IU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | OP1 | doub | 1.50Å | 1.49Å | |
| P | OP2 | sing | 1.62Å | 1.49Å | |
| P | OP3 | sing | 1.62Å | 42.41Å | |
| P | O5' | sing | 1.62Å | 1.59Å | |
| OP2 | HOP2 | sing | 0.98Å | 0.95Å | |
| OP3 | HOP3 | sing | 0.98Å | 0.95Å | |
| O5' | C5' | sing | 1.42Å | 1.42Å | |
| C5' | C4' | sing | 1.52Å | 1.50Å | |
| C5' | H5' | sing | 1.09Å | 1.11Å | |
| C5' | H5'' | sing | 1.09Å | 1.12Å | |
| C4' | O4' | sing | 1.44Å | 1.43Å | |
| C4' | C3' | sing | 1.52Å | 1.52Å | |
| C4' | H4' | sing | 1.09Å | 1.11Å | |
| O4' | C1' | sing | 1.44Å | 1.40Å | |
| C3' | O3' | sing | 1.43Å | 1.44Å | |
| C3' | C2' | sing | 1.51Å | 1.53Å | |
| C3' | H3' | sing | 1.09Å | 1.12Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C2' | O2' | sing | 1.41Å | 1.41Å | |
| C2' | C1' | sing | 1.52Å | 1.53Å | |
| C2' | H2' | sing | 1.10Å | 1.12Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C1' | N1 | sing | 1.43Å | 1.46Å | |
| C1' | H1' | sing | 1.09Å | 1.11Å | |
| N1 | C2 | sing | 1.41Å | 1.38Å | |
| N1 | C6 | sing | 1.39Å | 1.35Å | |
| C2 | O2 | doub | 1.23Å | 1.22Å | |
| C2 | N3 | sing | 1.40Å | 1.36Å | |
| N3 | C4 | sing | 1.39Å | 1.38Å | |
| N3 | H3 | sing | 1.02Å | 1.02Å | |
| C4 | O4 | doub | 1.23Å | 1.23Å | |
| C4 | C5 | sing | 1.49Å | 1.43Å | |
| C5 | C6 | doub | 1.34Å | 1.31Å | |
| C5 | I5 | sing | 2.05Å | 2.09Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OP1 | P | OP2 | 119.1° | 115.3° |
| OP1 | P | OP3 | 100.2° | 114.9° |
| OP1 | P | O5' | 108.7° | 115.0° |
| OP2 | P | OP3 | 83.7° | 103.3° |
| OP2 | P | O5' | 106.2° | 103.8° |
| P | OP2 | HOP2 | 119.1° | 119.0° |
| OP3 | P | O5' | 138.6° | 102.9° |
| P | OP3 | HOP3 | 100.2° | 119.0° |
| P | O5' | C5' | 122.5° | 118.5° |
| O5' | C5' | C4' | 108.3° | 108.6° |
| O5' | C5' | H5' | 112.7° | 109.2° |
| O5' | C5' | H5'' | 112.6° | 109.3° |
| C4' | C5' | H5' | 112.6° | 110.1° |
| C4' | C5' | H5'' | 112.6° | 110.1° |
| C5' | C4' | O4' | 105.7° | 108.2° |
| C5' | C4' | C3' | 113.0° | 113.3° |
| C5' | C4' | H4' | 108.9° | 109.3° |
| H5' | C5' | H5'' | 97.7° | 109.6° |
| O4' | C4' | C3' | 107.3° | 105.9° |
| O4' | C4' | H4' | 114.5° | 107.7° |
| C4' | O4' | C1' | 109.3° | 109.2° |
| C3' | C4' | H4' | 107.5° | 112.2° |
| C4' | C3' | O3' | 105.4° | 107.9° |
| C4' | C3' | C2' | 105.8° | 102.1° |
| C4' | C3' | H3' | 115.8° | 114.5° |
| O4' | C1' | C2' | 109.2° | 106.5° |
| O4' | C1' | N1 | 107.9° | 109.0° |
| O4' | C1' | H1' | 113.8° | 108.9° |
| O3' | C3' | C2' | 113.3° | 110.3° |
| O3' | C3' | H3' | 108.6° | 107.8° |
| C3' | O3' | HO3' | 105.4° | 106.4° |
| C2' | C3' | H3' | 108.2° | 114.0° |
| C3' | C2' | O2' | 116.9° | 112.3° |
| C3' | C2' | C1' | 103.3° | 102.0° |
| C3' | C2' | H2' | 109.2° | 110.1° |
| O2' | C2' | C1' | 110.8° | 112.6° |
| O2' | C2' | H2' | 101.6° | 108.6° |
| C2' | O2' | HO2' | 116.9° | 107.1° |
| C1' | C2' | H2' | 115.5° | 111.1° |
