XGL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | OP1 | doub | 1.48Å | 1.48Å | |
| P | OP2 | sing | 1.61Å | 1.46Å | |
| P | O5' | sing | 1.61Å | 1.64Å | |
| P | OP3 | sing | 1.61Å | 1.42Å | |
| OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
| O5' | C5' | sing | 1.43Å | 1.44Å | |
| C5' | C4' | sing | 1.53Å | 1.50Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'' | sing | 1.09Å | 1.10Å | |
| C4' | C6' | sing | 1.50Å | 1.46Å | |
| C4' | C3' | sing | 1.53Å | 1.53Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C6' | C7' | doub | 1.29Å | 1.33Å | |
| C6' | H6' | sing | 1.08Å | 1.08Å | |
| C7' | C1' | sing | 1.50Å | 1.57Å | |
| C7' | H7' | sing | 1.08Å | 1.08Å | |
| C3' | O3' | sing | 1.43Å | 1.42Å | |
| C3' | C2' | sing | 1.53Å | 1.53Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C2' | C1' | sing | 1.53Å | 1.56Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C2' | H2'' | sing | 1.09Å | 1.10Å | |
| C1' | N9 | sing | 1.46Å | 1.49Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| N9 | C8 | sing | 1.36Å | 1.38Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.37Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.31Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N7 | C5 | sing | 1.36Å | 1.39Å | Aromatic |
| C6 | O6 | doub | 1.22Å | 1.23Å | |
| C6 | C5 | sing | 1.41Å | 1.41Å | |
| C6 | N1 | sing | 1.35Å | 1.39Å | |
| C5 | C4 | doub | 1.40Å | 1.38Å | Aromatic |
| C4 | N3 | sing | 1.34Å | 1.35Å | |
| N3 | C2 | doub | 1.31Å | 1.33Å | |
| C2 | N2 | sing | 1.37Å | 1.34Å | |
| C2 | N1 | sing | 1.36Å | 1.37Å | |
| N2 | HN21 | sing | 0.97Å | 1.00Å | |
| N2 | HN22 | sing | 0.97Å | 1.00Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| OP3 | HOP3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OP1 | P | OP2 | 119.2° | 109.5° |
| OP1 | P | O5' | 105.5° | 109.5° |
| OP1 | P | OP3 | 105.2° | 109.5° |
| OP2 | P | O5' | 108.1° | 109.5° |
| OP2 | P | OP3 | 102.5° | 109.4° |
| P | OP2 | HOP2 | 109.5° | 106.8° |
| O5' | P | OP3 | 116.9° | 109.5° |
| P | O5' | C5' | 116.3° | 106.8° |
| P | OP3 | HOP3 | 109.5° | 106.8° |
| O5' | C5' | C4' | 111.8° | 109.4° |
| O5' | C5' | H5' | 108.2° | 109.5° |
| O5' | C5' | H5'' | 108.7° | 109.4° |
| C4' | C5' | H5' | 108.2° | 109.5° |
| C4' | C5' | H5'' | 108.7° | 109.5° |
| C5' | C4' | C6' | 106.0° | 109.2° |
| C5' | C4' | C3' | 110.7° | 109.3° |
| C5' | C4' | H4' | 111.6° | 109.4° |
| H5' | C5' | H5'' | 111.3° | 109.5° |
| C6' | C4' | C3' | 111.2° | 110.2° |
| C6' | C4' | H4' | 111.1° | 109.4° |
| C4' | C6' | C7' | 123.6° | 124.0° |
| C4' | C6' | H6' | 118.2° | 118.0° |
| C3' | C4' | H4' | 106.4° | 109.4° |
