DI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OP3 | P | sing | 1.62Å | 62.09Å | |
| OP3 | HOP3 | sing | 0.98Å | 0.95Å | |
| P | OP1 | doub | 1.50Å | 1.46Å | |
| P | OP2 | sing | 1.62Å | 1.52Å | |
| P | O5' | sing | 1.62Å | 1.54Å | |
| OP2 | HOP2 | sing | 0.98Å | 0.95Å | |
| O5' | C5' | sing | 1.42Å | 1.40Å | |
| C5' | C4' | sing | 1.52Å | 1.51Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'' | sing | 1.09Å | 1.10Å | |
| C4' | O4' | sing | 1.44Å | 1.46Å | |
| C4' | C3' | sing | 1.52Å | 1.53Å | |
| C4' | H4' | sing | 1.10Å | 1.10Å | |
| O4' | C1' | sing | 1.44Å | 1.45Å | |
| C3' | O3' | sing | 1.43Å | 1.41Å | |
| C3' | C2' | sing | 1.51Å | 1.52Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C2' | C1' | sing | 1.52Å | 1.53Å | |
| C2' | H2' | sing | 1.10Å | 1.10Å | |
| C2' | H2'' | sing | 1.09Å | 1.10Å | |
| C1' | N9 | sing | 1.46Å | 1.44Å | |
| C1' | H1' | sing | 1.10Å | 1.10Å | |
| N9 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.39Å | Aromatic |
| C8 | N7 | doub | 1.32Å | 1.33Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N7 | C5 | sing | 1.36Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.44Å | 1.40Å | |
| C5 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | O6 | doub | 1.22Å | 1.26Å | |
| C6 | N1 | sing | 1.40Å | 1.39Å | |
| N1 | C2 | sing | 1.40Å | 1.42Å | |
| N1 | H1 | sing | 1.02Å | 1.00Å | |
| C2 | N3 | doub | 1.30Å | 1.39Å | |
| C2 | H2 | sing | 1.10Å | 1.08Å | |
| N3 | C4 | sing | 1.35Å | 1.35Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| P | OP3 | HOP3 | 113.5° | 118.9° |
| OP3 | P | OP1 | 113.6° | 115.3° |
| OP3 | P | OP2 | 79.3° | 103.3° |
| OP3 | P | O5' | 127.0° | 103.7° |
| OP1 | P | OP2 | 120.0° | 115.0° |
| OP1 | P | O5' | 108.3° | 115.0° |
| OP2 | P | O5' | 106.5° | 102.9° |
| P | OP2 | HOP2 | 109.5° | 118.9° |
| P | O5' | C5' | 120.6° | 118.5° |
| O5' | C5' | C4' | 107.0° | 108.7° |
| O5' | C5' | H5' | 110.9° | 109.2° |
| O5' | C5' | H5'' | 110.3° | 109.2° |
| C4' | C5' | H5' | 110.9° | 110.1° |
| C4' | C5' | H5'' | 110.3° | 110.1° |
| C5' | C4' | O4' | 113.7° | 108.0° |
| C5' | C4' | C3' | 120.0° | 112.7° |
| C5' | C4' | H4' | 97.4° | 109.4° |
| H5' | C5' | H5'' | 107.6° | 109.6° |
| O4' | C4' | C3' | 107.9° | 106.8° |
| O4' | C4' | H4' | 112.4° | 107.7° |
| C4' | O4' | C1' | 106.8° | 108.7° |
