4DG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | O5' | sing | 1.61Å | 1.52Å | |
| P | OP1 | doub | 1.48Å | 1.48Å | |
| P | OP2 | sing | 1.61Å | 1.51Å | |
| N1 | C2 | sing | 1.36Å | 1.37Å | |
| N1 | C6 | sing | 1.35Å | 1.36Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C2 | N2 | sing | 1.37Å | 1.40Å | |
| C2 | N3 | doub | 1.31Å | 1.36Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| N2 | HN2A | sing | 0.97Å | 1.00Å | |
| N3 | C4 | sing | 1.34Å | 1.36Å | |
| C4 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.35Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.40Å | |
| C5 | N7 | sing | 1.36Å | 1.34Å | Aromatic |
| C6 | O6 | doub | 1.22Å | 1.25Å | |
| N7 | C8 | doub | 1.30Å | 1.35Å | Aromatic |
| C8 | N9 | sing | 1.36Å | 1.35Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N9 | C1' | sing | 1.46Å | 1.43Å | |
| C1' | O4' | sing | 1.43Å | 1.44Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C1' | H1'A | sing | 1.09Å | 1.10Å | |
| C4' | O4' | sing | 1.43Å | 1.44Å | |
| C4' | C5' | sing | 1.53Å | 1.54Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C4' | H4'A | sing | 1.09Å | 1.10Å | |
| C5' | O5' | sing | 1.43Å | 1.34Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'A | sing | 1.09Å | 1.10Å | |
| P | O61 | sing | 1.61Å | 1.51Å | |
| OP2 | H11 | sing | 0.97Å | 0.95Å | |
| O61 | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5' | P | OP1 | 110.3° | 109.5° |
| O5' | P | OP2 | 108.8° | 109.5° |
| P | O5' | C5' | 126.7° | 123.0° |
| O5' | P | O61 | 109.4° | 109.4° |
| OP1 | P | OP2 | 109.5° | 109.5° |
| OP1 | P | O61 | 110.0° | 109.5° |
| OP2 | P | O61 | 108.9° | 109.5° |
| P | OP2 | H11 | 109.5° | 114.0° |
| C2 | N1 | C6 | 121.9° | 120.3° |
| C2 | N1 | HN1 | 119.0° | 119.8° |
| N1 | C2 | N2 | 119.6° | 119.0° |
| N1 | C2 | N3 | 120.1° | 121.9° |
| C6 | N1 | HN1 | 119.0° | 119.8° |
| N1 | C6 | C5 | 118.3° | 118.4° |
| N1 | C6 | O6 | 120.2° | 120.8° |
| N2 | C2 | N3 | 120.2° | 119.1° |
| C2 | N2 | HN2 | 120.0° | 120.0° |
| C2 | N2 | HN2A | 120.0° | 120.0° |
| C2 | N3 | C4 | 119.7° | 121.1° |
| HN2 | N2 | HN2A | 120.0° | 120.0° |
| N3 | C4 | C5 | 121.1° | 119.7° |
| N3 | C4 | N9 | 131.5° | 134.2° |
| C5 | C4 | N9 | 107.4° | 106.1° |
| C4 | C5 | C6 | 118.9° | 118.6° |
| C4 | C5 | N7 | 109.2° | 107.2° |
| C4 | N9 | C8 | 106.2° | 107.5° |
| C4 | N9 | C1' | 127.8° | 126.2° |
| C6 | C5 | N7 | 131.9° | 134.2° |
