2PR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OP3 | P | sing | 1.61Å | 1.62Å | |
| OP3 | HOP3 | sing | 0.97Å | 0.95Å | |
| P | OP1 | doub | 1.48Å | 1.47Å | |
| P | OP2 | sing | 1.61Å | 1.47Å | |
| P | O5' | sing | 1.61Å | 1.59Å | |
| OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
| O5' | C5' | sing | 1.43Å | 1.45Å | |
| C5' | C4' | sing | 1.53Å | 1.53Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'' | sing | 1.09Å | 1.10Å | |
| C4' | O4' | sing | 1.44Å | 1.44Å | |
| C4' | C3' | sing | 1.55Å | 1.53Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| O4' | C1' | sing | 1.44Å | 1.43Å | |
| C3' | O3' | sing | 1.43Å | 1.44Å | |
| C3' | C2' | sing | 1.55Å | 1.54Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C2' | C1' | sing | 1.54Å | 1.52Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C2' | H2'' | sing | 1.09Å | 1.10Å | |
| C1' | N9 | sing | 1.47Å | 1.46Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| N9 | C8 | sing | 1.36Å | 1.38Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.38Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.33Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N7 | C5 | sing | 1.36Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.42Å | Aromatic |
| C5 | C4 | doub | 1.41Å | 1.38Å | Aromatic |
| C6 | N1 | doub | 1.32Å | 1.36Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| N1 | C2 | sing | 1.33Å | 1.34Å | Aromatic |
| C2 | N2 | sing | 1.39Å | 1.34Å | |
| C2 | N3 | doub | 1.32Å | 1.34Å | Aromatic |
| N2 | HN21 | sing | 0.97Å | 1.00Å | |
| N2 | HN22 | sing | 0.97Å | 1.00Å | |
| N3 | C4 | sing | 1.33Å | 1.35Å | Aromatic |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| P | OP3 | HOP3 | 109.5° | 113.9° |
| OP3 | P | OP1 | 103.8° | 109.5° |
| OP3 | P | OP2 | 111.4° | 109.5° |
| OP3 | P | O5' | 101.0° | 109.5° |
| OP1 | P | OP2 | 118.2° | 109.4° |
| OP1 | P | O5' | 111.7° | 109.5° |
| OP2 | P | O5' | 109.2° | 109.5° |
| P | OP2 | HOP2 | 109.5° | 114.0° |
| P | O5' | C5' | 118.4° | 123.0° |
| O5' | C5' | C4' | 108.8° | 109.5° |
| O5' | C5' | H5' | 109.7° | 109.5° |
| O5' | C5' | H5'' | 109.8° | 109.4° |
| C4' | C5' | H5' | 109.7° | 109.5° |
| C4' | C5' | H5'' | 109.8° | 109.5° |
| C5' | C4' | O4' | 111.0° | 110.6° |
| C5' | C4' | C3' | 115.5° | 110.6° |
| C5' | C4' | H4' | 102.5° | 110.6° |
| H5' | C5' | H5'' | 109.0° | 109.4° |
