PGP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P1 | O4P | doub | 1.48Å | 1.49Å | |
| P1 | O5P | sing | 1.61Å | 1.50Å | |
| P1 | O6P | sing | 1.61Å | 1.59Å | |
| P1 | O3' | sing | 1.61Å | 1.61Å | |
| O5P | HOP5 | sing | 0.97Å | 0.95Å | |
| O6P | HOP6 | sing | 0.97Å | 0.95Å | |
| P | OP1 | doub | 1.48Å | 1.49Å | |
| P | OP2 | sing | 1.61Å | 1.49Å | |
| P | OP3 | sing | 1.61Å | 1.61Å | |
| P | O5' | sing | 1.61Å | 1.59Å | |
| OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
| OP3 | HOP3 | sing | 0.97Å | 0.95Å | |
| O5' | C5' | sing | 1.43Å | 1.43Å | |
| C5' | C4' | sing | 1.53Å | 1.51Å | |
| C5' | H5' | sing | 1.09Å | 1.11Å | |
| C5' | H5'' | sing | 1.09Å | 1.12Å | |
| C4' | O4' | sing | 1.44Å | 1.45Å | |
| C4' | C3' | sing | 1.54Å | 1.52Å | |
| C4' | H4' | sing | 1.09Å | 1.12Å | |
| O4' | C1' | sing | 1.44Å | 1.42Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | C2' | sing | 1.55Å | 1.53Å | |
| C3' | H3' | sing | 1.09Å | 1.12Å | |
| C2' | O2' | sing | 1.43Å | 1.42Å | |
| C2' | C1' | sing | 1.54Å | 1.53Å | |
| C2' | H2' | sing | 1.09Å | 1.11Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C1' | N9 | sing | 1.46Å | 1.46Å | |
| C1' | H1' | sing | 1.09Å | 1.11Å | |
| N9 | C8 | sing | 1.36Å | 1.37Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.38Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.30Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| N7 | C5 | sing | 1.36Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.42Å | |
| C5 | C4 | doub | 1.40Å | 1.38Å | Aromatic |
| C6 | O6 | doub | 1.22Å | 1.23Å | |
| C6 | N1 | sing | 1.35Å | 1.39Å | |
| N1 | C2 | sing | 1.36Å | 1.37Å | |
| N1 | HN1 | sing | 0.97Å | 1.02Å | |
| C2 | N2 | sing | 1.37Å | 1.35Å | |
| C2 | N3 | doub | 1.31Å | 1.33Å | |
| N2 | HN21 | sing | 0.97Å | 1.02Å | |
| N2 | HN22 | sing | 0.97Å | 1.02Å | |
| N3 | C4 | sing | 1.34Å | 1.35Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4P | P1 | O5P | 119.8° | 109.5° |
| O4P | P1 | O6P | 108.0° | 109.5° |
| O4P | P1 | O3' | 106.9° | 109.5° |
| O5P | P1 | O6P | 107.1° | 109.5° |
| O5P | P1 | O3' | 110.2° | 109.5° |
| P1 | O5P | HOP5 | 119.8° | 106.8° |
| O6P | P1 | O3' | 103.6° | 109.5° |
| P1 | O6P | HOP6 | 108.0° | 106.8° |
| P1 | O3' | C3' | 120.0° | 106.8° |
| OP1 | P | OP2 | 119.9° | 109.5° |
| OP1 | P | OP3 | 110.6° | 109.4° |
| OP1 | P | O5' | 107.6° | 109.5° |
| OP2 | P | OP3 | 104.5° | 109.5° |
| OP2 | P | O5' | 108.8° | 109.5° |
| P | OP2 | HOP2 | 119.8° | 106.8° |
| OP3 | P | O5' | 104.4° | 109.4° |
| P | OP3 | HOP3 | 110.6° | 106.8° |
| P | O5' | C5' | 120.8° | 106.8° |
| O5' | C5' | C4' | 110.3° | 109.5° |
| O5' | C5' | H5' | 111.9° | 109.4° |
| O5' | C5' | H5'' | 111.9° | 109.4° |
| C4' | C5' | H5' | 111.9° | 109.5° |
