D3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | OP1 | doub | 1.48Å | 1.48Å | |
| P | OP2 | sing | 1.61Å | 1.48Å | |
| P | OP3 | sing | 1.61Å | 1.61Å | |
| P | O5' | sing | 1.61Å | 1.61Å | |
| OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
| OP3 | HOP3 | sing | 0.97Å | 0.95Å | |
| O5' | C5' | sing | 1.43Å | 1.43Å | |
| C5' | C4' | sing | 1.53Å | 1.52Å | |
| C5' | H5' | sing | 1.09Å | 1.09Å | |
| C5' | H5'' | sing | 1.09Å | 1.09Å | |
| C4' | O4' | sing | 1.45Å | 1.46Å | |
| C4' | C3' | sing | 1.54Å | 1.53Å | |
| C4' | H4' | sing | 1.09Å | 1.09Å | |
| O4' | C1' | sing | 1.44Å | 1.43Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | C2' | sing | 1.55Å | 1.50Å | |
| C3' | H3' | sing | 1.09Å | 1.09Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C2' | C1' | sing | 1.54Å | 1.51Å | |
| C2' | H2' | sing | 1.09Å | 1.09Å | |
| C2' | H2'' | sing | 1.09Å | 1.09Å | |
| C1' | N1A | sing | 1.47Å | 1.47Å | |
| C1' | H1' | sing | 1.09Å | 1.09Å | |
| N1A | C2A | sing | 1.35Å | 1.34Å | Aromatic |
| N1A | C5A | sing | 1.37Å | 1.35Å | Aromatic |
| C2A | N3A | doub | 1.30Å | 1.30Å | Aromatic |
| C2A | H2A | sing | 1.08Å | 1.09Å | |
| N3A | C4A | sing | 1.35Å | 1.39Å | Aromatic |
| C4A | C5A | doub | 1.36Å | 1.37Å | Aromatic |
| C4A | C1B | sing | 1.48Å | 1.51Å | Aromatic |
| C5A | H5A | sing | 1.08Å | 1.09Å | |
| C1B | C2B | doub | 1.39Å | 1.42Å | Aromatic |
| C1B | C6B | sing | 1.39Å | 1.41Å | Aromatic |
| C2B | C3B | sing | 1.39Å | 1.41Å | Aromatic |
| C2B | H2B | sing | 1.08Å | 1.09Å | |
| C3B | C4B | doub | 1.39Å | 1.41Å | Aromatic |
| C3B | N | sing | 1.40Å | 1.41Å | |
| C4B | C5B | sing | 1.38Å | 1.39Å | Aromatic |
| C4B | H4B | sing | 1.08Å | 1.08Å | |
| C5B | C6B | doub | 1.38Å | 1.38Å | Aromatic |
| C5B | H5B | sing | 1.08Å | 1.07Å | |
| C6B | H6B | sing | 1.08Å | 1.08Å | |
| N | C | sing | 1.35Å | 1.32Å | |
| N | HN | sing | 0.97Å | 0.98Å | |
| C | O | doub | 1.22Å | 1.22Å | |
| C | C1C | sing | 1.48Å | 1.53Å | |
| C1C | C2C | doub | 1.40Å | 1.41Å | Aromatic |
| C1C | C6C | sing | 1.40Å | 1.40Å | Aromatic |
| C2C | C3C | sing | 1.38Å | 1.40Å | Aromatic |
| C2C | H2C | sing | 1.08Å | 1.08Å | |
| C3C | C4C | doub | 1.38Å | 1.40Å | Aromatic |
| C3C | H3C | sing | 1.08Å | 1.08Å | |
| C4C | C5C | sing | 1.38Å | 1.40Å | Aromatic |
| C4C | H4C | sing | 1.08Å | 1.08Å | |
