3GP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | O1P | doub | 1.48Å | 1.49Å | |
| P | O2P | sing | 1.61Å | 1.51Å | |
| P | O3P | sing | 1.61Å | 1.50Å | |
| P | O3' | sing | 1.61Å | 1.67Å | |
| O2P | HOP2 | sing | 0.97Å | 0.95Å | |
| O3P | HOP3 | sing | 0.97Å | 0.95Å | |
| O5' | C5' | sing | 1.43Å | 1.45Å | |
| O5' | HO5' | sing | 0.97Å | 0.95Å | |
| C5' | C4' | sing | 1.53Å | 1.51Å | |
| C5' | H5'1 | sing | 1.09Å | 1.11Å | |
| C5' | H5'2 | sing | 1.09Å | 1.12Å | |
| C4' | O4' | sing | 1.44Å | 1.46Å | |
| C4' | C3' | sing | 1.54Å | 1.53Å | |
| C4' | H4' | sing | 1.09Å | 1.12Å | |
| O4' | C1' | sing | 1.44Å | 1.41Å | |
| C3' | O3' | sing | 1.43Å | 1.40Å | |
| C3' | C2' | sing | 1.55Å | 1.52Å | |
| C3' | H3' | sing | 1.09Å | 1.12Å | |
| C2' | O2' | sing | 1.43Å | 1.40Å | |
| C2' | C1' | sing | 1.54Å | 1.52Å | |
| C2' | H2' | sing | 1.09Å | 1.12Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C1' | N9 | sing | 1.47Å | 1.46Å | |
| C1' | H1' | sing | 1.09Å | 1.12Å | |
| N9 | C8 | sing | 1.36Å | 1.41Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.39Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.31Å | 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 | 1.22Å | |
| C6 | N1 | sing | 1.35Å | 1.43Å | |
| N1 | C2 | sing | 1.36Å | 1.34Å | |
| N1 | HN1 | sing | 0.97Å | 1.02Å | |
| C2 | N2 | sing | 1.37Å | 1.37Å | |
| C2 | N3 | doub | 1.31Å | 1.31Å | |
| N2 | HN21 | sing | 0.97Å | 1.02Å | |
| N2 | HN22 | sing | 0.97Å | 1.02Å | |
| N3 | C4 | sing | 1.34Å | 1.34Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1P | P | O2P | 112.6° | 109.5° |
| O1P | P | O3P | 111.1° | 109.5° |
| O1P | P | O3' | 108.3° | 109.4° |
| O2P | P | O3P | 113.5° | 109.5° |
| O2P | P | O3' | 103.4° | 109.5° |
| P | O2P | HOP2 | 112.6° | 106.8° |
| O3P | P | O3' | 107.4° | 109.4° |
| P | O3P | HOP3 | 111.1° | 106.8° |
| P | O3' | C3' | 152.7° | 106.9° |
| C5' | O5' | HO5' | 107.3° | 106.8° |
| O5' | C5' | C4' | 107.3° | 109.5° |
| O5' | C5' | H5'1 | 113.1° | 109.4° |
| O5' | C5' | H5'2 | 113.0° | 109.5° |
| C4' | C5' | H5'1 | 113.0° | 109.5° |
| C4' | C5' | H5'2 | 113.0° | 109.5° |
| C5' | C4' | O4' | 108.2° | 110.4° |
| C5' | C4' | C3' | 110.1° | 110.5° |
| C5' | C4' | H4' | 108.0° | 110.4° |
| H5'1 | C5' | H5'2 | 97.4° | 109.5° |
| O4' | C4' | C3' | 102.8° | 104.8° |
| O4' | C4' | H4' | 114.6° | 110.3° |
| C4' | O4' | C1' | 107.9° | 105.3° |
| C3' | C4' | H4' | 112.9° | 110.3° |
