XAX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2P | P | doub | 1.49Å | 1.51Å | |
| O3P | P | sing | 1.54Å | 1.50Å | |
| P | O1P | sing | 1.54Å | 1.51Å | |
| P | O4' | sing | 1.57Å | 1.64Å | |
| S2' | MO | sing | 2.27Å | 2.38Å | |
| O1 | MO | doub | 1.66Å | 2.06Å | |
| S1' | MO | sing | 2.27Å | 2.34Å | |
| MO | S3 | doub | 2.39Å | 2.28Å | |
| MO | O2 | sing | 1.66Å | 2.03Å | |
| N1 | C10 | sing | 1.36Å | 1.37Å | |
| N1 | C2 | doub | 1.34Å | 1.36Å | |
| N2 | C2 | sing | 1.33Å | 1.35Å | |
| C2 | N3 | sing | 1.37Å | 1.36Å | |
| N3 | C4 | sing | 1.39Å | 1.36Å | |
| C9 | C4 | sing | 1.44Å | 1.48Å | |
| C4 | O4 | doub | 1.23Å | 1.35Å | |
| C6 | N5 | sing | 1.46Å | 1.47Å | |
| C9 | N5 | sing | 1.39Å | 1.48Å | |
| C7 | C6 | sing | 1.56Å | 1.55Å | |
| C6 | C1' | sing | 1.53Å | 1.52Å | |
| N8 | C7 | sing | 1.46Å | 1.47Å | |
| O3' | C7 | sing | 1.44Å | 1.43Å | |
| N8 | C10 | sing | 1.36Å | 1.36Å | |
| C10 | C9 | doub | 1.41Å | 1.50Å | |
| C2' | C1' | doub | 1.35Å | 1.35Å | |
| C1' | S1' | sing | 1.67Å | 1.68Å | |
| C3' | C2' | sing | 1.52Å | 1.52Å | |
| C2' | S2' | sing | 1.68Å | 1.67Å | |
| O3' | C3' | sing | 1.44Å | 1.44Å | |
| C3' | C4' | sing | 1.53Å | 1.52Å | |
| O4' | C4' | sing | 1.44Å | 1.42Å | |
| N2 | HN2 | sing | 0.88Å | 1.00Å | |
| N2 | HN2A | sing | 0.88Å | 1.00Å | |
| O2 | HO2 | sing | 0.87Å | 0.95Å | |
| N3 | HN3 | sing | 0.88Å | 1.00Å | |
| N5 | HN5 | sing | 0.87Å | 1.00Å | |
| C6 | H6 | sing | 0.99Å | 1.10Å | |
| C7 | H7 | sing | 0.99Å | 1.10Å | |
| N8 | HN8 | sing | 0.88Å | 1.00Å | |
| O1P | HO1P | sing | 0.89Å | 0.95Å | |
| C3' | H3' | sing | 0.99Å | 1.10Å | |
| O3P | HO3P | sing | 0.89Å | 0.95Å | |
| C4' | H4' | sing | 0.98Å | 1.10Å | |
| C4' | H4'A | sing | 0.98Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2P | P | O3P | 115.5° | 111.8° |
| O2P | P | O1P | 116.2° | 112.4° |
| O2P | P | O4' | 103.4° | 113.0° |
| O3P | P | O1P | 115.0° | 105.9° |
| O3P | P | O4' | 98.5° | 105.7° |
| P | O3P | HO3P | 109.5° | 109.4° |
| O1P | P | O4' | 105.1° | 107.5° |
| P | O1P | HO1P | 109.5° | 109.6° |
| P | O4' | C4' | 121.9° | 123.0° |
| S2' | MO | O1 | 80.0° | 93.3° |
| S2' | MO | S1' | 78.5° | 83.0° |