| C4' | C5' | H5'' | 111.9° | 109.5° |
| C5' | C4' | O4' | 110.6° | 110.4° |
| C5' | C4' | C3' | 114.9° | 110.5° |
| C5' | C4' | H4' | 103.5° | 110.3° |
| H5' | C5' | H5'' | 98.6° | 109.5° |
| O4' | C4' | C3' | 105.0° | 104.8° |
| O4' | C4' | H4' | 113.7° | 110.4° |
| C4' | O4' | C1' | 109.7° | 105.3° |
| C3' | C4' | H4' | 109.4° | 110.4° |
| C4' | C3' | O3' | 109.3° | 110.5° |
| C4' | C3' | C2' | 102.2° | 104.1° |
| C4' | C3' | H3' | 115.6° | 110.5° |
| O4' | C1' | C2' | 107.7° | 104.9° |
| O4' | C1' | N9 | 107.7° | 110.4° |
| O4' | C1' | H1' | 114.2° | 110.4° |
| O3' | C3' | C2' | 113.3° | 110.5° |
| O3' | C3' | H3' | 105.0° | 110.4° |
| C2' | C3' | H3' | 111.7° | 110.6° |
| C3' | C2' | O2' | 113.3° | 110.6° |
| C3' | C2' | C1' | 101.7° | 104.0° |
| C3' | C2' | H2' | 112.0° | 110.5° |
| O2' | C2' | C1' | 109.2° | 110.8° |
| O2' | C2' | H2' | 105.0° | 110.4° |
| C2' | O2' | HO2' | 113.3° | 106.8° |
| C1' | C2' | H2' | 115.9° | 110.4° |
| C2' | C1' | N9 | 115.7° | 110.4° |
| C2' | C1' | H1' | 105.9° | 110.4° |
| N9 | C1' | H1' | 105.9° | 110.3° |
| C1' | N9 | C8 | 126.8° | 126.3° |
| C1' | N9 | C4 | 126.9° | 126.3° |
| C8 | N9 | C4 | 106.3° | 107.4° |
| N9 | C8 | N7 | 113.1° | 109.9° |
| N9 | C8 | H8 | 125.7° | 125.1° |
| N9 | C4 | C5 | 105.3° | 106.1° |
| N9 | C4 | N3 | 126.2° | 134.2° |
| N7 | C8 | H8 | 121.2° | 125.1° |
| C8 | N7 | C5 | 104.4° | 109.3° |
| N7 | C5 | C6 | 130.2° | 134.1° |
| N7 | C5 | C4 | 110.9° | 107.2° |
| C6 | C5 | C4 | 118.9° | 118.6° |
| C5 | C6 | O6 | 128.4° | 120.9° |
| C5 | C6 | N1 | 111.9° | 118.4° |
| C5 | C4 | N3 | 128.5° | 119.6° |
| O6 | C6 | N1 | 119.8° | 120.8° |
| C6 | N1 | C2 | 124.9° | 120.3° |
| C6 | N1 | HN1 | 118.3° | 119.9° |
| C2 | N1 | HN1 | 116.7° | 119.8° |
| N1 | C2 | N2 | 116.1° | 119.0° |
| N1 | C2 | N3 | 123.8° | 121.9° |
| N2 | C2 | N3 | 120.1° | 119.0° |
| C2 | N2 | HN21 | 116.0° | 120.0° |
| C2 | N2 | HN22 | 109.8° | 120.0° |
| C2 | N3 | C4 | 112.0° | 121.2° |
| HN21 | N2 | HN22 | 109.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4P | P1 | O5P | O6P | 123.3° | 120.0° |
| O4P | P1 | O5P | O3' | 124.7° | 120.0° |
| O4P | P1 | O6P | O3' | 113.1° | 120.0° |
| O4P | P1 | O5P | HOP5 | 180.0° | 60.0° |
| O4P | P1 | O6P | HOP6 | 180.0° | 180.0° |
| O4P | P1 | O3' | C3' | 159.6° | 60.0° |
| O5P | P1 | O6P | O3' | 116.5° | 120.0° |
| O5P | P1 | O6P | HOP6 | 49.7° | 60.0° |
| O5P | P1 | O3' | C3' | 27.8° | 180.0° |
| O6P | P1 | O5P | HOP5 | 56.7° | 60.0° |
| O6P | P1 | O3' | C3' | 86.5° | 60.0° |
| O3' | P1 | O5P | HOP5 | 55.3° | 180.0° |
| O3' | P1 | O6P | HOP6 | 66.8° | 60.0° |
| P1 | O3' | C3' | C4' | 144.9° | 120.0° |
| P1 | O3' | C3' | C2' | 101.8° | 125.3° |
| P1 | O3' | C3' | H3' | 20.4° | 2.6° |
