | C2 | H21C | 109.0° | 109.5° |
| C3 | C2 | H22C | 108.7° | 109.5° |
| N | C2 | H21C | 109.1° | 109.5° |
| N | C2 | H22C | 108.8° | 109.4° |
| C2 | N | H | 109.5° | 111.0° |
| C2 | N | H2 | 109.5° | 111.0° |
| H21C | C2 | H22C | 110.5° | 109.5° |
| H | N | H2 | 109.4° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | C4 | OXT | 150.9° | 179.7° |
| O | C | C4 | O6 | 13.7° | 5.0° |
| O | C | C4 | C3 | 135.7° | 115.0° |
| O | C | C4 | H4 | 107.3° | 125.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| C | C4 | O6 | C3 | 125.9° | 120.0° |
| C | C4 | O6 | H4 | 116.7° | 120.0° |
| C | C4 | C3 | H4 | 116.3° | 120.0° |
| C | C4 | C3 | O8 | 13.9° | 60.0° |
| C | C4 | C3 | C2 | 138.1° | 180.0° |
| C4 | C | OXT | HXT | 149.9° | 179.7° |
| C | C4 | O6 | H6 | 122.8° | 60.0° |
| C | C4 | C3 | H3 | 104.2° | 60.0° |
| OXT | C | C4 | O6 | 164.6° | 174.7° |
| OXT | C | C4 | C3 | 73.3° | 65.3° |
| OXT | C | C4 | H4 | 43.6° | 54.7° |
| O6 | C4 | C3 | H4 | 121.0° | 120.0° |
| O6 | C4 | C3 | O8 | 136.5° | 180.0° |
| O6 | C4 | C3 | C2 | 99.3° | 60.0° |
| O6 | C4 | C3 | H3 | 18.4° | 60.0° |
| C4 | C3 | O8 | C2 | 125.5° | 120.0° |
| C4 | C3 | O8 | H3 | 116.6° | 120.0° |
| C4 | C3 | C2 | H3 | 116.6° | 120.0° |
| C4 | C3 | C2 | N | 69.9° | 175.0° |
| C3 | C4 | O6 | H6 | 3.1° | 60.0° |
| C4 | C3 | O8 | H8 | 75.2° | 60.0° |
| C4 | C3 | C2 | H21C | 170.1° | 55.0° |
| C4 | C3 | C2 | H22C | 49.5° | 65.0° |
| O8 | C3 | C2 | H3 | 118.2° | 120.0° |
| O8 | C3 | C2 | N | 55.3° | 65.0° |
| O8 | C3 | C4 | H4 | 102.5° | 60.0° |
| O8 | C3 | C2 | H21C | 64.7° | 175.0° |
| O8 | C3 | C2 | H22C | 174.7° | 55.0° |
| C3 | C2 | N | H21C | 120.0° | 120.0° |
| C3 | C2 | N | H22C | 119.4° | 120.0° |
| C2 | C3 | C4 | H4 | 21.8° | 60.0° |
| C2 | C3 | O8 | H8 | 50.3° | 60.0° |
| C3 | C2 | H21C | H22C | 119.4° | 120.0° |
| C3 | C2 | N | H | 156.7° | 56.1° |
| C3 | C2 | N | H2 | 36.7° | 180.0° |
| N | C2 | C3 | H3 | 173.5° | 55.0° |
| N | C2 | H21C | H22C | 119.5° | 120.0° |
| C2 | N | H | H2 | 120.0° | 123.9° |
| H4 | C4 | O6 | H6 | 120.5° | 180.0° |
| H4 | C4 | C3 | H3 | 139.5° | NaN° |
| H3 | C3 | O8 | H8 | 168.2° | 180.0° |
| H3 | C3 | C2 | H21C | 53.5° | 65.0° |
| H3 | C3 | C2 | H22C | 67.1° | 175.0° |
| H21C | C2 | N | H | 83.4° | 63.9° |
| H21C | C2 | N | H2 | 156.7° | 60.0° |
| H22C | C2 | N | H | 37.2° | 176.1° |
| H22C | C2 | N | H2 | 82.7° | 60.0° |
