XNY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2' | C2' | sing | 1.43Å | 1.42Å | |
| C2 | C3 | doub | 1.37Å | 1.39Å | Aromatic |
| C2 | N1 | sing | 1.32Å | 1.35Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.38Å | Aromatic |
| C2' | C1' | sing | 1.55Å | 1.52Å | |
| C2' | C3' | sing | 1.55Å | 1.51Å | |
| O3' | C3' | sing | 1.43Å | 1.41Å | |
| N1 | C6 | doub | 1.32Å | 1.36Å | Aromatic |
| C1' | N9 | sing | 1.46Å | 1.46Å | |
| C1' | O4' | sing | 1.44Å | 1.41Å | |
| C4 | N9 | sing | 1.37Å | 1.38Å | Aromatic |
| C4 | C5 | doub | 1.41Å | 1.42Å | Aromatic |
| C3' | C4' | sing | 1.54Å | 1.51Å | |
| N9 | C8 | sing | 1.36Å | 1.37Å | Aromatic |
| C4' | O4' | sing | 1.44Å | 1.45Å | |
| C4' | C5' | sing | 1.53Å | 1.50Å | |
| C6 | C5 | sing | 1.40Å | 1.39Å | Aromatic |
| C6 | N6 | sing | 1.39Å | 1.37Å | |
| C5 | N7 | sing | 1.36Å | 1.40Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.36Å | Aromatic |
| C5' | O5' | sing | 1.43Å | 1.41Å | |
| O5' | P | sing | 1.61Å | 1.58Å | |
| P | OP1 | doub | 1.48Å | 1.49Å | |
| P | OP2 | sing | 1.61Å | 1.49Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'' | sing | 1.09Å | 1.10Å | |
| N6 | H61 | sing | 0.97Å | 1.00Å | |
| N6 | H62 | sing | 0.97Å | 1.00Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
| P | OP3 | sing | 1.61Å | 1.60Å | |
| OP3 | HOP3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2' | C2' | C1' | 109.1° | 110.6° |
| O2' | C2' | C3' | 110.5° | 110.5° |
| O2' | C2' | H2' | 113.2° | 110.6° |
| C2' | O2' | HO2' | 109.5° | 114.1° |
| C3 | C2 | N1 | 124.3° | 121.5° |
| C2 | C3 | C4 | 113.5° | 119.1° |
| C3 | C2 | H2 | 117.9° | 119.2° |
| C2 | C3 | H3 | 123.2° | 120.4° |
| C2 | N1 | C6 | 122.5° | 122.3° |
| N1 | C2 | H2 | 117.9° | 119.3° |
| C3 | C4 | N9 | 129.5° | 135.2° |
| C3 | C4 | C5 | 123.3° | 118.7° |
| C4 | C3 | H3 | 123.2° | 120.5° |
| C1' | C2' | C3' | 100.3° | 104.1° |
| C2' | C1' | N9 | 110.4° | 110.4° |
| C2' | C1' | O4' | 107.4° | 104.8° |
| C2' | C1' | H1' | 109.1° | 110.4° |
| C1' | C2' | H2' | 111.4° | 110.5° |
| C2' | C3' | O3' | 113.4° | 110.5° |
| C2' | C3' | C4' | 101.2° | 104.1° |
| C3' | C2' | H2' | 111.6° | 110.5° |
| C2' | C3' | H3' | 109.2° | 110.5° |
| O3' | C3' | C4' | 112.8° | 110.5° |
| O3' | C3' | H3' | 110.6° | 110.5° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| N1 | C6 | C5 | 117.0° | 120.0° |
| N1 | C6 | N6 | 121.2° | 120.0° |
