103
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | O1P | doub | 1.48Å | 1.49Å | |
| P | O2P | sing | 1.61Å | 1.48Å | |
| P | O3P | sing | 1.61Å | 1.48Å | |
| P | O3' | sing | 1.61Å | 1.61Å | |
| O2P | HOP2 | sing | 0.97Å | 0.95Å | |
| O3P | HOP3 | sing | 0.97Å | 0.95Å | |
| C5' | C4' | sing | 1.53Å | 1.50Å | |
| C5' | H5'1 | sing | 1.09Å | 1.11Å | |
| C5' | H5'2 | sing | 1.09Å | 1.11Å | |
| C5' | H5'3 | sing | 1.09Å | 1.12Å | |
| C4' | O4' | sing | 1.43Å | 1.45Å | |
| C4' | C3' | sing | 1.54Å | 1.54Å | |
| C4' | H4' | sing | 1.09Å | 1.12Å | |
| O4' | C1' | sing | 1.44Å | 1.41Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | C2' | sing | 1.55Å | 1.52Å | |
| C3' | H3' | sing | 1.09Å | 1.11Å | |
| C2' | C1' | sing | 1.55Å | 1.52Å | |
| C2' | H2'1 | sing | 1.09Å | 1.11Å | |
| C2' | H2'2 | sing | 1.09Å | 1.12Å | |
| C1' | N9 | sing | 1.46Å | 1.46Å | |
| C1' | H1' | sing | 1.09Å | 1.12Å | |
| N9 | C8 | sing | 1.36Å | 1.37Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.38Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.31Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| N7 | C5 | sing | 1.35Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.40Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.38Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.34Å | |
| C6 | N1 | doub | 1.33Å | 1.36Å | Aromatic |
| N6 | HN61 | sing | 0.97Å | 1.02Å | |
| N6 | HN62 | sing | 0.97Å | 1.02Å | |
| N1 | C2 | sing | 1.32Å | 1.33Å | Aromatic |
| C2 | N3 | doub | 1.32Å | 1.33Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| N3 | C4 | sing | 1.33Å | 1.35Å | Aromatic |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1P | P | O2P | 119.8° | 109.5° |
| O1P | P | O3P | 108.2° | 109.4° |
| O1P | P | O3' | 108.9° | 109.4° |
| O2P | P | O3P | 108.4° | 109.5° |
| O2P | P | O3' | 108.3° | 109.5° |
| P | O2P | HOP2 | 119.8° | 106.9° |
| O3P | P | O3' | 101.7° | 109.5° |
| P | O3P | HOP3 | 108.3° | 106.7° |
| P | O3' | C3' | 120.0° | 106.8° |
| C4' | C5' | H5'1 | 110.4° | 109.5° |
| C4' | C5' | H5'2 | 111.9° | 109.5° |
| C4' | C5' | H5'3 | 111.8° | 109.5° |
| C5' | C4' | O4' | 110.4° | 109.8° |
| C5' | C4' | C3' | 115.6° | 109.8° |
| C5' | C4' | H4' | 103.5° | 109.8° |
| H5'1 | C5' | H5'2 | 111.9° | 109.5° |
| H5'1 | C5' | H5'3 | 111.8° | 109.5° |
