PPW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | OP1 | doub | 1.50Å | 1.48Å | |
| P | OP2 | sing | 1.62Å | 1.48Å | |
| P | O5' | sing | 1.62Å | 1.59Å | |
| P | OP3 | sing | 1.62Å | 51.29Å | |
| OP2 | HOP2 | sing | 0.98Å | 0.95Å | |
| O5' | C5' | sing | 1.42Å | 1.42Å | |
| N9 | C4 | sing | 1.36Å | 1.37Å | Aromatic |
| N9 | N8 | sing | 1.35Å | 1.38Å | Aromatic |
| N9 | C1' | sing | 1.46Å | 1.46Å | |
| C4 | N3 | sing | 1.35Å | 1.35Å | |
| C4 | C5 | doub | 1.37Å | 1.38Å | Aromatic |
| N3 | C2 | doub | 1.31Å | 1.32Å | |
| C2 | N2 | sing | 1.37Å | 1.34Å | |
| C2 | N1 | sing | 1.41Å | 1.38Å | |
| N2 | HN21 | sing | 0.99Å | 1.02Å | |
| N2 | HN22 | sing | 0.99Å | 1.02Å | |
| N1 | C6 | sing | 1.40Å | 1.39Å | |
| N1 | HN1 | sing | 1.02Å | 1.02Å | |
| C6 | O6 | doub | 1.23Å | 1.24Å | |
| C6 | C5 | sing | 1.44Å | 1.42Å | |
| C5 | C7 | sing | 1.40Å | 1.41Å | Aromatic |
| N8 | C7 | doub | 1.34Å | 1.31Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.10Å | |
| C2' | C1' | sing | 1.52Å | 1.52Å | |
| C2' | C3' | sing | 1.51Å | 1.52Å | |
| C2' | H2' | sing | 1.10Å | 1.11Å | |
| C2' | H2'' | sing | 1.09Å | 1.11Å | |
| C5' | C4' | sing | 1.52Å | 1.51Å | |
| C5' | H5' | sing | 1.09Å | 1.12Å | |
| C5' | H5'' | sing | 1.09Å | 1.12Å | |
| C4' | O4' | sing | 1.44Å | 1.45Å | |
| C4' | C3' | sing | 1.52Å | 1.52Å | |
| C4' | H4' | sing | 1.10Å | 1.12Å | |
| O4' | C1' | sing | 1.44Å | 1.42Å | |
| C1' | H1' | sing | 1.10Å | 1.12Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | H3' | sing | 1.09Å | 1.11Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| OP3 | HOP3 | sing | 0.98Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OP1 | P | OP2 | 119.6° | 115.3° |
| OP1 | P | O5' | 107.9° | 115.0° |
| OP1 | P | OP3 | 102.7° | 115.0° |
| OP2 | P | O5' | 108.6° | 103.7° |
| OP2 | P | OP3 | 63.9° | 103.3° |
| P | OP2 | HOP2 | 119.6° | 118.9° |
| O5' | P | OP3 | 55.6° | 102.9° |
| P | O5' | C5' | 121.0° | 118.5° |
| P | OP3 | HOP3 | 102.8° | 118.9° |
| O5' | C5' | C4' | 109.9° | 108.7° |
| O5' | C5' | H5' | 112.1° | 109.2° |
| O5' | C5' | H5'' | 112.0° | 109.2° |
| C4 | N9 | N8 | 106.8° | 113.1° |
| C4 | N9 | C1' | 125.6° | 127.3° |
| N9 | C4 | N3 | 125.6° | 125.1° |
| N9 | C4 | C5 | 105.5° | 106.0° |
| N8 | N9 | C1' | 127.6° | 119.7° |
| N9 | N8 | C7 | 113.3° | 103.7° |
| N9 | C1' | C2' | 114.8° | 114.3° |
| N9 | C1' | O4' | 107.2° | 110.0° |
| N9 | C1' | H1' | 106.4° | 105.9° |
