G46
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | O1P | sing | 1.61Å | 1.49Å | |
| P | S2P | sing | 2.12Å | 1.89Å | |
| P | O3P | doub | 1.48Å | 1.63Å | |
| P | O5' | sing | 1.61Å | 1.59Å | |
| O1P | H1P | sing | 0.97Å | 0.95Å | |
| S2P | HS | sing | 1.35Å | 1.30Å | |
| O5' | C5' | sing | 1.43Å | 1.45Å | |
| C5' | C4' | sing | 1.53Å | 1.52Å | |
| C5' | H5'1 | sing | 1.09Å | 1.10Å | |
| C5' | H5'2 | sing | 1.09Å | 1.10Å | |
| C4' | O4' | sing | 1.44Å | 1.46Å | |
| C4' | C3' | sing | 1.54Å | 1.52Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| O4' | C1' | sing | 1.44Å | 1.42Å | |
| C3' | O3' | sing | 1.43Å | 1.42Å | |
| C3' | C2' | sing | 1.55Å | 1.53Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HA | sing | 0.97Å | 0.95Å | |
| C2' | C1' | sing | 1.55Å | 1.54Å | |
| C2' | O2' | sing | 1.43Å | 1.43Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C1' | N9 | sing | 1.46Å | 1.47Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| O2' | HB | sing | 0.97Å | 0.95Å | |
| N9 | C8 | sing | 1.36Å | 1.37Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.39Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.31Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N7 | C5 | sing | 1.35Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.44Å | |
| C5 | C4 | doub | 1.40Å | 1.38Å | Aromatic |
| C6 | O6 | doub | 1.22Å | 1.24Å | |
| C6 | N1 | sing | 1.35Å | 1.38Å | |
| N1 | C2 | sing | 1.36Å | 1.38Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C2 | N2 | sing | 1.37Å | 1.35Å | |
| C2 | N3 | doub | 1.31Å | 1.32Å | |
| N2 | H2N1 | sing | 0.97Å | 1.00Å | |
| N2 | H2N2 | sing | 0.97Å | 1.00Å | |
| N3 | C4 | sing | 1.34Å | 1.35Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1P | P | S2P | 5.3° | 109.5° |
| O1P | P | O3P | 109.2° | 109.4° |
| O1P | P | O5' | 107.8° | 109.5° |
| P | O1P | H1P | 109.5° | 114.0° |
| S2P | P | O3P | 105.9° | 109.5° |
| S2P | P | O5' | 112.9° | 109.5° |
| P | S2P | HS | 102.0° | 103.0° |
| O3P | P | O5' | 104.0° | 109.4° |
| P | O5' | C5' | 121.7° | 123.0° |
| O5' | C5' | C4' | 110.4° | 109.5° |
| O5' | C5' | H5'1 | 109.3° | 109.5° |
| O5' | C5' | H5'2 | 109.3° | 109.4° |
| C4' | C5' | H5'1 | 109.3° | 109.5° |
| C4' | C5' | H5'2 | 109.2° | 109.4° |
| C5' | C4' | O4' | 111.1° | 109.8° |
| C5' | C4' | C3' | 115.7° | 109.9° |
| C5' | C4' | H4' | 108.9° | 109.9° |
| H5'1 | C5' | H5'2 | 109.4° | 109.5° |
| O4' | C4' | C3' | 102.6° | 107.3° |
| O4' | C4' | H4' | 109.6° | 109.8° |
