ZDA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1G | PG | doub | 1.48Å | 1.51Å | |
| O3G | PG | sing | 1.61Å | 1.53Å | |
| O1B | PB | doub | 1.48Å | 1.51Å | |
| PG | O2G | sing | 1.61Å | 1.51Å | |
| PG | O3B | sing | 1.61Å | 1.61Å | |
| O3B | PB | sing | 1.61Å | 1.60Å | |
| PB | O2B | sing | 1.61Å | 1.50Å | |
| PB | O3A | sing | 1.61Å | 1.57Å | |
| O1A | PA | doub | 1.48Å | 1.50Å | |
| O3A | PA | sing | 1.61Å | 1.57Å | |
| PA | O2A | sing | 1.61Å | 1.53Å | |
| PA | O3' | sing | 1.61Å | 1.60Å | |
| C2' | C3' | sing | 1.55Å | 1.31Å | |
| C2' | C1' | sing | 1.55Å | 1.57Å | |
| C3' | O3' | sing | 1.43Å | 1.42Å | |
| C3' | C4' | sing | 1.54Å | 1.64Å | |
| C8 | N7 | doub | 1.30Å | 1.34Å | Aromatic |
| C8 | N9 | sing | 1.36Å | 1.35Å | Aromatic |
| N7 | C5 | sing | 1.35Å | 1.36Å | Aromatic |
| N9 | C1' | sing | 1.47Å | 1.44Å | |
| N9 | C4 | sing | 1.37Å | 1.34Å | Aromatic |
| C1' | O4' | sing | 1.44Å | 1.52Å | |
| C5 | C4 | doub | 1.40Å | 1.37Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.41Å | Aromatic |
| N6 | C6 | sing | 1.38Å | 1.45Å | |
| C4 | N3 | sing | 1.33Å | 1.37Å | Aromatic |
| C6 | N1 | doub | 1.33Å | 1.34Å | Aromatic |
| C4' | O4' | sing | 1.44Å | 1.31Å | |
| C4' | C5' | sing | 1.53Å | 1.60Å | |
| N3 | C2 | doub | 1.32Å | 1.33Å | Aromatic |
| N1 | C2 | sing | 1.32Å | 1.34Å | Aromatic |
| C2' | H1 | sing | 1.09Å | 1.10Å | |
| C2' | H2 | sing | 1.09Å | 1.10Å | |
| C5' | H3 | sing | 1.09Å | 1.10Å | |
| C5' | H4 | sing | 1.09Å | 1.10Å | |
| C5' | H5 | sing | 1.09Å | 1.10Å | |
| C4' | H6 | sing | 1.09Å | 1.10Å | |
| C1' | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N6 | H9 | sing | 0.97Å | 1.00Å | |
| N6 | H10 | sing | 0.97Å | 1.00Å | |
| C2 | H11 | sing | 1.08Å | 1.08Å | |
| C3' | H12 | sing | 1.09Å | 1.10Å | |
| O2A | H13 | sing | 0.97Å | 0.95Å | |
| O2B | H14 | sing | 0.97Å | 0.95Å | |
| O2G | H15 | sing | 0.97Å | 0.95Å | |
| O3G | H16 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1G | PG | O3G | 110.5° | 109.5° |
| O1G | PG | O2G | 113.3° | 109.5° |
| O1G | PG | O3B | 107.3° | 109.5° |
| O3G | PG | O2G | 110.5° | 109.4° |
| O3G | PG | O3B | 110.6° | 109.5° |
| PG | O3G | H16 | 109.5° | 114.0° |
| O1B | PB | O3B | 112.1° | 109.5° |