| O4' | C4' | C3' | 103.7° | 103.5° |
| O4' | C4' | H4' | 114.6° | 110.6° |
| C4' | O4' | C1' | 113.0° | 107.0° |
| C3' | C4' | H4' | 109.9° | 110.7° |
| C4' | C3' | O3' | 108.7° | 110.9° |
| C4' | C3' | C2' | 102.4° | 102.1° |
| C4' | C3' | H3' | 116.3° | 110.9° |
| O4' | C1' | C2' | 104.1° | 107.3° |
| O4' | C1' | N9 | 100.1° | 109.9° |
| O4' | C1' | H1' | 121.0° | 109.9° |
| O3' | C3' | C2' | 114.6° | 110.9° |
| O3' | C3' | H3' | 104.6° | 110.8° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| C2' | C3' | H3' | 110.6° | 110.9° |
| C3' | C2' | C1' | 102.1° | 104.2° |
| C3' | C2' | H2' | 112.0° | 110.5° |
| C3' | C2' | H2'' | 113.5° | 110.5° |
| C1' | C2' | H2' | 112.0° | 110.5° |
| C1' | C2' | H2'' | 113.5° | 110.5° |
| C2' | C1' | N9 | 116.4° | 109.9° |
| C2' | C1' | H1' | 106.1° | 109.9° |
| H2' | C2' | H2'' | 104.0° | 110.5° |
| N9 | C1' | H1' | 109.6° | 110.0° |
| C1' | N9 | C8 | 128.7° | 126.2° |
| C1' | N9 | C4 | 124.6° | 126.3° |
| C8 | N9 | C4 | 106.4° | 107.5° |
| N9 | C8 | N7 | 112.7° | 110.1° |
| N9 | C8 | H8 | 123.7° | 125.0° |
| N9 | C4 | C5 | 105.9° | 106.0° |
| N9 | C4 | N3 | 127.2° | 134.9° |
| N7 | C8 | H8 | 123.6° | 124.9° |
| C8 | N7 | C5 | 104.2° | 109.5° |
| N7 | C5 | C6 | 132.8° | 134.6° |
| N7 | C5 | C4 | 110.8° | 107.0° |
| C6 | C5 | C4 | 116.4° | 118.3° |
| C5 | C6 | N1 | 118.1° | 118.7° |
| C5 | C6 | H6 | 121.0° | 120.7° |
| C5 | C4 | N3 | 126.9° | 119.1° |
| N1 | C6 | H6 | 121.0° | 120.6° |
| C6 | N1 | C2 | 118.8° | 121.3° |
| N1 | C2 | N2 | 115.6° | 118.9° |
| N1 | C2 | N3 | 128.5° | 122.1° |
| N2 | C2 | N3 | 115.9° | 119.0° |
| C2 | N2 | HN21 | 109.5° | 120.0° |
| C2 | N2 | HN22 | 109.5° | 119.9° |
| C2 | N3 | C4 | 111.2° | 120.4° |
| HN21 | N2 | HN22 | 109.5° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP3 | P | OP1 | OP2 | 123.9° | 120.0° |
| OP3 | P | OP1 | O5' | 108.0° | 120.0° |
| OP3 | P | OP2 | O5' | 110.7° | 120.0° |
| OP3 | P | OP2 | HOP2 | 51.1° | 60.0° |
| OP3 | P | O5' | C5' | 168.6° | 175.0° |
| HOP3 | OP3 | P | OP1 | 154.4° | 60.0° |
| HOP3 | OP3 | P | OP2 | 77.4° | 60.0° |
| HOP3 | OP3 | P | O5' | 38.6° | 180.0° |
| OP1 | P | OP2 | O5' | 129.2° | 120.0° |
| OP1 | P | OP2 | HOP2 | 68.9° | 180.0° |
| OP1 | P | O5' | C5' | 81.6° | 54.9° |
| OP2 | P | O5' | C5' | 51.0° | 65.0° |
| O5' | P | OP2 | HOP2 | 161.9° | 60.0° |