| C4' | C3' | O3' | 103.4° | 109.8° |
| C4' | C3' | C2' | 110.5° | 108.4° |
| C4' | C3' | H3' | 112.1° | 109.6° |
| C7' | C6' | H6' | 118.2° | 118.0° |
| C6' | C7' | C1' | 116.6° | 124.2° |
| C6' | C7' | H7' | 121.7° | 118.0° |
| C1' | C7' | H7' | 121.7° | 117.7° |
| C7' | C1' | C2' | 106.2° | 110.0° |
| C7' | C1' | N9 | 117.9° | 109.4° |
| C7' | C1' | H1' | 109.1° | 109.3° |
| O3' | C3' | C2' | 107.3° | 109.7° |
| O3' | C3' | H3' | 115.1° | 109.6° |
| C3' | O3' | HO3' | 109.5° | 106.9° |
| C2' | C3' | H3' | 108.5° | 109.6° |
| C3' | C2' | C1' | 107.7° | 108.5° |
| C3' | C2' | H2' | 110.5° | 109.6° |
| C3' | C2' | H2'' | 110.1° | 109.6° |
| C1' | C2' | H2' | 110.5° | 109.6° |
| C1' | C2' | H2'' | 110.0° | 109.7° |
| C2' | C1' | N9 | 117.1° | 109.4° |
| C2' | C1' | H1' | 110.2° | 109.4° |
| H2' | C2' | H2'' | 108.1° | 109.8° |
| N9 | C1' | H1' | 95.7° | 109.3° |
| C1' | N9 | C8 | 123.4° | 126.2° |
| C1' | N9 | C4 | 129.9° | 126.3° |
| C8 | N9 | C4 | 106.6° | 107.5° |
| N9 | C8 | N7 | 113.0° | 109.8° |
| N9 | C8 | H8 | 123.5° | 125.1° |
| N9 | C4 | C5 | 105.2° | 106.1° |
| N9 | C4 | N3 | 126.2° | 134.2° |
| N7 | C8 | H8 | 123.5° | 125.1° |
| C8 | N7 | C5 | 104.0° | 109.3° |
| N7 | C5 | C6 | 130.3° | 134.2° |
| N7 | C5 | C4 | 111.1° | 107.2° |
| O6 | C6 | C5 | 128.4° | 120.8° |
| O6 | C6 | N1 | 119.8° | 120.8° |
| C5 | C6 | N1 | 111.8° | 118.4° |
| C6 | C5 | C4 | 118.5° | 118.6° |
| C6 | N1 | C2 | 125.8° | 120.3° |
| C6 | N1 | HN1 | 117.1° | 119.9° |
| C5 | C4 | N3 | 128.6° | 119.7° |
| C4 | N3 | C2 | 112.6° | 121.1° |
| N3 | C2 | N2 | 121.1° | 119.0° |
| N3 | C2 | N1 | 122.7° | 122.0° |
| N2 | C2 | N1 | 116.2° | 119.0° |
| C2 | N2 | HN21 | 124.7° | 119.9° |
| C2 | N2 | HN22 | 110.6° | 120.0° |
| C2 | N1 | HN1 | 117.1° | 119.8° |
| HN21 | N2 | HN22 | 124.7° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP1 | P | OP2 | O5' | 120.3° | 120.0° |
| OP1 | P | OP2 | OP3 | 115.6° | 120.0° |
| OP1 | P | O5' | OP3 | 116.5° | 120.0° |
| OP1 | P | OP2 | HOP2 | 134.3° | 59.9° |
| OP1 | P | O5' | C5' | 43.0° | 55.0° |
| OP1 | P | OP3 | HOP3 | 13.5° | 180.0° |
| OP2 | P | O5' | OP3 | 114.9° | 120.0° |
| OP2 | P | O5' | C5' | 171.5° | 175.0° |
| OP2 | P | OP3 | HOP3 | 138.8° | 60.0° |
| O5' | P | OP2 | HOP2 | 105.4° | 179.9° |
| P | O5' | C5' | C4' | 145.8° | 180.0° |
| P | O5' | C5' | H5' | 95.2° | 60.0° |
| P | O5' | C5' | H5'' | 25.8° | 60.0° |
| O5' | P | OP3 | HOP3 | 103.2° | 60.0° |
| OP3 | P | OP2 | HOP2 | 18.7° | 60.1° |
| OP3 | P | O5' | C5' | 73.5° | 65.0° |
| O5' | C5' | C4' | H5' | 119.0° | 120.0° |
| O5' | C5' | C4' | H5'' | 120.0° | 119.9° |
