RPQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C3 | sing | 1.43Å | 1.43Å | |
| O2 | C2 | sing | 1.43Å | 1.43Å | |
| C3 | C4 | sing | 1.53Å | 1.55Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| O4 | C4 | sing | 1.43Å | 1.44Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C2 | C1 | sing | 1.51Å | 1.47Å | |
| C1 | N20 | doub | 1.30Å | 1.36Å | Aromatic |
| C1 | N5 | sing | 1.35Å | 1.32Å | Aromatic |
| C5 | N5 | sing | 1.47Å | 1.47Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| N20 | N2 | sing | 1.29Å | 1.40Å | Aromatic |
| N5 | N1 | sing | 1.28Å | 1.41Å | Aromatic |
| N2 | N1 | doub | 1.29Å | 1.40Å | Aromatic |
| O3 | H1 | sing | 0.97Å | 0.95Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| O4 | H4 | sing | 0.97Å | 0.95Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| O2 | H6 | sing | 0.97Å | 0.95Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C3 | C4 | 108.9° | 109.5° |
| O3 | C3 | C2 | 108.8° | 109.5° |
| C3 | O3 | H1 | 109.5° | 114.0° |
| O3 | C3 | H2 | 108.1° | 109.5° |
| O2 | C2 | C3 | 112.7° | 109.7° |
| O2 | C2 | C1 | 107.6° | 109.7° |
| O2 | C2 | H5 | 109.0° | 109.7° |
| C2 | O2 | H6 | 109.5° | 114.0° |
| C4 | C3 | C2 | 117.2° | 109.2° |
| C3 | C4 | O4 | 108.5° | 109.5° |
| C3 | C4 | C5 | 114.8° | 109.6° |
| C4 | C3 | H2 | 106.7° | 109.5° |
| C3 | C4 | H3 | 107.7° | 109.5° |
| C3 | C2 | C1 | 111.4° | 108.2° |
| C2 | C3 | H2 | 106.9° | 109.6° |
| C3 | C2 | H5 | 107.6° | 109.8° |
| O4 | C4 | C5 | 108.9° | 109.4° |
| O4 | C4 | H3 | 109.0° | 109.4° |
| C4 | O4 | H4 | 109.5° | 114.0° |
| C4 | C5 | N5 | 104.2° | 108.8° |
| C4 | C5 | C6 | 114.7° | 109.6° |
| C5 | C4 | H3 | 107.9° | 109.4° |
| C4 | C5 | H7 | 108.6° | 109.6° |
| C2 | C1 | N20 | 128.5° | 128.6° |
| C2 | C1 | N5 | 121.6° | 124.5° |
| C1 | C2 | H5 | 108.5° | 109.7° |
| N20 | C1 | N5 | 109.8° | 107.0° |
| C1 | N20 | N2 | 103.6° | 107.8° |
| C1 | N5 | C5 | 126.6° | 124.6° |
| C1 | N5 | N1 | 113.4° | 107.2° |
| N5 | C5 | C6 | 110.9° | 109.6° |
| C5 | N5 | N1 | 120.0° | 128.3° |
| N5 | C5 | H7 | 109.5° | 109.5° |
| C6 | C5 | H7 | 108.7° | 109.7° |
| C5 | C6 | H8 | 109.5° | 109.5° |
| C5 | C6 | H9 | 109.5° | 109.5° |
| C5 | C6 | H10 | 109.5° | 109.5° |
| N20 | N2 | N1 | 113.9° | 109.5° |
| N5 | N1 | N2 | 99.2° | 108.6° |
| H8 | C6 | H9 | 109.5° | 109.4° |
| H8 | C6 | H10 | 109.5° | 109.5° |
| H9 | C6 | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C3 | C2 | O2 | 9.9° | 48.6° |
| O3 | C3 | C4 | C2 | 123.9° | 119.9° |
| O3 | C3 | C4 | H2 | 116.5° | 120.1° |
| O3 | C3 | C2 | H2 | 116.5° | 120.1° |
| O3 | C3 | C4 | O4 | 86.5° | 50.9° |
| O3 | C3 | C4 | C5 | 151.5° | 170.9° |
| O3 | C3 | C2 | C1 | 111.0° | 168.3° |
| O3 | C3 | C4 | H3 | 31.4° | 69.1° |
| O3 | C3 | C2 | H5 | 130.2° | 72.0° |
| O2 | C2 | C3 | C4 | 133.9° | 71.3° |
| O2 | C2 | C3 | C1 | 121.0° | 119.7° |
| O2 | C2 | C3 | H5 | 120.3° | 120.6° |
| O2 | C2 | C1 | H5 | 117.8° | 120.6° |
| O2 | C2 | C1 | N20 | 26.8° | 75.9° |
