PRZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | doub | 1.32Å | 1.35Å | Aromatic |
| N1 | C6 | sing | 1.32Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.42Å | Aromatic |
| C2 | C21 | sing | 1.51Å | 1.58Å | |
| C3 | N4 | doub | 1.33Å | 1.40Å | Aromatic |
| C3 | O31 | sing | 1.36Å | 1.24Å | |
| N4 | C5 | sing | 1.32Å | 1.44Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.44Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C21 | C22 | sing | 1.53Å | 1.65Å | |
| C21 | H212 | sing | 1.09Å | 1.11Å | |
| C21 | H211 | sing | 1.09Å | 1.12Å | |
| C22 | C23 | sing | 1.53Å | 1.44Å | |
| C22 | C24 | sing | 1.53Å | 1.55Å | |
| C22 | H22 | sing | 1.09Å | 1.11Å | |
| C23 | H233 | sing | 1.09Å | 1.11Å | |
| C23 | H232 | sing | 1.09Å | 1.11Å | |
| C23 | H231 | sing | 1.09Å | 1.11Å | |
| C24 | H243 | sing | 1.09Å | 1.11Å | |
| C24 | H242 | sing | 1.09Å | 1.12Å | |
| C24 | H241 | sing | 1.09Å | 1.12Å | |
| O31 | C31 | sing | 1.43Å | 1.43Å | |
| C31 | H313 | sing | 1.09Å | 1.12Å | |
| C31 | H312 | sing | 1.09Å | 1.11Å | |
| C31 | H311 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C6 | 123.6° | 120.0° |
| N1 | C2 | C3 | 120.5° | 120.0° |
| N1 | C2 | C21 | 120.2° | 119.9° |
| N1 | C6 | C5 | 116.9° | 120.1° |
| N1 | C6 | H6 | 119.6° | 120.0° |
| C3 | C2 | C21 | 118.9° | 120.1° |
| C2 | C3 | N4 | 120.1° | 119.8° |
| C2 | C3 | O31 | 114.4° | 120.1° |
| C2 | C21 | C22 | 112.0° | 109.5° |
| C2 | C21 | H212 | 111.2° | 109.4° |
| C2 | C21 | H211 | 111.2° | 109.5° |
| N4 | C3 | O31 | 125.1° | 120.1° |
| C3 | N4 | C5 | 118.1° | 119.9° |
| C3 | O31 | C31 | 119.7° | 106.8° |
| N4 | C5 | C6 | 120.2° | 120.1° |
| N4 | C5 | H5 | 119.8° | 119.9° |
| C6 | C5 | H5 | 120.0° | 119.9° |
| C5 | C6 | H6 | 123.5° | 119.9° |
| C22 | C21 | H212 | 111.3° | 109.5° |
| C22 | C21 | H211 | 111.3° | 109.5° |
| C21 | C22 | C23 | 126.9° | 109.5° |
| C21 | C22 | C24 | 120.9° | 109.5° |
| C21 | C22 | H22 | 39.0° | 109.5° |
| H212 | C21 | H211 | 99.1° | 109.4° |
| C23 | C22 | C24 | 112.0° | 109.5° |
| C23 | C22 | H22 | 99.5° | 109.4° |
| C22 | C23 | H233 | 126.9° | 109.6° |
| C22 | C23 | H232 | 106.1° | 109.4° |
| C22 | C23 | H231 | 106.0° | 109.4° |
| C24 | C22 | H22 | 139.4° | 109.4° |
| C22 | C24 | H243 | 120.9° | 109.4° |
| C22 | C24 | H242 | 108.1° | 109.5° |
| C22 | C24 | H241 | 108.1° | 109.5° |
| H233 | C23 | H232 | 106.1° | 109.5° |
| H233 | C23 | H231 | 106.1° | 109.4° |
| H232 | C23 | H231 | 103.4° | 109.5° |
| H243 | C24 | H242 | 108.1° | 109.4° |
| H243 | C24 | H241 | 108.2° | 109.5° |
| H242 | C24 | H241 | 101.7° | 109.5° |
| O31 | C31 | H313 | 119.6° | 109.5° |
| O31 | C31 | H312 | 108.5° | 109.5° |
| O31 | C31 | H311 | 108.5° | 109.5° |
| H313 | C31 | H312 | 108.6° | 109.5° |
| H313 | C31 | H311 | 108.6° | 109.5° |
| H312 | C31 | H311 | 101.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | C3 | C21 | 173.0° | 179.5° |
| N1 | C2 | C3 | N4 | 2.8° | 0.5° |
| N1 | C2 | C3 | O31 | 170.0° | 179.7° |
| C2 | N1 | C6 | C5 | 4.1° | 0.4° |
| C2 | N1 | C6 | H6 | 175.9° | 179.7° |
| N1 | C2 | C21 | C22 | 129.0° | 90.0° |