| C5 | C6 | O6 | 121.5° | 120.8° |
| C5 | N7 | C8 | 105.5° | 109.3° |
| N7 | C8 | N9 | 111.6° | 109.8° |
| N7 | C8 | H8 | 124.2° | 125.0° |
| N9 | C8 | H8 | 124.2° | 125.2° |
| C8 | N9 | C1' | 126.0° | 126.2° |
| N9 | C1' | O4' | 109.2° | 109.5° |
| N9 | C1' | H1' | 109.6° | 109.5° |
| N9 | C1' | H1'A | 109.6° | 109.5° |
| O4' | C1' | H1' | 109.6° | 109.4° |
| O4' | C1' | H1'A | 109.6° | 109.5° |
| C1' | O4' | C4' | 116.0° | 114.0° |
| H1' | C1' | H1'A | 109.3° | 109.5° |
| O4' | C4' | C5' | 112.9° | 109.5° |
| O4' | C4' | H4' | 108.3° | 109.4° |
| O4' | C4' | H4'A | 108.3° | 109.4° |
| C5' | C4' | H4' | 108.3° | 109.5° |
| C5' | C4' | H4'A | 108.4° | 109.5° |
| C4' | C5' | O5' | 109.4° | 109.5° |
| C4' | C5' | H5' | 109.5° | 109.4° |
| C4' | C5' | H5'A | 109.5° | 109.4° |
| H4' | C4' | H4'A | 110.6° | 109.5° |
| O5' | C5' | H5' | 109.5° | 109.5° |
| O5' | C5' | H5'A | 109.5° | 109.5° |
| H5' | C5' | H5'A | 109.4° | 109.5° |
| P | O61 | H12 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5' | P | OP1 | OP2 | 119.7° | 120.0° |
| O5' | P | OP1 | O61 | 120.7° | 120.0° |
| O5' | P | OP2 | O61 | 119.2° | 120.0° |
| P | O5' | C5' | C4' | 179.0° | 180.0° |
| P | O5' | C5' | H5' | 60.9° | 60.0° |
| P | O5' | C5' | H5'A | 59.1° | 60.0° |
| O5' | P | OP2 | H11 | 120.5° | 59.9° |
| O5' | P | O61 | H12 | 121.2° | 180.0° |
| OP1 | P | OP2 | O61 | 120.3° | 120.0° |
| OP1 | P | O5' | C5' | 59.1° | 55.0° |
| OP1 | P | OP2 | H11 | 0.0° | 180.0° |
| OP1 | P | O61 | H12 | 0.0° | 60.0° |
| OP2 | P | O5' | C5' | 179.2° | 65.0° |
| OP2 | P | O61 | H12 | 120.0° | 60.0° |
| C2 | N1 | C6 | HN1 | 180.0° | 179.7° |
| N1 | C2 | N2 | N3 | 179.5° | 180.0° |
| N1 | C2 | N2 | HN2 | 179.5° | 0.0° |
| N1 | C2 | N2 | HN2A | 0.5° | 179.9° |
| N1 | C2 | N3 | C4 | 0.7° | 0.0° |
| C2 | N1 | C6 | C5 | 0.1° | 0.1° |
| C2 | N1 | C6 | O6 | 179.8° | 180.0° |
| C6 | N1 | C2 | N2 | 178.4° | 179.9° |
| C6 | N1 | C2 | N3 | 1.1° | 0.0° |
| N1 | C6 | C5 | C4 | 1.2° | 0.1° |
| N1 | C6 | C5 | O6 | 179.9° | 179.9° |
| N1 | C6 | C5 | N7 | 179.1° | 180.0° |
| HN1 | N1 | C2 | N2 | 1.6° | 0.3° |
| HN1 | N1 | C2 | N3 | 178.9° | 179.7° |
| HN1 | N1 | C6 | C5 | 179.9° | 179.7° |
| HN1 | N1 | C6 | O6 | 0.2° | 0.4° |
| C2 | N2 | HN2 | HN2A | 180.0° | 179.9° |
| N2 | C2 | N3 | C4 | 178.8° | 180.0° |
| N3 | C2 | N2 | HN2 | 0.0° | 180.0° |
| N3 | C2 | N2 | HN2A | 180.0° | 0.0° |
| C2 | N3 | C4 | C5 | 0.6° | 0.0° |
