DXD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | OP1 | doub | 1.50Å | 1.48Å | |
| P | OP2 | sing | 1.62Å | 1.48Å | |
| P | O5' | sing | 1.62Å | 1.61Å | |
| P | OP3 | sing | 1.62Å | 18.64Å | |
| OP2 | HOP2 | sing | 0.98Å | 0.95Å | |
| O5' | C5' | sing | 1.42Å | 1.44Å | |
| C5' | C4' | sing | 1.52Å | 1.59Å | |
| C5' | H5'1 | sing | 1.09Å | 1.09Å | |
| C5' | H5'2 | sing | 1.09Å | 1.09Å | |
| C4' | C6' | sing | 1.53Å | 1.59Å | |
| C4' | C3' | sing | 1.53Å | 1.68Å | |
| C4' | H4' | sing | 1.10Å | 1.09Å | |
| C1' | C6' | sing | 1.53Å | 1.53Å | |
| C1' | O6' | sing | 1.42Å | 1.42Å | |
| C1' | C2' | sing | 1.53Å | 1.53Å | |
| C1' | H1' | sing | 1.09Å | 1.09Å | |
| C6' | H6'1 | sing | 1.09Å | 1.09Å | |
| C6' | H6'2 | sing | 1.10Å | 1.09Å | |
| O6' | H7' | sing | 0.97Å | 0.96Å | |
| C2' | C3' | sing | 1.53Å | 1.55Å | |
| C2' | H2'1 | sing | 1.10Å | 1.09Å | |
| C2' | H2'2 | sing | 1.10Å | 1.09Å | |
| C3' | O3' | sing | 1.42Å | 1.44Å | |
| C3' | H3' | sing | 1.10Å | 1.09Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| OP3 | HOP3 | sing | 0.98Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OP1 | P | OP2 | 120.2° | 115.3° |
| OP1 | P | O5' | 108.9° | 115.0° |
| OP1 | P | OP3 | 130.8° | 115.0° |
| OP2 | P | O5' | 108.6° | 103.7° |
| OP2 | P | OP3 | 107.3° | 103.3° |
| P | OP2 | HOP2 | 120.2° | 118.9° |
| O5' | P | OP3 | 63.6° | 102.9° |
| P | O5' | C5' | 120.5° | 118.5° |
| P | OP3 | HOP3 | 130.8° | 118.9° |
| O5' | C5' | C4' | 113.3° | 108.7° |
| O5' | C5' | H5'1 | 106.5° | 109.1° |
| O5' | C5' | H5'2 | 108.8° | 109.1° |
| C4' | C5' | H5'1 | 119.2° | 110.2° |
| C4' | C5' | H5'2 | 105.5° | 110.2° |
| C5' | C4' | C6' | 117.9° | 113.1° |
| C5' | C4' | C3' | 103.3° | 113.1° |
| C5' | C4' | H4' | 103.3° | 107.8° |
| H5'1 | C5' | H5'2 | 102.8° | 109.5° |
| C6' | C4' | C3' | 99.5° | 102.5° |
| C6' | C4' | H4' | 104.3° | 110.2° |
| C4' | C6' | C1' | 108.4° | 103.0° |
| C4' | C6' | H6'1 | 113.9° | 111.4° |
| C4' | C6' | H6'2 | 118.8° | 110.4° |
| C3' | C4' | H4' | 129.9° | 110.0° |
| C4' | C3' | C2' | 100.5° | 105.2° |
| C4' | C3' | O3' | 108.3° | 110.7° |
| C4' | C3' | H3' | 130.4° | 111.2° |
| C6' | C1' | O6' | 104.5° | 109.8° |
| C6' | C1' | C2' | 105.8° | 105.7° |
| C6' | C1' | H1' | 115.7° | 112.4° |
| C1' | C6' | H6'1 | 97.8° | 112.7° |
| C1' | C6' | H6'2 | 114.8° | 110.2° |
| O6' | C1' | C2' | 107.4° | 108.6° |
| O6' | C1' | H1' | 102.1° | 107.8° |
| C1' | O6' | H7' | 106.4° | 106.6° |