| P | O5' | C5' | C4' | 129.9° | 180.0° |
| P | O5' | C5' | H5' | 110.1° | 59.9° |
| P | O5' | C5' | H5'' | 9.7° | 60.0° |
| O5' | C5' | C4' | H5' | 120.0° | 120.1° |
| O5' | C5' | C4' | H5'' | 120.2° | 120.0° |
| O5' | C5' | H5' | H5'' | 120.3° | 119.9° |
| O5' | C5' | C4' | O4' | 179.9° | 66.5° |
| O5' | C5' | C4' | C3' | 62.2° | 179.4° |
| O5' | C5' | C4' | H4' | 57.4° | 56.4° |
| C4' | C5' | H5' | H5'' | 120.2° | 120.0° |
| C5' | C4' | O4' | C3' | 124.7° | 118.5° |
| C5' | C4' | O4' | H4' | 115.5° | 122.9° |
| C5' | C4' | C3' | H4' | 115.4° | 123.0° |
| C5' | C4' | O4' | C1' | 115.2° | 158.5° |
| C5' | C4' | C3' | O3' | 146.1° | 86.3° |
| C5' | C4' | C3' | C2' | 92.3° | 155.5° |
| C5' | C4' | C3' | H3' | 28.4° | 37.3° |
| H5' | C5' | C4' | O4' | 60.1° | 53.6° |
| H5' | C5' | C4' | C3' | 177.8° | 60.5° |
| H5' | C5' | C4' | H4' | 62.7° | 176.5° |
| H5'' | C5' | C4' | O4' | 59.6° | 173.6° |
| H5'' | C5' | C4' | C3' | 58.0° | 59.5° |
| H5'' | C5' | C4' | H4' | 177.6° | 63.6° |
| O4' | C4' | C3' | H4' | 122.9° | 118.5° |
| O4' | C4' | C3' | O3' | 92.3° | 155.2° |
| O4' | C4' | C3' | C2' | 29.3° | 37.0° |
| O4' | C4' | C3' | H3' | 150.1° | 81.2° |
| C4' | O4' | C1' | C2' | 14.8° | 26.5° |
| C4' | O4' | C1' | N9 | 135.5° | 145.9° |
| C4' | O4' | C1' | H1' | 104.2° | 92.9° |
| C3' | C4' | O4' | C1' | 9.5° | 40.0° |
| C4' | C3' | O3' | C2' | 113.9° | 112.7° |
| C4' | C3' | O3' | H3' | 124.8° | 123.7° |
| C4' | C3' | C2' | H3' | 124.6° | 118.2° |
| C4' | C3' | O3' | HO3' | 44.1° | 180.0° |
| C4' | C3' | C2' | C1' | 37.9° | 20.9° |
| C4' | C3' | C2' | H2' | 82.1° | 139.6° |
| C4' | C3' | C2' | H2'' | 160.5° | 97.8° |
| H4' | C4' | O4' | C1' | 129.3° | 78.6° |
| H4' | C4' | C3' | O3' | 30.7° | 36.7° |
| H4' | C4' | C3' | C2' | 152.3° | 81.5° |
| H4' | C4' | C3' | H3' | 87.0° | 160.3° |
| O4' | C1' | C2' | C3' | 32.5° | 2.0° |
| O4' | C1' | C2' | N9 | 109.1° | 119.5° |
| O4' | C1' | C2' | H1' | 128.7° | 119.4° |
| O4' | C1' | C2' | H2' | 87.5° | 116.7° |
| O4' | C1' | C2' | H2'' | 155.1° | 120.7° |
| O4' | C1' | N9 | H1' | 128.2° | 121.1° |
| O4' | C1' | N9 | C8 | 91.3° | 23.6° |
| O4' | C1' | N9 | C4 | 81.1° | 156.7° |
| O3' | C3' | C2' | H3' | 117.9° | 123.6° |
| O3' | C3' | C2' | C1' | 79.6° | 139.1° |
| O3' | C3' | C2' | H2' | 160.4° | 102.2° |
| O3' | C3' | C2' | H2'' | 43.1° | 20.4° |
| C2' | C3' | O3' | HO3' | 69.7° | 67.3° |
