4DU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OP2 | P | doub | 1.48Å | 1.66Å | |
| OP1 | P | sing | 1.61Å | 1.65Å | |
| P | O5' | sing | 1.61Å | 1.71Å | |
| O5' | C5' | sing | 1.43Å | 1.41Å | |
| C5' | C4' | sing | 1.53Å | 1.52Å | |
| N7 | C8 | doub | 1.30Å | 1.35Å | Aromatic |
| N7 | C5 | sing | 1.36Å | 1.35Å | Aromatic |
| C8 | N9 | sing | 1.36Å | 1.35Å | Aromatic |
| N6 | C6 | sing | 1.39Å | 1.36Å | |
| C3' | C4' | sing | 1.55Å | 1.51Å | |
| C3' | O3' | sing | 1.43Å | 1.42Å | |
| C3' | C2' | sing | 1.55Å | 1.52Å | |
| C4' | O4' | sing | 1.44Å | 1.43Å | |
| C5 | C6 | doub | 1.40Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.39Å | Aromatic |
| O4' | C1' | sing | 1.44Å | 1.44Å | |
| N9 | C1' | sing | 1.46Å | 1.49Å | |
| N9 | C4 | sing | 1.37Å | 1.33Å | Aromatic |
| C6 | N1 | sing | 1.32Å | 1.36Å | Aromatic |
| C2' | C1' | sing | 1.54Å | 1.51Å | |
| C4 | C3 | doub | 1.39Å | 1.30Å | Aromatic |
| N1 | C2 | doub | 1.32Å | 1.35Å | Aromatic |
| C3 | C2 | sing | 1.37Å | 1.30Å | Aromatic |
| P | O1 | sing | 1.61Å | 1.62Å | |
| OP1 | H1T | sing | 0.97Å | 0.95Å | |
| C5' | H2 | sing | 1.09Å | 1.10Å | |
| C5' | H3 | sing | 1.09Å | 1.10Å | |
| C4' | H4 | sing | 1.09Å | 1.10Å | |
| C3' | H5 | sing | 1.09Å | 1.10Å | |
| O3' | H6 | sing | 0.97Å | 0.95Å | |
| C2' | H7 | sing | 1.09Å | 1.10Å | |
| C2' | H8 | sing | 1.09Å | 1.10Å | |
| C1' | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H10 | sing | 1.08Å | 1.08Å | |
| C2 | H11 | sing | 1.08Å | 1.08Å | |
| N6 | H12 | sing | 0.97Å | 1.00Å | |
| N6 | H13 | sing | 0.97Å | 1.00Å | |
| C8 | H14 | sing | 1.08Å | 1.08Å | |
| O1 | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OP2 | P | OP1 | 124.2° | 109.5° |
| OP2 | P | O5' | 117.6° | 109.4° |
| OP2 | P | O1 | 100.2° | 109.4° |
| OP1 | P | O5' | 115.7° | 109.5° |
| OP1 | P | O1 | 92.7° | 109.5° |
| P | OP1 | H1T | 109.5° | 114.0° |
| P | O5' | C5' | 122.6° | 123.0° |
| O5' | P | O1 | 92.3° | 109.5° |
| O5' | C5' | C4' | 103.2° | 109.5° |
| O5' | C5' | H2 | 111.0° | 109.4° |
| O5' | C5' | H3 | 111.0° | 109.5° |
| C5' | C4' | C3' | 110.9° | 110.6° |
| C5' | C4' | O4' | 111.1° | 110.7° |
| C4' | C5' | H2 | 111.0° | 109.4° |
| C4' | C5' | H3 | 111.0° | 109.5° |
| C5' | C4' | H4 | 110.0° | 110.5° |
| C8 | N7 | C5 | 106.7° | 109.6° |
| N7 | C8 | N9 | 109.6° | 110.0° |
| N7 | C8 | H14 | 125.2° | 125.0° |
| N7 | C5 | C6 | 133.2° | 134.5° |
