101
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | O1P | doub | 1.48Å | 1.48Å | |
| P | O2P | sing | 1.61Å | 1.49Å | |
| P | O3P | sing | 1.61Å | 1.49Å | |
| P | O3' | sing | 1.61Å | 1.62Å | |
| O2P | HOP2 | sing | 0.97Å | 0.95Å | |
| O3P | HOP3 | sing | 0.97Å | 0.95Å | |
| O5' | C5' | sing | 1.43Å | 1.42Å | |
| O5' | HO5' | sing | 0.97Å | 0.95Å | |
| C5' | C4' | sing | 1.53Å | 1.51Å | |
| C5' | H5'1 | sing | 1.09Å | 1.10Å | |
| C5' | H5'2 | sing | 1.09Å | 1.10Å | |
| C4' | O4' | sing | 1.45Å | 1.45Å | |
| C4' | C3' | sing | 1.55Å | 1.53Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| O4' | C1' | sing | 1.44Å | 1.41Å | |
| C3' | O3' | sing | 1.43Å | 1.44Å | |
| C3' | C2' | sing | 1.55Å | 1.52Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| C2' | C1' | sing | 1.54Å | 1.52Å | |
| C2' | H2'1 | sing | 1.09Å | 1.10Å | |
| C2' | H2'2 | sing | 1.09Å | 1.10Å | |
| C1' | N9 | sing | 1.47Å | 1.47Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| 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 | 1.08Å | |
| N7 | C5 | sing | 1.35Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.41Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.38Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.33Å | |
| C6 | N1 | doub | 1.33Å | 1.36Å | Aromatic |
| N6 | HN61 | sing | 0.97Å | 1.00Å | |
| N6 | HN62 | sing | 0.97Å | 1.00Å | |
| N1 | C2 | sing | 1.32Å | 1.34Å | Aromatic |
| C2 | N3 | doub | 1.32Å | 1.34Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N3 | C4 | sing | 1.33Å | 1.34Å | Aromatic |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1P | P | O2P | 119.3° | 109.5° |
| O1P | P | O3P | 108.1° | 109.5° |
| O1P | P | O3' | 109.4° | 109.5° |
| O2P | P | O3P | 107.9° | 109.4° |
| O2P | P | O3' | 108.1° | 109.5° |
| P | O2P | HOP2 | 109.5° | 106.8° |
| O3P | P | O3' | 102.9° | 109.5° |
| P | O3P | HOP3 | 109.5° | 106.8° |
| P | O3' | C3' | 119.8° | 106.8° |
| C5' | O5' | HO5' | 109.5° | 106.8° |
| O5' | C5' | C4' | 110.0° | 109.5° |
| O5' | C5' | H5'1 | 109.1° | 109.5° |
| O5' | C5' | H5'2 | 109.3° | 109.5° |
| C4' | C5' | H5'1 | 109.2° | 109.4° |
| C4' | C5' | H5'2 | 109.3° | 109.5° |
| C5' | C4' | O4' | 109.3° | 110.7° |
| C5' | C4' | C3' | 114.2° | 110.6° |
| C5' | C4' | H4' | 105.5° | 110.5° |
| H5'1 | C5' | H5'2 | 109.9° | 109.5° |
| O4' | C4' | C3' | 106.7° | 103.6° |