| C2 | N3 | C4 | N9 | 179.3° | 180.0° |
| N3 | C4 | C5 | N9 | 179.9° | 180.0° |
| N3 | C4 | C5 | C6 | 1.6° | 0.0° |
| N3 | C4 | C5 | N7 | 178.6° | 180.0° |
| N3 | C4 | N9 | C8 | 178.2° | 180.0° |
| N3 | C4 | N9 | C1' | 2.7° | 0.0° |
| C4 | C5 | C6 | N7 | 179.7° | 180.0° |
| C4 | C5 | C6 | O6 | 178.9° | 180.0° |
| C4 | C5 | N7 | C8 | 0.4° | 0.0° |
| C5 | C4 | N9 | C8 | 1.9° | 0.0° |
| C5 | C4 | N9 | C1' | 177.2° | 180.0° |
| N9 | C4 | C5 | C6 | 178.3° | 180.0° |
| N9 | C4 | C5 | N7 | 1.4° | 0.0° |
| C4 | N9 | C8 | N7 | 1.7° | 0.0° |
| C4 | N9 | C8 | C1' | 179.1° | 180.0° |
| C4 | N9 | C8 | H8 | 178.3° | 179.9° |
| C4 | N9 | C1' | O4' | 115.9° | 179.9° |
| C4 | N9 | C1' | H1' | 124.1° | 60.0° |
| C4 | N9 | C1' | H1'A | 4.1° | 60.0° |
| C6 | C5 | N7 | C8 | 179.3° | 180.0° |
| N7 | C5 | C6 | O6 | 0.8° | 0.1° |
| C5 | N7 | C8 | N9 | 0.8° | 0.0° |
| C5 | N7 | C8 | H8 | 179.2° | 179.9° |
| N7 | C8 | N9 | H8 | 180.0° | 179.9° |
| N7 | C8 | N9 | C1' | 177.4° | 180.0° |
| C8 | N9 | C1' | O4' | 65.2° | 0.0° |
| C8 | N9 | C1' | H1' | 54.8° | 120.0° |
| C8 | N9 | C1' | H1'A | 174.8° | 120.0° |
| H8 | C8 | N9 | C1' | 2.6° | 0.0° |
| N9 | C1' | O4' | H1' | 120.0° | 120.0° |
| N9 | C1' | O4' | H1'A | 120.0° | 120.0° |
| N9 | C1' | H1' | H1'A | 120.1° | 120.0° |
| N9 | C1' | O4' | C4' | 176.2° | 180.0° |
| O4' | C1' | H1' | H1'A | 120.1° | 120.0° |
| C1' | O4' | C4' | C5' | 86.5° | 180.0° |
| C1' | O4' | C4' | H4' | 33.6° | 60.0° |
| C1' | O4' | C4' | H4'A | 153.5° | 60.0° |
| H1' | C1' | O4' | C4' | 63.8° | 60.0° |
| H1'A | C1' | O4' | C4' | 56.2° | 60.0° |
| O4' | C4' | C5' | H4' | 120.0° | 120.0° |
| O4' | C4' | C5' | H4'A | 120.0° | 120.0° |
| O4' | C4' | H4' | H4'A | 118.6° | 119.9° |
| O4' | C4' | C5' | O5' | 178.6° | 65.0° |
| O4' | C4' | C5' | H5' | 58.6° | 175.0° |
| O4' | C4' | C5' | H5'A | 61.4° | 55.0° |
| C5' | C4' | H4' | H4'A | 118.6° | 120.1° |
| C4' | C5' | O5' | H5' | 120.0° | 120.0° |
| C4' | C5' | O5' | H5'A | 120.0° | 120.0° |
| C4' | C5' | H5' | H5'A | 120.0° | 119.9° |
| H4' | C4' | C5' | O5' | 61.4° | 55.0° |
| H4' | C4' | C5' | H5' | 178.6° | 65.0° |
| H4' | C4' | C5' | H5'A | 58.6° | 175.0° |
| H4'A | C4' | C5' | O5' | 58.6° | 175.0° |
| H4'A | C4' | C5' | H5' | 61.4° | 55.0° |
| H4'A | C4' | C5' | H5'A | 178.6° | 65.0° |
| O5' | C5' | H5' | H5'A | 120.0° | 120.1° |
| C5' | O5' | P | O61 | 62.0° | 175.0° |
| O61 | P | OP2 | H11 | 120.3° | 60.0° |
