SSI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2P | P | doub | 1.48Å | 1.52Å | |
| O3P | P | sing | 1.61Å | 1.51Å | |
| P | O1P | sing | 1.61Å | 1.51Å | |
| P | C6' | sing | 1.82Å | 1.80Å | |
| C6 | N1 | sing | 1.35Å | 1.35Å | |
| N1 | C2 | sing | 1.36Å | 1.37Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C2 | N3 | doub | 1.30Å | 1.34Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | N3 | sing | 1.35Å | 1.36Å | |
| C5 | C4 | doub | 1.40Å | 1.46Å | Aromatic |
| C4 | C9 | sing | 1.41Å | 1.48Å | Aromatic |
| C6 | C5 | sing | 1.41Å | 1.47Å | |
| N7 | C5 | sing | 1.37Å | 1.35Å | Aromatic |
| O6 | C6 | doub | 1.22Å | 1.25Å | |
| N7 | C8 | sing | 1.36Å | 1.35Å | Aromatic |
| C8 | C9 | doub | 1.35Å | 1.39Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | C1' | sing | 1.51Å | 1.50Å | |
| C1' | N4' | sing | 1.47Å | 1.43Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C1' | H1'A | sing | 1.09Å | 1.10Å | |
| O1P | HO1P | sing | 0.97Å | 0.95Å | |
| C4' | C3' | sing | 1.53Å | 1.54Å | |
| C3' | O3' | sing | 1.43Å | 1.41Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| C3' | H3'A | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| O3P | HO3P | sing | 0.97Å | 0.95Å | |
| C5' | C4' | sing | 1.53Å | 1.52Å | |
| N4' | C4' | sing | 1.47Å | 1.45Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| N4' | HN4' | sing | 1.01Å | 1.00Å | |
| C6' | C5' | sing | 1.53Å | 1.53Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'A | sing | 1.09Å | 1.10Å | |
| C6' | H6' | sing | 1.09Å | 1.10Å | |
| C6' | H6'A | sing | 1.09Å | 1.10Å | |
| N7 | HN7 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2P | P | O3P | 111.1° | 109.4° |
| O2P | P | O1P | 111.8° | 109.5° |
| O2P | P | C6' | 107.0° | 109.5° |
| O3P | P | O1P | 118.4° | 109.5° |
| O3P | P | C6' | 104.0° | 109.5° |
| P | O3P | HO3P | 109.5° | 114.0° |
| O1P | P | C6' | 103.3° | 109.5° |
| P | O1P | HO1P | 109.5° | 114.0° |
| P | C6' | C5' | 110.4° | 109.5° |
| P | C6' | H6' | 109.2° | 109.5° |
| P | C6' | H6'A | 109.2° | 109.5° |
| C6 | N1 | C2 | 124.5° | 120.5° |
| C6 | N1 | HN1 | 117.7° | 119.8° |
| N1 | C6 | C5 | 117.1° | 118.4° |
| N1 | C6 | O6 | 122.6° | 120.8° |
| C2 | N1 | HN1 | 117.8° | 119.7° |
| N1 | C2 | N3 | 122.0° | 122.1° |
| N1 | C2 | H2 | 119.0° | 118.9° |
| N3 | C2 | H2 | 119.0° | 118.9° |
| C2 | N3 | C4 | 118.2° | 121.0° |
| N3 | C4 | C5 | 123.2° | 119.4° |
| N3 | C4 | C9 | 132.0° | 134.0° |