| C3' | C4' | H4' | 104.7° | 112.0° |
| C4' | C3' | O3' | 107.0° | 109.6° |
| C4' | C3' | C2' | 99.9° | 103.2° |
| C4' | C3' | H3' | 117.3° | 114.0° |
| O4' | C1' | C2' | 106.9° | 106.7° |
| O4' | C1' | N9 | 103.0° | 110.0° |
| O4' | C1' | H1' | 118.8° | 108.1° |
| O3' | C3' | C2' | 110.5° | 108.4° |
| O3' | C3' | H3' | 107.8° | 107.8° |
| C3' | O3' | HO3' | 109.5° | 106.6° |
| C2' | C3' | H3' | 114.1° | 113.7° |
| C3' | C2' | C1' | 102.1° | 101.6° |
| C3' | C2' | H2' | 113.6° | 110.0° |
| C3' | C2' | H2'' | 112.0° | 114.2° |
| C1' | C2' | H2' | 113.6° | 110.5° |
| C1' | C2' | H2'' | 112.0° | 111.7° |
| C2' | C1' | N9 | 118.6° | 114.3° |
| C2' | C1' | H1' | 103.3° | 111.7° |
| H2' | C2' | H2'' | 103.9° | 108.7° |
| N9 | C1' | H1' | 107.2° | 105.9° |
| C1' | N9 | C8 | 123.3° | 126.2° |
| C1' | N9 | C4 | 128.3° | 127.3° |
| C8 | N9 | C4 | 108.4° | 106.6° |
| N9 | C8 | N7 | 111.4° | 112.6° |
| N9 | C8 | H8 | 124.3° | 121.9° |
| N9 | C4 | C5 | 103.8° | 105.0° |
| N9 | C4 | N3 | 127.7° | 126.2° |
| N7 | C8 | H8 | 124.3° | 125.5° |
| C8 | N7 | C5 | 104.7° | 103.9° |
| N7 | C5 | C6 | 128.9° | 128.6° |
| N7 | C5 | C4 | 111.7° | 112.0° |
| C6 | C5 | C4 | 119.4° | 119.4° |
| C5 | C6 | O6 | 124.8° | 123.8° |
| C5 | C6 | N1 | 113.3° | 110.9° |
| C5 | C4 | N3 | 128.4° | 128.8° |
| O6 | C6 | N1 | 121.9° | 125.4° |
| C6 | N1 | C2 | 125.1° | 123.6° |
| C6 | N1 | H1 | 117.5° | 118.2° |
| C2 | N1 | H1 | 117.4° | 118.2° |
| N1 | C2 | N3 | 120.8° | 125.8° |
| N1 | C2 | H2 | 119.6° | 112.7° |
| N3 | C2 | H2 | 119.6° | 121.5° |
| C2 | N3 | C4 | 113.1° | 111.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP3 | P | OP1 | OP2 | 91.0° | 120.1° |
| OP3 | P | OP1 | O5' | 146.7° | 120.6° |
| OP3 | P | OP2 | O5' | 125.7° | 107.7° |
| OP3 | P | OP2 | HOP2 | 10.1° | 78.5° |
| OP3 | P | O5' | C5' | 69.5° | 53.2° |
| HOP3 | OP3 | P | OP1 | 180.0° | 48.8° |
| HOP3 | OP3 | P | OP2 | 61.8° | 77.5° |
| HOP3 | OP3 | P | O5' | 40.8° | 175.4° |
| OP1 | P | OP2 | O5' | 123.2° | 125.8° |
| OP1 | P | OP2 | HOP2 | 121.3° | 48.0° |
| OP1 | P | O5' | C5' | 71.4° | 180.0° |
| OP2 | P | O5' | C5' | 158.4° | 54.2° |
| O5' | P | OP2 | HOP2 | 115.5° | 173.9° |
| P | O5' | C5' | C4' | 144.8° | 180.0° |
| P | O5' | C5' | H5' | 23.8° | 59.9° |
| P | O5' | C5' | H5'' | 95.2° | 59.9° |