| O1B | PB | O2B | 112.1° | 109.5° |
| O1B | PB | O3A | 114.1° | 109.5° |
| O2G | PG | O3B | 104.6° | 109.5° |
| PG | O2G | H15 | 109.5° | 114.0° |
| PG | O3B | PB | 128.8° | 134.0° |
| O3B | PB | O2B | 109.6° | 109.5° |
| O3B | PB | O3A | 100.9° | 109.5° |
| O2B | PB | O3A | 107.4° | 109.5° |
| PB | O2B | H14 | 109.5° | 114.0° |
| PB | O3A | PA | 129.0° | 134.0° |
| O1A | PA | O3A | 108.3° | 109.5° |
| O1A | PA | O2A | 113.7° | 109.4° |
| O1A | PA | O3' | 110.3° | 109.5° |
| O3A | PA | O2A | 112.4° | 109.5° |
| O3A | PA | O3' | 104.6° | 109.5° |
| O2A | PA | O3' | 107.1° | 109.5° |
| PA | O2A | H13 | 109.5° | 114.0° |
| PA | O3' | C3' | 119.8° | 123.0° |
| C3' | C2' | C1' | 105.3° | 102.1° |
| C2' | C3' | O3' | 109.4° | 110.5° |
| C2' | C3' | C4' | 105.5° | 104.2° |
| C3' | C2' | H1 | 110.5° | 110.9° |
| C3' | C2' | H2 | 110.5° | 110.9° |
| C2' | C3' | H12 | 112.8° | 110.5° |
| C2' | C1' | N9 | 123.2° | 110.6° |
| C2' | C1' | O4' | 100.8° | 103.5° |
| C1' | C2' | H1 | 110.5° | 110.9° |
| C1' | C2' | H2 | 110.5° | 110.9° |
| C2' | C1' | H7 | 108.8° | 110.6° |
| O3' | C3' | C4' | 110.2° | 110.5° |
| O3' | C3' | H12 | 110.8° | 110.5° |
| C3' | C4' | O4' | 104.5° | 107.3° |
| C3' | C4' | C5' | 111.4° | 109.9° |
| C3' | C4' | H6 | 107.6° | 110.0° |
| C4' | C3' | H12 | 108.0° | 110.6° |
| N7 | C8 | N9 | 108.7° | 109.9° |
| C8 | N7 | C5 | 108.1° | 109.4° |
| N7 | C8 | H8 | 125.7° | 125.0° |
| C8 | N9 | C1' | 128.5° | 126.2° |
| C8 | N9 | C4 | 108.2° | 107.5° |
| N9 | C8 | H8 | 125.6° | 125.1° |
| N7 | C5 | C4 | 106.9° | 107.2° |
| N7 | C5 | C6 | 135.7° | 134.6° |
| C1' | N9 | C4 | 123.2° | 126.3° |
| N9 | C1' | O4' | 103.1° | 110.6° |
| N9 | C1' | H7 | 110.5° | 110.7° |
| N9 | C4 | C5 | 108.1° | 106.0° |
| N9 | C4 | N3 | 131.4° | 134.9° |
| C1' | O4' | C4' | 99.8° | 107.0° |
| O4' | C1' | H7 | 109.3° | 110.6° |
| C4 | C5 | C6 | 117.4° | 118.2° |
| C5 | C4 | N3 | 120.5° | 119.1° |
| C5 | C6 | N6 | 120.9° | 120.8° |
| C5 | C6 | N1 | 120.4° | 118.4° |
| N6 | C6 | N1 | 118.7° | 120.8° |
| C6 | N6 | H9 | 109.5° | 120.0° |
| C6 | N6 | H10 | 109.5° | 120.0° |
| C4 | N3 | C2 | 120.0° | 120.7° |
| C6 | N1 | C2 | 120.2° | 121.2° |
| O4' | C4' | C5' | 113.1° | 109.9° |
