PRA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.49Å | |
| C1 | N | sing | 1.47Å | 1.46Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | C3 | sing | 1.53Å | 1.49Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | C1' | sing | 1.51Å | 1.50Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C1' | C2' | doub | 1.38Å | 1.38Å | Aromatic |
| C1' | C6' | sing | 1.38Å | 1.38Å | Aromatic |
| C2' | C3' | sing | 1.38Å | 1.38Å | Aromatic |
| C2' | H2' | sing | 1.08Å | 1.08Å | |
| C3' | C4' | doub | 1.38Å | 1.38Å | Aromatic |
| C3' | H3' | sing | 1.08Å | 1.08Å | |
| C4' | C5' | sing | 1.38Å | 1.39Å | Aromatic |
| C4' | H4' | sing | 1.08Å | 1.08Å | |
| C5' | C6' | doub | 1.38Å | 1.38Å | Aromatic |
| C5' | H5' | sing | 1.08Å | 1.08Å | |
| C6' | H6' | sing | 1.08Å | 1.08Å | |
| N | HN1 | sing | 1.01Å | 1.00Å | |
| N | HN2 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | N | 117.8° | 109.5° |
| C2 | C1 | H11 | 107.4° | 109.4° |
| C2 | C1 | H12 | 107.3° | 109.4° |
| C1 | C2 | C3 | 102.7° | 109.5° |
| C1 | C2 | H21 | 111.2° | 109.4° |
| C1 | C2 | H22 | 111.1° | 109.5° |
| N | C1 | H11 | 107.3° | 109.5° |
| N | C1 | H12 | 107.4° | 109.5° |
| C1 | N | HN1 | 109.5° | 111.0° |
| C1 | N | HN2 | 109.4° | 111.0° |
| H11 | C1 | H12 | 109.5° | 109.5° |
| C3 | C2 | H21 | 111.1° | 109.5° |
| C3 | C2 | H22 | 111.2° | 109.5° |
| C2 | C3 | C1' | 113.2° | 109.5° |
| C2 | C3 | H31 | 108.5° | 109.5° |
| C2 | C3 | H32 | 108.5° | 109.4° |
| H21 | C2 | H22 | 109.5° | 109.5° |
| C1' | C3 | H31 | 108.5° | 109.5° |
| C1' | C3 | H32 | 108.5° | 109.5° |
| C3 | C1' | C2' | 115.6° | 120.0° |
| C3 | C1' | C6' | 116.7° | 120.0° |
| H31 | C3 | H32 | 109.5° | 109.4° |
| C2' | C1' | C6' | 120.5° | 120.0° |
| C1' | C2' | C3' | 119.8° | 120.0° |
| C1' | C2' | H2' | 120.1° | 120.0° |
| C1' | C6' | C5' | 119.4° | 120.0° |
| C1' | C6' | H6' | 120.3° | 120.0° |
| C3' | C2' | H2' | 120.1° | 120.0° |
| C2' | C3' | C4' | 120.0° | 120.0° |
| C2' | C3' | H3' | 120.0° | 120.0° |
| C4' | C3' | H3' | 120.0° | 120.0° |
| C3' | C4' | C5' | 120.1° | 120.0° |
| C3' | C4' | H4' | 120.0° | 120.0° |
| C5' | C4' | H4' | 119.9° | 120.1° |
| C4' | C5' | C6' | 120.2° | 120.0° |
| C4' | C5' | H5' | 119.9° | 120.0° |
| C6' | C5' | H5' | 119.9° | 120.0° |
| C5' | C6' | H6' | 120.3° | 120.0° |
| HN1 | N | HN2 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | N | H11 | 121.2° | 120.0° |
| C2 | C1 | N | H12 | 121.2° | 120.0° |
| C2 | C1 | H11 | H12 | 116.2° | 120.0° |
| C1 | C2 | C3 | H21 | 118.9° | 120.0° |
| C1 | C2 | C3 | H22 | 118.9° | 120.0° |
| C1 | C2 | H21 | H22 | 123.1° | 120.0° |
| C1 | C2 | C3 | C1' | 160.2° | 180.0° |
| C1 | C2 | C3 | H31 | 39.6° | 59.9° |