| C2' | C1' | H1' | 120.0° | 112.5° |
| C1' | C2' | C3' | 101.0° | 106.0° |
| C1' | C2' | H2'1 | 115.7° | 112.5° |
| C1' | C2' | H2'2 | 107.0° | 109.9° |
| H6'1 | C6' | H6'2 | 101.0° | 109.0° |
| C3' | C2' | H2'1 | 112.3° | 112.2° |
| C3' | C2' | H2'2 | 113.4° | 108.7° |
| C2' | C3' | O3' | 113.5° | 111.5° |
| C2' | C3' | H3' | 102.8° | 110.1° |
| H2'1 | C2' | H2'2 | 107.4° | 107.6° |
| O3' | C3' | H3' | 101.4° | 108.2° |
| C3' | O3' | HO3' | 108.3° | 107.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP1 | P | OP2 | O5' | 126.2° | 126.7° |
| OP1 | P | OP2 | OP3 | 166.6° | 126.3° |
| OP1 | P | O5' | OP3 | 127.0° | 125.8° |
| OP1 | P | OP2 | HOP2 | 180.0° | 48.8° |
| OP1 | P | O5' | C5' | 67.1° | 180.0° |
| OP1 | P | OP3 | HOP3 | 180.0° | 48.0° |
| OP2 | P | O5' | OP3 | 100.5° | 107.4° |
| OP2 | P | O5' | C5' | 160.4° | 53.1° |
| OP2 | P | OP3 | HOP3 | 15.4° | 78.5° |
| O5' | P | OP2 | HOP2 | 53.8° | 175.4° |
| P | O5' | C5' | C4' | 177.5° | 180.0° |
| P | O5' | C5' | H5'1 | 44.6° | 59.8° |
| P | O5' | C5' | H5'2 | 65.5° | 59.8° |
| O5' | P | OP3 | HOP3 | 87.2° | 173.8° |
| OP3 | P | OP2 | HOP2 | 13.4° | 77.5° |
| OP3 | P | O5' | C5' | 59.8° | 54.2° |
| O5' | C5' | C4' | H5'1 | 126.4° | 119.5° |
| O5' | C5' | C4' | H5'2 | 118.8° | 119.5° |
| O5' | C5' | H5'1 | H5'2 | 114.3° | 119.3° |
| O5' | C5' | C4' | C6' | 49.1° | 59.6° |
| O5' | C5' | C4' | C3' | 59.4° | 175.5° |
| O5' | C5' | C4' | H4' | 163.5° | 62.6° |
| C4' | C5' | H5'1 | H5'2 | 116.1° | 121.4° |
| C5' | C4' | C6' | C3' | 110.6° | 122.1° |
| C5' | C4' | C6' | H4' | 113.9° | 120.8° |
| C5' | C4' | C3' | H4' | 120.4° | 120.6° |
| C5' | C4' | C6' | C1' | 98.1° | 164.3° |
| C5' | C4' | C6' | H6'1 | 154.2° | 74.6° |
| C5' | C4' | C6' | H6'2 | 35.3° | 46.7° |
| C5' | C4' | C3' | C2' | 84.2° | 157.8° |
| C5' | C4' | C3' | O3' | 156.5° | 81.7° |
| C5' | C4' | C3' | H3' | 32.7° | 38.6° |
| H5'1 | C5' | C4' | C6' | 77.3° | 60.0° |
| H5'1 | C5' | C4' | C3' | 174.2° | 56.0° |
| H5'1 | C5' | C4' | H4' | 37.0° | 177.9° |
| H5'2 | C5' | C4' | C6' | 167.9° | 179.1° |
| H5'2 | C5' | C4' | C3' | 59.4° | 65.0° |
| H5'2 | C5' | C4' | H4' | 77.7° | 56.9° |
| C6' | C4' | C3' | H4' | 117.7° | 117.2° |
| C4' | C6' | C1' | H6'1 | 118.4° | 120.2° |
| C4' | C6' | C1' | H6'2 | 135.5° | 117.8° |
| C4' | C6' | C1' | O6' | 95.5° | 84.0° |
| C4' | C6' | C1' | C2' | 17.7° | 32.9° |
| C4' | C6' | C1' | H1' | 153.1° | 156.0° |
