ZD4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3B | PB | doub | 1.48Å | 1.47Å | |
| O1A | PA | doub | 1.48Å | 1.47Å | |
| O1B | PB | sing | 1.61Å | 1.48Å | |
| PB | O3A | sing | 1.61Å | 1.64Å | |
| PB | O2B | sing | 1.61Å | 1.48Å | |
| O3A | PA | sing | 1.61Å | 1.59Å | |
| O2A | PA | sing | 1.61Å | 1.47Å | |
| PA | O5' | sing | 1.61Å | 1.63Å | |
| O5' | C5' | sing | 1.43Å | 1.41Å | |
| C5' | C4' | sing | 1.53Å | 1.49Å | |
| CL6 | C2 | sing | 1.74Å | 1.76Å | |
| C4' | O4' | sing | 1.44Å | 1.49Å | |
| C4' | C3' | sing | 1.54Å | 1.50Å | |
| O4' | C1' | sing | 1.44Å | 1.49Å | |
| C2 | N1 | doub | 1.32Å | 1.31Å | Aromatic |
| C2 | N3 | sing | 1.32Å | 1.29Å | Aromatic |
| N1 | C6 | sing | 1.33Å | 1.32Å | Aromatic |
| N3 | C4 | doub | 1.33Å | 1.31Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.43Å | |
| C6 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.44Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.33Å | Aromatic |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | C2' | sing | 1.55Å | 1.48Å | |
| C5 | N7 | sing | 1.36Å | 1.45Å | Aromatic |
| C1' | N9 | sing | 1.46Å | 1.43Å | |
| C1' | C2' | sing | 1.55Å | 1.49Å | |
| N9 | C8 | sing | 1.36Å | 1.33Å | Aromatic |
| N7 | C8 | doub | 1.30Å | 1.35Å | Aromatic |
| C2' | O2' | sing | 1.43Å | 1.44Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C5' | H5'2 | sing | 1.09Å | 1.10Å | |
| C5' | H5'1 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N6 | HN61 | sing | 0.97Å | 1.00Å | |
| N6 | HN62 | sing | 0.97Å | 1.00Å | |
| O1B | H1 | sing | 0.97Å | 0.95Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| O2A | H2 | sing | 0.97Å | 0.95Å | |
| O2B | H3 | sing | 0.97Å | 0.95Å | |
| O3' | H4 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3B | PB | O1B | 112.8° | 109.5° |
| O3B | PB | O3A | 111.4° | 109.5° |
| O3B | PB | O2B | 108.6° | 109.4° |
| O1A | PA | O3A | 113.5° | 109.5° |
| O1A | PA | O2A | 113.2° | 109.5° |
| O1A | PA | O5' | 106.2° | 109.4° |
| O1B | PB | O3A | 108.0° | 109.5° |
| O1B | PB | O2B | 107.7° | 109.5° |
| PB | O1B | H1 | 109.5° | 114.0° |
| O3A | PB | O2B | 108.1° | 109.4° |
| PB | O3A | PA | 129.6° | 134.0° |
| PB | O2B | H3 | 109.5° | 114.0° |
| O3A | PA | O2A | 106.5° | 109.5° |
| O3A | PA | O5' | 106.1° | 109.5° |
| O2A | PA | O5' | 111.3° | 109.5° |
| PA | O2A | H2 | 109.5° | 114.0° |
| PA | O5' | C5' | 118.8° | 123.0° |
| O5' | C5' | C4' | 108.5° | 109.5° |
| O5' | C5' | H5'2 | 109.8° | 109.5° |
| O5' | C5' | H5'1 | 109.7° | 109.5° |
| C5' | C4' | O4' | 109.8° | 109.9° |
| C5' | C4' | C3' | 114.2° | 109.9° |
| C5' | C4' | H4' | 109.1° | 110.0° |
| C4' | C5' | H5'2 | 109.7° | 109.5° |
| C4' | C5' | H5'1 | 109.7° | 109.5° |
| CL6 | C2 | N1 | 120.7° | 118.7° |
| CL6 | C2 | N3 | 115.4° | 118.8° |
| O4' | C4' | C3' | 105.7° | 107.3° |
| C4' | O4' | C1' | 108.9° | 107.0° |