| C4' | C3' | O3' | 114.1° | 110.5° |
| C4' | C3' | C2' | 103.1° | 104.1° |
| C4' | C3' | H3' | 109.5° | 110.5° |
| O4' | C1' | C2' | 108.1° | 105.0° |
| O4' | C1' | N9 | 108.5° | 110.4° |
| O4' | C1' | H1' | 108.9° | 110.4° |
| O3' | C3' | C2' | 105.4° | 110.6° |
| O3' | C3' | H3' | 107.4° | 110.4° |
| C2' | C3' | H3' | 117.6° | 110.6° |
| C3' | C2' | O2' | 104.0° | 110.5° |
| C3' | C2' | C1' | 104.4° | 104.0° |
| C3' | C2' | H2' | 118.9° | 110.5° |
| O2' | C2' | C1' | 116.9° | 110.9° |
| O2' | C2' | H2' | 106.9° | 110.4° |
| C2' | O2' | HO2' | 103.9° | 106.8° |
| C1' | C2' | H2' | 106.4° | 110.5° |
| C2' | C1' | N9 | 101.9° | 110.4° |
| C2' | C1' | H1' | 114.8° | 110.3° |
| N9 | C1' | H1' | 114.3° | 110.3° |
| C1' | N9 | C8 | 122.8° | 126.2° |
| C1' | N9 | C4 | 130.0° | 126.3° |
| C8 | N9 | C4 | 106.5° | 107.5° |
| N9 | C8 | N7 | 113.0° | 109.8° |
| N9 | C8 | H8 | 126.6° | 125.1° |
| N9 | C4 | C5 | 103.9° | 106.2° |
| N9 | C4 | N3 | 126.7° | 134.2° |
| N7 | C8 | H8 | 120.4° | 125.1° |
| C8 | N7 | C5 | 103.2° | 109.4° |
| N7 | C5 | C6 | 128.8° | 134.2° |
| N7 | C5 | C4 | 113.2° | 107.2° |
| C6 | C5 | C4 | 117.9° | 118.6° |
| C5 | C6 | O6 | 127.9° | 120.8° |
| C5 | C6 | N1 | 110.7° | 118.4° |
| C5 | C4 | N3 | 129.3° | 119.7° |
| O6 | C6 | N1 | 121.3° | 120.9° |
| C6 | N1 | C2 | 125.8° | 120.3° |
| C6 | N1 | HN1 | 120.4° | 119.9° |
| C2 | N1 | HN1 | 113.8° | 119.8° |
| N1 | C2 | N2 | 117.5° | 119.1° |
| N1 | C2 | N3 | 123.4° | 121.9° |
| N2 | C2 | N3 | 119.0° | 119.0° |
| C2 | N2 | HN21 | 117.4° | 120.0° |
| C2 | N2 | HN22 | 109.3° | 120.0° |
| C2 | N3 | C4 | 112.9° | 121.1° |
| HN21 | N2 | HN22 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1P | P | O2P | O3P | 127.3° | 120.0° |
| O1P | P | O2P | O3' | 116.7° | 120.0° |
| O1P | P | O3P | O3' | 118.3° | 119.9° |
| O1P | P | O2P | HOP2 | 180.0° | 59.9° |
| O1P | P | O3P | HOP3 | 180.0° | 180.0° |
| O1P | P | O3' | C3' | 19.1° | 60.0° |
| O2P | P | O3P | O3' | 113.6° | 120.0° |
| O2P | P | O3P | HOP3 | 51.9° | 60.0° |
| O2P | P | O3' | C3' | 138.7° | 180.0° |
| O3P | P | O2P | HOP2 | 52.7° | 60.1° |
| O3P | P | O3' | C3' | 101.0° | 60.0° |
| O3' | P | O2P | HOP2 | 63.3° | 179.9° |
| O3' | P | O3P | HOP3 | 61.7° | 60.0° |
| P | O3' | C3' | C4' | 176.4° | 121.4° |
| P | O3' | C3' | C2' | 71.2° | 123.9° |
| P | O3' | C3' | H3' | 54.9° | 1.2° |
| O5' | C5' | C4' | H5'1 | 125.3° | 120.0° |
| O5' | C5' | C4' | H5'2 | 125.2° | 120.0° |