| C3' | C2' | C1' | H2' | 120.0° | 118.7° |
| C3' | C2' | C1' | H2'' | 122.6° | 118.7° |
| C3' | C2' | H2' | H2'' | 123.0° | 122.6° |
| C3' | C2' | C1' | N9 | 141.6° | 121.5° |
| C3' | C2' | C1' | H1' | 96.2° | 117.4° |
| H3' | C3' | O3' | HO3' | 169.0° | 56.3° |
| H3' | C3' | C2' | C1' | 162.5° | 97.4° |
| H3' | C3' | C2' | H2' | 42.5° | 21.3° |
| H3' | C3' | C2' | H2'' | 74.9° | 144.0° |
| C1' | C2' | H2' | H2'' | 123.0° | 122.6° |
| C2' | C1' | N9 | H1' | 120.4° | 121.1° |
| C2' | C1' | N9 | C8 | 20.0° | 94.3° |
| C2' | C1' | N9 | C4 | 167.6° | 85.4° |
| H2' | C2' | C1' | N9 | 21.6° | 2.8° |
| H2' | C2' | C1' | H1' | 143.8° | 123.9° |
| H2'' | C2' | C1' | N9 | 95.8° | 119.8° |
| H2'' | C2' | C1' | H1' | 26.5° | 1.3° |
| C1' | N9 | C8 | C4 | 173.5° | 179.7° |
| C1' | N9 | C8 | N7 | 176.0° | 180.0° |
| C1' | N9 | C8 | H8 | 4.0° | 0.0° |
| C1' | N9 | C4 | C5 | 175.6° | 179.9° |
| C1' | N9 | C4 | N3 | 4.2° | 0.8° |
| H1' | C1' | N9 | C8 | 140.4° | 144.7° |
| H1' | C1' | N9 | C4 | 47.2° | 35.6° |
| N9 | C8 | N7 | H8 | 180.0° | 179.9° |
| N9 | C8 | N7 | C5 | 2.1° | 0.0° |
| C8 | N9 | C4 | C5 | 1.7° | 0.4° |
| C8 | N9 | C4 | N3 | 178.0° | 179.5° |
| C4 | N9 | C8 | N7 | 2.5° | 0.2° |
| C4 | N9 | C8 | H8 | 177.5° | 179.7° |
| N9 | C4 | C5 | N7 | 0.6° | 0.4° |
| N9 | C4 | C5 | C6 | 179.5° | 179.8° |
| N9 | C4 | C5 | N3 | 179.8° | 179.2° |
| N9 | C4 | N3 | C2 | 179.2° | 179.6° |
| C8 | N7 | C5 | C6 | 179.1° | 180.0° |
| C8 | N7 | C5 | C4 | 0.9° | 0.3° |
| H8 | C8 | N7 | C5 | 177.9° | 180.0° |
| N7 | C5 | C6 | C4 | 180.0° | 179.7° |
| N7 | C5 | C6 | N1 | 180.0° | 180.0° |
| N7 | C5 | C6 | H6 | 0.1° | 0.1° |
| N7 | C5 | C4 | N3 | 179.2° | 179.7° |
| C5 | C6 | N1 | H6 | 180.0° | 179.9° |
| C5 | C6 | N1 | C2 | 0.5° | 0.0° |
| C6 | C5 | C4 | N3 | 0.8° | 0.6° |
| C4 | C5 | C6 | N1 | 0.1° | 0.3° |
| C4 | C5 | C6 | H6 | 179.9° | 179.8° |
| C5 | C4 | N3 | C2 | 1.1° | 0.6° |
| C6 | N1 | C2 | N2 | 179.4° | 180.0° |
| C6 | N1 | C2 | N3 | 0.1° | 0.0° |
| H6 | C6 | N1 | C2 | 179.5° | 179.9° |
| N1 | C2 | N2 | N3 | 179.3° | 180.0° |
| N1 | C2 | N2 | HN21 | 36.1° | 0.0° |
| N1 | C2 | N2 | HN22 | 83.9° | 180.0° |
| N1 | C2 | N3 | C4 | 0.6° | 0.3° |
| C2 | N2 | HN21 | HN22 | 120.0° | 179.9° |
| N2 | C2 | N3 | C4 | 178.7° | 179.7° |
| N3 | C2 | N2 | HN21 | 144.6° | 180.0° |
| N3 | C2 | N2 | HN22 | 95.4° | 0.0° |