| C5 | C4 | C9 | 104.8° | 106.6° |
| C4 | C5 | C6 | 114.9° | 118.5° |
| C4 | C5 | N7 | 108.1° | 107.4° |
| C4 | C9 | C8 | 105.1° | 107.8° |
| C4 | C9 | C1' | 128.2° | 126.1° |
| C6 | C5 | N7 | 136.9° | 134.1° |
| C5 | C6 | O6 | 120.3° | 120.8° |
| C5 | N7 | C8 | 110.4° | 108.8° |
| C5 | N7 | HN7 | 124.8° | 125.7° |
| N7 | C8 | C9 | 111.6° | 109.4° |
| N7 | C8 | H8 | 124.2° | 125.3° |
| C8 | N7 | HN7 | 124.8° | 125.6° |
| C9 | C8 | H8 | 124.2° | 125.3° |
| C8 | C9 | C1' | 126.6° | 126.1° |
| C9 | C1' | N4' | 114.0° | 109.4° |
| C9 | C1' | H1' | 108.0° | 109.6° |
| C9 | C1' | H1'A | 108.0° | 109.5° |
| N4' | C1' | H1' | 108.0° | 109.5° |
| N4' | C1' | H1'A | 108.0° | 109.4° |
| C1' | N4' | C4' | 121.5° | 111.0° |
| C1' | N4' | HN4' | 105.6° | 111.0° |
| H1' | C1' | H1'A | 110.9° | 109.4° |
| C4' | C3' | O3' | 102.6° | 109.5° |
| C4' | C3' | H3' | 111.8° | 109.5° |
| C4' | C3' | H3'A | 111.8° | 109.4° |
| C3' | C4' | C5' | 109.6° | 109.5° |
| C3' | C4' | N4' | 108.0° | 109.5° |
| C3' | C4' | H4' | 111.5° | 109.5° |
| O3' | C3' | H3' | 111.8° | 109.5° |
| O3' | C3' | H3'A | 111.8° | 109.5° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| H3' | C3' | H3'A | 107.0° | 109.5° |
| C5' | C4' | N4' | 112.8° | 109.4° |
| C5' | C4' | H4' | 106.6° | 109.5° |
| C4' | C5' | C6' | 109.9° | 109.5° |
| C4' | C5' | H5' | 109.4° | 109.5° |
| C4' | C5' | H5'A | 109.3° | 109.5° |
| N4' | C4' | H4' | 108.3° | 109.5° |
| C4' | N4' | HN4' | 105.6° | 111.0° |
| C6' | C5' | H5' | 109.3° | 109.4° |
| C6' | C5' | H5'A | 109.4° | 109.5° |
| C5' | C6' | H6' | 109.2° | 109.5° |
| C5' | C6' | H6'A | 109.2° | 109.4° |
| H5' | C5' | H5'A | 109.6° | 109.4° |
| H6' | C6' | H6'A | 109.8° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2P | P | O3P | O1P | 131.3° | 120.0° |
| O2P | P | O3P | C6' | 114.8° | 120.0° |
| O2P | P | O1P | C6' | 114.7° | 120.0° |
| O2P | P | O1P | HO1P | 0.0° | 60.0° |
| O2P | P | O3P | HO3P | 0.0° | 180.0° |
| O2P | P | C6' | C5' | 51.0° | 54.9° |
| O2P | P | C6' | H6' | 69.0° | 175.0° |
| O2P | P | C6' | H6'A | 171.0° | 65.1° |
| O3P | P | O1P | C6' | 114.3° | 120.0° |
| O3P | P | O1P | HO1P | 131.0° | 60.0° |
| O3P | P | C6' | C5' | 168.6° | 65.0° |
| O3P | P | C6' | H6' | 48.6° | 55.1° |
| O3P | P | C6' | H6'A | 71.4° | 175.0° |
| O1P | P | O3P | HO3P | 131.3° | 60.0° |
| O1P | P | C6' | C5' | 67.1° | 175.0° |
| O1P | P | C6' | H6' | 172.9° | 64.9° |
