GS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | OP1 | doub | 1.48Å | 1.48Å | |
| P | S2P | sing | 2.12Å | 2.13Å | |
| P | OP3 | sing | 1.61Å | 1.62Å | |
| P | O5' | sing | 1.61Å | 1.61Å | |
| S2P | HSP2 | sing | 1.35Å | 0.95Å | |
| OP3 | HOP3 | sing | 0.97Å | 0.95Å | |
| O5' | C5' | sing | 1.43Å | 1.42Å | |
| C5' | C4' | sing | 1.53Å | 1.53Å | |
| C5' | H5' | sing | 1.09Å | 1.09Å | |
| C5' | H5'' | sing | 1.09Å | 1.09Å | |
| C4' | O4' | sing | 1.45Å | 1.41Å | |
| C4' | C3' | sing | 1.55Å | 1.53Å | |
| C4' | H4' | sing | 1.09Å | 1.09Å | |
| O4' | C1' | sing | 1.44Å | 1.41Å | |
| C3' | O3' | sing | 1.43Å | 1.42Å | |
| C3' | C2' | sing | 1.55Å | 1.52Å | |
| C3' | H3' | sing | 1.09Å | 1.09Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C2' | C1' | sing | 1.54Å | 1.53Å | |
| C2' | H2' | sing | 1.09Å | 1.08Å | |
| C2' | H2'' | sing | 1.09Å | 1.09Å | |
| C1' | N9 | sing | 1.46Å | 1.48Å | |
| C1' | H1' | sing | 1.09Å | 1.09Å | |
| N9 | C8 | sing | 1.36Å | 1.37Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.37Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.30Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N7 | C5 | sing | 1.36Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.43Å | |
| C5 | C4 | doub | 1.40Å | 1.37Å | Aromatic |
| C6 | O6 | doub | 1.22Å | 1.23Å | |
| C6 | N1 | sing | 1.35Å | 1.39Å | |
| N1 | C2 | sing | 1.36Å | 1.38Å | |
| N1 | HN1 | sing | 0.97Å | 1.01Å | |
| C2 | N2 | sing | 1.37Å | 1.34Å | |
| C2 | N3 | doub | 1.31Å | 1.34Å | |
| N2 | HN21 | sing | 0.97Å | 1.01Å | |
| N2 | HN22 | sing | 0.97Å | 1.01Å | |
| N3 | C4 | sing | 1.34Å | 1.36Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OP1 | P | S2P | 120.3° | 109.5° |
| OP1 | P | OP3 | 107.4° | 109.4° |
| OP1 | P | O5' | 107.9° | 109.5° |
| S2P | P | OP3 | 108.5° | 109.5° |
| S2P | P | O5' | 107.7° | 109.5° |
| P | S2P | HSP2 | 120.3° | 100.0° |
| OP3 | P | O5' | 103.8° | 109.5° |
| P | OP3 | HOP3 | 107.4° | 106.8° |
| P | O5' | C5' | 121.3° | 106.8° |
| O5' | C5' | C4' | 110.3° | 109.5° |
| O5' | C5' | H5' | 109.9° | 109.4° |
| O5' | C5' | H5'' | 109.6° | 109.5° |
| C4' | C5' | H5' | 108.6° | 109.5° |
| C4' | C5' | H5'' | 109.3° | 109.4° |
| C5' | C4' | O4' | 110.7° | 110.8° |
| C5' | C4' | C3' | 113.9° | 110.7° |
| C5' | C4' | H4' | 109.4° | 110.5° |
| H5' | C5' | H5'' | 109.2° | 109.5° |
| O4' | C4' | C3' | 105.4° | 103.6° |
| O4' | C4' | H4' | 108.6° | 110.5° |