| N7 | C5 | C4 | 108.3° | 106.9° |
| C8 | N9 | C1' | 125.1° | 126.3° |
| C8 | N9 | C4 | 108.7° | 107.3° |
| N9 | C8 | H14 | 125.2° | 125.0° |
| N6 | C6 | C5 | 120.1° | 120.0° |
| N6 | C6 | N1 | 121.9° | 120.0° |
| C6 | N6 | H12 | 109.5° | 120.0° |
| C6 | N6 | H13 | 109.5° | 120.0° |
| C4' | C3' | O3' | 109.4° | 110.9° |
| C4' | C3' | C2' | 103.4° | 102.1° |
| C3' | C4' | O4' | 103.3° | 103.5° |
| C3' | C4' | H4 | 110.1° | 110.7° |
| C4' | C3' | H5 | 109.6° | 110.9° |
| O3' | C3' | C2' | 113.6° | 110.9° |
| O3' | C3' | H5 | 110.9° | 110.8° |
| C3' | O3' | H6 | 109.5° | 114.0° |
| C3' | C2' | C1' | 102.4° | 104.2° |
| C2' | C3' | H5 | 109.6° | 111.0° |
| C3' | C2' | H7 | 111.2° | 110.5° |
| C3' | C2' | H8 | 111.2° | 110.5° |
| C4' | O4' | C1' | 109.5° | 107.0° |
| O4' | C4' | H4 | 111.4° | 110.6° |
| C6 | C5 | C4 | 118.5° | 118.6° |
| C5 | C6 | N1 | 118.0° | 119.9° |
| C5 | C4 | N9 | 106.7° | 106.2° |
| C5 | C4 | C3 | 120.1° | 118.6° |
| O4' | C1' | N9 | 109.9° | 110.0° |
| O4' | C1' | C2' | 107.5° | 107.3° |
| O4' | C1' | H9 | 110.3° | 109.9° |
| C1' | N9 | C4 | 126.2° | 126.4° |
| N9 | C1' | C2' | 110.4° | 109.9° |
| N9 | C1' | H9 | 109.6° | 109.8° |
| N9 | C4 | C3 | 133.2° | 135.2° |
| C6 | N1 | C2 | 120.0° | 122.3° |
| C1' | C2' | H7 | 111.2° | 110.5° |
| C1' | C2' | H8 | 111.2° | 110.5° |
| C2' | C1' | H9 | 109.2° | 109.9° |
| C4 | C3 | C2 | 121.8° | 119.1° |
| C4 | C3 | H10 | 119.1° | 120.5° |
| N1 | C2 | C3 | 121.5° | 121.5° |
| N1 | C2 | H11 | 119.3° | 119.2° |
| C2 | C3 | H10 | 119.1° | 120.4° |
| C3 | C2 | H11 | 119.3° | 119.3° |
| P | O1 | H15 | 109.5° | 114.0° |
| H2 | C5' | H3 | 109.5° | 109.5° |
| H7 | C2' | H8 | 109.4° | 110.5° |
| H12 | N6 | H13 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP2 | P | OP1 | O5' | 161.9° | 120.0° |
| OP2 | P | OP1 | O1 | 104.2° | 120.0° |
| OP2 | P | O5' | O1 | 102.8° | 119.9° |
| OP2 | P | O5' | C5' | 173.7° | 55.0° |
| OP2 | P | OP1 | H1T | 0.0° | 180.0° |
| OP2 | P | O1 | H15 | 0.0° | 60.1° |
| OP1 | P | O5' | O1 | 94.1° | 120.0° |
| OP1 | P | O5' | C5' | 10.6° | 65.0° |
| OP1 | P | O1 | H15 | 125.5° | 60.0° |
| P | O5' | C5' | C4' | 174.0° | 179.9° |
| O5' | P | OP1 | H1T | 161.8° | 60.0° |
| P | O5' | C5' | H2 | 54.9° | 60.0° |
| P | O5' | C5' | H3 | 67.1° | 60.0° |
| O5' | P | O1 | H15 | 118.6° | 180.0° |
| O5' | C5' | C4' | H2 | 119.0° | 119.9° |
