XAX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2P | P | doub | 1.48Å | 1.51Å | |
| O3P | P | sing | 1.61Å | 1.50Å | |
| P | O1P | sing | 1.61Å | 1.51Å | |
| P | O4' | sing | 1.61Å | 1.64Å | |
| S2' | MO | sing | 2.40Å | 2.38Å | |
| O1 | MO | doub | 1.74Å | 2.06Å | |
| S1' | MO | sing | 2.40Å | 2.34Å | |
| MO | S3 | doub | 2.14Å | 2.28Å | |
| MO | O2 | sing | 2.00Å | 2.03Å | |
| N1 | C10 | sing | 1.34Å | 1.37Å | |
| N1 | C2 | doub | 1.32Å | 1.36Å | |
| N2 | C2 | sing | 1.37Å | 1.35Å | |
| C2 | N3 | sing | 1.36Å | 1.36Å | |
| N3 | C4 | sing | 1.35Å | 1.36Å | |
| C9 | C4 | sing | 1.40Å | 1.48Å | |
| C4 | O4 | doub | 1.22Å | 1.35Å | |
| C6 | N5 | sing | 1.47Å | 1.47Å | |
| C9 | N5 | sing | 1.41Å | 1.48Å | |
| C7 | C6 | sing | 1.53Å | 1.55Å | |
| C6 | C1' | sing | 1.54Å | 1.52Å | |
| N8 | C7 | sing | 1.47Å | 1.47Å | |
| O3' | C7 | sing | 1.43Å | 1.43Å | |
| N8 | C10 | sing | 1.38Å | 1.36Å | |
| C10 | C9 | doub | 1.39Å | 1.50Å | |
| C2' | C1' | doub | 1.31Å | 1.35Å | |
| C1' | S1' | sing | 1.76Å | 1.68Å | |
| C3' | C2' | sing | 1.54Å | 1.52Å | |
| C2' | S2' | sing | 1.76Å | 1.67Å | |
| O3' | C3' | sing | 1.42Å | 1.44Å | |
| C3' | C4' | sing | 1.53Å | 1.52Å | |
| O4' | C4' | sing | 1.43Å | 1.42Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| N2 | HN2A | sing | 0.97Å | 1.00Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| N5 | HN5 | sing | 0.97Å | 1.00Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| N8 | HN8 | sing | 0.97Å | 1.00Å | |
| O1P | HO1P | sing | 0.97Å | 0.95Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3P | HO3P | sing | 0.97Å | 0.95Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C4' | H4'A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2P | P | O3P | 115.5° | 109.5° |
| O2P | P | O1P | 116.2° | 109.5° |
| O2P | P | O4' | 103.4° | 109.5° |
| O3P | P | O1P | 115.0° | 109.4° |
| O3P | P | O4' | 98.5° | 109.5° |
| P | O3P | HO3P | 109.5° | 114.0° |
| O1P | P | O4' | 105.1° | 109.5° |
| P | O1P | HO1P | 109.5° | 114.0° |
| P | O4' | C4' | 121.9° | 123.0° |
| S2' | MO | O1 | 80.0° | 92.3° |
| S2' | MO | S1' | 78.5° | 78.7° |
| S2' | MO | S3 | 131.1° | 119.7° |
| S2' | MO | O2 | 113.8° | 119.7° |
| MO | S2' | C2' | 106.0° | 103.6° |
| O1 | MO | S1' | 135.2° | 171.1° |
| O1 | MO | S3 | 77.1° | 92.7° |
| O1 | MO | O2 | 113.3° | 93.1° |
| S1' | MO | S3 | 88.4° | 91.5° |
| S1' | MO | O2 | 111.3° | 91.6° |
| MO | S1' | C1' | 108.7° | 103.5° |
| S3 | MO | O2 | 114.9° | 119.9° |
| MO | O2 | HO2 | 109.5° | 114.0° |
| C10 | N1 | C2 | 119.8° | 121.2° |
| N1 | C10 | N8 | 121.4° | 120.6° |
| N1 | C10 | C9 | 121.6° | 119.5° |
| N1 | C2 | N2 | 120.5° | 119.3° |
| N1 | C2 | N3 | 122.0° | 121.3° |
| N2 | C2 | N3 | 117.4° | 119.4° |
