ICR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6' | P | sing | 1.61Å | 1.61Å | |
| O6' | H6' | sing | 0.97Å | 0.95Å | |
| P | O7' | doub | 1.48Å | 1.61Å | |
| P | O8' | sing | 1.61Å | 1.48Å | |
| P | O5' | sing | 1.61Å | 1.61Å | |
| O8' | H8' | sing | 0.97Å | 0.95Å | |
| O5' | C5' | sing | 1.43Å | 1.43Å | |
| C5' | C4' | sing | 1.53Å | 1.53Å | |
| C5' | H5'1 | sing | 1.09Å | 1.10Å | |
| C5' | H5'2 | sing | 1.09Å | 1.10Å | |
| C4' | O4' | sing | 1.45Å | 1.44Å | |
| C4' | C3' | sing | 1.54Å | 1.53Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| O4' | C1' | sing | 1.44Å | 1.43Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | C2' | sing | 1.55Å | 1.53Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | H1 | sing | 0.97Å | 0.95Å | |
| C2' | O2' | sing | 1.43Å | 1.43Å | |
| C2' | C1' | sing | 1.54Å | 1.53Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | H3 | sing | 0.97Å | 0.95Å | |
| C1' | N1 | sing | 1.46Å | 1.48Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| N1 | C2 | sing | 1.37Å | 1.33Å | |
| N1 | C5 | sing | 1.38Å | 1.33Å | |
| C2 | N3 | doub | 1.29Å | 1.33Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N3 | C4 | sing | 1.47Å | 1.47Å | |
| C4 | C7 | sing | 1.51Å | 1.53Å | |
| C4 | C5 | sing | 1.52Å | 1.53Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | O9 | sing | 1.34Å | 1.25Å | |
| C7 | O8 | doub | 1.21Å | 1.25Å | |
| O9 | HO9 | sing | 0.97Å | 0.95Å | |
| C5 | N6 | doub | 1.29Å | 1.33Å | |
| N6 | HN6 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| P | O6' | H6' | 109.5° | 106.9° |
| O6' | P | O7' | 105.8° | 109.5° |
| O6' | P | O8' | 112.9° | 109.5° |
| O6' | P | O5' | 106.1° | 109.5° |
| O7' | P | O8' | 112.9° | 109.5° |
| O7' | P | O5' | 105.4° | 109.5° |
| O8' | P | O5' | 113.1° | 109.4° |
| P | O8' | H8' | 109.5° | 106.9° |
| P | O5' | C5' | 120.5° | 106.8° |
| O5' | C5' | C4' | 109.9° | 109.5° |
| O5' | C5' | H5'1 | 109.3° | 109.4° |
| O5' | C5' | H5'2 | 109.3° | 109.5° |
| C4' | C5' | H5'1 | 109.3° | 109.4° |
| C4' | C5' | H5'2 | 109.3° | 109.5° |
| C5' | C4' | O4' | 109.2° | 110.3° |
| C5' | C4' | C3' | 110.7° | 110.7° |
| C5' | C4' | H4' | 107.8° | 110.4° |
| H5'1 | C5' | H5'2 | 109.8° | 109.5° |
| O4' | C4' | C3' | 105.9° | 104.7° |
| O4' | C4' | H4' | 112.4° | 110.4° |
| C4' | O4' | C1' | 104.0° | 105.4° |