| C4' | O4' | C1' | 110.0° | 107.0° |
| C3' | C4' | H4' | 108.8° | 110.0° |
| C4' | C3' | O3' | 110.4° | 110.5° |
| C4' | C3' | C2' | 100.3° | 104.2° |
| C4' | C3' | H3' | 110.3° | 110.5° |
| O4' | C1' | C2' | 105.7° | 103.5° |
| O4' | C1' | N9 | 108.4° | 110.6° |
| O4' | C1' | H1' | 110.6° | 110.6° |
| O3' | C3' | C2' | 113.6° | 110.5° |
| O3' | C3' | H3' | 111.6° | 110.5° |
| C3' | O3' | HA | 109.5° | 114.0° |
| C2' | C3' | H3' | 110.1° | 110.6° |
| C3' | C2' | C1' | 100.9° | 102.1° |
| C3' | C2' | O2' | 112.4° | 110.9° |
| C3' | C2' | H2' | 111.0° | 110.9° |
| C1' | C2' | O2' | 108.6° | 110.9° |
| C1' | C2' | H2' | 110.9° | 110.9° |
| C2' | C1' | N9 | 113.2° | 110.6° |
| C2' | C1' | H1' | 108.9° | 110.6° |
| O2' | C2' | H2' | 112.5° | 110.8° |
| C2' | O2' | HB | 109.5° | 114.0° |
| N9 | C1' | H1' | 109.9° | 110.7° |
| C1' | N9 | C8 | 127.1° | 126.3° |
| C1' | N9 | C4 | 126.7° | 126.2° |
| C8 | N9 | C4 | 106.2° | 107.5° |
| N9 | C8 | N7 | 113.3° | 109.8° |
| N9 | C8 | H8 | 123.4° | 125.0° |
| N9 | C4 | C5 | 105.4° | 106.1° |
| N9 | C4 | N3 | 125.8° | 134.2° |
| N7 | C8 | H8 | 123.3° | 125.1° |
| C8 | N7 | C5 | 104.4° | 109.3° |
| N7 | C5 | C6 | 130.7° | 134.1° |
| N7 | C5 | C4 | 110.7° | 107.3° |
| C6 | C5 | C4 | 118.4° | 118.6° |
| C5 | C6 | O6 | 128.6° | 120.9° |
| C5 | C6 | N1 | 111.8° | 118.4° |
| C5 | C4 | N3 | 128.5° | 119.7° |
| O6 | C6 | N1 | 119.6° | 120.8° |
| C6 | N1 | C2 | 125.3° | 120.3° |
| C6 | N1 | H1 | 117.4° | 119.9° |
| C2 | N1 | H1 | 117.4° | 119.8° |
| N1 | C2 | N2 | 116.2° | 119.1° |
| N1 | C2 | N3 | 124.0° | 121.8° |
| N2 | C2 | N3 | 119.8° | 119.1° |
| C2 | N2 | H2N1 | 120.0° | 120.0° |
| C2 | N2 | H2N2 | 120.0° | 120.0° |
| C2 | N3 | C4 | 112.0° | 121.2° |
| H2N1 | N2 | H2N2 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1P | P | S2P | O3P | 128.2° | 120.0° |
| O1P | P | S2P | O5' | 14.9° | 120.0° |
| O1P | P | O3P | O5' | 114.8° | 120.0° |
| O1P | P | S2P | HS | 128.1° | 60.0° |
| O1P | P | O5' | C5' | 54.3° | 175.0° |
| S2P | P | O3P | O5' | 119.3° | 120.0° |
| S2P | P | O1P | H1P | 53.2° | 60.1° |
| S2P | P | O5' | C5' | 52.8° | 65.0° |
| O3P | P | O1P | H1P | 0.0° | 179.9° |
| O3P | P | S2P | HS | 0.0° | 60.0° |
| O3P | P | O5' | C5' | 61.6° | 55.0° |
| O5' | P | O1P | H1P | 112.3° | 60.0° |
| O5' | P | S2P | HS | 113.2° | 180.0° |
| P | O5' | C5' | C4' | 171.8° | 180.0° |
| P | O5' | C5' | H5'1 | 68.1° | 60.0° |
| P | O5' | C5' | H5'2 | 51.6° | 60.1° |