| O4' | C4' | H4' | 113.2° | 110.6° |
| C4' | O4' | C1' | 109.3° | 106.9° |
| C3' | C4' | H4' | 108.1° | 110.6° |
| C4' | C3' | O3' | 112.2° | 110.9° |
| C4' | C3' | C2' | 103.7° | 102.1° |
| C4' | C3' | H3' | 112.0° | 110.9° |
| O4' | C1' | C2' | 105.1° | 107.4° |
| O4' | C1' | N9 | 108.7° | 109.9° |
| O4' | C1' | H1' | 114.2° | 109.9° |
| O3' | C3' | C2' | 110.9° | 110.9° |
| O3' | C3' | H3' | 104.9° | 110.8° |
| C2' | C3' | H3' | 113.3° | 111.0° |
| C3' | C2' | C1' | 103.2° | 104.2° |
| C3' | C2' | H2'1 | 113.0° | 110.5° |
| C3' | C2' | H2'2 | 111.6° | 110.4° |
| C1' | C2' | H2'1 | 113.0° | 110.6° |
| C1' | C2' | H2'2 | 111.6° | 110.5° |
| C2' | C1' | N9 | 113.4° | 109.9° |
| C2' | C1' | H1' | 109.6° | 109.8° |
| H2'1 | C2' | H2'2 | 104.7° | 110.5° |
| N9 | C1' | H1' | 106.0° | 109.8° |
| C1' | N9 | C8 | 128.4° | 126.2° |
| C1' | N9 | C4 | 125.8° | 126.3° |
| C8 | N9 | C4 | 105.7° | 107.4° |
| N9 | C8 | N7 | 113.7° | 110.0° |
| N9 | C8 | H8 | 123.1° | 125.0° |
| N9 | C4 | C5 | 105.8° | 106.0° |
| N9 | C4 | N3 | 127.4° | 134.9° |
| N7 | C8 | H8 | 123.2° | 125.0° |
| C8 | N7 | C5 | 103.9° | 109.4° |
| N7 | C5 | C6 | 132.1° | 134.7° |
| N7 | C5 | C4 | 110.8° | 107.2° |
| C6 | C5 | C4 | 117.1° | 118.2° |
| C5 | C6 | N6 | 123.5° | 120.7° |
| C5 | C6 | N1 | 117.8° | 118.5° |
| C5 | C4 | N3 | 126.7° | 119.1° |
| N6 | C6 | N1 | 118.7° | 120.8° |
| C6 | N6 | HN61 | 124.9° | 119.9° |
| C6 | N6 | HN62 | 110.3° | 120.1° |
| C6 | N1 | C2 | 118.5° | 121.2° |
| HN61 | N6 | HN62 | 124.9° | 120.0° |
| N1 | C2 | N3 | 129.2° | 122.5° |
| N1 | C2 | H2 | 115.4° | 118.7° |
| N3 | C2 | H2 | 115.4° | 118.8° |
| C2 | N3 | C4 | 110.8° | 120.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1P | P | O2P | O3P | 123.7° | 120.0° |
| O1P | P | O2P | O3' | 125.7° | 120.0° |
| O1P | P | O3P | O3' | 115.6° | 120.0° |
| O1P | P | O2P | HOP2 | 63.8° | 180.0° |
| O1P | P | O3P | HOP3 | 135.8° | 60.0° |
| O1P | P | O3' | C3' | 39.0° | 55.0° |
| O2P | P | O3P | O3' | 114.1° | 120.0° |
| O2P | P | O3P | HOP3 | 94.0° | 60.0° |
| O2P | P | O3' | C3' | 170.3° | 65.0° |
| O3P | P | O2P | HOP2 | 59.9° | 60.0° |
| O3P | P | O3' | C3' | 75.7° | 175.0° |
| O3' | P | O2P | HOP2 | 170.5° | 60.0° |
| O3' | P | O3P | HOP3 | 20.1° | 180.0° |
| P | O3' | C3' | C4' | 156.0° | 125.8° |
| P | O3' | C3' | C2' | 88.5° | 121.5° |