| O5' | C5' | H5'1 | H5'2 | 119.0° | 120.0° |
| O5' | C5' | C4' | O4' | 120.8° | 61.4° |
| O5' | C5' | C4' | C3' | 9.1° | 176.9° |
| O5' | C5' | C4' | H4' | 114.6° | 60.8° |
| HO5' | O5' | C5' | C4' | 180.0° | 180.0° |
| HO5' | O5' | C5' | H5'1 | 54.7° | 60.0° |
| HO5' | O5' | C5' | H5'2 | 54.8° | 60.0° |
| C4' | C5' | H5'1 | H5'2 | 118.9° | 120.0° |
| C5' | C4' | O4' | C3' | 116.5° | 119.0° |
| C5' | C4' | O4' | H4' | 120.5° | 122.3° |
| C5' | C4' | C3' | H4' | 120.8° | 122.3° |
| C5' | C4' | O4' | C1' | 152.2° | 159.5° |
| C5' | C4' | C3' | O3' | 95.4° | 98.3° |
| C5' | C4' | C3' | C2' | 150.8° | 142.9° |
| C5' | C4' | C3' | H3' | 24.9° | 24.2° |
| H5'1 | C5' | C4' | O4' | 113.9° | 178.6° |
| H5'1 | C5' | C4' | C3' | 134.4° | 63.1° |
| H5'1 | C5' | C4' | H4' | 10.7° | 59.2° |
| H5'2 | C5' | C4' | O4' | 4.5° | 58.6° |
| H5'2 | C5' | C4' | C3' | 116.2° | 56.9° |
| H5'2 | C5' | C4' | H4' | 120.2° | 179.2° |
| O4' | C4' | C3' | H4' | 124.1° | 118.7° |
| O4' | C4' | C3' | O3' | 149.4° | 142.8° |
| O4' | C4' | C3' | C2' | 35.7° | 24.0° |
| O4' | C4' | C3' | H3' | 90.3° | 94.7° |
| C4' | O4' | C1' | C2' | 21.1° | 40.4° |
| C4' | O4' | C1' | N9 | 130.8° | 159.3° |
| C4' | O4' | C1' | H1' | 104.2° | 78.5° |
| C3' | C4' | O4' | C1' | 35.6° | 40.4° |
| C4' | C3' | O3' | C2' | 112.4° | 114.7° |
| C4' | C3' | O3' | H3' | 121.5° | 122.6° |
| C4' | C3' | C2' | H3' | 120.5° | 118.7° |
| C4' | C3' | C2' | O2' | 99.7° | 118.9° |
| C4' | C3' | C2' | C1' | 23.3° | 0.1° |
| C4' | C3' | C2' | H2' | 141.6° | 118.6° |
| H4' | C4' | O4' | C1' | 87.3° | 78.3° |
| H4' | C4' | C3' | O3' | 25.3° | 24.0° |
| H4' | C4' | C3' | C2' | 88.4° | 94.7° |
| H4' | C4' | C3' | H3' | 145.6° | 146.6° |
| O4' | C1' | C2' | C3' | 2.4° | 23.9° |
| O4' | C1' | C2' | O2' | 111.8° | 142.6° |
| O4' | C1' | C2' | N9 | 114.2° | 118.9° |
| O4' | C1' | C2' | H1' | 121.7° | 118.9° |
| O4' | C1' | C2' | H2' | 128.9° | 94.7° |
| O4' | C1' | N9 | H1' | 121.7° | 122.3° |
| O4' | C1' | N9 | C8 | 137.0° | 27.0° |
| O4' | C1' | N9 | C4 | 54.2° | 153.0° |
| O3' | C3' | C2' | H3' | 119.5° | 122.6° |
| O3' | C3' | C2' | O2' | 20.2° | 0.2° |
| O3' | C3' | C2' | C1' | 143.2° | 118.8° |
| O3' | C3' | C2' | H2' | 98.5° | 122.7° |
| C3' | C2' | O2' | C1' | 114.4° | 114.7° |
| C3' | C2' | O2' | H2' | 126.6° | 122.5° |
| C3' | C2' | C1' | H2' | 126.5° | 118.5° |
| C3' | C2' | O2' | HO2' | 180.0° | 179.9° |