| O1P | P | C6' | H6'A | 52.9° | 55.0° |
| C6' | P | O1P | HO1P | 114.7° | 180.0° |
| C6' | P | O3P | HO3P | 114.8° | 60.1° |
| P | C6' | C5' | C4' | 178.2° | 180.0° |
| P | C6' | C5' | H6' | 120.0° | 120.1° |
| P | C6' | C5' | H6'A | 120.0° | 120.0° |
| P | C6' | C5' | H5' | 58.2° | 60.0° |
| P | C6' | C5' | H5'A | 61.7° | 59.9° |
| P | C6' | H6' | H6'A | 119.6° | 120.0° |
| C6 | N1 | C2 | HN1 | 180.0° | 179.7° |
| C6 | N1 | C2 | N3 | 0.8° | 0.3° |
| C6 | N1 | C2 | H2 | 179.2° | 179.7° |
| N1 | C6 | C5 | C4 | 0.4° | 0.6° |
| N1 | C6 | C5 | O6 | 179.2° | 179.4° |
| N1 | C6 | C5 | N7 | 179.2° | 179.8° |
| N1 | C2 | N3 | H2 | 180.0° | 179.9° |
| N1 | C2 | N3 | C4 | 0.1° | 0.1° |
| C2 | N1 | C6 | C5 | 0.5° | 0.6° |
| C2 | N1 | C6 | O6 | 178.7° | 180.0° |
| HN1 | N1 | C2 | N3 | 179.2° | 180.0° |
| HN1 | N1 | C2 | H2 | 0.7° | 0.0° |
| HN1 | N1 | C6 | C5 | 179.5° | 179.7° |
| HN1 | N1 | C6 | O6 | 1.2° | 0.3° |
| C2 | N3 | C4 | C5 | 0.9° | 0.1° |
| C2 | N3 | C4 | C9 | 179.0° | 180.0° |
| H2 | C2 | N3 | C4 | 180.0° | 180.0° |
| N3 | C4 | C5 | C9 | 178.5° | 179.9° |
| N3 | C4 | C5 | C6 | 1.1° | 0.4° |
| N3 | C4 | C5 | N7 | 178.6° | 180.0° |
| N3 | C4 | C9 | C8 | 178.1° | 179.9° |
| N3 | C4 | C9 | C1' | 1.1° | 0.1° |
| C4 | C5 | C6 | N7 | 179.6° | 179.6° |
| C4 | C5 | C6 | O6 | 179.7° | 180.0° |
| C4 | C5 | N7 | C8 | 0.3° | 0.1° |
| C5 | C4 | C9 | C8 | 0.2° | 0.0° |
| C5 | C4 | C9 | C1' | 177.2° | 180.0° |
| C4 | C5 | N7 | HN7 | 179.7° | 180.0° |
| C9 | C4 | C5 | C6 | 179.6° | 179.7° |
| C9 | C4 | C5 | N7 | 0.1° | 0.1° |
| C4 | C9 | C8 | N7 | 0.4° | 0.1° |
| C4 | C9 | C8 | C1' | 177.1° | 180.0° |
| C4 | C9 | C8 | H8 | 179.6° | 180.0° |
| C4 | C9 | C1' | N4' | 94.7° | 80.0° |
| C4 | C9 | C1' | H1' | 145.3° | 160.0° |
| C4 | C9 | C1' | H1'A | 25.3° | 39.9° |
| C6 | C5 | N7 | C8 | 179.3° | 179.7° |
| C6 | C5 | N7 | HN7 | 0.7° | 0.4° |
| N7 | C5 | C6 | O6 | 0.0° | 0.4° |
| C5 | N7 | C8 | HN7 | 180.0° | 179.9° |
| C5 | N7 | C8 | C9 | 0.5° | 0.1° |
| C5 | N7 | C8 | H8 | 179.6° | 180.0° |
| N7 | C8 | C9 | H8 | 180.0° | 179.9° |
| N7 | C8 | C9 | C1' | 177.5° | 180.0° |
| C8 | C9 | C1' | N4' | 88.8° | 100.1° |
| C8 | C9 | C1' | H1' | 31.2° | 20.0° |
| C8 | C9 | C1' | H1'A | 151.2° | 140.0° |
| C9 | C8 | N7 | HN7 | 179.6° | 180.0° |
| H8 | C8 | C9 | C1' | 2.5° | 0.1° |
| H8 | C8 | N7 | HN7 | 0.4° | 0.1° |
| C9 | C1' | N4' | H1' | 120.0° | 120.1° |
| C9 | C1' | N4' | H1'A | 120.0° | 120.0° |