| P | O3' | C3' | H3' | 34.1° | 2.2° |
| O5' | C5' | C4' | H5'1 | 119.8° | 120.0° |
| O5' | C5' | C4' | H5'2 | 120.0° | 120.0° |
| O5' | C5' | H5'1 | H5'2 | 119.8° | 120.0° |
| O5' | C5' | C4' | O4' | 73.1° | 70.8° |
| O5' | C5' | C4' | C3' | 46.3° | 175.0° |
| O5' | C5' | C4' | H4' | 165.0° | 52.2° |
| HO5' | O5' | C5' | C4' | 75.7° | 180.0° |
| HO5' | O5' | C5' | H5'1 | 44.1° | 60.0° |
| HO5' | O5' | C5' | H5'2 | 164.3° | 60.0° |
| C4' | C5' | H5'1 | H5'2 | 119.9° | 120.0° |
| C5' | C4' | O4' | C3' | 123.9° | 118.6° |
| C5' | C4' | O4' | H4' | 117.2° | 122.9° |
| C5' | C4' | C3' | H4' | 117.1° | 122.8° |
| C5' | C4' | O4' | C1' | 135.3° | 158.5° |
| C5' | C4' | C3' | O3' | 130.5° | 86.1° |
| C5' | C4' | C3' | C2' | 109.7° | 155.7° |
| C5' | C4' | C3' | H3' | 12.8° | 37.5° |
| H5'1 | C5' | C4' | O4' | 46.7° | 169.2° |
| H5'1 | C5' | C4' | C3' | 166.1° | 55.0° |
| H5'1 | C5' | C4' | H4' | 75.3° | 67.9° |
| H5'2 | C5' | C4' | O4' | 167.0° | 49.3° |
| H5'2 | C5' | C4' | C3' | 73.6° | 64.9° |
| H5'2 | C5' | C4' | H4' | 45.0° | 172.2° |
| O4' | C4' | C3' | H4' | 122.1° | 118.5° |
| O4' | C4' | C3' | O3' | 108.6° | 155.2° |
| O4' | C4' | C3' | C2' | 11.1° | 37.0° |
| O4' | C4' | C3' | H3' | 133.7° | 81.2° |
| C4' | O4' | C1' | C2' | 29.3° | 26.4° |
| C4' | O4' | C1' | N9 | 151.0° | 145.9° |
| C4' | O4' | C1' | H1' | 90.8° | 93.1° |
| C3' | C4' | O4' | C1' | 11.3° | 39.9° |
| C4' | C3' | O3' | C2' | 115.4° | 112.7° |
| C4' | C3' | O3' | H3' | 121.9° | 123.6° |
| C4' | C3' | C2' | H3' | 121.7° | 118.2° |
| C4' | C3' | C2' | C1' | 27.6° | 20.9° |
| C4' | C3' | C2' | H2'1 | 149.9° | 97.8° |
| C4' | C3' | C2' | H2'2 | 92.4° | 139.6° |
| H4' | C4' | O4' | C1' | 107.5° | 78.6° |
| H4' | C4' | C3' | O3' | 13.4° | 36.7° |
| H4' | C4' | C3' | C2' | 133.2° | 81.5° |
| H4' | C4' | C3' | H3' | 104.3° | 160.3° |
| O4' | C1' | C2' | C3' | 35.4° | 1.9° |
| O4' | C1' | C2' | N9 | 118.6° | 119.6° |
| O4' | C1' | C2' | H1' | 123.1° | 119.5° |
| O4' | C1' | C2' | H2'1 | 157.7° | 120.7° |
| O4' | C1' | C2' | H2'2 | 84.6° | 116.7° |
| O4' | C1' | N9 | H1' | 123.2° | 121.1° |
| O4' | C1' | N9 | C8 | 50.7° | 23.2° |
| O4' | C1' | N9 | C4 | 133.1° | 156.7° |
| O3' | C3' | C2' | H3' | 117.7° | 123.6° |
| O3' | C3' | C2' | C1' | 93.0° | 139.1° |
| O3' | C3' | C2' | H2'1 | 29.3° | 20.4° |