| N3 | C4 | C5 | 128.8° | 128.9° |
| C4 | N3 | C2 | 111.9° | 113.3° |
| C4 | C5 | C6 | 118.8° | 119.0° |
| C4 | C5 | C7 | 110.6° | 105.1° |
| N3 | C2 | N2 | 119.6° | 122.1° |
| N3 | C2 | N1 | 124.0° | 122.5° |
| N2 | C2 | N1 | 116.4° | 115.4° |
| C2 | N2 | HN21 | 108.6° | 118.3° |
| C2 | N2 | HN22 | 119.6° | 118.3° |
| C2 | N1 | C6 | 125.2° | 125.2° |
| C2 | N1 | HN1 | 116.9° | 117.5° |
| HN21 | N2 | HN22 | 108.6° | 123.4° |
| C6 | N1 | HN1 | 117.9° | 117.4° |
| N1 | C6 | O6 | 119.9° | 125.2° |
| N1 | C6 | C5 | 111.3° | 111.1° |
| O6 | C6 | C5 | 128.8° | 123.8° |
| C6 | C5 | C7 | 130.6° | 135.9° |
| C5 | C7 | N8 | 103.8° | 112.1° |
| C5 | C7 | H7 | 130.9° | 129.0° |
| N8 | C7 | H7 | 125.3° | 118.9° |
| C1' | C2' | C3' | 101.8° | 101.6° |
| C1' | C2' | H2' | 115.2° | 110.5° |
| C1' | C2' | H2'' | 115.1° | 111.7° |
| C2' | C1' | O4' | 106.0° | 106.7° |
| C2' | C1' | H1' | 107.6° | 111.7° |
| C3' | C2' | H2' | 115.1° | 110.0° |
| C3' | C2' | H2'' | 115.1° | 114.2° |
| C2' | C3' | C4' | 102.7° | 103.2° |
| C2' | C3' | O3' | 110.4° | 108.4° |
| C2' | C3' | H3' | 112.9° | 113.7° |
| H2' | C2' | H2'' | 95.3° | 108.7° |
| C4' | C5' | H5' | 112.1° | 110.1° |
| C4' | C5' | H5'' | 112.0° | 110.1° |
| C5' | C4' | O4' | 109.6° | 108.0° |
| C5' | C4' | C3' | 114.8° | 112.7° |
| C5' | C4' | H4' | 104.5° | 109.4° |
| H5' | C5' | H5'' | 98.4° | 109.6° |
| O4' | C4' | C3' | 105.5° | 106.8° |
| O4' | C4' | H4' | 113.9° | 107.7° |
| C4' | O4' | C1' | 110.2° | 108.7° |
| C3' | C4' | H4' | 108.7° | 112.0° |
| C4' | C3' | O3' | 108.5° | 109.6° |
| C4' | C3' | H3' | 114.7° | 114.0° |
| O4' | C1' | H1' | 115.1° | 108.1° |
| O3' | C3' | H3' | 107.6° | 107.8° |
| C3' | O3' | HO3' | 110.4° | 106.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP1 | P | OP2 | O5' | 124.3° | 126.6° |
| OP1 | P | OP2 | OP3 | 90.3° | 126.3° |
| OP1 | P | O5' | OP3 | 93.4° | 125.8° |
| OP1 | P | OP2 | HOP2 | 180.0° | 48.8° |
| OP1 | P | O5' | C5' | 156.4° | 180.0° |
| OP1 | P | OP3 | HOP3 | 180.0° | 48.0° |
| OP2 | P | O5' | OP3 | 37.6° | 107.4° |
| OP2 | P | O5' | C5' | 72.6° | 53.2° |
| OP2 | P | OP3 | HOP3 | 63.1° | 78.5° |
| O5' | P | OP2 | HOP2 | 55.6° | 175.4° |
| P | O5' | C5' | C4' | 152.9° | 180.0° |
| P | O5' | C5' | H5' | 27.6° | 59.9° |
| P | O5' | C5' | H5'' | 81.9° | 59.9° |
| O5' | P | OP3 | HOP3 | 76.9° | 173.9° |
| OP3 | P | OP2 | HOP2 | 89.7° | 77.5° |