| C2' | C1' | N1 | 117.4° | 112.5° |
| C2' | C1' | H1' | 103.7° | 112.6° |
| N1 | C1' | H1' | 105.0° | 107.3° |
| C1' | N1 | C2 | 117.6° | 121.2° |
| C1' | N1 | C6 | 120.6° | 118.6° |
| C2 | N1 | C6 | 121.8° | 120.2° |
| N1 | C2 | O2 | 123.3° | 123.7° |
| N1 | C2 | N3 | 114.6° | 115.1° |
| N1 | C6 | C5 | 122.7° | 124.4° |
| N1 | C6 | H6 | 120.3° | 114.2° |
| O2 | C2 | N3 | 122.1° | 121.1° |
| C2 | N3 | C4 | 126.3° | 127.2° |
| C2 | N3 | H3 | 116.3° | 116.4° |
| C4 | N3 | H3 | 117.4° | 116.4° |
| N3 | C4 | O4 | 119.4° | 122.9° |
| N3 | C4 | C5 | 114.8° | 114.5° |
| O4 | C4 | C5 | 125.8° | 122.6° |
| C4 | C5 | C6 | 119.8° | 118.6° |
| C4 | C5 | I5 | 120.4° | 119.4° |
| C6 | C5 | I5 | 119.5° | 122.0° |
| C5 | C6 | H6 | 117.0° | 121.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP1 | P | OP2 | OP3 | 98.2° | 126.2° |
| OP1 | P | OP2 | O5' | 122.9° | 126.6° |
| OP1 | P | OP3 | O5' | 134.1° | 125.8° |
| OP1 | P | OP2 | HOP2 | 180.0° | 48.7° |
| OP1 | P | OP3 | HOP3 | 180.0° | 48.0° |
| OP1 | P | O5' | C5' | 50.4° | 179.9° |
| OP2 | P | OP3 | O5' | 107.4° | 107.7° |
| OP2 | P | OP3 | HOP3 | 61.5° | 78.5° |
| OP2 | P | O5' | C5' | 179.6° | 53.2° |
| OP3 | P | OP2 | HOP2 | 81.8° | 77.5° |
| OP3 | P | O5' | C5' | 81.4° | 54.2° |
| O5' | P | OP2 | HOP2 | 57.1° | 175.4° |
| O5' | P | OP3 | HOP3 | 45.9° | 173.8° |
| P | O5' | C5' | C4' | 175.4° | 180.0° |
| P | O5' | C5' | H5' | 50.1° | 59.9° |
| P | O5' | C5' | H5'' | 59.3° | 59.9° |
| O5' | C5' | C4' | H5' | 125.3° | 119.5° |
| O5' | C5' | C4' | H5'' | 125.3° | 119.6° |
| O5' | C5' | H5' | H5'' | 118.5° | 119.6° |
| O5' | C5' | C4' | O4' | 57.0° | 62.4° |
| O5' | C5' | C4' | C3' | 60.0° | 179.5° |
| O5' | C5' | C4' | H4' | 179.4° | 54.6° |
| C4' | C5' | H5' | H5'' | 118.5° | 121.2° |
| C5' | C4' | O4' | C3' | 120.9° | 121.7° |
| C5' | C4' | O4' | H4' | 119.9° | 118.1° |
| C5' | C4' | C3' | H4' | 120.2° | 124.4° |
| C5' | C4' | O4' | C1' | 143.1° | 109.0° |
| C5' | C4' | C3' | O3' | 111.2° | 156.8° |
| C5' | C4' | C3' | C2' | 128.5° | 86.9° |
| C5' | C4' | C3' | H3' | 8.8° | 36.8° |
| H5' | C5' | C4' | O4' | 177.6° | 57.1° |
| H5' | C5' | C4' | C3' | 65.3° | 60.0° |
| H5' | C5' | C4' | H4' | 54.1° | 174.1° |
| H5'' | C5' | C4' | O4' | 68.2° | 178.0° |
| H5'' | C5' | C4' | C3' | 174.7° | 60.9° |
| H5'' | C5' | C4' | H4' | 55.3° | 65.0° |
| O4' | C4' | C3' | H4' | 123.6° | 117.2° |
| O4' | C4' | C3' | O3' | 132.6° | 84.7° |
| O4' | C4' | C3' | C2' | 12.3° | 31.5° |
| O4' | C4' | C3' | H3' | 107.4° | 155.2° |
| C4' | O4' | C1' | C2' | 23.3° | 11.3° |
| C4' | O4' | C1' | N1 | 151.9° | 132.9° |
| C4' | O4' | C1' | H1' | 92.0° | 110.3° |
| C3' | C4' | O4' | C1' | 22.2° | 12.8° |
| C4' | C3' | O3' | C2' | 115.2° | 110.7° |
| C4' | C3' | O3' | H3' | 124.6° | 124.2° |
| C4' | C3' | C2' | H3' | 124.6° | 124.0° |
| C4' | C3' | O3' | HO3' | 180.0° | 15.2° |
| C4' | C3' | C2' | O2' | 122.9° | 158.0° |