| O4' | C4' | H6 | 112.2° | 109.9° |
| C4' | C5' | H3 | 109.5° | 109.4° |
| C4' | C5' | H4 | 109.5° | 109.5° |
| C4' | C5' | H5 | 109.5° | 109.5° |
| C5' | C4' | H6 | 108.0° | 109.9° |
| N3 | C2 | N1 | 121.5° | 122.4° |
| N3 | C2 | H11 | 119.3° | 118.8° |
| N1 | C2 | H11 | 119.3° | 118.8° |
| H1 | C2' | H2 | 109.5° | 110.8° |
| H3 | C5' | H4 | 109.5° | 109.5° |
| H3 | C5' | H5 | 109.4° | 109.5° |
| H4 | C5' | H5 | 109.5° | 109.5° |
| H9 | N6 | H10 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1G | PG | O3G | O2G | 126.1° | 120.0° |
| O1G | PG | O3G | O3B | 118.6° | 120.0° |
| O1G | PG | O2G | O3B | 116.4° | 120.0° |
| O1G | PG | O3B | PB | 82.8° | 40.0° |
| O1G | PG | O2G | H15 | 0.0° | 180.0° |
| O1G | PG | O3G | H16 | 0.0° | 60.0° |
| O3G | PG | O2G | O3B | 119.0° | 120.0° |
| O3G | PG | O3B | PB | 37.7° | 160.0° |
| O3G | PG | O2G | H15 | 124.6° | 60.1° |
| O1B | PB | O3B | PG | 4.8° | 45.0° |
| O1B | PB | O3B | O2B | 125.1° | 120.0° |
| O1B | PB | O3B | O3A | 121.9° | 120.0° |
| O1B | PB | O2B | O3A | 126.1° | 120.0° |
| O1B | PB | O3A | PA | 56.3° | 40.0° |
| O1B | PB | O2B | H14 | 0.0° | 179.9° |
| O2G | PG | O3B | PB | 156.7° | 80.0° |
| O2G | PG | O3G | H16 | 126.1° | 60.0° |
| PG | O3B | PB | O2B | 129.9° | 75.0° |
| PG | O3B | PB | O3A | 117.0° | 165.0° |
| O3B | PG | O2G | H15 | 116.4° | 60.0° |
| O3B | PG | O3G | H16 | 118.6° | 180.0° |
| O3B | PB | O2B | O3A | 108.8° | 120.0° |
| O3B | PB | O3A | PA | 64.1° | 160.0° |
| O3B | PB | O2B | H14 | 125.1° | 60.0° |
| O2B | PB | O3A | PA | 178.8° | 80.0° |
| PB | O3A | PA | O1A | 42.3° | 40.0° |
| PB | O3A | PA | O2A | 84.2° | 80.0° |
| PB | O3A | PA | O3' | 159.9° | 160.0° |
| O3A | PB | O2B | H14 | 126.1° | 60.0° |
| O1A | PA | O3A | O2A | 126.5° | 119.9° |
| O1A | PA | O3A | O3' | 117.6° | 120.0° |
| O1A | PA | O2A | O3' | 122.1° | 120.0° |
| O1A | PA | O3' | C3' | 78.4° | 55.0° |
| O1A | PA | O2A | H13 | 0.0° | 180.0° |
| O3A | PA | O2A | O3' | 114.4° | 120.0° |
| O3A | PA | O3' | C3' | 37.9° | 175.0° |
| O3A | PA | O2A | H13 | 123.5° | 60.1° |
| O2A | PA | O3' | C3' | 157.4° | 65.0° |
| PA | O3' | C3' | C2' | 104.5° | 121.5° |
| PA | O3' | C3' | C4' | 139.9° | 123.8° |
| PA | O3' | C3' | H12 | 20.4° | 1.1° |