| S2' | MO | S3 | 131.1° | 176.2° |
| S2' | MO | O2 | 113.8° | 89.1° |
| MO | S2' | C2' | 106.0° | 106.8° |
| O1 | MO | S1' | 135.2° | 176.2° |
| O1 | MO | S3 | 77.1° | 90.4° |
| O1 | MO | O2 | 113.3° | 91.3° |
| S1' | MO | S3 | 88.4° | 93.3° |
| S1' | MO | O2 | 111.3° | 89.3° |
| MO | S1' | C1' | 108.7° | 106.7° |
| S3 | MO | O2 | 114.9° | 91.9° |
| MO | O2 | HO2 | 109.5° | 111.8° |
| C10 | N1 | C2 | 119.8° | 118.0° |
| N1 | C10 | N8 | 121.4° | 116.7° |
| N1 | C10 | C9 | 121.6° | 122.3° |
| N1 | C2 | N2 | 120.5° | 119.1° |
| N1 | C2 | N3 | 122.0° | 123.0° |
| N2 | C2 | N3 | 117.4° | 117.9° |
| C2 | N2 | HN2 | 120.0° | 120.2° |
| C2 | N2 | HN2A | 120.0° | 120.5° |
| C2 | N3 | C4 | 122.9° | 122.4° |
| C2 | N3 | HN3 | 118.6° | 119.1° |
| N3 | C4 | C9 | 119.6° | 115.0° |
| N3 | C4 | O4 | 118.9° | 119.7° |
| C4 | N3 | HN3 | 118.6° | 118.4° |
| C9 | C4 | O4 | 121.0° | 125.3° |
| C4 | C9 | N5 | 122.7° | 121.4° |
| C4 | C9 | C10 | 113.1° | 119.2° |
| C6 | N5 | C9 | 120.3° | 122.6° |
| N5 | C6 | C7 | 112.0° | 112.3° |
| N5 | C6 | C1' | 113.4° | 110.6° |
| C6 | N5 | HN5 | 106.0° | 119.6° |
| N5 | C6 | H6 | 104.8° | 107.8° |
| N5 | C9 | C10 | 116.7° | 119.4° |
| C9 | N5 | HN5 | 106.0° | 117.8° |
| C7 | C6 | C1' | 109.3° | 112.2° |
| C6 | C7 | N8 | 111.3° | 112.6° |
| C6 | C7 | O3' | 108.7° | 111.3° |
| C7 | C6 | H6 | 109.3° | 106.3° |
| C6 | C7 | H7 | 108.6° | 108.9° |
| C6 | C1' | C2' | 121.1° | 122.7° |
| C6 | C1' | S1' | 120.2° | 116.6° |
| C1' | C6 | H6 | 107.8° | 107.3° |
| N8 | C7 | O3' | 108.9° | 107.4° |
| C7 | N8 | C10 | 124.0° | 122.6° |
| N8 | C7 | H7 | 108.4° | 107.8° |
| C7 | N8 | HN8 | 104.9° | 119.1° |
| C7 | O3' | C3' | 112.6° | 121.6° |
| O3' | C7 | H7 | 110.9° | 108.8° |
| N8 | C10 | C9 | 116.8° | 121.0° |
| C10 | N8 | HN8 | 104.9° | 118.3° |
| C2' | C1' | S1' | 118.7° | 120.7° |
| C1' | C2' | C3' | 121.0° | 121.7° |
| C1' | C2' | S2' | 119.5° | 118.3° |
| C3' | C2' | S2' | 119.5° | 120.0° |
| C2' | C3' | O3' | 113.8° | 113.8° |
| C2' | C3' | C4' | 110.5° | 113.2° |
| C2' | C3' | H3' | 105.0° | 107.5° |
| O3' | C3' | C4' | 107.3° | 104.7° |
| O3' | C3' | H3' | 108.4° | 109.2° |
| C3' | C4' | O4' | 111.0° | 110.4° |
| C4' | C3' | H3' | 111.9° | 108.3° |