| C5C | C6C | doub | 1.38Å | 1.40Å | Aromatic |
| C5C | H5C | sing | 1.08Å | 1.08Å | |
| C6C | H6C | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OP1 | P | OP2 | 119.9° | 109.4° |
| OP1 | P | OP3 | 108.3° | 109.5° |
| OP1 | P | O5' | 108.3° | 109.4° |
| OP2 | P | OP3 | 108.1° | 109.5° |
| OP2 | P | O5' | 108.2° | 109.5° |
| P | OP2 | HOP2 | 120.0° | 106.8° |
| OP3 | P | O5' | 102.6° | 109.5° |
| P | OP3 | HOP3 | 108.3° | 106.8° |
| P | O5' | C5' | 120.7° | 106.8° |
| O5' | C5' | C4' | 111.5° | 109.5° |
| O5' | C5' | H5' | 109.0° | 109.4° |
| O5' | C5' | H5'' | 109.0° | 109.6° |
| C4' | C5' | H5' | 109.1° | 109.4° |
| C4' | C5' | H5'' | 109.0° | 109.4° |
| C5' | C4' | O4' | 110.9° | 110.4° |
| C5' | C4' | C3' | 110.8° | 110.7° |
| C5' | C4' | H4' | 109.3° | 110.3° |
| H5' | C5' | H5'' | 109.1° | 109.5° |
| O4' | C4' | C3' | 107.4° | 104.7° |
| O4' | C4' | H4' | 109.2° | 110.3° |
| C4' | O4' | C1' | 108.1° | 105.4° |
| C3' | C4' | H4' | 109.2° | 110.3° |
| C4' | C3' | O3' | 111.9° | 110.5° |
| C4' | C3' | C2' | 104.2° | 104.2° |
| C4' | C3' | H3' | 110.0° | 110.5° |
| O4' | C1' | C2' | 105.7° | 104.9° |
| O4' | C1' | N1A | 113.2° | 110.5° |
| O4' | C1' | H1' | 109.5° | 110.4° |
| O3' | C3' | C2' | 110.6° | 110.5° |
| O3' | C3' | H3' | 110.0° | 110.5° |
| C3' | O3' | HO3' | 111.8° | 106.8° |
| C2' | C3' | H3' | 109.9° | 110.5° |
| C3' | C2' | C1' | 104.9° | 104.0° |
| C3' | C2' | H2' | 109.9° | 110.5° |
| C3' | C2' | H2'' | 110.9° | 110.5° |
| C1' | C2' | H2' | 110.1° | 110.5° |
| C1' | C2' | H2'' | 110.3° | 110.5° |
| C2' | C1' | N1A | 109.6° | 110.4° |
| C2' | C1' | H1' | 109.0° | 110.3° |
| H2' | C2' | H2'' | 110.6° | 110.6° |
| N1A | C1' | H1' | 109.7° | 110.3° |
| C1' | N1A | C2A | 130.8° | 126.3° |
| C1' | N1A | C5A | 126.6° | 126.2° |
| C2A | N1A | C5A | 102.5° | 107.5° |
| N1A | C2A | N3A | 116.8° | 109.0° |
| N1A | C2A | H2A | 121.1° | 125.5° |
| N1A | C5A | C4A | 110.0° | 106.7° |
| N1A | C5A | H5A | 124.5° | 126.7° |
| N3A | C2A | H2A | 122.0° | 125.5° |
| C2A | N3A | C4A | 103.4° | 109.2° |
| N3A | C4A | C5A | 107.3° | 107.6° |
| N3A | C4A | C1B | 122.2° | 126.2° |
| C5A | C4A | C1B | 130.5° | 126.2° |
| C4A | C5A | H5A | 125.5° | 126.7° |
| C4A | C1B | C2B | 121.4° | 120.1° |
| C4A | C1B | C6B | 119.0° | 120.1° |
| C2B | C1B | C6B | 119.5° | 119.8° |