| C4' | O4' | C1' | 108.2° | 106.9° |
| C3' | C4' | H4' | 108.7° | 110.6° |
| C4' | C3' | O3' | 111.4° | 111.0° |
| C4' | C3' | C2' | 99.6° | 102.1° |
| C4' | C3' | H3' | 109.9° | 110.9° |
| O4' | C1' | C2' | 106.6° | 107.4° |
| O4' | C1' | N9 | 110.7° | 109.9° |
| O4' | C1' | H1' | 108.9° | 109.8° |
| O3' | C3' | C2' | 111.8° | 110.9° |
| O3' | C3' | H3' | 112.8° | 110.8° |
| C3' | O3' | HO3' | 111.3° | 106.8° |
| C2' | C3' | H3' | 110.6° | 110.9° |
| C3' | C2' | C1' | 104.9° | 104.2° |
| C3' | C2' | H2' | 110.9° | 110.5° |
| C3' | C2' | H2'' | 110.2° | 110.5° |
| C1' | C2' | H2' | 111.7° | 110.5° |
| C1' | C2' | H2'' | 108.7° | 110.5° |
| C2' | C1' | N9 | 111.5° | 109.9° |
| C2' | C1' | H1' | 109.2° | 109.9° |
| H2' | C2' | H2'' | 110.3° | 110.5° |
| N9 | C1' | H1' | 109.8° | 109.9° |
| C1' | N9 | C8 | 129.3° | 126.2° |
| C1' | N9 | C4 | 125.8° | 126.3° |
| C8 | N9 | C4 | 105.0° | 107.5° |
| N9 | C8 | N7 | 114.2° | 109.8° |
| N9 | C8 | H8 | 123.5° | 125.1° |
| N9 | C4 | C5 | 106.3° | 106.1° |
| N9 | C4 | N3 | 126.5° | 134.2° |
| N7 | C8 | H8 | 122.3° | 125.0° |
| C8 | N7 | C5 | 103.7° | 109.3° |
| N7 | C5 | C6 | 129.8° | 134.1° |
| N7 | C5 | C4 | 110.5° | 107.3° |
| C6 | C5 | C4 | 119.6° | 118.6° |
| C5 | C6 | O6 | 127.9° | 120.8° |
| C5 | C6 | N1 | 112.3° | 118.3° |
| C5 | C4 | N3 | 127.2° | 119.7° |
| O6 | C6 | N1 | 119.8° | 120.8° |
| C6 | N1 | C2 | 124.6° | 120.3° |
| C6 | N1 | HN1 | 116.3° | 119.8° |
| C2 | N1 | HN1 | 119.1° | 119.9° |
| N1 | C2 | N2 | 117.2° | 119.0° |
| N1 | C2 | N3 | 123.1° | 121.9° |
| N2 | C2 | N3 | 119.6° | 119.0° |
| C2 | N2 | HN21 | 119.8° | 120.0° |
| C2 | N2 | HN22 | 120.0° | 120.0° |
| C2 | N3 | C4 | 113.1° | 121.1° |
| HN21 | N2 | HN22 | 120.2° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP1 | P | S2P | OP3 | 124.1° | 120.0° |
| OP1 | P | S2P | O5' | 124.1° | 120.1° |
| OP1 | P | OP3 | O5' | 114.1° | 120.0° |
| OP1 | P | S2P | HSP2 | 180.0° | 180.0° |
| OP1 | P | OP3 | HOP3 | 180.0° | 60.0° |
| OP1 | P | O5' | C5' | 33.6° | 60.0° |
| S2P | P | OP3 | O5' | 114.4° | 120.0° |
| S2P | P | OP3 | HOP3 | 48.5° | 60.0° |
| S2P | P | O5' | C5' | 164.9° | 60.0° |
| OP3 | P | S2P | HSP2 | 55.9° | 60.0° |
| OP3 | P | O5' | C5' | 80.2° | 180.0° |
| O5' | P | S2P | HSP2 | 55.9° | 60.0° |
| O5' | P | OP3 | HOP3 | 65.9° | 180.0° |
| P | O5' | C5' | C4' | 169.7° | 180.0° |
| P | O5' | C5' | H5' | 50.1° | 60.0° |