| C3' | C4' | H4' | 109.0° | 109.1° |
| C3' | C4' | H4'A | 109.0° | 109.4° |
| O4' | C4' | H4' | 109.0° | 110.0° |
| O4' | C4' | H4'A | 109.0° | 109.8° |
| HN2 | N2 | HN2A | 120.0° | 119.3° |
| H4' | C4' | H4'A | 110.0° | 108.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2P | P | O3P | O1P | 139.6° | 122.8° |
| O2P | P | O3P | O4' | 109.3° | 123.3° |
| O2P | P | O1P | O4' | 113.6° | 124.9° |
| O2P | P | O4' | C4' | 76.9° | 51.7° |
| O2P | P | O1P | HO1P | 0.0° | 54.4° |
| O2P | P | O3P | HO3P | 0.0° | 60.3° |
| O3P | P | O1P | O4' | 107.1° | 112.7° |
| O3P | P | O4' | C4' | 164.2° | 174.3° |
| O3P | P | O1P | HO1P | 139.3° | 176.7° |
| O1P | P | O4' | C4' | 45.4° | 72.9° |
| O1P | P | O3P | HO3P | 139.6° | 62.5° |
| P | O4' | C4' | C3' | 84.9° | 155.1° |
| O4' | P | O1P | HO1P | 113.6° | 70.6° |
| O4' | P | O3P | HO3P | 109.3° | 176.4° |
| P | O4' | C4' | H4' | 35.1° | 84.5° |
| P | O4' | C4' | H4'A | 155.1° | 34.3° |
| S2' | MO | O1 | S1' | 62.2° | 10.0° |
| S2' | MO | O1 | S3 | 136.5° | 179.0° |
| S2' | MO | O1 | O2 | 111.7° | 89.1° |
| S2' | MO | S1' | S3 | 132.6° | 179.0° |
| S2' | MO | S1' | O2 | 111.3° | 89.1° |
| S2' | MO | S3 | O2 | 174.0° | 104.5° |
| MO | S2' | C2' | C1' | 27.3° | 19.2° |
| S2' | MO | S1' | C1' | 21.5° | 15.4° |
| MO | S2' | C2' | C3' | 153.2° | 161.2° |
| S2' | MO | O2 | HO2 | 180.0° | 147.5° |
| O1 | MO | S1' | S3 | 69.8° | 169.0° |
| O1 | MO | S1' | O2 | 174.0° | 99.2° |
| O1 | MO | S3 | O2 | 109.9° | 91.3° |
| O1 | MO | S1' | C1' | 84.3° | 25.5° |
| O1 | MO | S2' | C2' | 165.5° | 162.4° |
| O1 | MO | O2 | HO2 | 91.0° | 54.2° |
| S1' | MO | S3 | O2 | 112.8° | 89.4° |
| MO | S1' | C1' | C6 | 166.6° | 172.3° |
| MO | S1' | C1' | C2' | 13.9° | 9.6° |
| S1' | MO | S2' | C2' | 25.0° | 18.3° |
| S1' | MO | O2 | HO2 | 93.5° | 129.5° |
| S3 | MO | S1' | C1' | 154.2° | 165.5° |
| S3 | MO | S2' | C2' | 102.6° | 33.4° |
| S3 | MO | O2 | HO2 | 4.9° | 36.2° |
| O2 | MO | S1' | C1' | 89.7° | 73.7° |
| O2 | MO | S2' | C2' | 83.4° | 71.1° |
| C10 | N1 | C2 | N2 | 178.9° | 179.2° |
| C10 | N1 | C2 | N3 | 0.5° | 1.2° |
| N1 | C10 | C9 | C4 | 9.1° | 2.6° |
| N1 | C10 | C9 | N5 | 160.0° | 179.4° |