| O5' | C5' | C4' | H5' | 121.0° | 119.6° |
| O5' | C5' | C4' | H5'' | 120.0° | 119.5° |
| O5' | C5' | H5' | H5'' | 120.7° | 119.6° |
| O5' | C5' | C4' | O4' | 169.2° | 61.8° |
| O5' | C5' | C4' | C3' | 61.0° | 179.5° |
| O5' | C5' | C4' | H4' | 50.7° | 55.2° |
| C4' | C5' | H5' | H5'' | 120.7° | 121.2° |
| C5' | C4' | O4' | C3' | 135.6° | 121.5° |
| C5' | C4' | O4' | H4' | 109.5° | 118.0° |
| C5' | C4' | C3' | H4' | 107.7° | 123.8° |
| C5' | C4' | O4' | C1' | 121.9° | 116.0° |
| C5' | C4' | C3' | O3' | 146.3° | 152.1° |
| C5' | C4' | C3' | C2' | 98.6° | 92.6° |
| C5' | C4' | C3' | H3' | 25.2° | 31.2° |
| H5' | C5' | C4' | O4' | 69.9° | 57.8° |
| H5' | C5' | C4' | C3' | 59.9° | 60.0° |
| H5' | C5' | C4' | H4' | 171.6° | 174.7° |
| H5'' | C5' | C4' | O4' | 49.2° | 178.7° |
| H5'' | C5' | C4' | C3' | 179.0° | 60.9° |
| H5'' | C5' | C4' | H4' | 69.3° | 64.3° |
| O4' | C4' | C3' | H4' | 119.9° | 117.7° |
| O4' | C4' | C3' | O3' | 81.4° | 89.4° |
| O4' | C4' | C3' | C2' | 33.8° | 25.9° |
| O4' | C4' | C3' | H3' | 157.6° | 149.7° |
| C4' | O4' | C1' | C2' | 12.3° | 17.3° |
| C4' | O4' | C1' | N9 | 138.0° | 141.8° |
| C4' | O4' | C1' | H1' | 103.9° | 103.1° |
| C3' | C4' | O4' | C1' | 13.8° | 5.5° |
| C4' | C3' | O3' | C2' | 107.8° | 111.9° |
| C4' | C3' | O3' | H3' | 126.9° | 124.6° |
| C4' | C3' | C2' | H3' | 125.9° | 123.9° |
| C4' | C3' | O3' | HO3' | 161.4° | 46.6° |
| C4' | C3' | C2' | C1' | 39.4° | 34.8° |
| C4' | C3' | C2' | H2' | 162.0° | 82.2° |
| C4' | C3' | C2' | H2'' | 80.7° | 155.2° |
| H4' | C4' | O4' | C1' | 128.7° | 126.0° |
| H4' | C4' | C3' | O3' | 38.6° | 28.3° |
| H4' | C4' | C3' | C2' | 153.7° | 143.6° |
| H4' | C4' | C3' | H3' | 82.5° | 92.6° |
| O4' | C1' | C2' | C3' | 33.5° | 32.7° |
| O4' | C1' | C2' | N9 | 115.6° | 121.8° |
| O4' | C1' | C2' | H1' | 126.1° | 117.9° |
| O4' | C1' | C2' | H2' | 156.1° | 84.0° |
| O4' | C1' | C2' | H2'' | 86.6° | 154.9° |
| O4' | C1' | N9 | H1' | 126.1° | 116.5° |
| O4' | C1' | N9 | C8 | 109.4° | 33.5° |
| O4' | C1' | N9 | C4 | 67.5° | 146.5° |
| O3' | C3' | C2' | H3' | 121.6° | 119.9° |
| O3' | C3' | C2' | C1' | 73.1° | 81.3° |
| O3' | C3' | C2' | H2' | 49.6° | 161.6° |
| O3' | C3' | C2' | H2'' | 166.9° | 39.1° |
| C2' | C3' | O3' | HO3' | 53.6° | 65.3° |
| C3' | C2' | C1' | H2' | 122.7° | 116.7° |