| C4' | C6' | H6'1 | H6'2 | 128.6° | 122.0° |
| C6' | C4' | C3' | C2' | 37.6° | 35.6° |
| C6' | C4' | C3' | O3' | 81.6° | 156.1° |
| C6' | C4' | C3' | H3' | 154.6° | 83.5° |
| C3' | C4' | C6' | C1' | 12.5° | 42.2° |
| C4' | C3' | C2' | C1' | 49.3° | 15.4° |
| C3' | C4' | C6' | H6'1 | 95.1° | 163.3° |
| C3' | C4' | C6' | H6'2 | 146.0° | 75.5° |
| C4' | C3' | C2' | O3' | 115.4° | 120.0° |
| C4' | C3' | C2' | H3' | 135.9° | 119.9° |
| C4' | C3' | C2' | H2'1 | 173.2° | 107.7° |
| C4' | C3' | C2' | H2'2 | 64.8° | 133.5° |
| C4' | C3' | O3' | H3' | 139.8° | 122.1° |
| C4' | C3' | O3' | HO3' | 180.0° | 85.7° |
| H4' | C4' | C6' | C1' | 148.0° | 74.9° |
| H4' | C4' | C6' | H6'1 | 40.4° | 46.2° |
| H4' | C4' | C6' | H6'2 | 78.5° | 167.5° |
| H4' | C4' | C3' | C2' | 155.4° | 81.6° |
| H4' | C4' | C3' | O3' | 36.1° | 38.9° |
| H4' | C4' | C3' | H3' | 87.7° | 159.2° |
| C6' | C1' | O6' | C2' | 112.0° | 115.1° |
| C6' | C1' | O6' | H1' | 120.9° | 122.7° |
| C6' | C1' | C2' | H1' | 133.1° | 123.0° |
| C1' | C6' | H6'1 | H6'2 | 117.3° | 122.7° |
| C6' | C1' | O6' | H7' | 58.9° | 158.1° |
| C6' | C1' | C2' | C3' | 42.7° | 10.9° |
| C6' | C1' | C2' | H2'1 | 164.2° | 133.8° |
| C6' | C1' | C2' | H2'2 | 76.2° | 106.4° |
| O6' | C1' | C2' | H1' | 115.8° | 119.3° |
| O6' | C1' | C6' | H6'1 | 23.0° | 36.1° |
| O6' | C1' | C6' | H6'2 | 129.0° | 158.2° |
| O6' | C1' | C2' | C3' | 68.4° | 106.9° |
| O6' | C1' | C2' | H2'1 | 53.1° | 16.0° |
| O6' | C1' | C2' | H2'2 | 172.7° | 135.8° |
| C2' | C1' | C6' | H6'1 | 136.1° | 153.1° |
| C2' | C1' | C6' | H6'2 | 117.9° | 84.8° |
| C2' | C1' | O6' | H7' | 53.2° | 43.0° |
| C1' | C2' | C3' | H2'1 | 123.9° | 123.1° |
| C1' | C2' | C3' | H2'2 | 114.1° | 118.1° |
| C1' | C2' | H2'1 | H2'2 | 119.4° | 121.1° |
| C1' | C2' | C3' | O3' | 66.1° | 135.4° |
| C1' | C2' | C3' | H3' | 174.8° | 104.5° |
| H1' | C1' | C6' | H6'1 | 88.5° | 83.8° |
| H1' | C1' | C6' | H6'2 | 17.6° | 38.3° |
| H1' | C1' | O6' | H7' | 179.7° | 79.2° |
| H1' | C1' | C2' | C3' | 175.8° | 133.9° |
| H1' | C1' | C2' | H2'1 | 62.7° | 103.2° |
| H1' | C1' | C2' | H2'2 | 56.9° | 16.6° |
| C3' | C2' | H2'1 | H2'2 | 125.3° | 119.5° |
| C2' | C3' | O3' | H3' | 109.5° | 121.2° |
| C2' | C3' | O3' | HO3' | 69.4° | 31.0° |
| H2'1 | C2' | C3' | O3' | 57.8° | 12.3° |
| H2'1 | C2' | C3' | H3' | 50.9° | 132.4° |
| H2'2 | C2' | C3' | O3' | 179.8° | 106.6° |
| H2'2 | C2' | C3' | H3' | 71.1° | 13.6° |
| H3' | C3' | O3' | HO3' | 40.2° | 152.2° |