| N1 | C10 | N8 | C7 | 175.8° | 169.6° |
| N1 | C10 | N8 | C9 | 174.4° | 177.8° |
| N1 | C10 | N8 | HN8 | 64.1° | 10.5° |
| N1 | C2 | N2 | N3 | 178.5° | 179.6° |
| N1 | C2 | N3 | C4 | 1.6° | 0.7° |
| C2 | N1 | C10 | N8 | 177.9° | 180.0° |
| C2 | N1 | C10 | C9 | 3.7° | 2.2° |
| N1 | C2 | N2 | HN2 | 0.0° | 0.0° |
| N1 | C2 | N2 | HN2A | 180.0° | 179.9° |
| N1 | C2 | N3 | HN3 | 178.4° | 179.6° |
| N2 | C2 | N3 | C4 | 176.8° | 179.7° |
| C2 | N2 | HN2 | HN2A | 180.0° | 179.9° |
| N2 | C2 | N3 | HN3 | 3.2° | 0.0° |
| C2 | N3 | C4 | HN3 | 180.0° | 179.7° |
| C2 | N3 | C4 | C9 | 7.8° | 1.0° |
| C2 | N3 | C4 | O4 | 179.4° | 179.6° |
| N3 | C2 | N2 | HN2 | 178.5° | 179.6° |
| N3 | C2 | N2 | HN2A | 1.5° | 0.5° |
| N3 | C4 | C9 | O4 | 171.4° | 178.5° |
| N3 | C4 | C9 | N5 | 159.8° | 179.9° |
| N3 | C4 | C9 | C10 | 10.9° | 1.9° |
| C4 | C9 | N5 | C6 | 158.9° | 171.1° |
| C4 | C9 | N5 | C10 | 147.8° | 178.0° |
| C4 | C9 | C10 | N8 | 176.5° | 179.7° |
| C9 | C4 | N3 | HN3 | 172.2° | 179.3° |
| C4 | C9 | N5 | HN5 | 81.1° | 8.6° |
| O4 | C4 | C9 | N5 | 28.8° | 1.6° |
| O4 | C4 | C9 | C10 | 177.7° | 179.6° |
| O4 | C4 | N3 | HN3 | 0.6° | 0.7° |
| C6 | N5 | C9 | HN5 | 120.0° | 179.7° |
| N5 | C6 | C7 | C1' | 126.6° | 125.4° |
| N5 | C6 | C7 | H6 | 115.7° | 117.7° |
| N5 | C6 | C1' | H6 | 115.5° | 117.3° |
| N5 | C6 | C7 | N8 | 46.0° | 34.4° |
| N5 | C6 | C7 | O3' | 74.0° | 86.2° |
| C6 | N5 | C9 | C10 | 11.0° | 10.9° |
| N5 | C6 | C1' | C2' | 110.2° | 113.0° |
| N5 | C6 | C1' | S1' | 70.3° | 68.9° |
| N5 | C6 | C7 | H7 | 165.2° | 153.9° |
| C9 | N5 | C6 | C7 | 24.7° | 27.5° |
| C9 | N5 | C6 | C1' | 149.0° | 153.7° |
| N5 | C9 | C10 | N8 | 25.6° | 1.7° |
| C9 | N5 | C6 | H6 | 93.7° | 89.4° |
| C7 | C6 | C1' | H6 | 118.7° | 116.4° |
| C6 | C7 | N8 | O3' | 119.9° | 122.9° |
| C6 | C7 | N8 | H7 | 119.3° | 120.1° |
| C6 | C7 | O3' | H7 | 119.4° | 120.0° |
| C6 | C7 | N8 | C10 | 34.9° | 29.1° |
| C7 | C6 | C1' | C2' | 15.6° | 13.3° |
| C7 | C6 | C1' | S1' | 163.9° | 164.8° |
| C6 | C7 | O3' | C3' | 67.5° | 49.1° |
| C7 | C6 | N5 | HN5 | 95.3° | 152.8° |
| C6 | C7 | N8 | HN8 | 85.1° | 150.7° |
| C1' | C6 | C7 | N8 | 172.6° | 159.8° |