| O3' | PA | O2A | H13 | 122.1° | 59.9° |
| C3' | C2' | C1' | H1 | 119.3° | 118.2° |
| C3' | C2' | C1' | H2 | 119.4° | 118.2° |
| C2' | C3' | O3' | C4' | 115.6° | 114.7° |
| C2' | C3' | O3' | H12 | 125.0° | 122.6° |
| C2' | C3' | C4' | H12 | 120.8° | 118.7° |
| C3' | C2' | C1' | N9 | 145.8° | 155.5° |
| C3' | C2' | C1' | O4' | 32.3° | 37.1° |
| C2' | C3' | C4' | O4' | 25.3° | 2.0° |
| C2' | C3' | C4' | C5' | 147.8° | 121.5° |
| C3' | C2' | H1 | H2 | 121.9° | 123.6° |
| C2' | C3' | C4' | H6 | 94.1° | 117.5° |
| C3' | C2' | C1' | H7 | 82.6° | 81.5° |
| C1' | C2' | C3' | O3' | 111.7° | 97.7° |
| C1' | C2' | C3' | C4' | 6.8° | 20.9° |
| C2' | C1' | N9 | C8 | 65.3° | 94.7° |
| C2' | C1' | N9 | O4' | 112.4° | 114.0° |
| C2' | C1' | N9 | H7 | 130.9° | 122.9° |
| C2' | C1' | N9 | C4 | 109.5° | 85.0° |
| C2' | C1' | O4' | H7 | 114.4° | 118.5° |
| C2' | C1' | O4' | C4' | 48.2° | 40.1° |
| C1' | C2' | H1 | H2 | 121.9° | 123.7° |
| C1' | C2' | C3' | H12 | 124.5° | 139.7° |
| O3' | C3' | C4' | H12 | 121.2° | 122.7° |
| O3' | C3' | C4' | O4' | 143.3° | 120.7° |
| O3' | C3' | C4' | C5' | 94.2° | 119.9° |
| O3' | C3' | C2' | H1 | 129.0° | 20.4° |
| O3' | C3' | C2' | H2 | 7.7° | 144.0° |
| O3' | C3' | C4' | H6 | 23.9° | 1.2° |
| C3' | C4' | O4' | C1' | 44.0° | 26.5° |
| C3' | C4' | O4' | C5' | 121.4° | 119.4° |
| C3' | C4' | O4' | H6 | 116.2° | 119.6° |
| C3' | C4' | C5' | H6 | 117.9° | 121.1° |
| C4' | C3' | C2' | H1 | 112.5° | 139.1° |
| C4' | C3' | C2' | H2 | 126.2° | 97.3° |
| C3' | C4' | C5' | H3 | 180.0° | 179.3° |
| C3' | C4' | C5' | H4 | 60.0° | 60.7° |
| C3' | C4' | C5' | H5 | 60.0° | 59.3° |
| N7 | C8 | N9 | H8 | 180.0° | 180.0° |
| N7 | C8 | N9 | C1' | 177.1° | 180.0° |
| N7 | C8 | N9 | C4 | 1.6° | 0.3° |
| C8 | N7 | C5 | C4 | 0.4° | 0.3° |
| C8 | N7 | C5 | C6 | 178.8° | 180.0° |
| N9 | C8 | N7 | C5 | 0.7° | 0.0° |
| C8 | N9 | C1' | C4 | 174.9° | 179.7° |
| C8 | N9 | C1' | O4' | 47.1° | 19.3° |
| C8 | N9 | C4 | C5 | 1.8° | 0.4° |
| C8 | N9 | C4 | N3 | 179.8° | 179.4° |
| C8 | N9 | C1' | H7 | 163.8° | 142.3° |
| N7 | C5 | C4 | N9 | 1.3° | 0.4° |
| N7 | C5 | C4 | C6 | 178.7° | 179.8° |
| N7 | C5 | C6 | N6 | 1.7° | 0.1° |
| N7 | C5 | C4 | N3 | 179.6° | 179.6° |