| OP1 | P | OP2 | OP3 | 124.6° | 120.0° |
| OP1 | P | OP2 | O5' | 124.3° | 120.0° |
| OP1 | P | OP3 | O5' | 115.4° | 120.0° |
| OP1 | P | OP2 | HOP2 | 180.0° | 60.0° |
| OP1 | P | OP3 | HOP3 | 180.0° | 180.0° |
| OP1 | P | O5' | C5' | 165.7° | 60.0° |
| OP2 | P | OP3 | O5' | 114.3° | 120.0° |
| OP2 | P | OP3 | HOP3 | 49.7° | 60.0° |
| OP2 | P | O5' | C5' | 34.4° | 180.0° |
| OP3 | P | OP2 | HOP2 | 55.4° | 60.0° |
| OP3 | P | O5' | C5' | 76.8° | 60.0° |
| O5' | P | OP2 | HOP2 | 55.7° | 180.0° |
| O5' | P | OP3 | HOP3 | 64.6° | 60.0° |
| P | O5' | C5' | C4' | 158.9° | 180.0° |
| P | O5' | C5' | H5' | 33.6° | 60.0° |
| P | O5' | C5' | H5'' | 75.9° | 60.0° |
| O5' | C5' | C4' | H5' | 125.3° | 120.0° |
| O5' | C5' | C4' | H5'' | 125.2° | 120.0° |
| O5' | C5' | H5' | H5'' | 117.8° | 119.9° |
| O5' | C5' | C4' | O4' | 71.6° | 61.5° |
| O5' | C5' | C4' | C3' | 47.0° | 176.9° |
| O5' | C5' | C4' | H4' | 166.2° | 60.7° |
| C4' | C5' | H5' | H5'' | 117.8° | 120.1° |
| C5' | C4' | O4' | C3' | 124.5° | 118.9° |
| C5' | C4' | O4' | H4' | 116.0° | 122.2° |
| C5' | C4' | C3' | H4' | 115.9° | 122.3° |
| C5' | C4' | O4' | C1' | 145.2° | 159.5° |
| C5' | C4' | C3' | O3' | 83.0° | 98.4° |
| C5' | C4' | C3' | C2' | 156.6° | 143.0° |
| C5' | C4' | C3' | H3' | 35.1° | 24.2° |
| H5' | C5' | C4' | O4' | 163.1° | 178.5° |
| H5' | C5' | C4' | C3' | 78.2° | 63.1° |
| H5' | C5' | C4' | H4' | 41.0° | 59.3° |
| H5'' | C5' | C4' | O4' | 53.6° | 58.5° |
| H5'' | C5' | C4' | C3' | 172.3° | 56.9° |
| H5'' | C5' | C4' | H4' | 68.6° | 179.3° |
| O4' | C4' | C3' | H4' | 122.4° | 118.8° |
| O4' | C4' | C3' | O3' | 155.2° | 142.8° |
| O4' | C4' | C3' | C2' | 34.9° | 24.1° |
| O4' | C4' | C3' | H3' | 86.7° | 94.7° |
| C4' | O4' | C1' | C2' | 2.4° | 40.5° |
| C4' | O4' | C1' | N9 | 123.1° | 159.4° |
| C4' | O4' | C1' | H1' | 119.6° | 78.4° |
| C3' | C4' | O4' | C1' | 20.7° | 40.6° |
| C4' | C3' | O3' | C2' | 113.3° | 114.7° |
| C4' | C3' | O3' | H3' | 124.6° | 122.6° |
| C4' | C3' | C2' | H3' | 124.1° | 118.7° |
| C4' | C3' | C2' | O2' | 82.0° | 118.8° |
| C4' | C3' | C2' | C1' | 35.1° | 0.2° |
| C4' | C3' | C2' | H2' | 159.5° | 118.6° |
| H4' | C4' | O4' | C1' | 98.8° | 78.3° |
| H4' | C4' | C3' | O3' | 32.8° | 23.9° |
| H4' | C4' | C3' | C2' | 87.5° | 94.7° |
| H4' | C4' | C3' | H3' | 151.0° | 146.5° |
| O4' | C1' | C2' | C3' | 23.9° | 23.9° |
| O4' | C1' | C2' | O2' | 96.0° | 142.6° |
| O4' | C1' | C2' | N9 | 120.5° | 118.9° |
| O4' | C1' | C2' | H1' | 122.5° | 118.9° |
| O4' | C1' | C2' | H2' | 145.7° | 94.7° |
| O4' | C1' | N9 | H1' | 122.5° | 122.3° |
| O4' | C1' | N9 | C8 | 30.2° | 27.0° |
| O4' | C1' | N9 | C4 | 148.1° | 153.1° |
| O3' | C3' | C2' | H3' | 118.4° | 122.6° |
| O3' | C3' | C2' | O2' | 35.5° | 0.1° |