| H5'2 | C5' | H5'3 | 98.6° | 109.4° |
| O4' | C4' | C3' | 106.2° | 107.7° |
| O4' | C4' | H4' | 113.4° | 109.8° |
| C4' | O4' | C1' | 109.3° | 109.9° |
| C3' | C4' | H4' | 108.0° | 109.9° |
| C4' | C3' | O3' | 110.0° | 111.2° |
| C4' | C3' | C2' | 103.9° | 102.1° |
| C4' | C3' | H3' | 112.8° | 110.8° |
| O4' | C1' | C2' | 104.9° | 105.2° |
| O4' | C1' | N9 | 108.0° | 110.3° |
| O4' | C1' | H1' | 115.2° | 110.3° |
| O3' | C3' | C2' | 109.7° | 110.9° |
| O3' | C3' | H3' | 107.3° | 110.8° |
| C2' | C3' | H3' | 113.1° | 110.8° |
| C3' | C2' | C1' | 102.6° | 101.0° |
| C3' | C2' | H2'1 | 114.8° | 111.0° |
| C3' | C2' | H2'2 | 114.8° | 111.2° |
| C1' | C2' | H2'1 | 114.9° | 111.1° |
| C1' | C2' | H2'2 | 114.8° | 111.2° |
| C2' | C1' | N9 | 114.6° | 110.4° |
| C2' | C1' | H1' | 108.7° | 110.3° |
| H2'1 | C2' | H2'2 | 95.7° | 111.0° |
| N9 | C1' | H1' | 105.7° | 110.3° |
| C1' | N9 | C8 | 127.4° | 126.3° |
| C1' | N9 | C4 | 126.7° | 126.3° |
| C8 | N9 | C4 | 105.9° | 107.4° |
| N9 | C8 | N7 | 113.6° | 110.0° |
| N9 | C8 | H8 | 125.3° | 125.0° |
| N9 | C4 | C5 | 105.8° | 106.0° |
| N9 | C4 | N3 | 127.6° | 134.8° |
| N7 | C8 | H8 | 121.1° | 125.0° |
| C8 | N7 | C5 | 104.0° | 109.4° |
| N7 | C5 | C6 | 132.2° | 134.7° |
| N7 | C5 | C4 | 110.8° | 107.2° |
| C6 | C5 | C4 | 117.0° | 118.2° |
| C5 | C6 | N6 | 123.2° | 120.8° |
| C5 | C6 | N1 | 117.9° | 118.4° |
| C5 | C4 | N3 | 126.7° | 119.1° |
| N6 | C6 | N1 | 118.9° | 120.8° |
| C6 | N6 | HN61 | 123.2° | 119.9° |
| C6 | N6 | HN62 | 107.3° | 120.0° |
| C6 | N1 | C2 | 118.4° | 121.2° |
| HN61 | N6 | HN62 | 107.4° | 120.0° |
| N1 | C2 | N3 | 129.1° | 122.4° |
| N1 | C2 | H2 | 115.5° | 118.7° |
| N3 | C2 | H2 | 115.3° | 118.8° |
| C2 | N3 | C4 | 110.9° | 120.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1P | P | O2P | O3P | 124.8° | 119.9° |
| O1P | P | O2P | O3' | 125.7° | 120.0° |
| O1P | P | O3P | O3' | 114.6° | 119.9° |
| O1P | P | O2P | HOP2 | 179.9° | 60.1° |
| O1P | P | O3P | HOP3 | 180.0° | 180.0° |
| O1P | P | O3' | C3' | 87.4° | 60.0° |
| O2P | P | O3P | O3' | 114.0° | 120.1° |
| O2P | P | O3P | HOP3 | 48.6° | 60.1° |
| O2P | P | O3' | C3' | 44.5° | 180.0° |
| O3P | P | O2P | HOP2 | 55.2° | 59.9° |
| O3P | P | O3' | C3' | 158.5° | 59.9° |
| O3' | P | O2P | HOP2 | 54.3° | 179.9° |
| O3' | P | O3P | HOP3 | 65.4° | 60.0° |
