XMP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | O1P | sing | 1.61Å | 1.49Å | |
| P | O2P | sing | 1.61Å | 1.46Å | |
| P | O5' | sing | 1.61Å | 1.60Å | |
| P | O3P | doub | 1.48Å | 1.50Å | |
| O1P | HOP1 | sing | 0.97Å | 0.95Å | |
| O2P | HOP2 | sing | 0.97Å | 0.95Å | |
| O5' | C5' | sing | 1.43Å | 1.42Å | |
| C5' | C4' | sing | 1.53Å | 1.49Å | |
| C5' | H5'2 | sing | 1.09Å | 1.10Å | |
| C5' | H5'1 | sing | 1.09Å | 1.10Å | |
| C4' | O4' | sing | 1.44Å | 1.45Å | |
| C4' | C3' | sing | 1.54Å | 1.52Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| O4' | C1' | sing | 1.44Å | 1.44Å | |
| C1' | N9 | sing | 1.46Å | 1.45Å | |
| C1' | C2' | sing | 1.55Å | 1.53Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| N9 | C4 | sing | 1.36Å | 1.36Å | Aromatic |
| N9 | C8 | sing | 1.36Å | 1.37Å | Aromatic |
| C4 | N3 | sing | 1.38Å | 1.33Å | |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| N3 | C2 | sing | 1.34Å | 1.34Å | |
| N3 | H3 | sing | 0.97Å | 1.00Å | |
| N1 | C2 | sing | 1.34Å | 1.36Å | |
| N1 | C6 | sing | 1.35Å | 1.39Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C2 | O2 | doub | 1.22Å | 1.23Å | |
| C6 | O6 | doub | 1.22Å | 1.23Å | |
| C6 | C5 | sing | 1.46Å | 1.39Å | |
| C5 | N7 | sing | 1.35Å | 1.39Å | Aromatic |
| N7 | C8 | doub | 1.30Å | 1.31Å | Aromatic |
| N7 | H7 | sing | 0.97Å | 1.00Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C2' | O2' | sing | 1.43Å | 1.39Å | |
| C2' | C3' | sing | 1.55Å | 1.51Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | H2O1 | sing | 0.97Å | 0.95Å | |
| C3' | O3' | sing | 1.43Å | 1.47Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | H3O1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1P | P | O2P | 121.2° | 109.5° |
| O1P | P | O5' | 109.3° | 109.4° |
| O1P | P | O3P | 104.0° | 109.5° |
| P | O1P | HOP1 | 109.5° | 114.0° |
| O2P | P | O5' | 108.2° | 109.5° |
| O2P | P | O3P | 110.2° | 109.4° |
| P | O2P | HOP2 | 109.5° | 114.0° |
| O5' | P | O3P | 102.2° | 109.5° |
| P | O5' | C5' | 113.5° | 123.0° |
| O5' | C5' | C4' | 112.6° | 109.5° |
| O5' | C5' | H5'2 | 108.4° | 109.4° |
| O5' | C5' | H5'1 | 107.7° | 109.4° |
| C4' | C5' | H5'2 | 108.5° | 109.5° |
| C4' | C5' | H5'1 | 107.7° | 109.5° |
| C5' | C4' | O4' | 109.5° | 109.9° |
| C5' | C4' | C3' | 119.1° | 109.8° |
| C5' | C4' | H4' | 100.6° | 109.8° |
| H5'2 | C5' | H5'1 | 111.9° | 109.4° |
| O4' | C4' | C3' | 101.3° | 107.3° |
| O4' | C4' | H4' | 118.6° | 109.9° |
| C4' | O4' | C1' | 104.9° | 107.0° |
| C3' | C4' | H4' | 108.9° | 110.0° |