| N9 | C1' | O4' | 109.2° | 110.4° |
| C1' | N9 | C4 | 126.0° | 126.3° |
| C1' | N9 | C8 | 125.4° | 126.4° |
| N9 | C1' | H1' | 109.9° | 110.4° |
| C1' | O4' | C4' | 109.1° | 105.3° |
| O4' | C1' | H1' | 110.7° | 110.4° |
| N9 | C4 | C5 | 107.1° | 106.1° |
| C4 | N9 | C8 | 108.6° | 107.3° |
| C4 | C5 | C6 | 119.4° | 118.5° |
| C4 | C5 | N7 | 106.8° | 107.0° |
| C3' | C4' | O4' | 103.1° | 104.8° |
| C3' | C4' | C5' | 116.5° | 110.4° |
| C4' | C3' | H3' | 109.2° | 110.5° |
| C3' | C4' | H4' | 108.5° | 110.4° |
| N9 | C8 | N7 | 109.6° | 110.0° |
| N9 | C8 | H8 | 125.2° | 125.0° |
| O4' | C4' | C5' | 110.5° | 110.3° |
| O4' | C4' | H4' | 109.3° | 110.4° |
| C4' | C5' | O5' | 110.9° | 109.5° |
| C5' | C4' | H4' | 108.7° | 110.4° |
| C4' | C5' | H5' | 109.1° | 109.5° |
| C4' | C5' | H5'' | 109.1° | 109.5° |
| C5 | C6 | N6 | 121.8° | 120.0° |
| C6 | C5 | N7 | 133.8° | 134.5° |
| C6 | N6 | H61 | 109.5° | 120.0° |
| C6 | N6 | H62 | 109.5° | 120.0° |
| C5 | N7 | C8 | 107.9° | 109.6° |
| N7 | C8 | H8 | 125.2° | 125.0° |
| C5' | O5' | P | 119.8° | 123.0° |
| O5' | C5' | H5' | 109.1° | 109.4° |
| O5' | C5' | H5'' | 109.1° | 109.5° |
| O5' | P | OP1 | 108.4° | 109.4° |
| O5' | P | OP2 | 108.2° | 109.5° |
| O5' | P | OP3 | 104.1° | 109.5° |
| OP1 | P | OP2 | 120.1° | 109.5° |
| OP1 | P | OP3 | 104.7° | 109.5° |
| P | OP2 | HOP2 | 109.5° | 114.0° |
| OP2 | P | OP3 | 110.2° | 109.5° |
| H5' | C5' | H5'' | 109.5° | 109.4° |
| H61 | N6 | H62 | 109.4° | 120.0° |
| P | OP3 | HOP3 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2' | C2' | C1' | C3' | 116.1° | 118.7° |
| O2' | C2' | C1' | H2' | 125.7° | 122.7° |
| O2' | C2' | C3' | H2' | 126.9° | 122.7° |
| O2' | C2' | C3' | O3' | 47.1° | 0.0° |
| O2' | C2' | C1' | N9 | 152.3° | 98.6° |
| O2' | C2' | C1' | O4' | 88.7° | 142.6° |
| O2' | C2' | C3' | C4' | 74.0° | 118.7° |
| O2' | C2' | C1' | H1' | 31.4° | 23.8° |
| O2' | C2' | C3' | H3' | 170.9° | 122.7° |
| C3 | C2 | N1 | H2 | 180.0° | 179.7° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C3 | C2 | N1 | C6 | 0.2° | 0.0° |
| C2 | C3 | C4 | N9 | 179.4° | 180.0° |
| C2 | C3 | C4 | C5 | 0.6° | 0.1° |
| N1 | C2 | C3 | C4 | 0.8° | 0.0° |
| C2 | N1 | C6 | C5 | 1.4° | 0.0° |
| C2 | N1 | C6 | N6 | 179.3° | 179.9° |
| N1 | C2 | C3 | H3 | 179.2° | 179.9° |
| C3 | C4 | N9 | C1' | 1.8° | 0.0° |
| C3 | C4 | N9 | C5 | 179.0° | 179.9° |