| C9 | C1' | H1' | H1'A | 118.1° | 120.1° |
| C9 | C1' | N4' | C4' | 73.3° | 180.0° |
| C9 | C1' | N4' | HN4' | 166.7° | 56.0° |
| N4' | C1' | H1' | H1'A | 118.2° | 119.9° |
| C1' | N4' | C4' | C3' | 147.8° | 85.0° |
| C1' | N4' | C4' | C5' | 26.6° | 155.0° |
| C1' | N4' | C4' | HN4' | 120.0° | 124.0° |
| C1' | N4' | C4' | H4' | 91.2° | 35.1° |
| H1' | C1' | N4' | C4' | 46.7° | 59.9° |
| H1' | C1' | N4' | HN4' | 73.3° | 176.1° |
| H1'A | C1' | N4' | C4' | 166.7° | 60.0° |
| H1'A | C1' | N4' | HN4' | 46.8° | 64.0° |
| C4' | C3' | O3' | H3' | 120.0° | 120.0° |
| C4' | C3' | O3' | H3'A | 120.0° | 120.0° |
| C4' | C3' | H3' | H3'A | 122.8° | 120.0° |
| C4' | C3' | O3' | HO3' | 180.0° | 180.0° |
| C3' | C4' | C5' | N4' | 120.3° | 120.0° |
| C3' | C4' | C5' | H4' | 120.9° | 120.0° |
| C3' | C4' | N4' | H4' | 120.9° | 120.0° |
| C3' | C4' | N4' | HN4' | 27.9° | 151.0° |
| C3' | C4' | C5' | C6' | 80.2° | 175.0° |
| C3' | C4' | C5' | H5' | 159.8° | 65.0° |
| C3' | C4' | C5' | H5'A | 39.8° | 55.0° |
| O3' | C3' | H3' | H3'A | 122.8° | 120.0° |
| O3' | C3' | C4' | C5' | 171.6° | 55.0° |
| O3' | C3' | C4' | N4' | 65.1° | 64.9° |
| O3' | C3' | C4' | H4' | 53.8° | 175.0° |
| H3' | C3' | O3' | HO3' | 60.0° | 59.9° |
| H3' | C3' | C4' | C5' | 51.6° | 65.0° |
| H3' | C3' | C4' | N4' | 174.9° | 175.0° |
| H3' | C3' | C4' | H4' | 66.2° | 55.0° |
| H3'A | C3' | O3' | HO3' | 60.0° | 60.0° |
| H3'A | C3' | C4' | C5' | 68.4° | 175.0° |
| H3'A | C3' | C4' | N4' | 54.9° | 55.0° |
| H3'A | C3' | C4' | H4' | 173.8° | 65.0° |
| C5' | C4' | N4' | H4' | 117.8° | 120.0° |
| C5' | C4' | N4' | HN4' | 93.4° | 31.0° |
| C4' | C5' | C6' | H5' | 120.0° | 120.0° |
| C4' | C5' | C6' | H5'A | 120.0° | 120.1° |
| C4' | C5' | H5' | H5'A | 119.8° | 120.0° |
| C4' | C5' | C6' | H6' | 58.2° | 59.9° |
| C4' | C5' | C6' | H6'A | 61.8° | 59.9° |
| N4' | C4' | C5' | C6' | 159.4° | 65.0° |
| N4' | C4' | C5' | H5' | 39.4° | 55.0° |
| N4' | C4' | C5' | H5'A | 80.5° | 175.0° |
| H4' | C4' | N4' | HN4' | 148.8° | 88.9° |
| H4' | C4' | C5' | C6' | 40.7° | 55.0° |
| H4' | C4' | C5' | H5' | 79.3° | 175.0° |
| H4' | C4' | C5' | H5'A | 160.7° | 65.0° |
| C6' | C5' | H5' | H5'A | 119.8° | 120.0° |
| C5' | C6' | H6' | H6'A | 119.6° | 119.9° |
| H5' | C5' | C6' | H6' | 61.8° | 60.1° |
| H5' | C5' | C6' | H6'A | 178.2° | 179.9° |
| H5'A | C5' | C6' | H6' | 178.3° | 180.0° |
| H5'A | C5' | C6' | H6'A | 58.2° | 60.1° |