| C3' | C4' | H4' | 110.9° | 110.3° |
| C4' | C3' | O3' | 109.7° | 110.5° |
| C4' | C3' | C2' | 103.2° | 104.2° |
| C4' | C3' | H3' | 113.4° | 110.5° |
| O4' | C1' | C2' | 100.4° | 104.8° |
| O4' | C1' | N1 | 111.9° | 110.4° |
| O4' | C1' | H1' | 114.1° | 110.3° |
| O3' | C3' | C2' | 109.6° | 110.5° |
| O3' | C3' | H3' | 107.4° | 110.4° |
| C3' | O3' | H1 | 109.5° | 106.8° |
| C2' | C3' | H3' | 113.5° | 110.5° |
| C3' | C2' | O2' | 109.6° | 110.5° |
| C3' | C2' | C1' | 100.5° | 104.1° |
| C3' | C2' | H2' | 114.7° | 110.5° |
| O2' | C2' | C1' | 108.5° | 110.6° |
| O2' | C2' | H2' | 107.6° | 110.4° |
| C2' | O2' | H3 | 109.5° | 106.8° |
| C1' | C2' | H2' | 115.7° | 110.5° |
| C2' | C1' | N1 | 110.5° | 110.4° |
| C2' | C1' | H1' | 115.4° | 110.4° |
| N1 | C1' | H1' | 104.6° | 110.4° |
| C1' | N1 | C2 | 126.4° | 125.0° |
| C1' | N1 | C5 | 125.3° | 124.9° |
| C2 | N1 | C5 | 108.3° | 110.1° |
| N1 | C2 | N3 | 110.8° | 113.4° |
| N1 | C2 | H2 | 124.6° | 123.3° |
| N1 | C5 | C4 | 109.3° | 104.5° |
| N1 | C5 | N6 | 124.9° | 127.7° |
| N3 | C2 | H2 | 124.6° | 123.3° |
| C2 | N3 | C4 | 107.4° | 108.2° |
| N3 | C4 | C7 | 110.3° | 110.6° |
| N3 | C4 | C5 | 97.7° | 103.9° |
| N3 | C4 | H4 | 116.6° | 110.5° |
| C7 | C4 | C5 | 110.4° | 110.5° |
| C7 | C4 | H4 | 105.3° | 110.5° |
| C4 | C7 | O9 | 117.4° | 120.0° |
| C4 | C7 | O8 | 117.2° | 120.0° |
| C5 | C4 | H4 | 116.6° | 110.7° |
| C4 | C5 | N6 | 125.8° | 127.8° |
| O9 | C7 | O8 | 125.4° | 120.0° |
| C7 | O9 | HO9 | 109.5° | 120.0° |
| C5 | N6 | HN6 | 106.7° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6' | P | O7' | O8' | 124.0° | 120.0° |
| O6' | P | O7' | O5' | 112.1° | 120.0° |
| O6' | P | O8' | O5' | 120.5° | 120.0° |
| O6' | P | O8' | H8' | 66.8° | 60.0° |
| O6' | P | O5' | C5' | 62.9° | 175.0° |
| H6' | O6' | P | O7' | 83.6° | 60.0° |
| H6' | O6' | P | O8' | 152.4° | 60.1° |
| H6' | O6' | P | O5' | 28.1° | 180.0° |
| O7' | P | O8' | O5' | 119.6° | 120.0° |
| O7' | P | O8' | H8' | 53.1° | 180.0° |
| O7' | P | O5' | C5' | 174.8° | 55.0° |
| O8' | P | O5' | C5' | 61.3° | 65.0° |
| O5' | P | O8' | H8' | 172.7° | 60.0° |
| P | O5' | C5' | C4' | 178.0° | 180.0° |
| P | O5' | C5' | H5'1 | 58.2° | 60.0° |
| P | O5' | C5' | H5'2 | 62.0° | 59.9° |
| O5' | C5' | C4' | H5'1 | 119.8° | 119.9° |