| C3 | C4 | N9 | C8 | 179.8° | 179.9° |
| C3 | C4 | C5 | C6 | 0.6° | 0.1° |
| C3 | C4 | C5 | N7 | 180.0° | 180.0° |
| C4 | C3 | C2 | H2 | 179.2° | 179.7° |
| C1' | C2' | C3' | H2' | 118.1° | 118.6° |
| C1' | C2' | C3' | O3' | 162.0° | 118.7° |
| C2' | C1' | N9 | O4' | 117.9° | 115.3° |
| C2' | C1' | N9 | H1' | 120.4° | 122.4° |
| C2' | C1' | O4' | H1' | 119.0° | 118.9° |
| C2' | C1' | N9 | C4 | 76.3° | 88.2° |
| C1' | C2' | C3' | C4' | 40.9° | 0.0° |
| C2' | C1' | N9 | C8 | 101.3° | 91.8° |
| C2' | C1' | O4' | C4' | 1.9° | 40.5° |
| C1' | C2' | C3' | H3' | 74.1° | 118.7° |
| C1' | C2' | O2' | HO2' | 180.0° | 180.0° |
| C2' | C3' | O3' | C4' | 114.3° | 114.7° |
| C2' | C3' | O3' | H3' | 123.1° | 122.6° |
| C3' | C2' | C1' | N9 | 91.6° | 142.8° |
| C3' | C2' | C1' | O4' | 27.4° | 24.0° |
| C2' | C3' | C4' | H3' | 115.1° | 118.6° |
| C2' | C3' | C4' | O4' | 41.0° | 24.0° |
| C2' | C3' | C4' | C5' | 162.2° | 142.8° |
| C3' | C2' | C1' | H1' | 147.5° | 94.9° |
| C2' | C3' | C4' | H4' | 74.8° | 94.9° |
| C3' | C2' | O2' | HO2' | 70.7° | 65.4° |
| C2' | C3' | O3' | HO3' | 180.0° | 61.4° |
| O3' | C3' | C4' | H3' | 123.4° | 122.7° |
| O3' | C3' | C4' | O4' | 162.6° | 142.7° |
| O3' | C3' | C4' | C5' | 76.3° | 98.5° |
| O3' | C3' | C2' | H2' | 79.8° | 122.7° |
| O3' | C3' | C4' | H4' | 46.7° | 23.8° |
| N1 | C6 | C5 | C4 | 1.5° | 0.1° |
| N1 | C6 | C5 | N6 | 178.0° | 179.9° |
| N1 | C6 | C5 | N7 | 179.2° | 180.0° |
| C6 | N1 | C2 | H2 | 179.8° | 179.7° |
| N1 | C6 | N6 | H61 | 0.0° | 180.0° |
| N1 | C6 | N6 | H62 | 120.0° | 0.1° |
| N9 | C1' | O4' | H1' | 121.2° | 122.3° |
| C1' | N9 | C4 | C8 | 178.0° | 180.0° |
| C1' | N9 | C4 | C5 | 179.2° | 180.0° |
| N9 | C1' | O4' | C4' | 117.8° | 159.3° |
| C1' | N9 | C8 | N7 | 179.1° | 180.0° |
| C1' | N9 | C8 | H8 | 1.0° | 0.1° |
| N9 | C1' | C2' | H2' | 26.7° | 24.2° |
| O4' | C1' | N9 | C4 | 165.8° | 156.5° |
| C1' | O4' | C4' | C3' | 24.6° | 40.5° |
| O4' | C1' | N9 | C8 | 16.5° | 23.5° |
| C1' | O4' | C4' | C5' | 149.7° | 159.4° |
| O4' | C1' | C2' | H2' | 145.7° | 94.6° |
| C1' | O4' | C4' | H4' | 90.7° | 78.3° |
| N9 | C4 | C5 | C6 | 178.5° | 180.0° |
| N9 | C4 | C5 | N7 | 0.9° | 0.0° |
| C4 | N9 | C8 | N7 | 1.1° | 0.0° |
| N9 | C4 | C3 | H3 | 0.6° | 0.1° |
| C4 | N9 | C8 | H8 | 178.9° | 180.0° |
| C4 | N9 | C1' | H1' | 44.1° | 34.2° |
| C5 | C4 | N9 | C8 | 1.2° | 0.0° |