| P | O3' | C3' | C4' | 127.1° | 125.7° |
| P | O3' | C3' | C2' | 119.2° | 121.4° |
| P | O3' | C3' | H3' | 4.1° | 2.0° |
| C4' | C5' | H5'1 | H5'2 | 125.3° | 120.0° |
| C4' | C5' | H5'1 | H5'3 | 125.2° | 120.0° |
| C4' | C5' | H5'2 | H5'3 | 117.8° | 119.9° |
| C5' | C4' | O4' | C3' | 126.0° | 119.6° |
| C5' | C4' | O4' | H4' | 115.6° | 120.8° |
| C5' | C4' | C3' | H4' | 115.3° | 120.8° |
| C5' | C4' | O4' | C1' | 137.7° | 117.8° |
| C5' | C4' | C3' | O3' | 131.6° | 100.9° |
| C5' | C4' | C3' | C2' | 111.1° | 140.8° |
| C5' | C4' | C3' | H3' | 11.8° | 22.7° |
| H5'1 | C5' | H5'2 | H5'3 | 117.8° | 120.0° |
| H5'1 | C5' | C4' | O4' | 180.0° | 44.8° |
| H5'1 | C5' | C4' | C3' | 59.5° | 163.1° |
| H5'1 | C5' | C4' | H4' | 58.3° | 76.0° |
| H5'2 | C5' | C4' | O4' | 54.7° | 164.8° |
| H5'2 | C5' | C4' | C3' | 65.8° | 76.9° |
| H5'2 | C5' | C4' | H4' | 176.4° | 44.0° |
| H5'3 | C5' | C4' | O4' | 54.8° | 75.3° |
| H5'3 | C5' | C4' | C3' | 175.3° | 43.0° |
| H5'3 | C5' | C4' | H4' | 66.9° | 163.9° |
| O4' | C4' | C3' | H4' | 121.9° | 119.6° |
| O4' | C4' | C3' | O3' | 105.6° | 139.5° |
| O4' | C4' | C3' | C2' | 11.7° | 21.3° |
| O4' | C4' | C3' | H3' | 134.6° | 96.8° |
| C4' | O4' | C1' | C2' | 30.5° | 24.4° |
| C4' | O4' | C1' | N9 | 153.1° | 94.6° |
| C4' | O4' | C1' | H1' | 89.0° | 143.3° |
| C3' | C4' | O4' | C1' | 11.7° | 1.7° |
| C4' | C3' | O3' | C2' | 113.7° | 112.9° |
| C4' | C3' | O3' | H3' | 123.0° | 123.7° |
| C4' | C3' | C2' | H3' | 122.7° | 118.1° |
| C4' | C3' | C2' | C1' | 28.8° | 34.0° |
| C4' | C3' | C2' | H2'1 | 96.5° | 83.9° |
| C4' | C3' | C2' | H2'2 | 154.0° | 152.0° |
| H4' | C4' | O4' | C1' | 106.7° | 121.4° |
| H4' | C4' | C3' | O3' | 16.2° | 19.9° |
| H4' | C4' | C3' | C2' | 133.6° | 98.4° |
| H4' | C4' | C3' | H3' | 103.5° | 143.6° |
| O4' | C1' | C2' | C3' | 36.7° | 36.4° |
| O4' | C1' | C2' | N9 | 118.3° | 118.9° |
| O4' | C1' | C2' | H1' | 123.7° | 118.9° |
| O4' | C1' | C2' | H2'1 | 88.6° | 81.5° |
| O4' | C1' | C2' | H2'2 | 161.9° | 154.4° |
| O4' | C1' | N9 | H1' | 123.8° | 122.0° |
| O4' | C1' | N9 | C8 | 38.5° | 18.4° |
| O4' | C1' | N9 | C4 | 142.1° | 162.0° |
| O3' | C3' | C2' | H3' | 119.8° | 123.4° |
| O3' | C3' | C2' | C1' | 88.8° | 152.5° |
| O3' | C3' | C2' | H2'1 | 145.9° | 34.6° |
| O3' | C3' | C2' | H2'2 | 36.4° | 89.5° |