| O5' | C5' | C4' | H5'1 | 120.1° | 120.0° |
| O5' | C5' | C4' | H5'2 | 120.2° | 119.9° |
| O5' | C5' | H5'1 | H5'2 | 119.6° | 120.0° |
| O5' | C5' | C4' | O4' | 58.5° | 66.5° |
| O5' | C5' | C4' | C3' | 57.8° | 175.7° |
| O5' | C5' | C4' | H4' | 179.3° | 54.5° |
| C4' | C5' | H5'1 | H5'2 | 119.6° | 120.0° |
| C5' | C4' | O4' | C3' | 124.2° | 119.4° |
| C5' | C4' | O4' | H4' | 120.3° | 121.0° |
| C5' | C4' | C3' | H4' | 122.9° | 121.2° |
| C5' | C4' | O4' | C1' | 149.6° | 145.9° |
| C5' | C4' | C3' | O3' | 76.7° | 119.9° |
| C5' | C4' | C3' | C2' | 163.2° | 121.4° |
| C5' | C4' | C3' | H3' | 47.1° | 2.6° |
| H5'1 | C5' | C4' | O4' | 178.7° | 53.5° |
| H5'1 | C5' | C4' | C3' | 62.3° | 64.3° |
| H5'1 | C5' | C4' | H4' | 60.6° | 174.5° |
| H5'2 | C5' | C4' | O4' | 61.6° | 173.6° |
| H5'2 | C5' | C4' | C3' | 178.0° | 55.8° |
| H5'2 | C5' | C4' | H4' | 59.1° | 65.5° |
| O4' | C4' | C3' | H4' | 116.1° | 119.4° |
| O4' | C4' | C3' | O3' | 162.2° | 120.7° |
| O4' | C4' | C3' | C2' | 42.1° | 2.0° |
| O4' | C4' | C3' | H3' | 73.9° | 116.8° |
| C4' | O4' | C1' | C2' | 2.3° | 40.0° |
| C4' | O4' | C1' | N9 | 119.4° | 158.6° |
| C4' | O4' | C1' | H1' | 120.0° | 78.4° |
| C3' | C4' | O4' | C1' | 25.4° | 26.5° |
| C4' | C3' | O3' | C2' | 111.7° | 114.7° |
| C4' | C3' | O3' | H3' | 123.0° | 122.6° |
| C4' | C3' | C2' | H3' | 116.2° | 118.7° |
| C4' | C3' | O3' | HA | 180.0° | 180.0° |
| C4' | C3' | C2' | C1' | 42.8° | 20.9° |
| C4' | C3' | C2' | O2' | 72.7° | 139.1° |
| C4' | C3' | C2' | H2' | 160.3° | 97.3° |
| H4' | C4' | O4' | C1' | 90.1° | 93.1° |
| H4' | C4' | C3' | O3' | 46.2° | 1.2° |
| H4' | C4' | C3' | C2' | 74.0° | 117.4° |
| H4' | C4' | C3' | H3' | 170.0° | 123.8° |
| O4' | C1' | C2' | C3' | 28.6° | 37.0° |
| O4' | C1' | C2' | N9 | 118.5° | 118.5° |
| O4' | C1' | C2' | H1' | 118.9° | 118.5° |
| O4' | C1' | C2' | O2' | 89.6° | 155.2° |
| O4' | C1' | C2' | H2' | 146.2° | 81.2° |
| O4' | C1' | N9 | H1' | 121.0° | 123.0° |
| O4' | C1' | N9 | C8 | 12.5° | 23.6° |
| O4' | C1' | N9 | C4 | 168.9° | 156.8° |
| O3' | C3' | C2' | H3' | 126.1° | 122.6° |
| O3' | C3' | C2' | C1' | 160.5° | 97.8° |
| O3' | C3' | C2' | O2' | 45.1° | 20.4° |
| O3' | C3' | C2' | H2' | 81.9° | 144.0° |
| C2' | C3' | O3' | HA | 68.3° | 65.3° |
| C3' | C2' | C1' | O2' | 118.3° | 118.2° |
| C3' | C2' | C1' | H2' | 117.6° | 118.2° |
| C3' | C2' | O2' | H2' | 126.2° | 123.6° |
| C3' | C2' | C1' | N9 | 89.9° | 155.5° |