| C4 | C5 | C6 | N7 | 179.3° | 179.9° |
| C4 | C5 | C6 | N6 | 179.5° | 180.0° |
| C4 | C5 | N7 | C8 | 0.3° | 0.1° |
| C5 | C4 | C3 | H3 | 179.4° | 180.0° |
| C3' | C4' | O4' | C5' | 125.2° | 118.9° |
| C3' | C4' | O4' | H4' | 115.2° | 118.8° |
| C3' | C4' | C5' | H4' | 122.9° | 122.3° |
| C3' | C4' | C5' | O5' | 57.3° | 174.9° |
| C4' | C3' | C2' | H2' | 159.1° | 118.6° |
| C3' | C4' | C5' | H5' | 177.6° | 55.0° |
| C3' | C4' | C5' | H5'' | 62.9° | 64.9° |
| C4' | C3' | O3' | HO3' | 65.7° | 176.1° |
| N9 | C8 | N7 | C5 | 0.5° | 0.1° |
| N9 | C8 | N7 | H8 | 180.0° | 179.9° |
| C8 | N9 | C1' | H1' | 138.2° | 145.8° |
| O4' | C4' | C5' | H4' | 120.0° | 122.3° |
| O4' | C4' | C5' | O5' | 59.8° | 69.7° |
| C4' | O4' | C1' | H1' | 121.0° | 78.4° |
| O4' | C4' | C3' | H3' | 74.0° | 94.7° |
| O4' | C4' | C5' | H5' | 60.4° | 170.4° |
| O4' | C4' | C5' | H5'' | 180.0° | 50.4° |
| C4' | C5' | O5' | H5' | 120.2° | 120.0° |
| C4' | C5' | O5' | H5'' | 120.2° | 120.1° |
| C4' | C5' | O5' | P | 164.0° | 180.0° |
| C5' | C4' | C3' | H3' | 47.2° | 24.1° |
| C4' | C5' | H5' | H5'' | 119.3° | 120.0° |
| C6 | C5 | N7 | C8 | 179.1° | 180.0° |
| C5 | C6 | N6 | H61 | 177.9° | 0.1° |
| C5 | C6 | N6 | H62 | 62.1° | 180.0° |
| N6 | C6 | C5 | N7 | 1.3° | 0.1° |
| C6 | N6 | H61 | H62 | 120.0° | 179.9° |
| C5 | N7 | C8 | H8 | 179.5° | 180.0° |
| C5' | O5' | P | OP1 | 42.7° | 55.1° |
| C5' | O5' | P | OP2 | 174.5° | 64.9° |
| O5' | C5' | C4' | H4' | 179.8° | 52.6° |
| O5' | C5' | H5' | H5'' | 119.3° | 120.0° |
| C5' | O5' | P | OP3 | 68.4° | 175.0° |
| O5' | P | OP1 | OP2 | 125.0° | 120.0° |
| O5' | P | OP1 | OP3 | 110.6° | 120.0° |
| O5' | P | OP2 | OP3 | 113.2° | 120.0° |
| P | O5' | C5' | H5' | 43.8° | 60.0° |
| P | O5' | C5' | H5'' | 75.8° | 59.9° |
| O5' | P | OP2 | HOP2 | 125.2° | 60.0° |
| O5' | P | OP3 | HOP3 | 113.7° | 179.9° |
| OP1 | P | OP2 | OP3 | 121.7° | 120.0° |
| OP1 | P | OP2 | HOP2 | 0.0° | 180.0° |
| OP1 | P | OP3 | HOP3 | 0.0° | 60.0° |
| OP2 | P | OP3 | HOP3 | 130.5° | 60.0° |
| H2 | C2 | C3 | H3 | 0.8° | 0.3° |
| H1' | C1' | C2' | H2' | 94.3° | 146.5° |
| H2' | C2' | C3' | H3' | 44.0° | 0.0° |
| H2' | C2' | O2' | HO2' | 55.3° | 57.3° |
| H3' | C3' | C4' | H4' | 170.1° | 146.5° |
| H3' | C3' | O3' | HO3' | 57.0° | 61.2° |
| H4' | C4' | C5' | H5' | 59.6° | 67.3° |
| H4' | C4' | C5' | H5'' | 60.0° | 172.7° |
| HOP2 | OP2 | P | OP3 | 121.6° | 60.0° |