| OP3 | P | O5' | C5' | 110.2° | 54.2° |
| O5' | C5' | C4' | H5' | 125.3° | 119.6° |
| O5' | C5' | C4' | H5'' | 125.2° | 119.5° |
| O5' | C5' | H5' | H5'' | 118.0° | 119.6° |
| O5' | C5' | C4' | O4' | 60.1° | 61.8° |
| O5' | C5' | C4' | C3' | 178.6° | 179.5° |
| O5' | C5' | C4' | H4' | 62.4° | 55.2° |
| C4 | N9 | N8 | C1' | 179.1° | 180.0° |
| N9 | C4 | N3 | C5 | 179.3° | 180.0° |
| N9 | C4 | N3 | C2 | 179.4° | 180.0° |
| N9 | C4 | C5 | C6 | 179.6° | 180.0° |
| N9 | C4 | C5 | C7 | 0.2° | 0.0° |
| C4 | N9 | N8 | C7 | 0.5° | 0.0° |
| C4 | N9 | C1' | C2' | 149.6° | 93.4° |
| C4 | N9 | C1' | O4' | 92.9° | 146.5° |
| C4 | N9 | C1' | H1' | 30.7° | 30.0° |
| N8 | N9 | C4 | N3 | 179.9° | 180.0° |
| N8 | N9 | C4 | C5 | 0.4° | 0.0° |
| N9 | N8 | C7 | C5 | 0.4° | 0.0° |
| N9 | N8 | C7 | H7 | 179.6° | 180.0° |
| N8 | N9 | C1' | C2' | 31.5° | 86.5° |
| N8 | N9 | C1' | O4' | 86.0° | 33.5° |
| N8 | N9 | C1' | H1' | 150.3° | 150.0° |
| C1' | N9 | C4 | N3 | 0.8° | 0.0° |
| C1' | N9 | C4 | C5 | 178.7° | 180.0° |
| C1' | N9 | N8 | C7 | 178.5° | 180.0° |
| N9 | C1' | C2' | O4' | 118.2° | 121.8° |
| N9 | C1' | C2' | H1' | 118.2° | 120.3° |
| N9 | C1' | C2' | C3' | 151.3° | 154.5° |
| N9 | C1' | C2' | H2' | 26.1° | 37.8° |
| N9 | C1' | C2' | H2'' | 83.4° | 83.3° |
| N9 | C1' | O4' | C4' | 139.9° | 141.8° |
| N9 | C1' | O4' | H1' | 118.1° | 115.2° |
| C4 | N3 | C2 | N2 | 180.0° | 180.0° |
| C4 | N3 | C2 | N1 | 0.0° | 0.0° |
| N3 | C4 | C5 | C6 | 0.1° | 0.0° |
| N3 | C4 | C5 | C7 | 179.6° | 180.0° |
| C5 | C4 | N3 | C2 | 0.1° | 0.0° |
| C4 | C5 | C6 | N1 | 0.1° | 0.0° |
| C4 | C5 | C6 | O6 | 179.8° | 180.0° |
| C4 | C5 | C6 | C7 | 179.7° | 180.0° |
| C4 | C5 | C7 | N8 | 0.1° | 0.0° |
| C4 | C5 | C7 | H7 | 179.9° | 180.0° |
| N3 | C2 | N2 | N1 | 180.0° | 179.9° |
| N3 | C2 | N2 | HN21 | 54.7° | 127.3° |
| N3 | C2 | N2 | HN22 | 180.0° | 52.8° |
| N3 | C2 | N1 | C6 | 0.0° | 0.0° |
| N3 | C2 | N1 | HN1 | 180.0° | 179.9° |
| C2 | N2 | HN21 | HN22 | 131.5° | 180.0° |
| N2 | C2 | N1 | C6 | 180.0° | 180.0° |
| N2 | C2 | N1 | HN1 | 0.0° | 0.0° |
| N1 | C2 | N2 | HN21 | 125.3° | 52.7° |
| N1 | C2 | N2 | HN22 | 0.0° | 127.3° |
| C2 | N1 | C6 | HN1 | 180.0° | 180.0° |
| C2 | N1 | C6 | O6 | 179.9° | 180.0° |
| C2 | N1 | C6 | C5 | 0.0° | 0.0° |
| N1 | C6 | O6 | C5 | 179.9° | 179.9° |
| N1 | C6 | C5 | C7 | 179.6° | 180.0° |
| HN1 | N1 | C6 | O6 | 0.1° | 0.0° |
| HN1 | N1 | C6 | C5 | 180.0° | 179.9° |