| C3' | C2' | C1' | H1' | 147.5° | 81.5° |
| C3' | C2' | O2' | HB | 180.0° | 61.4° |
| H3' | C3' | O3' | HA | 57.0° | 57.4° |
| H3' | C3' | C2' | C1' | 73.4° | 139.6° |
| H3' | C3' | C2' | O2' | 171.2° | 102.2° |
| H3' | C3' | C2' | H2' | 44.2° | 21.4° |
| C1' | C2' | O2' | H2' | 123.1° | 123.7° |
| C2' | C1' | N9 | H1' | 122.1° | 122.9° |
| C1' | C2' | O2' | HB | 69.3° | 174.2° |
| C2' | C1' | N9 | C8 | 104.5° | 90.5° |
| C2' | C1' | N9 | C4 | 74.1° | 89.2° |
| O2' | C2' | C1' | N9 | 151.8° | 86.3° |
| O2' | C2' | C1' | H1' | 29.2° | 36.7° |
| H2' | C2' | C1' | N9 | 27.7° | 37.3° |
| H2' | C2' | C1' | H1' | 94.9° | 160.3° |
| H2' | C2' | O2' | HB | 53.8° | 62.2° |
| C1' | N9 | C8 | C4 | 178.8° | 179.7° |
| C1' | N9 | C8 | N7 | 178.6° | 180.0° |
| C1' | N9 | C8 | H8 | 1.4° | 0.0° |
| C1' | N9 | C4 | C5 | 178.1° | 179.9° |
| C1' | N9 | C4 | N3 | 4.0° | 0.8° |
| H1' | C1' | N9 | C8 | 133.5° | 146.6° |
| H1' | C1' | N9 | C4 | 48.0° | 33.8° |
| N9 | C8 | N7 | H8 | 180.0° | 180.0° |
| N9 | C8 | N7 | C5 | 0.4° | 0.0° |
| C8 | N9 | C4 | C5 | 0.8° | 0.4° |
| C8 | N9 | C4 | N3 | 174.9° | 179.5° |
| C4 | N9 | C8 | N7 | 0.2° | 0.3° |
| C4 | N9 | C8 | H8 | 179.7° | 179.7° |
| N9 | C4 | C5 | N7 | 1.1° | 0.4° |
| N9 | C4 | C5 | C6 | 173.8° | 179.8° |
| N9 | C4 | C5 | N3 | 173.9° | 179.3° |
| N9 | C4 | N3 | C2 | 173.7° | 179.6° |
| C8 | N7 | C5 | C6 | 173.1° | 180.0° |
| C8 | N7 | C5 | C4 | 0.9° | 0.2° |
| H8 | C8 | N7 | C5 | 179.6° | 180.0° |
| N7 | C5 | C6 | C4 | 173.6° | 179.8° |
| N7 | C5 | C6 | O6 | 2.7° | 0.1° |
| N7 | C5 | C6 | N1 | 175.5° | 180.0° |
| N7 | C5 | C4 | N3 | 174.9° | 179.7° |
| C5 | C6 | O6 | N1 | 178.1° | 179.9° |
| C5 | C6 | N1 | C2 | 2.8° | 0.0° |
| C5 | C6 | N1 | H1 | 177.2° | 180.0° |
| C6 | C5 | C4 | N3 | 0.1° | 0.5° |
| C4 | C5 | C6 | O6 | 176.3° | 179.7° |
| C4 | C5 | C6 | N1 | 1.9° | 0.2° |
| C5 | C4 | N3 | C2 | 1.0° | 0.5° |
| O6 | C6 | N1 | C2 | 175.6° | 180.0° |
| O6 | C6 | N1 | H1 | 4.4° | 0.1° |
| C6 | N1 | C2 | H1 | 180.0° | 180.0° |
| C6 | N1 | C2 | N2 | 177.7° | 180.0° |
| C6 | N1 | C2 | N3 | 1.9° | 0.0° |
| N1 | C2 | N2 | N3 | 179.6° | 179.9° |
| N1 | C2 | N2 | H2N1 | 179.6° | 0.0° |
| N1 | C2 | N2 | H2N2 | 0.4° | 180.0° |
| N1 | C2 | N3 | C4 | 0.2° | 0.3° |
| H1 | N1 | C2 | N2 | 2.3° | 0.1° |
| H1 | N1 | C2 | N3 | 178.1° | 180.0° |
| C2 | N2 | H2N1 | H2N2 | 180.0° | 179.9° |
| N2 | C2 | N3 | C4 | 179.7° | 179.7° |
| N3 | C2 | N2 | H2N1 | 0.0° | 180.0° |
| N3 | C2 | N2 | H2N2 | 180.0° | 0.1° |