| C2 | N2 | HN2 | 120.0° | 120.0° |
| C2 | N2 | HN2A | 120.0° | 120.0° |
| C2 | N3 | C4 | 122.9° | 120.1° |
| C2 | N3 | HN3 | 118.6° | 119.8° |
| N3 | C4 | C9 | 119.6° | 118.8° |
| N3 | C4 | O4 | 118.9° | 120.6° |
| C4 | N3 | HN3 | 118.6° | 120.1° |
| C9 | C4 | O4 | 121.0° | 120.6° |
| C4 | C9 | N5 | 122.7° | 121.0° |
| C4 | C9 | C10 | 113.1° | 118.9° |
| C6 | N5 | C9 | 120.3° | 119.0° |
| N5 | C6 | C7 | 112.0° | 108.9° |
| N5 | C6 | C1' | 113.4° | 107.2° |
| C6 | N5 | HN5 | 106.0° | 120.6° |
| N5 | C6 | H6 | 104.8° | 110.5° |
| N5 | C9 | C10 | 116.7° | 120.1° |
| C9 | N5 | HN5 | 106.0° | 120.5° |
| C7 | C6 | C1' | 109.3° | 109.2° |
| C6 | C7 | N8 | 111.3° | 109.7° |
| C6 | C7 | O3' | 108.7° | 107.9° |
| C7 | C6 | H6 | 109.3° | 110.7° |
| C6 | C7 | H7 | 108.6° | 110.0° |
| C6 | C1' | C2' | 121.1° | 121.7° |
| C6 | C1' | S1' | 120.2° | 118.8° |
| C1' | C6 | H6 | 107.8° | 110.3° |
| N8 | C7 | O3' | 108.9° | 109.6° |
| C7 | N8 | C10 | 124.0° | 119.8° |
| N8 | C7 | H7 | 108.4° | 109.8° |
| C7 | N8 | HN8 | 104.9° | 120.1° |
| C7 | O3' | C3' | 112.6° | 113.1° |
| O3' | C7 | H7 | 110.9° | 109.8° |
| N8 | C10 | C9 | 116.8° | 119.9° |
| C10 | N8 | HN8 | 104.9° | 120.1° |
| C2' | C1' | S1' | 118.7° | 119.5° |
| C1' | C2' | C3' | 121.0° | 122.0° |
| C1' | C2' | S2' | 119.5° | 119.4° |
| C3' | C2' | S2' | 119.5° | 118.6° |
| C2' | C3' | O3' | 113.8° | 110.3° |
| C2' | C3' | C4' | 110.5° | 109.3° |
| C2' | C3' | H3' | 105.0° | 109.3° |
| O3' | C3' | C4' | 107.3° | 109.3° |
| O3' | C3' | H3' | 108.4° | 109.4° |
| C3' | C4' | O4' | 111.0° | 109.5° |
| C4' | C3' | H3' | 111.9° | 109.2° |
| C3' | C4' | H4' | 109.0° | 109.5° |
| C3' | C4' | H4'A | 109.0° | 109.4° |
| O4' | C4' | H4' | 109.0° | 109.5° |
| O4' | C4' | H4'A | 109.0° | 109.4° |
| HN2 | N2 | HN2A | 120.0° | 120.0° |
| H4' | C4' | H4'A | 110.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2P | P | O3P | O1P | 139.6° | 120.0° |
| O2P | P | O3P | O4' | 109.3° | 120.0° |
| O2P | P | O1P | O4' | 113.6° | 120.0° |
| O2P | P | O4' | C4' | 76.9° | 55.0° |
| O2P | P | O1P | HO1P | 0.0° | 180.0° |
| O2P | P | O3P | HO3P | 0.0° | 59.9° |
| O3P | P | O1P | O4' | 107.1° | 120.0° |
| O3P | P | O4' | C4' | 164.2° | 175.0° |
| O3P | P | O1P | HO1P | 139.3° | 60.1° |
| O1P | P | O4' | C4' | 45.4° | 65.0° |
| O1P | P | O3P | HO3P | 139.6° | 60.0° |
| P | O4' | C4' | C3' | 84.9° | 180.0° |
| O4' | P | O1P | HO1P | 113.6° | 59.9° |
| O4' | P | O3P | HO3P | 109.3° | 180.0° |
| P | O4' | C4' | H4' | 35.1° | 59.9° |
| P | O4' | C4' | H4'A | 155.1° | 60.1° |
| S2' | MO | O1 | S1' | 62.2° | 1.7° |
| S2' | MO | O1 | S3 | 136.5° | 119.9° |
| S2' | MO | O1 | O2 | 111.7° | 119.9° |
| S2' | MO | S1' | S3 | 132.6° | 120.0° |