| O6 | C6 | C5 | C7 | 0.5° | 0.0° |
| C6 | C5 | C7 | N8 | 179.8° | 180.0° |
| C6 | C5 | C7 | H7 | 0.2° | 0.0° |
| C5 | C7 | N8 | H7 | 180.0° | 180.0° |
| C1' | C2' | C3' | H2' | 125.3° | 117.0° |
| C1' | C2' | C3' | H2'' | 125.2° | 120.4° |
| C1' | C2' | H2' | H2'' | 121.0° | 122.9° |
| C2' | C1' | O4' | C4' | 16.8° | 17.3° |
| C1' | C2' | C3' | C4' | 36.2° | 34.8° |
| C2' | C1' | O4' | H1' | 118.8° | 120.3° |
| C1' | C2' | C3' | O3' | 79.3° | 81.3° |
| C1' | C2' | C3' | H3' | 160.2° | 158.8° |
| C3' | C2' | H2' | H2'' | 121.0° | 125.7° |
| C2' | C3' | C4' | C5' | 93.6° | 92.6° |
| C2' | C3' | C4' | O4' | 27.2° | 25.9° |
| C2' | C3' | C4' | O3' | 116.9° | 115.3° |
| C2' | C3' | C4' | H3' | 122.9° | 123.7° |
| C2' | C3' | C4' | H4' | 149.8° | 143.6° |
| C3' | C2' | C1' | O4' | 33.2° | 32.7° |
| C3' | C2' | C1' | H1' | 90.5° | 85.2° |
| C2' | C3' | O3' | H3' | 123.6° | 123.5° |
| C2' | C3' | O3' | HO3' | 180.0° | 65.3° |
| H2' | C2' | C3' | C4' | 89.1° | 82.2° |
| H2' | C2' | C1' | O4' | 92.1° | 84.0° |
| H2' | C2' | C1' | H1' | 144.3° | 158.1° |
| H2' | C2' | C3' | O3' | 155.4° | 161.6° |
| H2' | C2' | C3' | H3' | 34.9° | 41.7° |
| H2'' | C2' | C3' | C4' | 161.4° | 155.2° |
| H2'' | C2' | C1' | O4' | 158.4° | 154.9° |
| H2'' | C2' | C1' | H1' | 34.8° | 37.0° |
| H2'' | C2' | C3' | O3' | 45.9° | 39.1° |
| H2'' | C2' | C3' | H3' | 74.5° | 80.8° |
| C4' | C5' | H5' | H5'' | 117.9° | 121.2° |
| C5' | C4' | O4' | C3' | 124.1° | 121.5° |
| C5' | C4' | O4' | H4' | 116.7° | 118.0° |
| C5' | C4' | C3' | H4' | 116.6° | 123.8° |
| C5' | C4' | O4' | C1' | 117.4° | 116.0° |
| C5' | C4' | C3' | O3' | 149.5° | 152.1° |
| C5' | C4' | C3' | H3' | 29.3° | 31.2° |
| H5' | C5' | C4' | O4' | 174.6° | 57.8° |
| H5' | C5' | C4' | C3' | 56.1° | 60.0° |
| H5' | C5' | C4' | H4' | 62.9° | 174.7° |
| H5'' | C5' | C4' | O4' | 65.2° | 178.7° |
| H5'' | C5' | C4' | C3' | 53.4° | 60.9° |
| H5'' | C5' | C4' | H4' | 172.4° | 64.3° |
| O4' | C4' | C3' | H4' | 122.5° | 117.7° |
| C4' | O4' | C1' | H1' | 102.0° | 103.1° |
| O4' | C4' | C3' | O3' | 89.6° | 89.4° |
| O4' | C4' | C3' | H3' | 150.1° | 149.7° |
| C3' | C4' | O4' | C1' | 6.7° | 5.5° |
| C4' | C3' | O3' | H3' | 124.6° | 124.6° |
| C4' | C3' | O3' | HO3' | 68.2° | 46.6° |
| H4' | C4' | O4' | C1' | 125.9° | 126.0° |
| H4' | C4' | C3' | O3' | 32.9° | 28.3° |
| H4' | C4' | C3' | H3' | 87.4° | 92.6° |
| H3' | C3' | O3' | HO3' | 56.4° | 171.2° |