| C4' | C3' | C2' | C1' | 0.9° | 37.1° |
| C4' | C3' | C2' | H2' | 122.5° | 80.9° |
| H4' | C4' | O4' | C1' | 97.0° | 133.0° |
| H4' | C4' | C3' | O3' | 9.0° | 32.5° |
| H4' | C4' | C3' | C2' | 111.3° | 148.7° |
| H4' | C4' | C3' | H3' | 129.0° | 87.6° |
| O4' | C1' | C2' | C3' | 14.4° | 30.7° |
| O4' | C1' | C2' | O2' | 140.4° | 151.3° |
| O4' | C1' | C2' | N1 | 123.2° | 119.3° |
| O4' | C1' | C2' | H1' | 121.7° | 119.3° |
| O4' | C1' | C2' | H2' | 104.9° | 86.6° |
| O4' | C1' | N1 | H1' | 121.7° | 117.7° |
| O4' | C1' | N1 | C2 | 137.5° | 147.8° |
| O4' | C1' | N1 | C6 | 41.9° | 32.2° |
| O3' | C3' | C2' | H3' | 120.5° | 121.5° |
| O3' | C3' | C2' | O2' | 8.0° | 43.5° |
| O3' | C3' | C2' | C1' | 114.0° | 77.4° |
| O3' | C3' | C2' | H2' | 122.5° | 164.6° |
| C2' | C3' | O3' | HO3' | 64.9° | 95.6° |
| C3' | C2' | O2' | C1' | 118.0° | 114.5° |
| C3' | C2' | O2' | H2' | 118.8° | 122.0° |
| C3' | C2' | C1' | H2' | 119.2° | 117.3° |
| C3' | C2' | O2' | HO2' | 180.0° | 168.8° |
| C3' | C2' | C1' | N1 | 137.5° | 150.0° |
| C3' | C2' | C1' | H1' | 107.3° | 88.5° |
| H3' | C3' | O3' | HO3' | 55.4° | 139.4° |
| H3' | C3' | C2' | O2' | 112.5° | 78.0° |
| H3' | C3' | C2' | C1' | 125.5° | 161.1° |
| H3' | C3' | C2' | H2' | 2.1° | 43.1° |
| O2' | C2' | C1' | H2' | 114.7° | 122.1° |
| O2' | C2' | C1' | N1 | 96.5° | 89.4° |
| O2' | C2' | C1' | H1' | 18.7° | 32.1° |
| C1' | C2' | O2' | HO2' | 61.9° | 54.3° |
| C2' | C1' | N1 | H1' | 114.5° | 124.4° |
| C2' | C1' | N1 | C2 | 98.7° | 94.3° |
| C2' | C1' | N1 | C6 | 81.9° | 85.7° |
| H2' | C2' | O2' | HO2' | 61.3° | 69.2° |
| H2' | C2' | C1' | N1 | 18.3° | 32.7° |
| H2' | C2' | C1' | H1' | 133.5° | 154.2° |
| C1' | N1 | C2 | C6 | 179.5° | 180.0° |
| C1' | N1 | C2 | O2 | 1.1° | 0.1° |
| C1' | N1 | C2 | N3 | 179.9° | 180.0° |
| C1' | N1 | C6 | C5 | 179.9° | 180.0° |
| C1' | N1 | C6 | H6 | 0.1° | 0.1° |
| H1' | C1' | N1 | C2 | 15.8° | 30.0° |
| H1' | C1' | N1 | C6 | 163.7° | 150.0° |
| N1 | C2 | O2 | N3 | 178.7° | 180.0° |
| N1 | C2 | N3 | C4 | 0.4° | 0.0° |
| N1 | C2 | N3 | H3 | 179.6° | 180.0° |
| C2 | N1 | C6 | C5 | 0.5° | 0.0° |
| C2 | N1 | C6 | H6 | 179.5° | 179.9° |
| C6 | N1 | C2 | O2 | 178.4° | 179.9° |
| C6 | N1 | C2 | N3 | 0.4° | 0.0° |
| N1 | C6 | C5 | C4 | 0.5° | 0.1° |
| N1 | C6 | C5 | H6 | 180.0° | 179.9° |
| N1 | C6 | C5 | I5 | 173.1° | 180.0° |
| O2 | C2 | N3 | C4 | 178.4° | 179.9° |
| O2 | C2 | N3 | H3 | 1.6° | 0.1° |
| C2 | N3 | C4 | H3 | 180.0° | 180.0° |
| C2 | N3 | C4 | O4 | 178.3° | 179.9° |
| C2 | N3 | C4 | C5 | 0.5° | 0.0° |
| N3 | C4 | O4 | C5 | 178.7° | 179.9° |
| N3 | C4 | C5 | C6 | 0.5° | 0.1° |
| N3 | C4 | C5 | I5 | 173.0° | 180.0° |
| H3 | N3 | C4 | O4 | 1.6° | 0.1° |
| H3 | N3 | C4 | C5 | 179.6° | 180.0° |
| O4 | C4 | C5 | C6 | 178.2° | 180.0° |
| O4 | C4 | C5 | I5 | 8.3° | 0.1° |
| C4 | C5 | C6 | I5 | 173.6° | 179.9° |
| C4 | C5 | C6 | H6 | 179.5° | 180.0° |
| I5 | C5 | C6 | H6 | 7.0° | 0.1° |