| O5' | C5' | C4' | H3 | 119.0° | 120.0° |
| O5' | C5' | C4' | C3' | 69.4° | 179.5° |
| O5' | C5' | C4' | O4' | 44.8° | 66.4° |
| C5' | O5' | P | O1 | 83.5° | 175.0° |
| O5' | C5' | H2 | H3 | 122.9° | 120.0° |
| O5' | C5' | C4' | H4 | 168.6° | 56.5° |
| C5' | C4' | C3' | O4' | 119.0° | 118.6° |
| C5' | C4' | C3' | H4 | 122.0° | 122.9° |
| C5' | C4' | C3' | O3' | 82.0° | 86.3° |
| C5' | C4' | C3' | C2' | 156.7° | 155.6° |
| C5' | C4' | O4' | H4 | 123.0° | 122.8° |
| C5' | C4' | O4' | C1' | 147.4° | 158.5° |
| C4' | C5' | H2 | H3 | 122.9° | 120.0° |
| C5' | C4' | C3' | H5 | 39.9° | 37.3° |
| N7 | C8 | N9 | H14 | 180.0° | 179.7° |
| C8 | N7 | C5 | C6 | 179.5° | 179.8° |
| C8 | N7 | C5 | C4 | 0.1° | 0.2° |
| N7 | C8 | N9 | C1' | 179.4° | 179.8° |
| N7 | C8 | N9 | C4 | 0.3° | 0.4° |
| C5 | N7 | C8 | N9 | 0.1° | 0.4° |
| N7 | C5 | C6 | N6 | 0.8° | 0.0° |
| N7 | C5 | C6 | C4 | 179.6° | 180.0° |
| N7 | C5 | C4 | N9 | 0.2° | 0.0° |
| N7 | C5 | C6 | N1 | 180.0° | 180.0° |
| N7 | C5 | C4 | C3 | 180.0° | 180.0° |
| C5 | N7 | C8 | H14 | 179.9° | 180.0° |
| C8 | N9 | C4 | C5 | 0.3° | 0.2° |
| C8 | N9 | C1' | O4' | 15.3° | 22.7° |
| C8 | N9 | C1' | C4 | 179.6° | 179.8° |
| C8 | N9 | C1' | C2' | 103.0° | 95.3° |
| C8 | N9 | C4 | C3 | 180.0° | 179.8° |
| C8 | N9 | C1' | H9 | 136.6° | 143.7° |
| N6 | C6 | C5 | N1 | 179.1° | 180.0° |
| N6 | C6 | C5 | C4 | 179.6° | 180.0° |
| N6 | C6 | N1 | C2 | 179.4° | 180.0° |
| C6 | N6 | H12 | H13 | 120.0° | 179.9° |
| C4' | C3' | O3' | C2' | 114.9° | 112.7° |
| C4' | C3' | O3' | H5 | 121.1° | 123.6° |
| C4' | C3' | C2' | H5 | 116.8° | 118.2° |
| C3' | C4' | O4' | H4 | 118.1° | 118.6° |
| C3' | C4' | O4' | C1' | 28.5° | 40.0° |
| C4' | C3' | C2' | C1' | 32.2° | 20.9° |
| C3' | C4' | C5' | H2 | 49.6° | 60.6° |
| C3' | C4' | C5' | H3 | 171.6° | 59.5° |
| C4' | C3' | O3' | H6 | 180.0° | 180.0° |
| C4' | C3' | C2' | H7 | 151.1° | 139.5° |
| C4' | C3' | C2' | H8 | 86.7° | 97.8° |
| O3' | C3' | C2' | H5 | 124.7° | 123.6° |
| O3' | C3' | C4' | O4' | 159.0° | 155.2° |
| O3' | C3' | C2' | C1' | 150.7° | 139.1° |
| O3' | C3' | C4' | H4 | 40.0° | 36.6° |
| O3' | C3' | C2' | H7 | 90.5° | 102.3° |
| O3' | C3' | C2' | H8 | 31.8° | 20.4° |
| C2' | C3' | C4' | O4' | 37.7° | 37.0° |
| C3' | C2' | C1' | O4' | 15.8° | 2.0° |
| C3' | C2' | C1' | N9 | 104.1° | 121.6° |
| C3' | C2' | C1' | H7 | 118.9° | 118.7° |