| S2' | MO | S1' | O2 | 111.3° | 120.0° |
| S2' | MO | S3 | O2 | 174.0° | 170.7° |
| MO | S2' | C2' | C1' | 27.3° | 27.5° |
| S2' | MO | S1' | C1' | 21.5° | 31.6° |
| MO | S2' | C2' | C3' | 153.2° | 152.5° |
| S2' | MO | O2 | HO2 | 180.0° | 99.3° |
| O1 | MO | S1' | S3 | 69.8° | 118.2° |
| O1 | MO | S1' | O2 | 174.0° | 121.7° |
| O1 | MO | S3 | O2 | 109.9° | 95.1° |
| O1 | MO | S1' | C1' | 84.3° | 33.4° |
| O1 | MO | S2' | C2' | 165.5° | 148.8° |
| O1 | MO | O2 | HO2 | 91.0° | 4.9° |
| S1' | MO | S3 | O2 | 112.8° | 92.8° |
| MO | S1' | C1' | C6 | 166.6° | 152.2° |
| MO | S1' | C1' | C2' | 13.9° | 27.9° |
| S1' | MO | S2' | C2' | 25.0° | 31.5° |
| S1' | MO | O2 | HO2 | 93.5° | 177.3° |
| S3 | MO | S1' | C1' | 154.2° | 151.6° |
| S3 | MO | S2' | C2' | 102.6° | 116.8° |
| S3 | MO | O2 | HO2 | 4.9° | 90.0° |
| O2 | MO | S1' | C1' | 89.7° | 88.4° |
| O2 | MO | S2' | C2' | 83.4° | 53.9° |
| C10 | N1 | C2 | N2 | 178.9° | 179.6° |
| C10 | N1 | C2 | N3 | 0.5° | 0.4° |
| N1 | C10 | C9 | C4 | 9.1° | 2.9° |
| N1 | C10 | C9 | N5 | 160.0° | 176.7° |
| N1 | C10 | N8 | C7 | 175.8° | 167.5° |
| N1 | C10 | N8 | C9 | 174.4° | 179.9° |
| N1 | C10 | N8 | HN8 | 64.1° | 12.5° |
| N1 | C2 | N2 | N3 | 178.5° | 180.0° |
| N1 | C2 | N3 | C4 | 1.6° | 2.0° |
| C2 | N1 | C10 | N8 | 177.9° | 177.0° |
| C2 | N1 | C10 | C9 | 3.7° | 2.9° |
| N1 | C2 | N2 | HN2 | 0.0° | 0.0° |
| N1 | C2 | N2 | HN2A | 180.0° | 180.0° |
| N1 | C2 | N3 | HN3 | 178.4° | 177.9° |
| N2 | C2 | N3 | C4 | 176.8° | 178.0° |
| C2 | N2 | HN2 | HN2A | 180.0° | 180.0° |
| N2 | C2 | N3 | HN3 | 3.2° | 2.2° |
| C2 | N3 | C4 | HN3 | 180.0° | 179.9° |
| C2 | N3 | C4 | C9 | 7.8° | 1.9° |
| C2 | N3 | C4 | O4 | 179.4° | 178.4° |
| N3 | C2 | N2 | HN2 | 178.5° | 180.0° |
| N3 | C2 | N2 | HN2A | 1.5° | 0.0° |
| N3 | C4 | C9 | O4 | 171.4° | 179.8° |
| N3 | C4 | C9 | N5 | 159.8° | 179.0° |
| N3 | C4 | C9 | C10 | 10.9° | 0.6° |
| C4 | C9 | N5 | C6 | 158.9° | 166.3° |
| C4 | C9 | N5 | C10 | 147.8° | 179.6° |
| C4 | C9 | C10 | N8 | 176.5° | 177.0° |
| C9 | C4 | N3 | HN3 | 172.2° | 178.0° |
| C4 | C9 | N5 | HN5 | 81.1° | 12.3° |
| O4 | C4 | C9 | N5 | 28.8° | 1.2° |
| O4 | C4 | C9 | C10 | 177.7° | 179.2° |
| O4 | C4 | N3 | HN3 | 0.6° | 1.8° |
| C6 | N5 | C9 | HN5 | 120.0° | 178.6° |
| N5 | C6 | C7 | C1' | 126.6° | 116.7° |
| N5 | C6 | C7 | H6 | 115.7° | 121.7° |
| N5 | C6 | C1' | H6 | 115.5° | 120.4° |
| N5 | C6 | C7 | N8 | 46.0° | 53.2° |
| N5 | C6 | C7 | O3' | 74.0° | 66.1° |
| C6 | N5 | C9 | C10 | 11.0° | 13.3° |
| N5 | C6 | C1' | C2' | 110.2° | 99.5° |
| N5 | C6 | C1' | S1' | 70.3° | 80.6° |
| N5 | C6 | C7 | H7 | 165.2° | 174.1° |
| C9 | N5 | C6 | C7 | 24.7° | 41.6° |
| C9 | N5 | C6 | C1' | 149.0° | 159.7° |