| O5' | C5' | H5' | H5'' | 119.4° | 120.0° |
| O5' | C5' | C4' | C6' | 62.0° | 64.4° |
| O5' | C5' | C4' | C3' | 58.8° | 175.0° |
| O5' | C5' | C4' | H4' | 177.0° | 55.3° |
| C4' | C5' | H5' | H5'' | 119.4° | 120.0° |
| C5' | C4' | C6' | C3' | 120.4° | 120.1° |
| C5' | C4' | C6' | H4' | 121.3° | 119.7° |
| C5' | C4' | C3' | H4' | 121.4° | 119.7° |
| C5' | C4' | C6' | C7' | 156.4° | 137.3° |
| C5' | C4' | C6' | H6' | 23.6° | 42.8° |
| C5' | C4' | C3' | O3' | 80.4° | 70.7° |
| C5' | C4' | C3' | C2' | 165.2° | 169.5° |
| C5' | C4' | C3' | H3' | 44.1° | 49.8° |
| H5' | C5' | C4' | C6' | 179.0° | 55.6° |
| H5' | C5' | C4' | C3' | 60.3° | 65.0° |
| H5' | C5' | C4' | H4' | 58.0° | 175.3° |
| H5'' | C5' | C4' | C6' | 58.0° | 175.6° |
| H5'' | C5' | C4' | C3' | 178.8° | 55.0° |
| H5'' | C5' | C4' | H4' | 63.0° | 64.7° |
| C6' | C4' | C3' | H4' | 121.1° | 120.2° |
| C4' | C6' | C7' | H6' | 180.0° | 180.0° |
| C4' | C6' | C7' | C1' | 37.6° | 0.5° |
| C4' | C6' | C7' | H7' | 142.4° | 179.5° |
| C6' | C4' | C3' | O3' | 162.1° | 169.3° |
| C6' | C4' | C3' | C2' | 47.6° | 49.4° |
| C6' | C4' | C3' | H3' | 73.5° | 70.2° |
| C3' | C4' | C6' | C7' | 36.0° | 17.2° |
| C3' | C4' | C6' | H6' | 144.0° | 162.8° |
| C4' | C3' | O3' | C2' | 116.8° | 119.0° |
| C4' | C3' | O3' | H3' | 122.5° | 120.5° |
| C4' | C3' | C2' | H3' | 123.2° | 119.7° |
| C4' | C3' | O3' | HO3' | 80.2° | 179.0° |
| C4' | C3' | C2' | C1' | 63.3° | 67.4° |
| C4' | C3' | C2' | H2' | 176.0° | 172.9° |
| C4' | C3' | C2' | H2'' | 56.7° | 52.3° |
| H4' | C4' | C6' | C7' | 82.2° | 103.1° |
| H4' | C4' | C6' | H6' | 97.8° | 76.9° |
| H4' | C4' | C3' | O3' | 41.0° | 49.0° |
| H4' | C4' | C3' | C2' | 73.5° | 70.8° |
| H4' | C4' | C3' | H3' | 165.5° | 169.5° |
| C6' | C7' | C1' | H7' | 180.0° | 180.0° |
| C6' | C7' | C1' | C2' | 48.1° | 17.1° |
| C6' | C7' | C1' | N9 | 85.5° | 103.1° |
| C6' | C7' | C1' | H1' | 166.8° | 137.3° |
| H6' | C6' | C7' | C1' | 142.4° | 179.5° |
| H6' | C6' | C7' | H7' | 37.6° | 0.5° |
| C7' | C1' | C2' | C3' | 60.4° | 49.4° |
| C7' | C1' | C2' | N9 | 134.1° | 120.2° |
| C7' | C1' | C2' | H1' | 118.1° | 120.1° |
| C7' | C1' | C2' | H2' | 178.9° | 169.0° |
| C7' | C1' | C2' | H2'' | 59.6° | 70.3° |
| C7' | C1' | N9 | H1' | 115.2° | 119.7° |
| C7' | C1' | N9 | C8 | 35.7° | 52.4° |
| C7' | C1' | N9 | C4 | 144.3° | 127.5° |
| H7' | C7' | C1' | C2' | 131.9° | 162.9° |
| H7' | C7' | C1' | N9 | 94.5° | 77.0° |
| H7' | C7' | C1' | H1' | 13.2° | 42.7° |
| O3' | C3' | C2' | H3' | 124.8° | 120.4° |
| O3' | C3' | C2' | C1' | 175.3° | 172.6° |
| O3' | C3' | C2' | H2' | 64.0° | 53.0° |