| C3' | C2' | C1' | H8 | 118.9° | 118.7° |
| C2' | C3' | C4' | H4 | 81.3° | 81.5° |
| C2' | C3' | O3' | H6 | 65.1° | 67.3° |
| C3' | C2' | H7 | H8 | 123.3° | 122.7° |
| C3' | C2' | C1' | H9 | 135.4° | 117.4° |
| C4' | O4' | C1' | N9 | 128.2° | 146.0° |
| C4' | O4' | C1' | C2' | 8.0° | 26.5° |
| O4' | C4' | C5' | H2 | 163.8° | 53.5° |
| O4' | C4' | C5' | H3 | 74.2° | 173.6° |
| O4' | C4' | C3' | H5 | 79.1° | 81.3° |
| C4' | O4' | C1' | H9 | 110.9° | 93.0° |
| C6 | C5 | C4 | N9 | 179.4° | 180.0° |
| C6 | C5 | C4 | C3 | 0.3° | 0.0° |
| C5 | C6 | N1 | C2 | 0.3° | 0.0° |
| C5 | C6 | N6 | H12 | 179.1° | 180.0° |
| C5 | C6 | N6 | H13 | 60.9° | 0.1° |
| C5 | C4 | N9 | C1' | 179.4° | 180.0° |
| C5 | C4 | N9 | C3 | 179.7° | 180.0° |
| C4 | C5 | C6 | N1 | 0.5° | 0.0° |
| C5 | C4 | C3 | C2 | 0.0° | 0.0° |
| C5 | C4 | C3 | H10 | 180.0° | 180.0° |
| O4' | C1' | N9 | C2' | 118.4° | 117.9° |
| O4' | C1' | N9 | H9 | 121.3° | 121.1° |
| O4' | C1' | N9 | C4 | 164.3° | 157.1° |
| O4' | C1' | C2' | H9 | 119.6° | 119.4° |
| C1' | O4' | C4' | H4 | 89.6° | 78.6° |
| O4' | C1' | C2' | H7 | 134.6° | 116.7° |
| O4' | C1' | C2' | H8 | 103.1° | 120.7° |
| N9 | C1' | C2' | H9 | 120.6° | 121.0° |
| C1' | N9 | C4 | C3 | 0.3° | 0.0° |
| N9 | C1' | C2' | H7 | 14.8° | 2.9° |
| N9 | C1' | C2' | H8 | 137.1° | 119.7° |
| C1' | N9 | C8 | H14 | 0.5° | 0.2° |
| C4 | N9 | C1' | C2' | 77.3° | 85.0° |
| N9 | C4 | C3 | C2 | 179.7° | 179.9° |
| C4 | N9 | C1' | H9 | 43.0° | 36.1° |
| N9 | C4 | C3 | H10 | 0.3° | 0.1° |
| C4 | N9 | C8 | H14 | 179.8° | 180.0° |
| C6 | N1 | C2 | C3 | 0.1° | 0.0° |
| C6 | N1 | C2 | H11 | 179.9° | 179.9° |
| N1 | C6 | N6 | H12 | 0.0° | 0.0° |
| N1 | C6 | N6 | H13 | 120.0° | 180.0° |
| C1' | C2' | C3' | H5 | 84.6° | 97.4° |
| C1' | C2' | H7 | H8 | 123.3° | 122.6° |
| C4 | C3 | C2 | N1 | 0.3° | 0.0° |
| C4 | C3 | C2 | H10 | 180.0° | 180.0° |
| C4 | C3 | C2 | H11 | 179.7° | 180.0° |
| N1 | C2 | C3 | H11 | 180.0° | 179.9° |
| N1 | C2 | C3 | H10 | 179.7° | 179.9° |
| O1 | P | OP1 | H1T | 104.3° | 60.0° |
| H2 | C5' | C4' | H4 | 72.4° | 176.4° |
| H3 | C5' | C4' | H4 | 49.6° | 63.5° |
| H4 | C4' | C3' | H5 | 161.9° | 160.2° |
| H5 | C3' | O3' | H6 | 58.9° | 56.4° |
| H5 | C3' | C2' | H7 | 34.2° | 21.3° |
| H5 | C3' | C2' | H8 | 156.5° | 144.0° |
| H7 | C2' | C1' | H9 | 105.8° | 123.9° |
| H8 | C2' | C1' | H9 | 16.5° | 1.3° |
| H10 | C3 | C2 | H11 | 0.3° | 0.0° |