| C1' | C6 | C7 | O3' | 52.6° | 39.1° |
| C6 | C1' | C2' | S1' | 179.5° | 178.1° |
| C6 | C1' | C2' | C3' | 9.5° | 8.1° |
| C6 | C1' | C2' | S2' | 170.0° | 171.4° |
| C1' | C6 | N5 | HN5 | 29.0° | 26.6° |
| C1' | C6 | C7 | H7 | 68.2° | 80.8° |
| N8 | C7 | O3' | H7 | 119.2° | 116.4° |
| C7 | N8 | C10 | HN8 | 120.0° | 179.8° |
| C7 | N8 | C10 | C9 | 1.4° | 12.6° |
| N8 | C7 | O3' | C3' | 171.1° | 172.7° |
| N8 | C7 | C6 | H6 | 69.6° | 83.3° |
| O3' | C7 | N8 | C10 | 85.0° | 93.8° |
| C7 | O3' | C3' | C2' | 41.3° | 27.9° |
| C7 | O3' | C3' | C4' | 163.9° | 152.0° |
| O3' | C7 | C6 | H6 | 170.4° | 156.1° |
| O3' | C7 | N8 | HN8 | 155.0° | 86.4° |
| C7 | O3' | C3' | H3' | 75.2° | 92.2° |
| C10 | N8 | C7 | H7 | 154.3° | 149.2° |
| C10 | C9 | N5 | HN5 | 131.0° | 169.3° |
| C9 | C10 | N8 | HN8 | 121.4° | 167.3° |
| C1' | C2' | C3' | S2' | 179.5° | 179.6° |
| C1' | C2' | C3' | O3' | 1.9° | 2.7° |
| C1' | C2' | C3' | C4' | 122.7° | 116.6° |
| C2' | C1' | C6 | H6 | 134.3° | 129.7° |
| C1' | C2' | C3' | H3' | 116.5° | 123.8° |
| S1' | C1' | C2' | C3' | 171.0° | 173.8° |
| S1' | C1' | C2' | S2' | 9.6° | 6.6° |
| S1' | C1' | C6 | H6 | 45.2° | 48.4° |
| C2' | C3' | O3' | C4' | 122.6° | 124.1° |
| C2' | C3' | O3' | H3' | 116.5° | 120.1° |
| C2' | C3' | C4' | H3' | 116.6° | 119.1° |
| C2' | C3' | C4' | O4' | 172.9° | 174.4° |
| C2' | C3' | C4' | H4' | 67.2° | 64.6° |
| C2' | C3' | C4' | H4'A | 52.9° | 53.4° |
| S2' | C2' | C3' | O3' | 178.6° | 176.8° |
| S2' | C2' | C3' | C4' | 57.8° | 63.8° |
| S2' | C2' | C3' | H3' | 63.0° | 55.8° |
| O3' | C3' | C4' | H3' | 118.7° | 116.5° |
| O3' | C3' | C4' | O4' | 48.2° | 61.1° |
| C3' | O3' | C7 | H7 | 51.9° | 70.9° |
| O3' | C3' | C4' | H4' | 168.2° | 59.9° |
| O3' | C3' | C4' | H4'A | 71.8° | 177.8° |
| C3' | C4' | O4' | H4' | 120.0° | 120.4° |
| C3' | C4' | O4' | H4'A | 120.0° | 120.8° |
| C3' | C4' | H4' | H4'A | 119.4° | 118.8° |
| O4' | C4' | C3' | H3' | 70.5° | 55.3° |
| O4' | C4' | H4' | H4'A | 119.4° | 119.9° |
| HN5 | N5 | C6 | H6 | 146.3° | 90.4° |
| H6 | C6 | C7 | H7 | 49.6° | 36.2° |
| H7 | C7 | N8 | HN8 | 34.2° | 30.6° |
| H3' | C3' | C4' | H4' | 49.5° | 176.3° |
| H3' | C3' | C4' | H4'A | 169.5° | 65.7° |