| C1B | C2B | C3B | 119.5° | 119.8° |
| C1B | C2B | H2B | 120.8° | 120.1° |
| C1B | C6B | C5B | 120.4° | 120.0° |
| C1B | C6B | H6B | 120.7° | 120.0° |
| C3B | C2B | H2B | 119.7° | 120.1° |
| C2B | C3B | C4B | 119.9° | 120.0° |
| C2B | C3B | N | 119.5° | 120.0° |
| C4B | C3B | N | 120.6° | 120.0° |
| C3B | C4B | C5B | 120.1° | 120.2° |
| C3B | C4B | H4B | 120.8° | 119.9° |
| C3B | N | C | 121.7° | 120.0° |
| C3B | N | HN | 119.2° | 120.0° |
| C5B | C4B | H4B | 119.1° | 119.9° |
| C4B | C5B | C6B | 120.6° | 120.2° |
| C4B | C5B | H5B | 120.0° | 119.9° |
| C6B | C5B | H5B | 119.4° | 119.9° |
| C5B | C6B | H6B | 118.9° | 120.0° |
| C | N | HN | 119.1° | 119.9° |
| N | C | O | 121.9° | 120.0° |
| N | C | C1C | 117.0° | 120.1° |
| O | C | C1C | 121.1° | 120.0° |
| C | C1C | C2C | 120.9° | 120.2° |
| C | C1C | C6C | 119.5° | 120.1° |
| C2C | C1C | C6C | 119.6° | 119.7° |
| C1C | C2C | C3C | 119.9° | 119.9° |
| C1C | C2C | H2C | 120.4° | 120.0° |
| C1C | C6C | C5C | 120.1° | 119.9° |
| C1C | C6C | H6C | 119.9° | 120.1° |
| C3C | C2C | H2C | 119.6° | 120.1° |
| C2C | C3C | C4C | 120.1° | 120.2° |
| C2C | C3C | H3C | 119.9° | 119.9° |
| C4C | C3C | H3C | 120.0° | 120.0° |
| C3C | C4C | C5C | 120.0° | 120.3° |
| C3C | C4C | H4C | 119.8° | 119.8° |
| C5C | C4C | H4C | 120.1° | 119.9° |
| C4C | C5C | C6C | 120.1° | 120.2° |
| C4C | C5C | H5C | 120.0° | 119.9° |
| C6C | C5C | H5C | 119.9° | 119.9° |
| C5C | C6C | H6C | 119.9° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP1 | P | OP2 | OP3 | 124.8° | 120.0° |
| OP1 | P | OP2 | O5' | 124.8° | 120.0° |
| OP1 | P | OP3 | O5' | 114.4° | 120.0° |
| OP1 | P | OP2 | HOP2 | 180.0° | 60.0° |
| OP1 | P | OP3 | HOP3 | 180.0° | 180.0° |
| OP1 | P | O5' | C5' | 67.5° | 60.0° |
| OP2 | P | OP3 | O5' | 114.2° | 120.0° |
| OP2 | P | OP3 | HOP3 | 48.6° | 60.0° |
| OP2 | P | O5' | C5' | 64.0° | 180.0° |
| OP3 | P | OP2 | HOP2 | 55.3° | 60.0° |
| OP3 | P | O5' | C5' | 178.1° | 60.0° |
| O5' | P | OP2 | HOP2 | 55.2° | 180.0° |
| O5' | P | OP3 | HOP3 | 65.6° | 60.0° |
| P | O5' | C5' | C4' | 178.1° | 180.0° |
| P | O5' | C5' | H5' | 57.6° | 60.1° |
| P | O5' | C5' | H5'' | 61.4° | 60.1° |
| O5' | C5' | C4' | H5' | 120.5° | 120.0° |
| O5' | C5' | C4' | H5'' | 120.4° | 120.0° |
| O5' | C5' | H5' | H5'' | 118.9° | 120.1° |
| O5' | C5' | C4' | O4' | 62.9° | 61.4° |