| O3' | C3' | C2' | C1' | 152.6° | 118.8° |
| O3' | C3' | C2' | H2' | 83.0° | 122.7° |
| C3' | C2' | O2' | C1' | 112.6° | 114.7° |
| C3' | C2' | O2' | H2' | 122.5° | 122.6° |
| C3' | C2' | C1' | H2' | 121.8° | 118.5° |
| C3' | C2' | O2' | HO2' | 180.0° | 179.9° |
| C3' | C2' | C1' | N9 | 96.6° | 142.7° |
| C3' | C2' | C1' | H1' | 146.4° | 95.1° |
| H3' | C3' | C2' | O2' | 153.9° | 122.5° |
| H3' | C3' | C2' | C1' | 89.1° | 118.6° |
| H3' | C3' | C2' | H2' | 35.3° | 0.1° |
| O2' | C2' | C1' | H2' | 118.2° | 122.7° |
| O2' | C2' | C1' | N9 | 143.5° | 98.5° |
| O2' | C2' | C1' | H1' | 26.5° | 23.7° |
| C1' | C2' | O2' | HO2' | 67.4° | 65.3° |
| C2' | C1' | N9 | H1' | 116.9° | 122.2° |
| C2' | C1' | N9 | C8 | 90.4° | 88.5° |
| C2' | C1' | N9 | C4 | 91.3° | 91.5° |
| H2' | C2' | O2' | HO2' | 57.5° | 57.4° |
| H2' | C2' | C1' | N9 | 25.2° | 24.2° |
| H2' | C2' | C1' | H1' | 91.8° | 146.4° |
| C1' | N9 | C8 | C4 | 178.6° | 179.9° |
| C1' | N9 | C8 | N7 | 177.6° | 180.0° |
| C1' | N9 | C8 | H8 | 2.3° | 0.0° |
| C1' | N9 | C4 | C5 | 177.6° | 180.0° |
| C1' | N9 | C4 | N3 | 1.1° | 0.1° |
| H1' | C1' | N9 | C8 | 152.7° | 149.3° |
| H1' | C1' | N9 | C4 | 25.6° | 30.8° |
| N9 | C8 | N7 | H8 | 179.9° | 180.0° |
| N9 | C8 | N7 | C5 | 0.5° | 0.0° |
| C8 | N9 | C4 | C5 | 1.0° | 0.0° |
| C8 | N9 | C4 | N3 | 179.7° | 179.9° |
| C4 | N9 | C8 | N7 | 1.0° | 0.0° |
| C4 | N9 | C8 | H8 | 179.1° | 179.9° |
| N9 | C4 | C5 | N7 | 0.7° | 0.0° |
| N9 | C4 | C5 | C6 | 178.6° | 179.9° |
| N9 | C4 | C5 | N3 | 178.7° | 179.9° |
| N9 | C4 | N3 | C2 | 177.8° | 179.9° |
| C8 | N7 | C5 | C6 | 179.1° | 179.9° |
| C8 | N7 | C5 | C4 | 0.2° | 0.0° |
| H8 | C8 | N7 | C5 | 179.6° | 180.0° |
| N7 | C5 | C6 | C4 | 179.2° | 180.0° |
| N7 | C5 | C6 | O6 | 1.2° | 0.1° |
| N7 | C5 | C6 | N1 | 178.8° | 179.7° |
| N7 | C5 | C4 | N3 | 179.4° | 180.0° |
| C5 | C6 | O6 | N1 | 180.0° | 179.7° |
| C5 | C6 | N1 | C2 | 0.3° | 0.6° |
| C5 | C6 | N1 | HN1 | 179.7° | 180.0° |
| C6 | C5 | C4 | N3 | 0.1° | 0.0° |
| C4 | C5 | C6 | O6 | 179.6° | 180.0° |
| C4 | C5 | C6 | N1 | 0.4° | 0.3° |
| C5 | C4 | N3 | C2 | 0.7° | 0.0° |
| O6 | C6 | N1 | C2 | 179.7° | 179.7° |
| O6 | C6 | N1 | HN1 | 0.3° | 0.3° |
| C6 | N1 | C2 | HN1 | 179.9° | 179.4° |
| C6 | N1 | C2 | N2 | 179.4° | 179.7° |
| C6 | N1 | C2 | N3 | 0.4° | 0.7° |
| N1 | C2 | N2 | N3 | 179.7° | 179.6° |
| N1 | C2 | N2 | HN21 | 179.9° | 179.6° |
| N1 | C2 | N2 | HN22 | 54.7° | 0.6° |
| N1 | C2 | N3 | C4 | 0.8° | 0.3° |
| HN1 | N1 | C2 | N2 | 0.6° | 0.3° |
| HN1 | N1 | C2 | N3 | 179.7° | 179.9° |
| C2 | N2 | HN21 | HN22 | 125.3° | 179.8° |
| N2 | C2 | N3 | C4 | 178.9° | 180.0° |
| N3 | C2 | N2 | HN21 | 0.2° | 0.0° |
| N3 | C2 | N2 | HN22 | 125.6° | 179.8° |