| O3' | C3' | C2' | H2'2 | 147.0° | 102.2° |
| C3' | C2' | C1' | H2'1 | 122.3° | 118.8° |
| C3' | C2' | C1' | H2'2 | 120.0° | 118.6° |
| C3' | C2' | H2'1 | H2'2 | 121.7° | 122.5° |
| C3' | C2' | C1' | N9 | 154.0° | 121.5° |
| C3' | C2' | C1' | H1' | 87.8° | 117.6° |
| H3' | C3' | C2' | C1' | 149.3° | 97.3° |
| H3' | C3' | C2' | H2'1 | 88.4° | 144.0° |
| H3' | C3' | C2' | H2'2 | 29.3° | 21.4° |
| C1' | C2' | H2'1 | H2'2 | 121.7° | 122.6° |
| C2' | C1' | N9 | H1' | 120.3° | 120.9° |
| C2' | C1' | N9 | C8 | 65.8° | 94.8° |
| C2' | C1' | N9 | C4 | 110.4° | 85.3° |
| H2'1 | C2' | C1' | N9 | 83.7° | 119.8° |
| H2'1 | C2' | C1' | H1' | 34.5° | 1.2° |
| H2'2 | C2' | C1' | N9 | 34.0° | 2.9° |
| H2'2 | C2' | C1' | H1' | 152.3° | 123.8° |
| C1' | N9 | C8 | C4 | 176.8° | 179.9° |
| C1' | N9 | C8 | N7 | 174.2° | 180.0° |
| C1' | N9 | C8 | H8 | 5.8° | 0.1° |
| C1' | N9 | C4 | C5 | 173.8° | 179.8° |
| C1' | N9 | C4 | N3 | 4.4° | 0.0° |
| H1' | C1' | N9 | C8 | 173.8° | 144.3° |
| H1' | C1' | N9 | C4 | 9.9° | 35.6° |
| N9 | C8 | N7 | H8 | 180.0° | 179.9° |
| N9 | C8 | N7 | C5 | 0.9° | 0.2° |
| C8 | N9 | C4 | C5 | 3.1° | 0.3° |
| C8 | N9 | C4 | N3 | 178.7° | 180.0° |
| C4 | N9 | C8 | N7 | 2.6° | 0.1° |
| C4 | N9 | C8 | H8 | 177.4° | 180.0° |
| N9 | C4 | C5 | N7 | 2.8° | 0.4° |
| N9 | C4 | C5 | C6 | 176.3° | 179.7° |
| N9 | C4 | C5 | N3 | 178.2° | 179.8° |
| N9 | C4 | N3 | C2 | 176.8° | 180.0° |
| C8 | N7 | C5 | C6 | 177.7° | 179.5° |
| C8 | N7 | C5 | C4 | 1.2° | 0.4° |
| H8 | C8 | N7 | C5 | 179.1° | 179.7° |
| N7 | C5 | C6 | C4 | 178.8° | 179.0° |
| N7 | C5 | C6 | N6 | 0.5° | 0.7° |
| N7 | C5 | C6 | N1 | 179.5° | 179.5° |
| N7 | C5 | C4 | N3 | 179.0° | 179.8° |
| C5 | C6 | N6 | N1 | 179.9° | 179.8° |
| C5 | C6 | N6 | HN61 | 0.0° | 179.7° |
| C5 | C6 | N6 | HN62 | 180.0° | 0.5° |
| C5 | C6 | N1 | C2 | 0.8° | 0.2° |
| C6 | C5 | C4 | N3 | 1.9° | 0.5° |
| C4 | C5 | C6 | N6 | 178.3° | 179.7° |
| C4 | C5 | C6 | N1 | 1.7° | 0.5° |
| C5 | C4 | N3 | C2 | 1.0° | 0.3° |
| C6 | N6 | HN61 | HN62 | 180.0° | 179.7° |
| N6 | C6 | N1 | C2 | 179.2° | 180.0° |
| N1 | C6 | N6 | HN61 | 179.9° | 0.1° |
| N1 | C6 | N6 | HN62 | 0.1° | 179.7° |
| C6 | N1 | C2 | N3 | 0.1° | 0.0° |
| C6 | N1 | C2 | H2 | 179.9° | 179.9° |
| N1 | C2 | N3 | H2 | 180.0° | 179.9° |
| N1 | C2 | N3 | C4 | 0.0° | 0.0° |
| H2 | C2 | N3 | C4 | 180.0° | 179.9° |