| O5' | C5' | C4' | C3' | 178.0° | 176.9° |
| O5' | C5' | C4' | H4' | 57.6° | 60.8° |
| C4' | C5' | H5' | H5'' | 119.0° | 119.9° |
| C5' | C4' | O4' | C3' | 121.2° | 119.2° |
| C5' | C4' | O4' | H4' | 120.5° | 122.2° |
| C5' | C4' | C3' | H4' | 120.4° | 122.3° |
| C5' | C4' | O4' | C1' | 133.9° | 159.5° |
| C5' | C4' | C3' | O3' | 126.4° | 98.6° |
| C5' | C4' | C3' | C2' | 114.1° | 142.8° |
| C5' | C4' | C3' | H3' | 3.8° | 24.0° |
| H5' | C5' | C4' | O4' | 176.6° | 178.6° |
| H5' | C5' | C4' | C3' | 57.4° | 63.1° |
| H5' | C5' | C4' | H4' | 62.9° | 59.2° |
| H5'' | C5' | C4' | O4' | 57.6° | 58.6° |
| H5'' | C5' | C4' | C3' | 61.6° | 56.9° |
| H5'' | C5' | C4' | H4' | 178.1° | 179.2° |
| O4' | C4' | C3' | H4' | 118.3° | 118.7° |
| O4' | C4' | C3' | O3' | 112.4° | 142.5° |
| O4' | C4' | C3' | C2' | 7.2° | 23.8° |
| O4' | C4' | C3' | H3' | 125.0° | 94.9° |
| C4' | O4' | C1' | C2' | 27.6° | 40.4° |
| C4' | O4' | C1' | N1A | 147.6° | 159.3° |
| C4' | O4' | C1' | H1' | 89.7° | 78.4° |
| C3' | C4' | O4' | C1' | 12.7° | 40.3° |
| C4' | C3' | O3' | C2' | 115.8° | 114.8° |
| C4' | C3' | O3' | H3' | 122.6° | 122.6° |
| C4' | C3' | C2' | H3' | 117.8° | 118.7° |
| C4' | C3' | O3' | HO3' | 179.9° | 178.1° |
| C4' | C3' | C2' | C1' | 23.3° | 0.1° |
| C4' | C3' | C2' | H2' | 95.0° | 118.5° |
| C4' | C3' | C2' | H2'' | 142.4° | 118.7° |
| H4' | C4' | O4' | C1' | 105.6° | 78.4° |
| H4' | C4' | C3' | O3' | 6.0° | 23.8° |
| H4' | C4' | C3' | C2' | 125.5° | 94.9° |
| H4' | C4' | C3' | H3' | 116.6° | 146.4° |
| O4' | C1' | C2' | C3' | 31.8° | 23.9° |
| O4' | C1' | C2' | N1A | 122.3° | 119.0° |
| O4' | C1' | C2' | H1' | 117.6° | 118.9° |
| O4' | C1' | C2' | H2' | 86.3° | 94.7° |
| O4' | C1' | C2' | H2'' | 151.3° | 142.6° |
| O4' | C1' | N1A | H1' | 122.6° | 122.3° |
| O4' | C1' | N1A | C2A | 49.3° | 154.5° |
| O4' | C1' | N1A | C5A | 135.0° | 25.2° |
| O3' | C3' | C2' | H3' | 121.7° | 122.5° |
| O3' | C3' | C2' | C1' | 97.1° | 118.7° |
| O3' | C3' | C2' | H2' | 144.6° | 122.7° |
| O3' | C3' | C2' | H2'' | 22.0° | 0.0° |
| C2' | C3' | O3' | HO3' | 64.2° | 63.3° |
| C3' | C2' | C1' | H2' | 118.2° | 118.6° |
| C3' | C2' | C1' | H2'' | 119.5° | 118.6° |
| C3' | C2' | H2' | H2'' | 122.8° | 122.7° |
| C3' | C2' | C1' | N1A | 154.1° | 142.9° |
| C3' | C2' | C1' | H1' | 85.8° | 94.9° |
| H3' | C3' | O3' | HO3' | 57.5° | 59.2° |