| P | O5' | C5' | H5'' | 69.9° | 60.0° |
| O5' | C5' | C4' | H5' | 120.4° | 120.0° |
| O5' | C5' | C4' | H5'' | 120.6° | 120.1° |
| O5' | C5' | H5' | H5'' | 120.2° | 120.0° |
| O5' | C5' | C4' | O4' | 50.9° | 65.7° |
| O5' | C5' | C4' | C3' | 67.6° | 180.0° |
| O5' | C5' | C4' | H4' | 170.5° | 57.2° |
| C4' | C5' | H5' | H5'' | 119.1° | 120.0° |
| C5' | C4' | O4' | C3' | 123.5° | 118.7° |
| C5' | C4' | O4' | H4' | 120.1° | 122.9° |
| C5' | C4' | C3' | H4' | 122.3° | 122.8° |
| C5' | C4' | O4' | C1' | 158.4° | 158.5° |
| C5' | C4' | C3' | O3' | 81.6° | 86.1° |
| C5' | C4' | C3' | C2' | 160.3° | 155.7° |
| C5' | C4' | C3' | H3' | 44.2° | 37.5° |
| H5' | C5' | C4' | O4' | 69.5° | 174.3° |
| H5' | C5' | C4' | C3' | 172.0° | 60.0° |
| H5' | C5' | C4' | H4' | 50.1° | 62.8° |
| H5'' | C5' | C4' | O4' | 171.5° | 54.3° |
| H5'' | C5' | C4' | C3' | 53.0° | 60.0° |
| H5'' | C5' | C4' | H4' | 68.9° | 177.2° |
| O4' | C4' | C3' | H4' | 116.3° | 118.4° |
| O4' | C4' | C3' | O3' | 157.0° | 155.1° |
| O4' | C4' | C3' | C2' | 38.8° | 36.9° |
| O4' | C4' | C3' | H3' | 77.3° | 81.3° |
| C4' | O4' | C1' | C2' | 15.3° | 26.3° |
| C4' | O4' | C1' | N9 | 136.8° | 145.9° |
| C4' | O4' | C1' | H1' | 102.4° | 93.1° |
| C3' | C4' | O4' | C1' | 34.9° | 39.8° |
| C4' | C3' | O3' | C2' | 110.5° | 112.8° |
| C4' | C3' | O3' | H3' | 124.2° | 123.7° |
| C4' | C3' | C2' | H3' | 115.7° | 118.2° |
| C4' | C3' | O3' | HO3' | 180.0° | 174.2° |
| C4' | C3' | C2' | C1' | 28.7° | 20.9° |
| C4' | C3' | C2' | H2' | 149.4° | 97.8° |
| C4' | C3' | C2' | H2'' | 88.2° | 139.5° |
| H4' | C4' | O4' | C1' | 81.5° | 78.6° |
| H4' | C4' | C3' | O3' | 40.7° | 36.7° |
| H4' | C4' | C3' | C2' | 77.4° | 81.5° |
| H4' | C4' | C3' | H3' | 166.4° | 160.3° |
| O4' | C1' | C2' | C3' | 10.0° | 1.9° |
| O4' | C1' | C2' | N9 | 121.0° | 119.6° |
| O4' | C1' | C2' | H1' | 117.5° | 119.4° |
| O4' | C1' | C2' | H2' | 130.1° | 120.6° |
| O4' | C1' | C2' | H2'' | 107.9° | 116.7° |
| O4' | C1' | N9 | H1' | 120.2° | 121.0° |
| O4' | C1' | N9 | C8 | 28.9° | 28.3° |
| O4' | C1' | N9 | C4 | 151.1° | 151.8° |
| O3' | C3' | C2' | H3' | 126.6° | 123.5° |
| O3' | C3' | C2' | C1' | 146.5° | 139.2° |
| O3' | C3' | C2' | H2' | 92.9° | 20.4° |
| O3' | C3' | C2' | H2'' | 29.6° | 102.2° |
| C2' | C3' | O3' | HO3' | 69.5° | 61.4° |
| C3' | C2' | C1' | H2' | 120.2° | 118.7° |
| C3' | C2' | C1' | H2'' | 117.9° | 118.7° |
| C3' | C2' | H2' | H2'' | 122.4° | 122.6° |