| C3' | C2' | C1' | H2'1 | 125.3° | 117.8° |
| C3' | C2' | C1' | H2'2 | 125.2° | 118.0° |
| C3' | C2' | H2'1 | H2'2 | 120.7° | 124.2° |
| C3' | C2' | C1' | N9 | 155.0° | 82.6° |
| C3' | C2' | C1' | H1' | 87.0° | 155.3° |
| H3' | C3' | C2' | C1' | 151.4° | 84.1° |
| H3' | C3' | C2' | H2'1 | 26.1° | 158.0° |
| H3' | C3' | C2' | H2'2 | 83.3° | 33.9° |
| C1' | C2' | H2'1 | H2'2 | 120.7° | 124.2° |
| C2' | C1' | N9 | H1' | 119.7° | 122.2° |
| C2' | C1' | N9 | C8 | 78.0° | 97.4° |
| C2' | C1' | N9 | C4 | 101.4° | 82.2° |
| H2'1 | C2' | C1' | N9 | 29.7° | 159.6° |
| H2'1 | C2' | C1' | H1' | 147.7° | 37.4° |
| H2'2 | C2' | C1' | N9 | 79.8° | 35.5° |
| H2'2 | C2' | C1' | H1' | 38.2° | 86.7° |
| C1' | N9 | C8 | C4 | 179.5° | 179.7° |
| C1' | N9 | C8 | N7 | 179.0° | 180.0° |
| C1' | N9 | C8 | H8 | 1.0° | 0.1° |
| C1' | N9 | C4 | C5 | 178.9° | 179.9° |
| C1' | N9 | C4 | N3 | 0.5° | 0.9° |
| H1' | C1' | N9 | C8 | 162.4° | 140.4° |
| H1' | C1' | N9 | C4 | 18.3° | 40.0° |
| N9 | C8 | N7 | H8 | 180.0° | 180.0° |
| N9 | C8 | N7 | C5 | 0.1° | 0.0° |
| C8 | N9 | C4 | C5 | 0.6° | 0.4° |
| C8 | N9 | C4 | N3 | 180.0° | 179.5° |
| C4 | N9 | C8 | N7 | 0.4° | 0.3° |
| C4 | N9 | C8 | H8 | 179.6° | 179.7° |
| N9 | C4 | C5 | N7 | 0.5° | 0.4° |
| N9 | C4 | C5 | C6 | 179.3° | 179.8° |
| N9 | C4 | C5 | N3 | 179.4° | 179.2° |
| N9 | C4 | N3 | C2 | 178.8° | 179.5° |
| C8 | N7 | C5 | C6 | 179.5° | 180.0° |
| C8 | N7 | C5 | C4 | 0.3° | 0.3° |
| H8 | C8 | N7 | C5 | 179.9° | 180.0° |
| N7 | C5 | C6 | C4 | 179.8° | 179.7° |
| N7 | C5 | C6 | N6 | 1.2° | 0.0° |
| N7 | C5 | C6 | N1 | 179.3° | 180.0° |
| N7 | C5 | C4 | N3 | 180.0° | 179.6° |
| C5 | C6 | N6 | N1 | 179.5° | 180.0° |
| C5 | C6 | N6 | HN61 | 180.0° | 180.0° |
| C5 | C6 | N6 | HN62 | 54.7° | 0.0° |
| C5 | C6 | N1 | C2 | 0.7° | 0.0° |
| C6 | C5 | C4 | N3 | 0.2° | 0.6° |
| C4 | C5 | C6 | N6 | 179.1° | 179.7° |
| C4 | C5 | C6 | N1 | 0.5° | 0.3° |
| C5 | C4 | N3 | C2 | 0.5° | 0.6° |
| C6 | N6 | HN61 | HN62 | 125.3° | 180.0° |
| N6 | C6 | N1 | C2 | 178.8° | 180.0° |
| N1 | C6 | N6 | HN61 | 0.4° | 0.0° |
| N1 | C6 | N6 | HN62 | 125.7° | 180.0° |
| C6 | N1 | C2 | N3 | 0.4° | 0.1° |
| C6 | N1 | C2 | H2 | 179.6° | 180.0° |
| N1 | C2 | N3 | H2 | 180.0° | 179.9° |
| N1 | C2 | N3 | C4 | 0.2° | 0.4° |
| H2 | C2 | N3 | C4 | 179.8° | 179.7° |