| C4' | C3' | C2' | 95.8° | 104.2° |
| C4' | C3' | O3' | 111.5° | 110.5° |
| C4' | C3' | H3' | 118.9° | 110.5° |
| O4' | C1' | N9 | 101.6° | 110.6° |
| O4' | C1' | C2' | 106.6° | 103.5° |
| O4' | C1' | H1' | 118.0° | 110.6° |
| N9 | C1' | C2' | 114.7° | 110.6° |
| N9 | C1' | H1' | 110.5° | 110.5° |
| C1' | N9 | C4 | 127.5° | 126.2° |
| C1' | N9 | C8 | 124.9° | 126.2° |
| C2' | C1' | H1' | 105.8° | 110.8° |
| C1' | C2' | O2' | 111.3° | 110.9° |
| C1' | C2' | C3' | 97.9° | 102.1° |
| C1' | C2' | H2' | 116.5° | 110.9° |
| C4 | N9 | C8 | 107.6° | 107.6° |
| N9 | C4 | N3 | 125.8° | 134.4° |
| N9 | C4 | C5 | 104.8° | 106.4° |
| N9 | C8 | N7 | 112.7° | 109.5° |
| N9 | C8 | H8 | 123.6° | 125.3° |
| N3 | C4 | C5 | 129.3° | 119.2° |
| C4 | N3 | C2 | 114.5° | 120.8° |
| C4 | N3 | H3 | 122.8° | 119.6° |
| C4 | C5 | C6 | 116.9° | 118.3° |
| C4 | C5 | N7 | 110.7° | 107.4° |
| C2 | N3 | H3 | 122.8° | 119.7° |
| N3 | C2 | N1 | 118.9° | 122.3° |
| N3 | C2 | O2 | 120.2° | 118.8° |
| C2 | N1 | C6 | 127.8° | 120.9° |
| C2 | N1 | H1 | 116.1° | 119.5° |
| N1 | C2 | O2 | 120.9° | 118.9° |
| C6 | N1 | H1 | 116.1° | 119.6° |
| N1 | C6 | O6 | 119.3° | 120.8° |
| N1 | C6 | C5 | 112.5° | 118.5° |
| O6 | C6 | C5 | 128.1° | 120.7° |
| C6 | C5 | N7 | 132.4° | 134.3° |
| C5 | N7 | C8 | 104.2° | 109.0° |
| C5 | N7 | H7 | 127.9° | 125.5° |
| C8 | N7 | H7 | 127.9° | 125.4° |
| N7 | C8 | H8 | 123.6° | 125.2° |
| O2' | C2' | C3' | 111.9° | 110.9° |
| O2' | C2' | H2' | 103.6° | 110.8° |
| C2' | O2' | H2O1 | 109.5° | 114.0° |
| C3' | C2' | H2' | 115.9° | 110.9° |
| C2' | C3' | O3' | 115.0° | 110.5° |
| C2' | C3' | H3' | 115.5° | 110.5° |
| O3' | C3' | H3' | 101.0° | 110.5° |
| C3' | O3' | H3O1 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1P | P | O2P | O5' | 127.4° | 120.0° |
| O1P | P | O2P | O3P | 121.7° | 120.0° |
| O1P | P | O5' | O3P | 109.7° | 120.0° |
| O1P | P | O2P | HOP2 | 85.3° | 60.0° |
| O1P | P | O5' | C5' | 17.3° | 175.0° |
| O2P | P | O5' | O3P | 116.3° | 120.0° |
| O2P | P | O1P | HOP1 | 107.3° | 59.9° |
| O2P | P | O5' | C5' | 151.2° | 65.0° |
| O5' | P | O1P | HOP1 | 125.8° | 179.9° |
| O5' | P | O2P | HOP2 | 42.0° | 60.0° |
| P | O5' | C5' | C4' | 126.9° | 180.0° |
| P | O5' | C5' | H5'2 | 6.9° | 60.0° |
| P | O5' | C5' | H5'1 | 114.5° | 59.9° |
| O3P | P | O1P | HOP1 | 17.3° | 60.0° |
| O3P | P | O2P | HOP2 | 153.0° | 180.0° |
| O3P | P | O5' | C5' | 92.5° | 55.0° |
| O5' | C5' | C4' | H5'2 | 120.0° | 119.9° |
| O5' | C5' | C4' | H5'1 | 118.7° | 120.0° |