| O5' | C5' | C4' | H5'2 | 120.0° | 120.1° |
| O5' | C5' | H5'1 | H5'2 | 119.9° | 120.0° |
| O5' | C5' | C4' | O4' | 52.6° | 66.5° |
| O5' | C5' | C4' | C3' | 63.6° | 178.1° |
| O5' | C5' | C4' | H4' | 174.9° | 55.8° |
| C4' | C5' | H5'1 | H5'2 | 119.9° | 120.0° |
| C5' | C4' | O4' | C3' | 119.2° | 119.1° |
| C5' | C4' | O4' | H4' | 119.5° | 122.2° |
| C5' | C4' | C3' | H4' | 119.5° | 122.4° |
| C5' | C4' | O4' | C1' | 151.9° | 159.5° |
| C5' | C4' | C3' | O3' | 123.0° | 98.6° |
| C5' | C4' | C3' | C2' | 120.3° | 142.7° |
| C5' | C4' | C3' | H3' | 2.9° | 24.0° |
| H5'1 | C5' | C4' | O4' | 67.2° | 173.6° |
| H5'1 | C5' | C4' | C3' | 176.5° | 58.2° |
| H5'1 | C5' | C4' | H4' | 55.1° | 64.2° |
| H5'2 | C5' | C4' | O4' | 172.6° | 53.6° |
| H5'2 | C5' | C4' | C3' | 56.3° | 61.8° |
| H5'2 | C5' | C4' | H4' | 65.1° | 175.8° |
| O4' | C4' | C3' | H4' | 122.2° | 118.7° |
| O4' | C4' | C3' | O3' | 118.8° | 142.5° |
| O4' | C4' | C3' | C2' | 2.1° | 23.8° |
| O4' | C4' | C3' | H3' | 121.1° | 94.9° |
| C4' | O4' | C1' | C2' | 49.9° | 40.5° |
| C4' | O4' | C1' | N1 | 167.2° | 159.3° |
| C4' | O4' | C1' | H1' | 74.2° | 78.4° |
| C3' | C4' | O4' | C1' | 32.6° | 40.4° |
| C4' | C3' | O3' | C2' | 112.6° | 114.8° |
| C4' | C3' | O3' | H3' | 123.7° | 122.6° |
| C4' | C3' | C2' | H3' | 123.2° | 118.7° |
| C4' | C3' | O3' | H1 | 117.9° | 178.1° |
| C4' | C3' | C2' | O2' | 140.8° | 118.8° |
| C4' | C3' | C2' | C1' | 26.8° | 0.1° |
| C4' | C3' | C2' | H2' | 98.1° | 118.6° |
| H4' | C4' | O4' | C1' | 88.6° | 78.3° |
| H4' | C4' | C3' | O3' | 3.4° | 23.8° |
| H4' | C4' | C3' | C2' | 120.1° | 94.9° |
| H4' | C4' | C3' | H3' | 116.7° | 146.4° |
| O4' | C1' | C2' | C3' | 46.9° | 24.0° |
| O4' | C1' | C2' | O2' | 161.8° | 142.7° |
| O4' | C1' | C2' | N1 | 118.3° | 118.9° |
| O4' | C1' | C2' | H1' | 123.2° | 118.8° |
| O4' | C1' | C2' | H2' | 77.2° | 94.7° |
| O4' | C1' | N1 | H1' | 124.1° | 122.3° |
| O4' | C1' | N1 | C2 | 85.7° | 50.4° |
| O4' | C1' | N1 | C5 | 95.3° | 129.9° |
| O3' | C3' | C2' | H3' | 120.1° | 122.6° |
| O3' | C3' | C2' | O2' | 24.0° | 0.1° |
| O3' | C3' | C2' | C1' | 90.0° | 118.6° |
| O3' | C3' | C2' | H2' | 145.2° | 122.7° |
| C2' | C3' | O3' | H1 | 129.5° | 63.3° |
| C3' | C2' | O2' | C1' | 108.8° | 114.7° |
| C3' | C2' | O2' | H2' | 125.3° | 122.6° |