| H3' | C3' | C2' | C1' | 141.1° | 118.8° |
| H3' | C3' | C2' | H2' | 22.9° | 0.2° |
| H3' | C3' | C2' | H2'' | 99.7° | 122.6° |
| C1' | C2' | H2' | H2'' | 122.2° | 122.7° |
| C2' | C1' | N1A | H1' | 119.7° | 122.2° |
| C2' | C1' | N1A | C2A | 68.4° | 90.0° |
| C2' | C1' | N1A | C5A | 107.2° | 90.3° |
| H2' | C2' | C1' | N1A | 36.0° | 24.3° |
| H2' | C2' | C1' | H1' | 156.0° | 146.5° |
| H2'' | C2' | C1' | N1A | 86.4° | 98.4° |
| H2'' | C2' | C1' | H1' | 33.7° | 23.7° |
| C1' | N1A | C2A | C5A | 176.4° | 179.8° |
| C1' | N1A | C2A | N3A | 176.2° | 180.0° |
| C1' | N1A | C2A | H2A | 3.4° | 0.0° |
| C1' | N1A | C5A | C4A | 176.3° | 179.9° |
| C1' | N1A | C5A | H5A | 3.8° | 0.2° |
| H1' | C1' | N1A | C2A | 171.9° | 32.2° |
| H1' | C1' | N1A | C5A | 12.5° | 147.6° |
| N1A | C2A | N3A | H2A | 179.6° | 180.0° |
| N1A | C2A | N3A | C4A | 0.1° | 0.0° |
| C2A | N1A | C5A | C4A | 0.3° | 0.3° |
| C2A | N1A | C5A | H5A | 179.6° | 180.0° |
| C5A | N1A | C2A | N3A | 0.2° | 0.2° |
| C5A | N1A | C2A | H2A | 179.8° | 179.8° |
| N1A | C5A | C4A | N3A | 0.3° | 0.4° |
| N1A | C5A | C4A | H5A | 179.9° | 179.7° |
| N1A | C5A | C4A | C1B | 177.2° | 179.9° |
| C2A | N3A | C4A | C5A | 0.1° | 0.2° |
| C2A | N3A | C4A | C1B | 177.6° | 180.0° |
| H2A | C2A | N3A | C4A | 179.6° | 180.0° |
| N3A | C4A | C5A | C1B | 177.4° | 179.8° |
| N3A | C4A | C5A | H5A | 179.6° | 180.0° |
| N3A | C4A | C1B | C2B | 13.2° | 40.0° |
| N3A | C4A | C1B | C6B | 164.8° | 140.3° |
| C5A | C4A | C1B | C2B | 169.7° | 140.2° |
| C5A | C4A | C1B | C6B | 12.4° | 39.4° |
| C1B | C4A | C5A | H5A | 3.0° | 0.2° |
| C4A | C1B | C2B | C6B | 178.0° | 179.7° |
| C4A | C1B | C2B | C3B | 178.0° | 179.8° |
| C4A | C1B | C2B | H2B | 1.5° | 0.2° |
| C4A | C1B | C6B | C5B | 178.1° | 180.0° |
| C4A | C1B | C6B | H6B | 1.4° | 0.1° |
| C1B | C2B | C3B | H2B | 179.5° | 179.5° |
| C1B | C2B | C3B | C4B | 0.0° | 0.5° |
| C1B | C2B | C3B | N | 179.4° | 179.7° |
| C2B | C1B | C6B | C5B | 0.1° | 0.3° |
| C2B | C1B | C6B | H6B | 179.4° | 179.8° |
| C6B | C1B | C2B | C3B | 0.1° | 0.6° |
| C6B | C1B | C2B | H2B | 179.4° | 179.9° |
| C1B | C6B | C5B | C4B | 0.1° | 0.0° |
| C1B | C6B | C5B | H6B | 179.6° | 179.9° |
| C1B | C6B | C5B | H5B | 179.9° | 179.9° |
| C2B | C3B | C4B | N | 179.4° | 179.8° |
| C2B | C3B | C4B | C5B | 0.0° | 0.2° |