| C3' | C2' | C1' | H2'' | 120.0° | 122.2° |
| C3' | C2' | H2' | H2'' | 122.0° | 125.7° |
| C3' | C2' | C1' | N9 | 149.1° | 154.5° |
| C3' | C2' | C1' | H1' | 92.6° | 85.2° |
| H3' | C3' | O3' | HO3' | 71.7° | 171.2° |
| H3' | C3' | C2' | C1' | 165.3° | 158.8° |
| H3' | C3' | C2' | H2' | 72.0° | 41.7° |
| H3' | C3' | C2' | H2'' | 45.3° | 80.8° |
| C1' | C2' | H2' | H2'' | 121.9° | 122.9° |
| C2' | C1' | N9 | H1' | 116.3° | 123.5° |
| C2' | C1' | N9 | C8 | 132.9° | 86.6° |
| C2' | C1' | N9 | C4 | 50.2° | 93.5° |
| H2' | C2' | C1' | N9 | 88.3° | 37.8° |
| H2' | C2' | C1' | H1' | 30.1° | 158.1° |
| H2'' | C2' | C1' | N9 | 29.1° | 83.3° |
| H2'' | C2' | C1' | H1' | 147.4° | 37.0° |
| C1' | N9 | C8 | C4 | 177.4° | 180.0° |
| C1' | N9 | C8 | N7 | 177.7° | 179.9° |
| C1' | N9 | C8 | H8 | 2.2° | 0.1° |
| C1' | N9 | C4 | C5 | 177.0° | 179.9° |
| C1' | N9 | C4 | N3 | 2.1° | 0.0° |
| H1' | C1' | N9 | C8 | 16.6° | 150.0° |
| H1' | C1' | N9 | C4 | 166.5° | 30.0° |
| N9 | C8 | N7 | H8 | 180.0° | 180.0° |
| N9 | C8 | N7 | C5 | 0.7° | 0.0° |
| C8 | N9 | C4 | C5 | 0.3° | 0.1° |
| C8 | N9 | C4 | N3 | 179.4° | 179.9° |
| C4 | N9 | C8 | N7 | 0.3° | 0.0° |
| C4 | N9 | C8 | H8 | 179.7° | 180.0° |
| N9 | C4 | C5 | N7 | 0.7° | 0.1° |
| N9 | C4 | C5 | C6 | 178.9° | 179.9° |
| N9 | C4 | C5 | N3 | 179.1° | 179.9° |
| N9 | C4 | N3 | C2 | 179.3° | 179.9° |
| C8 | N7 | C5 | C6 | 178.6° | 179.9° |
| C8 | N7 | C5 | C4 | 0.9° | 0.1° |
| H8 | C8 | N7 | C5 | 179.3° | 180.0° |
| N7 | C5 | C6 | C4 | 179.5° | 180.0° |
| N7 | C5 | C6 | O6 | 0.7° | 0.0° |
| N7 | C5 | C6 | N1 | 179.9° | 180.0° |
| N7 | C5 | C4 | N3 | 179.8° | 180.0° |
| C5 | C6 | O6 | N1 | 179.4° | 180.0° |
| C5 | C6 | N1 | C2 | 0.5° | 0.0° |
| C5 | C6 | N1 | H1 | 179.5° | 179.9° |
| C6 | C5 | C4 | N3 | 0.2° | 0.1° |
| C4 | C5 | C6 | O6 | 178.8° | 180.0° |
| C4 | C5 | C6 | N1 | 0.6° | 0.0° |
| C5 | C4 | N3 | C2 | 0.4° | 0.1° |
| O6 | C6 | N1 | C2 | 178.9° | 180.0° |
| O6 | C6 | N1 | H1 | 1.1° | 0.1° |
| C6 | N1 | C2 | H1 | 180.0° | 180.0° |
| C6 | N1 | C2 | N3 | 0.1° | 0.0° |
| C6 | N1 | C2 | H2 | 179.9° | 179.9° |
| N1 | C2 | N3 | H2 | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 0.5° | 0.0° |
| H1 | N1 | C2 | N3 | 179.9° | 179.9° |
| H1 | N1 | C2 | H2 | 0.1° | 0.1° |
| H2 | C2 | N3 | C4 | 179.4° | 180.0° |