| O5' | C5' | H5'2 | H5'1 | 118.7° | 119.9° |
| O5' | C5' | C4' | O4' | 147.0° | 66.4° |
| O5' | C5' | C4' | C3' | 31.3° | 175.8° |
| O5' | C5' | C4' | H4' | 87.4° | 54.6° |
| C4' | C5' | H5'2 | H5'1 | 118.7° | 120.1° |
| C5' | C4' | O4' | C3' | 126.6° | 119.4° |
| C5' | C4' | O4' | H4' | 114.5° | 121.0° |
| C5' | C4' | C3' | H4' | 114.4° | 121.0° |
| C5' | C4' | O4' | C1' | 91.3° | 145.9° |
| C5' | C4' | C3' | C2' | 64.9° | 121.5° |
| C5' | C4' | C3' | O3' | 175.3° | 119.9° |
| C5' | C4' | C3' | H3' | 58.5° | 2.8° |
| H5'2 | C5' | C4' | O4' | 93.0° | 53.5° |
| H5'2 | C5' | C4' | C3' | 151.3° | 64.3° |
| H5'2 | C5' | C4' | H4' | 32.6° | 174.5° |
| H5'1 | C5' | C4' | O4' | 28.3° | 173.5° |
| H5'1 | C5' | C4' | C3' | 87.3° | 55.7° |
| H5'1 | C5' | C4' | H4' | 154.0° | 65.4° |
| O4' | C4' | C3' | H4' | 125.7° | 119.6° |
| C4' | O4' | C1' | N9 | 119.0° | 158.6° |
| C4' | O4' | C1' | C2' | 1.4° | 40.1° |
| C4' | O4' | C1' | H1' | 120.1° | 78.6° |
| O4' | C4' | C3' | C2' | 55.0° | 2.1° |
| O4' | C4' | C3' | O3' | 64.8° | 120.7° |
| O4' | C4' | C3' | H3' | 178.4° | 116.6° |
| C3' | C4' | O4' | C1' | 35.2° | 26.6° |
| C4' | C3' | C2' | C1' | 51.6° | 20.8° |
| C4' | C3' | C2' | O2' | 168.4° | 139.1° |
| C4' | C3' | C2' | O3' | 117.0° | 118.6° |
| C4' | C3' | C2' | H3' | 125.9° | 118.7° |
| C4' | C3' | C2' | H2' | 73.0° | 97.4° |
| C4' | C3' | O3' | H3' | 127.2° | 122.7° |
| C4' | C3' | O3' | H3O1 | 121.8° | 180.0° |
| H4' | C4' | O4' | C1' | 154.2° | 93.1° |
| H4' | C4' | C3' | C2' | 179.3° | 117.5° |
| H4' | C4' | C3' | O3' | 60.9° | 1.2° |
| H4' | C4' | C3' | H3' | 55.9° | 123.8° |
| O4' | C1' | N9 | C2' | 114.6° | 114.1° |
| O4' | C1' | N9 | H1' | 126.0° | 122.9° |
| O4' | C1' | C2' | H1' | 126.4° | 118.6° |
| O4' | C1' | N9 | C4 | 121.1° | 156.5° |
| O4' | C1' | N9 | C8 | 57.1° | 23.2° |
| O4' | C1' | C2' | O2' | 150.1° | 155.2° |
| O4' | C1' | C2' | C3' | 32.8° | 37.0° |
| O4' | C1' | C2' | H2' | 91.5° | 81.2° |
| N9 | C1' | C2' | H1' | 122.0° | 122.9° |
| C1' | N9 | C4 | C8 | 178.5° | 179.8° |
| C1' | N9 | C4 | N3 | 0.5° | 0.1° |
| C1' | N9 | C4 | C5 | 178.3° | 180.0° |
| C1' | N9 | C8 | N7 | 179.0° | 179.8° |
| C1' | N9 | C8 | H8 | 1.0° | 0.0° |
| N9 | C1' | C2' | O2' | 98.3° | 86.2° |
| N9 | C1' | C2' | C3' | 144.4° | 155.5° |
| N9 | C1' | C2' | H2' | 20.1° | 37.3° |
| C2' | C1' | N9 | C4 | 124.3° | 89.4° |
| C2' | C1' | N9 | C8 | 57.5° | 90.8° |
| C1' | C2' | O2' | C3' | 108.4° | 112.8° |
| C1' | C2' | O2' | H2' | 126.0° | 123.6° |