| C2B | C3B | C4B | H4B | 179.6° | 179.8° |
| C2B | C3B | N | C | 117.6° | 33.5° |
| C2B | C3B | N | HN | 62.1° | 146.4° |
| H2B | C2B | C3B | C4B | 179.5° | 180.0° |
| H2B | C2B | C3B | N | 0.0° | 0.1° |
| C3B | C4B | C5B | H4B | 179.6° | 180.0° |
| C3B | C4B | C5B | C6B | 0.1° | 0.1° |
| C3B | C4B | C5B | H5B | 179.9° | 179.9° |
| C4B | C3B | N | C | 63.0° | 146.7° |
| C4B | C3B | N | HN | 117.3° | 33.4° |
| N | C3B | C4B | C5B | 179.4° | 180.0° |
| N | C3B | C4B | H4B | 0.2° | 0.0° |
| C3B | N | C | HN | 179.7° | 179.9° |
| C3B | N | C | O | 0.2° | 5.7° |
| C3B | N | C | C1C | 179.7° | 174.5° |
| C4B | C5B | C6B | H5B | 179.8° | 179.9° |
| C4B | C5B | C6B | H6B | 179.4° | 179.9° |
| H4B | C4B | C5B | C6B | 179.5° | 179.9° |
| H4B | C4B | C5B | H5B | 0.3° | 0.1° |
| H5B | C5B | C6B | H6B | 0.4° | 0.0° |
| N | C | O | C1C | 179.8° | 179.8° |
| N | C | C1C | C2C | 130.5° | 180.0° |
| N | C | C1C | C6C | 49.4° | 0.2° |
| HN | N | C | O | 179.9° | 174.4° |
| HN | N | C | C1C | 0.1° | 5.4° |
| O | C | C1C | C2C | 49.6° | 0.1° |
| O | C | C1C | C6C | 130.4° | 179.7° |
| C | C1C | C2C | C6C | 180.0° | 179.8° |
| C | C1C | C2C | C3C | 179.9° | 180.0° |
| C | C1C | C2C | H2C | 0.3° | 0.0° |
| C | C1C | C6C | C5C | 179.9° | 179.6° |
| C | C1C | C6C | H6C | 0.2° | 0.2° |
| C1C | C2C | C3C | H2C | 179.8° | 180.0° |
| C1C | C2C | C3C | C4C | 0.0° | 0.1° |
| C1C | C2C | C3C | H3C | 179.9° | 179.9° |
| C2C | C1C | C6C | C5C | 0.1° | 0.6° |
| C2C | C1C | C6C | H6C | 179.8° | 180.0° |
| C6C | C1C | C2C | C3C | 0.0° | 0.2° |
| C6C | C1C | C2C | H2C | 179.7° | 179.8° |
| C1C | C6C | C5C | C4C | 0.0° | 0.7° |
| C1C | C6C | C5C | H6C | 179.9° | 179.4° |
| C1C | C6C | C5C | H5C | 180.0° | 179.8° |
| C2C | C3C | C4C | H3C | 179.9° | 179.9° |
| C2C | C3C | C4C | C5C | 0.1° | 0.0° |
| C2C | C3C | C4C | H4C | 180.0° | 180.0° |
| H2C | C2C | C3C | C4C | 179.8° | 180.0° |
| H2C | C2C | C3C | H3C | 0.3° | 0.1° |
| C3C | C4C | C5C | H4C | 179.9° | 179.9° |
| C3C | C4C | C5C | C6C | 0.1° | 0.4° |
| C3C | C4C | C5C | H5C | 179.9° | 180.0° |
| H3C | C3C | C4C | C5C | 180.0° | 179.9° |
| H3C | C3C | C4C | H4C | 0.2° | 0.1° |
| C4C | C5C | C6C | H5C | 180.0° | 179.6° |
| C4C | C5C | C6C | H6C | 179.9° | 180.0° |
| H4C | C4C | C5C | C6C | 179.9° | 179.7° |
| H4C | C4C | C5C | H5C | 0.1° | 0.1° |
| H5C | C5C | C6C | H6C | 0.1° | 0.4° |