| N1 | C2 | C21 | H212 | 105.7° | 150.0° |
| N1 | C2 | C21 | H211 | 3.7° | 30.0° |
| C6 | N1 | C2 | C3 | 1.5° | 0.6° |
| C6 | N1 | C2 | C21 | 171.5° | 180.0° |
| N1 | C6 | C5 | N4 | 8.5° | 0.1° |
| N1 | C6 | C5 | H6 | 180.0° | 179.9° |
| N1 | C6 | C5 | H5 | 171.4° | 180.0° |
| C2 | C3 | N4 | O31 | 172.0° | 179.8° |
| C2 | C3 | N4 | C5 | 1.7° | 0.2° |
| C3 | C2 | C21 | C22 | 44.1° | 90.5° |
| C3 | C2 | C21 | H212 | 81.2° | 29.4° |
| C3 | C2 | C21 | H211 | 169.4° | 149.4° |
| C2 | C3 | O31 | C31 | 179.3° | 179.8° |
| C21 | C2 | C3 | N4 | 170.2° | 180.0° |
| C21 | C2 | C3 | O31 | 16.9° | 0.3° |
| C2 | C21 | C22 | H212 | 125.2° | 119.9° |
| C2 | C21 | C22 | H211 | 125.2° | 120.1° |
| C2 | C21 | H212 | H211 | 117.1° | 120.0° |
| C2 | C21 | C22 | C23 | 155.9° | 179.9° |
| C2 | C21 | C22 | C24 | 29.1° | 60.0° |
| C2 | C21 | C22 | H22 | 102.7° | 60.0° |
| C3 | N4 | C5 | C6 | 7.3° | 0.1° |
| C3 | N4 | C5 | H5 | 172.6° | 180.0° |
| N4 | C3 | O31 | C31 | 6.8° | 0.0° |
| O31 | C3 | N4 | C5 | 173.7° | 180.0° |
| C3 | O31 | C31 | H313 | 180.0° | 180.0° |
| C3 | O31 | C31 | H312 | 54.7° | 60.0° |
| C3 | O31 | C31 | H311 | 54.8° | 60.0° |
| N4 | C5 | C6 | H5 | 180.0° | 179.9° |
| N4 | C5 | C6 | H6 | 171.5° | 180.0° |
| H5 | C5 | C6 | H6 | 8.6° | 0.1° |
| C22 | C21 | H212 | H211 | 117.2° | 120.0° |
| C21 | C22 | C23 | C24 | 175.4° | 120.1° |
| C21 | C22 | C23 | H22 | 30.7° | 120.0° |
| C21 | C22 | C24 | H22 | 46.1° | 120.0° |
| C21 | C22 | C23 | H233 | 180.0° | 180.0° |
| C21 | C22 | C23 | H232 | 54.7° | 60.0° |
| C21 | C22 | C23 | H231 | 54.7° | 60.0° |
| C21 | C22 | C24 | H243 | 180.0° | 60.0° |
| C21 | C22 | C24 | H242 | 54.7° | 60.0° |
| C21 | C22 | C24 | H241 | 54.7° | 180.0° |
| H212 | C21 | C22 | C23 | 30.6° | 60.0° |
| H212 | C21 | C22 | C24 | 154.3° | 180.0° |
| H212 | C21 | C22 | H22 | 22.5° | 60.0° |
| H211 | C21 | C22 | C23 | 78.9° | 60.0° |
| H211 | C21 | C22 | C24 | 96.1° | 60.1° |
| H211 | C21 | C22 | H22 | 132.0° | 180.0° |
| C23 | C22 | C24 | H22 | 138.2° | 119.9° |
| C22 | C23 | H233 | H232 | 125.3° | 120.0° |
| C22 | C23 | H233 | H231 | 125.2° | 119.9° |
| C22 | C23 | H232 | H231 | 111.3° | 119.9° |
| C23 | C22 | C24 | H243 | 4.2° | 60.1° |
| C23 | C22 | C24 | H242 | 121.0° | 180.0° |
| C23 | C22 | C24 | H241 | 129.6° | 59.9° |
| C24 | C22 | C23 | H233 | 4.6° | 59.9° |
| C24 | C22 | C23 | H232 | 129.9° | 180.0° |
| C24 | C22 | C23 | H231 | 120.7° | 60.1° |
| C22 | C24 | H243 | H242 | 125.3° | 120.0° |
| C22 | C24 | H243 | H241 | 125.3° | 120.0° |
| C22 | C24 | H242 | H241 | 113.8° | 120.1° |
| H22 | C22 | C23 | H233 | 149.3° | 60.0° |
| H22 | C22 | C23 | H232 | 24.0° | 60.1° |
| H22 | C22 | C23 | H231 | 85.4° | 180.0° |
| H22 | C22 | C24 | H243 | 133.9° | 180.0° |
| H22 | C22 | C24 | H242 | 100.8° | 60.1° |
| H22 | C22 | C24 | H241 | 8.6° | 60.0° |
| H233 | C23 | H232 | H231 | 111.5° | 120.0° |
| H243 | C24 | H242 | H241 | 113.7° | 120.0° |
| O31 | C31 | H313 | H312 | 125.2° | 120.0° |
| O31 | C31 | H313 | H311 | 125.2° | 120.0° |
| O31 | C31 | H312 | H311 | 114.2° | 120.0° |
| H313 | C31 | H312 | H311 | 114.3° | 120.0° |