| C1 | C2 | C3 | H32 | 79.3° | 60.0° |
| C2 | C1 | N | HN1 | 180.0° | 180.0° |
| C2 | C1 | N | HN2 | 60.0° | 56.1° |
| N | C1 | H11 | H12 | 116.2° | 120.1° |
| N | C1 | C2 | C3 | 65.7° | 180.0° |
| N | C1 | C2 | H21 | 53.3° | 60.0° |
| N | C1 | C2 | H22 | 175.4° | 60.0° |
| C1 | N | HN1 | HN2 | 120.0° | 124.0° |
| H11 | C1 | C2 | C3 | 55.5° | 60.0° |
| H11 | C1 | C2 | H21 | 174.4° | 60.0° |
| H11 | C1 | C2 | H22 | 63.4° | 180.0° |
| H11 | C1 | N | HN1 | 58.8° | 60.0° |
| H11 | C1 | N | HN2 | 178.8° | 176.0° |
| H12 | C1 | C2 | C3 | 173.2° | 60.0° |
| H12 | C1 | C2 | H21 | 67.9° | 180.0° |
| H12 | C1 | C2 | H22 | 54.2° | 60.0° |
| H12 | C1 | N | HN1 | 58.8° | 60.0° |
| H12 | C1 | N | HN2 | 61.2° | 63.9° |
| C3 | C2 | H21 | H22 | 123.2° | 120.0° |
| C2 | C3 | C1' | H31 | 120.6° | 120.0° |
| C2 | C3 | C1' | H32 | 120.6° | 120.0° |
| C2 | C3 | H31 | H32 | 118.3° | 119.9° |
| C2 | C3 | C1' | C2' | 146.6° | 90.0° |
| C2 | C3 | C1' | C6' | 62.8° | 90.3° |
| H21 | C2 | C3 | C1' | 80.9° | 60.0° |
| H21 | C2 | C3 | H31 | 158.5° | 179.9° |
| H21 | C2 | C3 | H32 | 39.6° | 60.0° |
| H22 | C2 | C3 | C1' | 41.3° | 60.0° |
| H22 | C2 | C3 | H31 | 79.3° | 60.1° |
| H22 | C2 | C3 | H32 | 161.8° | 180.0° |
| C1' | C3 | H31 | H32 | 118.3° | 120.0° |
| C3 | C1' | C2' | C6' | 149.3° | 179.7° |
| C3 | C1' | C2' | C3' | 148.6° | 180.0° |
| C3 | C1' | C2' | H2' | 31.4° | 0.0° |
| C3 | C1' | C6' | C5' | 148.3° | 179.8° |
| C3 | C1' | C6' | H6' | 31.7° | 0.0° |
| H31 | C3 | C1' | C2' | 92.8° | 30.0° |
| H31 | C3 | C1' | C6' | 57.7° | 149.7° |
| H32 | C3 | C1' | C2' | 26.1° | 150.0° |
| H32 | C3 | C1' | C6' | 176.6° | 29.7° |
| C1' | C2' | C3' | H2' | 180.0° | 180.0° |
| C1' | C2' | C3' | C4' | 0.2° | 0.0° |
| C1' | C2' | C3' | H3' | 179.8° | 179.9° |
| C2' | C1' | C6' | C5' | 0.7° | 0.5° |
| C2' | C1' | C6' | H6' | 179.3° | 179.7° |
| C6' | C1' | C2' | C3' | 0.7° | 0.3° |
| C6' | C1' | C2' | H2' | 179.3° | 179.8° |
| C1' | C6' | C5' | C4' | 0.2° | 0.4° |
| C1' | C6' | C5' | H6' | 180.0° | 179.8° |
| C1' | C6' | C5' | H5' | 179.8° | 179.8° |
| C2' | C3' | C4' | H3' | 180.0° | 179.9° |
| C2' | C3' | C4' | C5' | 0.3° | 0.0° |
| C2' | C3' | C4' | H4' | 179.7° | 180.0° |
| H2' | C2' | C3' | C4' | 179.8° | 180.0° |
| H2' | C2' | C3' | H3' | 0.2° | 0.1° |
| C3' | C4' | C5' | H4' | 180.0° | 180.0° |
| C3' | C4' | C5' | C6' | 0.3° | 0.2° |
| C3' | C4' | C5' | H5' | 179.7° | 180.0° |
| H3' | C3' | C4' | C5' | 179.7° | 179.9° |
| H3' | C3' | C4' | H4' | 0.3° | 0.1° |
| C4' | C5' | C6' | H5' | 180.0° | 179.8° |
| C4' | C5' | C6' | H6' | 179.8° | 179.7° |
| H4' | C4' | C5' | C6' | 179.7° | 179.8° |
| H4' | C4' | C5' | H5' | 0.3° | 0.0° |
| H5' | C5' | C6' | H6' | 0.2° | 0.1° |