| C3' | C2' | C1' | N9 | 111.0° | 121.5° |
| C3' | C2' | C1' | H1' | 127.5° | 117.5° |
| H3' | C3' | O3' | HO3' | 55.8° | 62.1° |
| H3' | C3' | C2' | C1' | 87.0° | 97.3° |
| H3' | C3' | C2' | H2' | 33.7° | 144.0° |
| H3' | C3' | C2' | H2'' | 156.2° | 21.4° |
| C1' | C2' | H2' | H2'' | 121.0° | 122.6° |
| C2' | C1' | N9 | H1' | 121.2° | 121.0° |
| C2' | C1' | N9 | C8 | 89.6° | 89.7° |
| C2' | C1' | N9 | C4 | 90.3° | 90.2° |
| H2' | C2' | C1' | N9 | 9.2° | 119.8° |
| H2' | C2' | C1' | H1' | 112.4° | 1.2° |
| H2'' | C2' | C1' | N9 | 131.1° | 2.8° |
| H2'' | C2' | C1' | H1' | 9.6° | 123.8° |
| C1' | N9 | C8 | C4 | 180.0° | 180.0° |
| C1' | N9 | C8 | N7 | 174.9° | 180.0° |
| C1' | N9 | C8 | H8 | 4.4° | 0.0° |
| C1' | N9 | C4 | C5 | 174.5° | 180.0° |
| C1' | N9 | C4 | N3 | 5.9° | 0.1° |
| H1' | C1' | N9 | C8 | 149.2° | 149.3° |
| H1' | C1' | N9 | C4 | 30.9° | 30.8° |
| N9 | C8 | N7 | H8 | 179.4° | 180.0° |
| N9 | C8 | N7 | C5 | 2.4° | 0.0° |
| C8 | N9 | C4 | C5 | 5.5° | 0.1° |
| C8 | N9 | C4 | N3 | 174.1° | 180.0° |
| C4 | N9 | C8 | N7 | 5.1° | 0.0° |
| C4 | N9 | C8 | H8 | 175.5° | 180.0° |
| N9 | C4 | C5 | N7 | 4.4° | 0.1° |
| N9 | C4 | C5 | C6 | 179.2° | 180.0° |
| N9 | C4 | C5 | N3 | 179.6° | 179.9° |
| N9 | C4 | N3 | C2 | 178.8° | 179.9° |
| C8 | N7 | C5 | C6 | 177.2° | 180.0° |
| C8 | N7 | C5 | C4 | 1.3° | 0.0° |
| H8 | C8 | N7 | C5 | 178.2° | 180.0° |
| N7 | C5 | C6 | C4 | 175.6° | 179.9° |
| N7 | C5 | C6 | O6 | 5.8° | 0.1° |
| N7 | C5 | C6 | N1 | 173.4° | 179.7° |
| N7 | C5 | C4 | N3 | 175.2° | 180.0° |
| C5 | C6 | O6 | N1 | 179.2° | 179.8° |
| C5 | C6 | N1 | C2 | 1.6° | 0.5° |
| C5 | C6 | N1 | HN1 | 177.8° | 180.0° |
| C6 | C5 | C4 | N3 | 1.2° | 0.1° |
| C4 | C5 | C6 | O6 | 178.6° | 180.0° |
| C4 | C5 | C6 | N1 | 2.2° | 0.2° |
| C5 | C4 | N3 | C2 | 0.7° | 0.0° |
| O6 | C6 | N1 | C2 | 179.1° | 179.7° |
| O6 | C6 | N1 | HN1 | 1.5° | 0.2° |
| C6 | N1 | C2 | HN1 | 179.4° | 179.5° |
| C6 | N1 | C2 | N2 | 179.0° | 179.7° |
| C6 | N1 | C2 | N3 | 0.3° | 0.5° |
| N1 | C2 | N2 | N3 | 179.3° | 179.7° |
| N1 | C2 | N2 | HN21 | 179.9° | 179.8° |
| N1 | C2 | N2 | HN22 | 1.2° | 0.6° |
| N1 | C2 | N3 | C4 | 1.4° | 0.3° |
| HN1 | N1 | C2 | N2 | 0.4° | 0.2° |
| HN1 | N1 | C2 | N3 | 179.7° | 179.9° |
| C2 | N2 | HN21 | HN22 | 178.7° | 179.7° |
| N2 | C2 | N3 | C4 | 177.8° | 180.0° |
| N3 | C2 | N2 | HN21 | 0.6° | 0.0° |
| N3 | C2 | N2 | HN22 | 178.0° | 179.7° |