| N7 | C5 | C6 | N1 | 179.2° | 180.0° |
| C5 | N7 | C8 | H8 | 179.3° | 180.0° |
| N9 | C1' | O4' | H7 | 117.5° | 123.1° |
| C1' | N9 | C4 | C5 | 177.6° | 179.8° |
| C1' | N9 | C4 | N3 | 4.4° | 0.9° |
| N9 | C1' | O4' | C4' | 176.3° | 158.5° |
| N9 | C1' | C2' | H1 | 26.5° | 86.3° |
| N9 | C1' | C2' | H2 | 94.8° | 37.4° |
| C1' | N9 | C8 | H8 | 3.0° | 0.0° |
| C4 | N9 | C1' | O4' | 138.0° | 161.0° |
| N9 | C4 | C5 | N3 | 178.3° | 179.1° |
| N9 | C4 | C5 | C6 | 179.9° | 179.8° |
| N9 | C4 | N3 | C2 | 179.2° | 179.5° |
| C4 | N9 | C1' | H7 | 21.4° | 37.9° |
| C4 | N9 | C8 | H8 | 178.4° | 179.7° |
| C1' | O4' | C4' | C5' | 165.4° | 145.9° |
| O4' | C1' | C2' | H1 | 87.1° | 155.2° |
| O4' | C1' | C2' | H2 | 151.6° | 81.1° |
| C1' | O4' | C4' | H6 | 72.2° | 93.0° |
| C4 | C5 | C6 | N6 | 180.0° | 179.6° |
| C4 | C5 | C6 | N1 | 1.0° | 0.3° |
| C5 | C4 | N3 | C2 | 1.4° | 0.7° |
| C5 | C6 | N6 | N1 | 179.1° | 179.9° |
| C6 | C5 | C4 | N3 | 1.6° | 0.6° |
| C5 | C6 | N1 | C2 | 0.0° | 0.1° |
| C5 | C6 | N6 | H9 | 179.1° | 0.0° |
| C5 | C6 | N6 | H10 | 59.1° | 180.0° |
| N6 | C6 | N1 | C2 | 179.1° | 180.0° |
| C6 | N6 | H9 | H10 | 120.0° | 179.9° |
| C4 | N3 | C2 | N1 | 0.4° | 0.3° |
| C4 | N3 | C2 | H11 | 179.6° | 179.7° |
| C6 | N1 | C2 | N3 | 0.3° | 0.1° |
| N1 | C6 | N6 | H9 | 0.0° | 179.9° |
| N1 | C6 | N6 | H10 | 120.0° | 0.1° |
| C6 | N1 | C2 | H11 | 179.7° | 179.9° |
| O4' | C4' | C5' | H6 | 124.7° | 121.0° |
| O4' | C4' | C5' | H3 | 62.6° | 61.5° |
| O4' | C4' | C5' | H4 | 177.4° | 178.5° |
| O4' | C4' | C5' | H5 | 57.4° | 58.5° |
| C4' | O4' | C1' | H7 | 66.2° | 78.4° |
| O4' | C4' | C3' | H12 | 95.5° | 116.7° |
| C4' | C5' | H3 | H4 | 120.0° | 120.0° |
| C4' | C5' | H3 | H5 | 120.0° | 120.0° |
| C4' | C5' | H4 | H5 | 120.0° | 120.0° |
| C5' | C4' | C3' | H12 | 26.9° | 2.8° |
| N3 | C2 | N1 | H11 | 180.0° | 180.0° |
| H1 | C2' | C1' | H7 | 158.1° | 36.7° |
| H1 | C2' | C3' | H12 | 5.1° | 102.1° |
| H2 | C2' | C1' | H7 | 36.8° | 160.4° |
| H2 | C2' | C3' | H12 | 116.2° | 21.4° |
| H3 | C5' | H4 | H5 | 120.0° | 120.1° |
| H3 | C5' | C4' | H6 | 62.1° | 59.6° |
| H4 | C5' | C4' | H6 | 57.9° | 60.4° |
| H5 | C5' | C4' | H6 | 177.9° | 179.6° |
| H6 | C4' | C3' | H12 | 145.1° | 123.8° |