| C3' | C2' | C1' | N9 | 111.8° | 142.8° |
| C3' | C2' | C1' | H1' | 124.0° | 95.1° |
| H3' | C3' | C2' | O2' | 139.8° | 122.5° |
| H3' | C3' | C2' | C1' | 97.2° | 118.6° |
| H3' | C3' | C2' | H2' | 21.1° | 0.0° |
| O2' | C2' | C1' | H2' | 119.3° | 122.7° |
| O2' | C2' | C1' | N9 | 134.0° | 98.5° |
| O2' | C2' | C1' | H1' | 9.9° | 23.7° |
| C1' | C2' | O2' | HO2' | 65.6° | 65.3° |
| C2' | C1' | N9 | H1' | 124.4° | 122.2° |
| C2' | C1' | N9 | C8 | 109.1° | 88.5° |
| C2' | C1' | N9 | C4 | 59.7° | 91.5° |
| H2' | C2' | O2' | HO2' | 53.4° | 57.4° |
| H2' | C2' | C1' | N9 | 14.7° | 24.2° |
| H2' | C2' | C1' | H1' | 109.4° | 146.4° |
| C1' | N9 | C8 | C4 | 171.1° | 180.0° |
| C1' | N9 | C8 | N7 | 173.2° | 180.0° |
| C1' | N9 | C8 | H8 | 6.8° | 0.0° |
| C1' | N9 | C4 | C5 | 172.4° | 180.0° |
| C1' | N9 | C4 | N3 | 10.8° | 0.1° |
| H1' | C1' | N9 | C8 | 15.3° | 149.3° |
| H1' | C1' | N9 | C4 | 175.9° | 30.7° |
| N9 | C8 | N7 | H8 | 180.0° | 180.0° |
| N9 | C8 | N7 | C5 | 1.0° | 0.0° |
| C8 | N9 | C4 | C5 | 2.2° | 0.0° |
| C8 | N9 | C4 | N3 | 179.0° | 179.9° |
| C4 | N9 | C8 | N7 | 2.1° | 0.0° |
| C4 | N9 | C8 | H8 | 177.9° | 179.9° |
| N9 | C4 | C5 | N7 | 1.8° | 0.0° |
| N9 | C4 | C5 | C6 | 175.7° | 180.0° |
| N9 | C4 | C5 | N3 | 176.6° | 179.9° |
| N9 | C4 | N3 | C2 | 177.7° | 179.9° |
| C8 | N7 | C5 | C6 | 176.6° | 180.0° |
| C8 | N7 | C5 | C4 | 0.6° | 0.0° |
| H8 | C8 | N7 | C5 | 179.1° | 180.0° |
| N7 | C5 | C6 | C4 | 177.0° | 180.0° |
| N7 | C5 | C6 | O6 | 4.7° | 0.0° |
| N7 | C5 | C6 | N1 | 179.8° | 179.7° |
| N7 | C5 | C4 | N3 | 178.4° | 179.9° |
| C5 | C6 | O6 | N1 | 175.2° | 179.7° |
| C5 | C6 | N1 | C2 | 2.2° | 0.6° |
| C5 | C6 | N1 | HN1 | 177.8° | 180.0° |
| C6 | C5 | C4 | N3 | 1.0° | 0.1° |
| C4 | C5 | C6 | O6 | 178.3° | 180.0° |
| C4 | C5 | C6 | N1 | 2.7° | 0.2° |
| C5 | C4 | N3 | C2 | 1.8° | 0.1° |
| O6 | C6 | N1 | C2 | 178.2° | 179.7° |
| O6 | C6 | N1 | HN1 | 1.8° | 0.3° |
| C6 | N1 | C2 | HN1 | 180.0° | 179.4° |
| C6 | N1 | C2 | N2 | 176.8° | 179.7° |
| C6 | N1 | C2 | N3 | 0.5° | 0.6° |
| N1 | C2 | N2 | N3 | 176.5° | 179.6° |
| N1 | C2 | N2 | HN21 | 180.0° | 179.7° |
| N1 | C2 | N2 | HN22 | 54.7° | 0.6° |
| N1 | C2 | N3 | C4 | 2.5° | 0.3° |
| HN1 | N1 | C2 | N2 | 3.2° | 0.3° |
| HN1 | N1 | C2 | N3 | 179.5° | 180.0° |
| C2 | N2 | HN21 | HN22 | 125.3° | 179.7° |
| N2 | C2 | N3 | C4 | 178.8° | 179.9° |
| N3 | C2 | N2 | HN21 | 3.6° | 0.1° |
| N3 | C2 | N2 | HN22 | 121.8° | 179.7° |