| C3' | C2' | C1' | H2' | 124.2° | 118.7° |
| C3' | C2' | O2' | H3 | 49.3° | 61.5° |
| C3' | C2' | C1' | N1 | 165.3° | 142.9° |
| C3' | C2' | C1' | H1' | 76.2° | 94.8° |
| H3' | C3' | O3' | H1 | 5.8° | 59.3° |
| H3' | C3' | C2' | O2' | 96.1° | 122.4° |
| H3' | C3' | C2' | C1' | 149.9° | 118.8° |
| H3' | C3' | C2' | H2' | 25.1° | 0.1° |
| O2' | C2' | C1' | H2' | 121.0° | 122.6° |
| O2' | C2' | C1' | N1 | 79.8° | 98.4° |
| O2' | C2' | C1' | H1' | 38.6° | 23.9° |
| C1' | C2' | O2' | H3 | 158.1° | 176.2° |
| C2' | C1' | N1 | H1' | 124.8° | 122.3° |
| C2' | C1' | N1 | C2 | 25.4° | 64.9° |
| C2' | C1' | N1 | C5 | 153.6° | 114.7° |
| H2' | C2' | O2' | H3 | 76.1° | 61.1° |
| H2' | C2' | C1' | N1 | 41.1° | 24.2° |
| H2' | C2' | C1' | H1' | 159.6° | 146.5° |
| C1' | N1 | C2 | C5 | 179.1° | 179.7° |
| C1' | N1 | C2 | N3 | 163.6° | 180.0° |
| C1' | N1 | C2 | H2 | 16.4° | 0.0° |
| C1' | N1 | C5 | C4 | 179.9° | 179.9° |
| C1' | N1 | C5 | N6 | 0.0° | 0.3° |
| H1' | C1' | N1 | C2 | 150.2° | 172.7° |
| H1' | C1' | N1 | C5 | 28.8° | 7.6° |
| N1 | C2 | N3 | H2 | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 26.6° | 0.0° |
| C2 | N1 | C5 | C4 | 0.9° | 0.4° |
| C2 | N1 | C5 | N6 | 179.2° | 180.0° |
| C5 | N1 | C2 | N3 | 17.2° | 0.3° |
| C5 | N1 | C2 | H2 | 162.8° | 179.7° |
| N1 | C5 | C4 | N3 | 13.3° | 0.4° |
| N1 | C5 | C4 | C7 | 101.8° | 119.0° |
| N1 | C5 | C4 | N6 | 179.9° | 179.6° |
| N1 | C5 | C4 | H4 | 138.2° | 118.3° |
| N1 | C5 | N6 | HN6 | 0.0° | 179.5° |
| C2 | N3 | C4 | C7 | 92.2° | 118.8° |
| C2 | N3 | C4 | C5 | 22.9° | 0.2° |
| C2 | N3 | C4 | H4 | 147.9° | 118.6° |
| H2 | C2 | N3 | C4 | 153.4° | 180.0° |
| N3 | C4 | C7 | C5 | 106.9° | 114.5° |
| N3 | C4 | C7 | H4 | 126.6° | 122.7° |
| N3 | C4 | C5 | H4 | 125.0° | 118.7° |
| N3 | C4 | C7 | O9 | 160.8° | 161.4° |
| N3 | C4 | C7 | O8 | 19.7° | 18.6° |
| N3 | C4 | C5 | N6 | 166.6° | 180.0° |
| C7 | C4 | C5 | H4 | 120.0° | 122.7° |
| C4 | C7 | O9 | O8 | 179.4° | 180.0° |
| C4 | C7 | O9 | HO9 | 179.4° | 180.0° |
| C7 | C4 | C5 | N6 | 78.3° | 61.4° |
| C5 | C4 | C7 | O9 | 53.9° | 84.1° |
| C5 | C4 | C7 | O8 | 126.6° | 95.9° |
| C4 | C5 | N6 | HN6 | 179.9° | 0.0° |
| H4 | C4 | C7 | O9 | 72.6° | 38.7° |
| H4 | C4 | C7 | O8 | 106.8° | 141.3° |
| H4 | C4 | C5 | N6 | 41.7° | 61.3° |
| O8 | C7 | O9 | HO9 | 0.0° | 0.0° |