| N5 | C9 | C10 | N8 | 25.6° | 3.4° |
| C9 | N5 | C6 | H6 | 93.7° | 80.1° |
| C7 | C6 | C1' | H6 | 118.7° | 121.8° |
| C6 | C7 | N8 | O3' | 119.9° | 118.3° |
| C6 | C7 | N8 | H7 | 119.3° | 121.0° |
| C6 | C7 | O3' | H7 | 119.4° | 119.9° |
| C6 | C7 | N8 | C10 | 34.9° | 41.2° |
| C7 | C6 | C1' | C2' | 15.6° | 18.3° |
| C7 | C6 | C1' | S1' | 163.9° | 161.6° |
| C6 | C7 | O3' | C3' | 67.5° | 70.8° |
| C7 | C6 | N5 | HN5 | 95.3° | 139.8° |
| C6 | C7 | N8 | HN8 | 85.1° | 138.8° |
| C1' | C6 | C7 | N8 | 172.6° | 170.0° |
| C1' | C6 | C7 | O3' | 52.6° | 50.6° |
| C6 | C1' | C2' | S1' | 179.5° | 179.9° |
| C6 | C1' | C2' | C3' | 9.5° | 0.2° |
| C6 | C1' | C2' | S2' | 170.0° | 179.8° |
| C1' | C6 | N5 | HN5 | 29.0° | 21.8° |
| C1' | C6 | C7 | H7 | 68.2° | 69.2° |
| N8 | C7 | O3' | H7 | 119.2° | 120.7° |
| C7 | N8 | C10 | HN8 | 120.0° | 180.0° |
| C7 | N8 | C10 | C9 | 1.4° | 12.4° |
| N8 | C7 | O3' | C3' | 171.1° | 169.8° |
| N8 | C7 | C6 | H6 | 69.6° | 68.5° |
| O3' | C7 | N8 | C10 | 85.0° | 77.1° |
| C7 | O3' | C3' | C2' | 41.3° | 50.4° |
| C7 | O3' | C3' | C4' | 163.9° | 170.6° |
| O3' | C7 | C6 | H6 | 170.4° | 172.2° |
| O3' | C7 | N8 | HN8 | 155.0° | 102.9° |
| C7 | O3' | C3' | H3' | 75.2° | 69.8° |
| C10 | N8 | C7 | H7 | 154.3° | 162.2° |
| C10 | C9 | N5 | HN5 | 131.0° | 168.1° |
| C9 | C10 | N8 | HN8 | 121.4° | 167.6° |
| C1' | C2' | C3' | S2' | 179.5° | 180.0° |
| C1' | C2' | C3' | O3' | 1.9° | 14.5° |
| C1' | C2' | C3' | C4' | 122.7° | 134.7° |
| C2' | C1' | C6 | H6 | 134.3° | 140.1° |
| C1' | C2' | C3' | H3' | 116.5° | 105.8° |
| S1' | C1' | C2' | C3' | 171.0° | 179.7° |
| S1' | C1' | C2' | S2' | 9.6° | 0.3° |
| S1' | C1' | C6 | H6 | 45.2° | 39.8° |
| C2' | C3' | O3' | C4' | 122.6° | 120.2° |
| C2' | C3' | O3' | H3' | 116.5° | 120.2° |
| C2' | C3' | C4' | H3' | 116.6° | 119.5° |
| C2' | C3' | C4' | O4' | 172.9° | 175.0° |
| C2' | C3' | C4' | H4' | 67.2° | 55.0° |
| C2' | C3' | C4' | H4'A | 52.9° | 65.0° |
| S2' | C2' | C3' | O3' | 178.6° | 165.5° |
| S2' | C2' | C3' | C4' | 57.8° | 45.3° |
| S2' | C2' | C3' | H3' | 63.0° | 74.2° |
| O3' | C3' | C4' | H3' | 118.7° | 119.6° |
| O3' | C3' | C4' | O4' | 48.2° | 64.2° |
| C3' | O3' | C7 | H7 | 51.9° | 49.1° |
| O3' | C3' | C4' | H4' | 168.2° | 175.8° |
| O3' | C3' | C4' | H4'A | 71.8° | 55.8° |
| C3' | C4' | O4' | H4' | 120.0° | 120.1° |
| C3' | C4' | O4' | H4'A | 120.0° | 120.0° |
| C3' | C4' | H4' | H4'A | 119.4° | 119.9° |
| O4' | C4' | C3' | H3' | 70.5° | 55.5° |
| O4' | C4' | H4' | H4'A | 119.4° | 120.0° |
| HN5 | N5 | C6 | H6 | 146.3° | 98.4° |
| H6 | C6 | C7 | H7 | 49.6° | 52.4° |
| H7 | C7 | N8 | HN8 | 34.2° | 17.8° |
| H3' | C3' | C4' | H4' | 49.5° | 64.6° |
| H3' | C3' | C4' | H4'A | 169.5° | 175.4° |