| C1' | C2' | C3' | H2' | 124.6° | 118.2° |
| C1' | C2' | O2' | H2O1 | 70.6° | 180.0° |
| C1' | C2' | C3' | O3' | 65.4° | 97.8° |
| C1' | C2' | C3' | H3' | 177.5° | 139.6° |
| H1' | C1' | N9 | C4 | 4.9° | 33.6° |
| H1' | C1' | N9 | C8 | 176.9° | 146.1° |
| H1' | C1' | C2' | O2' | 23.7° | 36.7° |
| H1' | C1' | C2' | C3' | 93.6° | 81.5° |
| H1' | C1' | C2' | H2' | 142.1° | 160.2° |
| N9 | C4 | N3 | C5 | 178.4° | 179.9° |
| N9 | C4 | N3 | C2 | 179.8° | 180.0° |
| N9 | C4 | N3 | H3 | 0.2° | 0.1° |
| N9 | C4 | C5 | C6 | 178.9° | 180.0° |
| N9 | C4 | C5 | N7 | 0.8° | 0.1° |
| C4 | N9 | C8 | N7 | 0.5° | 0.4° |
| C4 | N9 | C8 | H8 | 179.5° | 179.8° |
| C8 | N9 | C4 | N3 | 178.9° | 179.7° |
| C8 | N9 | C4 | C5 | 0.2° | 0.2° |
| N9 | C8 | N7 | C5 | 1.0° | 0.5° |
| N9 | C8 | N7 | H8 | 180.0° | 179.8° |
| N9 | C8 | N7 | H7 | 179.0° | 179.8° |
| C4 | N3 | C2 | H3 | 180.0° | 179.9° |
| C4 | N3 | C2 | N1 | 1.2° | 0.0° |
| C4 | N3 | C2 | O2 | 179.2° | 180.0° |
| N3 | C4 | C5 | C6 | 2.4° | 0.0° |
| N3 | C4 | C5 | N7 | 179.5° | 180.0° |
| C5 | C4 | N3 | C2 | 1.8° | 0.1° |
| C5 | C4 | N3 | H3 | 178.2° | 180.0° |
| C4 | C5 | C6 | N1 | 2.3° | 0.0° |
| C4 | C5 | C6 | O6 | 179.8° | 179.9° |
| C4 | C5 | C6 | N7 | 177.6° | 180.0° |
| C4 | C5 | N7 | C8 | 1.1° | 0.3° |
| C4 | C5 | N7 | H7 | 178.9° | 179.9° |
| N3 | C2 | N1 | O2 | 178.0° | 180.0° |
| N3 | C2 | N1 | C6 | 1.7° | 0.1° |
| N3 | C2 | N1 | H1 | 178.3° | 180.0° |
| H3 | N3 | C2 | N1 | 178.8° | 179.9° |
| H3 | N3 | C2 | O2 | 0.8° | 0.0° |
| C2 | N1 | C6 | H1 | 180.0° | 179.9° |
| C2 | N1 | C6 | O6 | 180.0° | 180.0° |
| C2 | N1 | C6 | C5 | 2.2° | 0.1° |
| C6 | N1 | C2 | O2 | 179.7° | 180.0° |
| N1 | C6 | O6 | C5 | 177.4° | 179.9° |
| N1 | C6 | C5 | N7 | 179.8° | 180.0° |
| H1 | N1 | C2 | O2 | 0.3° | 0.0° |
| H1 | N1 | C6 | O6 | 0.0° | 0.1° |
| H1 | N1 | C6 | C5 | 177.8° | 180.0° |
| O6 | C6 | C5 | N7 | 2.6° | 0.0° |
| C6 | C5 | N7 | C8 | 178.8° | 179.7° |
| C6 | C5 | N7 | H7 | 1.2° | 0.0° |
| C5 | N7 | C8 | H7 | 180.0° | 179.8° |
| C5 | N7 | C8 | H8 | 179.0° | 179.8° |
| H7 | N7 | C8 | H8 | 1.0° | 0.0° |
| O2' | C2' | C3' | H2' | 118.6° | 123.6° |
| O2' | C2' | C3' | O3' | 51.4° | 20.4° |
| O2' | C2' | C3' | H3' | 65.7° | 102.2° |
| C3' | C2' | O2' | H2O1 | 179.1° | 67.3° |
| C2' | C3' | O3' | H3' | 125.1° | 122.6° |
| C2' | C3' | O3' | H3O1 | 14.1° | 65.2° |
| H2' | C2' | O2' | H2O1 | 55.3° | 56.4° |
| H2' | C2' | C3' | O3' | 170.0° | 144.0° |
| H2' | C2' | C3' | H3' | 52.9° | 21.4° |
| H3' | C3' | O3' | H3O1 | 111.0° | 57.4° |