| O2 | C2 | C1 | N5 | 152.9° | 104.0° |
| O2 | C2 | C3 | H2 | 106.5° | 168.7° |
| C4 | C3 | C2 | H2 | 119.6° | 120.0° |
| C3 | C4 | O4 | C5 | 125.6° | 120.1° |
| C3 | C4 | O4 | H3 | 117.0° | 120.0° |
| C3 | C4 | C5 | H3 | 120.0° | 120.0° |
| C4 | C3 | C2 | C1 | 13.0° | 48.4° |
| C3 | C4 | C5 | N5 | 50.5° | 50.4° |
| C3 | C4 | C5 | C6 | 172.0° | 170.2° |
| C4 | C3 | O3 | H1 | 180.0° | 180.0° |
| C3 | C4 | O4 | H4 | 180.0° | 60.0° |
| C4 | C3 | C2 | H5 | 105.8° | 168.1° |
| C3 | C4 | C5 | H7 | 66.2° | 69.3° |
| C2 | C3 | C4 | O4 | 149.6° | 170.8° |
| C2 | C3 | C4 | C5 | 27.6° | 69.2° |
| C3 | C2 | C1 | H5 | 118.3° | 119.7° |
| C3 | C2 | C1 | N20 | 150.7° | 164.4° |
| C3 | C2 | C1 | N5 | 29.0° | 15.7° |
| C2 | C3 | O3 | H1 | 51.2° | 60.3° |
| C2 | C3 | C4 | H3 | 92.5° | 50.8° |
| C3 | C2 | O2 | H6 | 180.0° | 180.0° |
| O4 | C4 | C5 | H3 | 118.2° | 119.9° |
| O4 | C4 | C5 | N5 | 172.4° | 170.5° |
| O4 | C4 | C5 | C6 | 66.1° | 69.7° |
| O4 | C4 | C3 | H2 | 30.0° | 69.2° |
| O4 | C4 | C5 | H7 | 55.7° | 50.7° |
| C4 | C5 | N5 | C1 | 39.8° | 17.2° |
| C4 | C5 | N5 | C6 | 124.0° | 119.8° |
| C4 | C5 | N5 | H7 | 116.0° | 119.8° |
| C4 | C5 | C6 | H7 | 121.8° | 120.4° |
| C4 | C5 | N5 | N1 | 139.3° | 162.6° |
| C5 | C4 | C3 | H2 | 92.1° | 50.8° |
| C5 | C4 | O4 | H4 | 54.4° | 179.9° |
| C4 | C5 | C6 | H8 | 180.0° | 60.0° |
| C4 | C5 | C6 | H9 | 60.0° | 180.0° |
| C4 | C5 | C6 | H10 | 60.0° | 60.0° |
| C2 | C1 | N20 | N5 | 179.7° | 180.0° |
| C2 | C1 | N5 | C5 | 0.8° | 0.2° |
| C2 | C1 | N20 | N2 | 179.8° | 179.9° |
| C2 | C1 | N5 | N1 | 180.0° | 180.0° |
| C1 | C2 | C3 | H2 | 132.5° | 71.6° |
| C1 | C2 | O2 | H6 | 56.9° | 61.2° |
| N20 | C1 | N5 | C5 | 179.0° | 179.8° |
| N20 | C1 | N5 | N1 | 0.2° | 0.1° |
| C1 | N20 | N2 | N1 | 0.1° | 0.1° |
| N20 | C1 | C2 | H5 | 91.0° | 44.6° |
| C1 | N5 | C5 | N1 | 179.1° | 179.8° |
| C1 | N5 | C5 | C6 | 163.8° | 137.1° |
| N5 | C1 | N20 | N2 | 0.1° | 0.1° |
| C1 | N5 | N1 | N2 | 0.2° | 0.0° |
| N5 | C1 | C2 | H5 | 89.3° | 135.4° |
| C1 | N5 | C5 | H7 | 76.2° | 102.6° |
| N5 | C5 | C6 | H7 | 120.5° | 120.3° |
| C5 | N5 | N1 | N2 | 179.0° | 179.8° |
| N5 | C5 | C4 | H3 | 69.5° | 69.6° |
| N5 | C5 | C6 | H8 | 62.3° | 179.4° |
| N5 | C5 | C6 | H9 | 57.8° | 60.7° |
| N5 | C5 | C6 | H10 | 177.8° | 59.4° |
| C6 | C5 | N5 | N1 | 15.3° | 42.8° |
| C6 | C5 | C4 | H3 | 52.0° | 50.2° |
| C5 | C6 | H8 | H9 | 120.0° | 120.0° |
| C5 | C6 | H8 | H10 | 120.0° | 120.0° |
| C5 | C6 | H9 | H10 | 120.0° | 120.0° |
| N20 | N2 | N1 | N5 | 0.2° | 0.1° |
| N1 | N5 | C5 | H7 | 104.7° | 77.6° |
| H1 | O3 | C3 | H2 | 64.4° | 59.9° |
| H2 | C3 | C4 | H3 | 147.9° | 170.8° |
| H2 | C3 | C2 | H5 | 13.7° | 48.1° |
| H3 | C4 | O4 | H4 | 63.0° | 60.0° |
| H3 | C4 | C5 | H7 | 173.9° | 170.6° |
| H5 | C2 | O2 | H6 | 60.6° | 59.4° |
| H7 | C5 | C6 | H8 | 58.2° | 60.4° |
| H7 | C5 | C6 | H9 | 178.2° | 59.6° |
| H7 | C5 | C6 | H10 | 61.8° | 179.6° |
| H8 | C6 | H9 | H10 | 120.0° | 120.0° |