| O4' | C4' | H4' | 109.0° | 109.9° |
| C4' | C3' | O3' | 110.3° | 110.5° |
| C4' | C3' | C2' | 103.5° | 104.2° |
| C4' | C3' | H3' | 109.7° | 110.5° |
| C3' | C4' | H4' | 108.8° | 109.9° |
| O4' | C1' | N9 | 105.0° | 110.6° |
| O4' | C1' | C2' | 102.3° | 103.5° |
| O4' | C1' | H1' | 110.1° | 110.8° |
| N1 | C2 | N3 | 123.9° | 122.5° |
| C2 | N1 | C6 | 119.9° | 121.1° |
| C2 | N3 | C4 | 121.4° | 120.6° |
| N1 | C6 | N6 | 120.5° | 120.7° |
| N1 | C6 | C5 | 119.9° | 118.5° |
| N3 | C4 | C5 | 118.0° | 119.1° |
| N3 | C4 | N9 | 137.0° | 134.9° |
| N6 | C6 | C5 | 119.5° | 120.8° |
| C6 | N6 | HN61 | 109.5° | 120.0° |
| C6 | N6 | HN62 | 109.5° | 120.0° |
| C6 | C5 | C4 | 116.8° | 118.2° |
| C6 | C5 | N7 | 137.6° | 134.7° |
| C5 | C4 | N9 | 105.0° | 106.1° |
| C4 | C5 | N7 | 105.6° | 107.1° |
| C4 | N9 | C1' | 121.1° | 126.3° |
| C4 | N9 | C8 | 113.9° | 107.4° |
| O3' | C3' | C2' | 112.2° | 110.5° |
| O3' | C3' | H3' | 110.8° | 110.5° |
| C3' | O3' | H4 | 109.5° | 114.0° |
| C3' | C2' | C1' | 106.6° | 102.1° |
| C3' | C2' | O2' | 106.8° | 110.9° |
| C3' | C2' | H2' | 111.2° | 111.0° |
| C2' | C3' | H3' | 110.1° | 110.5° |
| C5 | N7 | C8 | 106.8° | 109.5° |
| N9 | C1' | C2' | 117.7° | 110.6° |
| C1' | N9 | C8 | 124.7° | 126.3° |
| N9 | C1' | H1' | 111.0° | 110.6° |
| C1' | C2' | O2' | 109.4° | 110.9° |
| C2' | C1' | H1' | 110.1° | 110.7° |
| C1' | C2' | H2' | 110.9° | 110.9° |
| N9 | C8 | N7 | 108.6° | 110.0° |
| N9 | C8 | H8 | 125.7° | 125.0° |
| N7 | C8 | H8 | 125.7° | 125.0° |
| O2' | C2' | H2' | 111.8° | 110.8° |
| C2' | O2' | HO2' | 109.5° | 114.0° |
| H5'2 | C5' | H5'1 | 109.5° | 109.5° |
| HN61 | N6 | HN62 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3B | PB | O1B | O3A | 123.6° | 120.0° |
| O3B | PB | O1B | O2B | 119.9° | 120.0° |
| O3B | PB | O3A | O2B | 119.2° | 120.0° |
| O3B | PB | O3A | PA | 28.0° | 45.0° |
| O3B | PB | O1B | H1 | 0.0° | 59.9° |
| O3B | PB | O2B | H3 | 0.0° | 180.0° |
| O1A | PA | O3A | PB | 34.0° | 40.0° |
| O1A | PA | O3A | O2A | 125.2° | 120.0° |
| O1A | PA | O3A | O5' | 116.2° | 120.0° |
| O1A | PA | O2A | O5' | 119.5° | 120.0° |
| O1A | PA | O5' | C5' | 178.1° | 55.0° |
| O1A | PA | O2A | H2 | 0.0° | 180.0° |
| O1B | PB | O3A | O2B | 116.3° | 120.0° |
| O1B | PB | O3A | PA | 152.4° | 165.0° |
| O1B | PB | O2B | H3 | 122.5° | 60.0° |
| PB | O3A | PA | O2A | 159.2° | 80.0° |
| PB | O3A | PA | O5' | 82.2° | 160.0° |
| O3A | PB | O1B | H1 | 123.6° | 180.0° |
| O3A | PB | O2B | H3 | 120.9° | 60.0° |
| O2B | PB | O3A | PA | 91.3° | 75.0° |
| O2B | PB | O1B | H1 | 119.9° | 60.0° |
| O3A | PA | O2A | O5' | 115.2° | 120.0° |
| O3A | PA | O5' | C5' | 60.9° | 175.0° |
| O3A | PA | O2A | H2 | 125.4° | 60.0° |
| O2A | PA | O5' | C5' | 54.5° | 65.0° |
| PA | O5' | C5' | C4' | 168.0° | 180.0° |
| PA | O5' | C5' | H5'2 | 72.2° | 60.0° |