| O3' | C3' | C2' | H2'' | 55.3° | 67.6° |
| C2' | C3' | O3' | HO3' | 163.0° | 60.0° |
| C3' | C2' | C1' | H2' | 120.7° | 119.6° |
| C3' | C2' | C1' | H2'' | 120.0° | 119.7° |
| C3' | C2' | H2' | H2'' | 120.5° | 120.5° |
| C3' | C2' | C1' | N9 | 73.7° | 70.8° |
| C3' | C2' | C1' | H1' | 178.4° | 169.5° |
| H3' | C3' | O3' | HO3' | 42.3° | 60.4° |
| H3' | C3' | C2' | C1' | 59.9° | 52.2° |
| H3' | C3' | C2' | H2' | 60.8° | 67.5° |
| H3' | C3' | C2' | H2'' | 179.9° | 172.0° |
| C1' | C2' | H2' | H2'' | 120.5° | 120.6° |
| C2' | C1' | N9 | H1' | 116.2° | 119.7° |
| C2' | C1' | N9 | C8 | 93.0° | 68.2° |
| C2' | C1' | N9 | C4 | 87.0° | 111.9° |
| H2' | C2' | C1' | N9 | 47.0° | 48.9° |
| H2' | C2' | C1' | H1' | 60.9° | 70.8° |
| H2'' | C2' | C1' | N9 | 166.3° | 169.5° |
| H2'' | C2' | C1' | H1' | 58.4° | 49.8° |
| C1' | N9 | C8 | C4 | 180.0° | 179.9° |
| C1' | N9 | C8 | N7 | 179.9° | 180.0° |
| C1' | N9 | C8 | H8 | 0.1° | 0.0° |
| C1' | N9 | C4 | C5 | 180.0° | 180.0° |
| C1' | N9 | C4 | N3 | 0.1° | 0.1° |
| H1' | C1' | N9 | C8 | 150.9° | 172.1° |
| H1' | C1' | N9 | C4 | 29.1° | 7.8° |
| N9 | C8 | N7 | H8 | 180.0° | 179.9° |
| N9 | C8 | N7 | C5 | 0.1° | 0.0° |
| C8 | N9 | C4 | C5 | 0.0° | 0.1° |
| C8 | N9 | C4 | N3 | 179.9° | 180.0° |
| C4 | N9 | C8 | N7 | 0.1° | 0.1° |
| C4 | N9 | C8 | H8 | 179.9° | 180.0° |
| N9 | C4 | C5 | N7 | 0.0° | 0.1° |
| N9 | C4 | C5 | C6 | 179.9° | 180.0° |
| N9 | C4 | C5 | N3 | 179.9° | 179.9° |
| N9 | C4 | N3 | C2 | 180.0° | 179.9° |
| C8 | N7 | C5 | C6 | 179.9° | 180.0° |
| C8 | N7 | C5 | C4 | 0.1° | 0.0° |
| H8 | C8 | N7 | C5 | 179.9° | 180.0° |
| N7 | C5 | C6 | O6 | 0.0° | 0.0° |
| N7 | C5 | C6 | C4 | 180.0° | 180.0° |
| N7 | C5 | C6 | N1 | 180.0° | 179.7° |
| N7 | C5 | C4 | N3 | 180.0° | 180.0° |
| O6 | C6 | C5 | N1 | 180.0° | 179.7° |
| O6 | C6 | C5 | C4 | 180.0° | 180.0° |
| O6 | C6 | N1 | C2 | 179.9° | 179.7° |
| O6 | C6 | N1 | HN1 | 0.0° | 0.2° |
| C6 | C5 | C4 | N3 | 0.0° | 0.1° |
| C5 | C6 | N1 | C2 | 0.0° | 0.6° |
| C5 | C6 | N1 | HN1 | 180.0° | 180.0° |
| N1 | C6 | C5 | C4 | 0.0° | 0.3° |
| C6 | N1 | C2 | N3 | 0.1° | 0.6° |
| C6 | N1 | C2 | N2 | 180.0° | 179.7° |
| C6 | N1 | C2 | HN1 | 180.0° | 179.5° |
| C5 | C4 | N3 | C2 | 0.1° | 0.1° |
| C4 | N3 | C2 | N2 | 180.0° | 179.9° |
| C4 | N3 | C2 | N1 | 0.1° | 0.2° |
| N3 | C2 | N2 | N1 | 179.9° | 179.7° |
| N3 | C2 | N2 | HN21 | 180.0° | 0.0° |
| N3 | C2 | N2 | HN22 | 0.1° | 179.7° |
| N3 | C2 | N1 | HN1 | 179.9° | 180.0° |
| C2 | N2 | HN21 | HN22 | 180.0° | 179.8° |
| N2 | C2 | N1 | HN1 | 0.0° | 0.2° |
| N1 | C2 | N2 | HN21 | 0.1° | 179.7° |
| N1 | C2 | N2 | HN22 | 180.0° | 0.5° |