| PA | O5' | C5' | H5'1 | 48.1° | 60.0° |
| O5' | PA | O2A | H2 | 119.5° | 60.0° |
| O5' | C5' | C4' | H5'2 | 119.9° | 120.0° |
| O5' | C5' | C4' | H5'1 | 119.8° | 120.0° |
| O5' | C5' | C4' | O4' | 70.3° | 66.4° |
| O5' | C5' | C4' | C3' | 171.2° | 175.7° |
| O5' | C5' | C4' | H4' | 49.1° | 54.6° |
| O5' | C5' | H5'2 | H5'1 | 120.5° | 120.0° |
| C5' | C4' | O4' | C3' | 123.7° | 119.5° |
| C5' | C4' | O4' | H4' | 119.4° | 121.1° |
| C5' | C4' | C3' | H4' | 122.2° | 121.1° |
| C5' | C4' | O4' | C1' | 125.9° | 146.0° |
| C5' | C4' | C3' | O3' | 96.0° | 119.8° |
| C5' | C4' | C3' | C2' | 143.8° | 121.5° |
| C5' | C4' | C3' | H3' | 26.3° | 2.8° |
| C4' | C5' | H5'2 | H5'1 | 120.4° | 120.0° |
| CL6 | C2 | N1 | N3 | 177.5° | 179.8° |
| CL6 | C2 | N1 | C6 | 179.1° | 179.7° |
| CL6 | C2 | N3 | C4 | 178.6° | 179.7° |
| O4' | C4' | C3' | H4' | 117.0° | 119.4° |
| O4' | C4' | C3' | O3' | 143.2° | 120.7° |
| O4' | C4' | C3' | C2' | 22.9° | 2.0° |
| C4' | O4' | C1' | N9 | 104.3° | 158.6° |
| C4' | O4' | C1' | C2' | 19.2° | 40.1° |
| C4' | O4' | C1' | H1' | 136.1° | 78.5° |
| O4' | C4' | C3' | H3' | 94.5° | 116.7° |
| O4' | C4' | C5' | H5'2 | 49.6° | 173.6° |
| O4' | C4' | C5' | H5'1 | 169.9° | 53.6° |
| C3' | C4' | O4' | C1' | 2.2° | 26.5° |
| C4' | C3' | O3' | C2' | 114.8° | 114.8° |
| C4' | C3' | O3' | H3' | 121.7° | 122.7° |
| C4' | C3' | C2' | H3' | 117.2° | 118.7° |
| C4' | C3' | C2' | C1' | 36.0° | 20.9° |
| C4' | C3' | C2' | O2' | 80.9° | 139.1° |
| C4' | C3' | C2' | H2' | 157.0° | 97.3° |
| C3' | C4' | C5' | H5'2 | 69.0° | 55.7° |
| C3' | C4' | C5' | H5'1 | 51.3° | 64.3° |
| C4' | C3' | O3' | H4 | 180.0° | 176.2° |
| O4' | C1' | N9 | C4 | 67.8° | 161.0° |
| O4' | C1' | C2' | C3' | 34.1° | 37.1° |
| O4' | C1' | N9 | C2' | 113.0° | 114.0° |
| O4' | C1' | N9 | H1' | 118.9° | 123.0° |
| O4' | C1' | C2' | H1' | 116.9° | 118.7° |
| O4' | C1' | N9 | C8 | 105.6° | 19.1° |
| O4' | C1' | C2' | O2' | 81.0° | 155.3° |
| O4' | C1' | C2' | H2' | 155.3° | 81.2° |
| C1' | O4' | C4' | H4' | 114.7° | 92.9° |
| N1 | C2 | N3 | C4 | 3.8° | 0.1° |
| C2 | N1 | C6 | N6 | 178.8° | 180.0° |
| C2 | N1 | C6 | C5 | 1.0° | 0.1° |
| N3 | C2 | N1 | C6 | 1.6° | 0.0° |
| C2 | N3 | C4 | C5 | 3.2° | 0.1° |
| C2 | N3 | C4 | N9 | 179.4° | 179.9° |
| N1 | C6 | N6 | C5 | 177.8° | 179.9° |
| N1 | C6 | C5 | C4 | 1.3° | 0.1° |
| N1 | C6 | C5 | N7 | 179.9° | 180.0° |
| N1 | C6 | N6 | HN61 | 0.0° | 180.0° |
| N1 | C6 | N6 | HN62 | 120.0° | 0.1° |
| N3 | C4 | C5 | C6 | 0.8° | 0.0° |
| N3 | C4 | C5 | N9 | 178.2° | 180.0° |
| N3 | C4 | C5 | N7 | 178.3° | 180.0° |
| N3 | C4 | N9 | C1' | 6.4° | 0.0° |
| N3 | C4 | N9 | C8 | 179.5° | 180.0° |
| N6 | C6 | C5 | C4 | 179.1° | 180.0° |
| N6 | C6 | C5 | N7 | 2.3° | 0.0° |
| C6 | N6 | HN61 | HN62 | 120.0° | 179.9° |
| C6 | C5 | C4 | N7 | 179.0° | 180.0° |
| C6 | C5 | C4 | N9 | 179.0° | 180.0° |
| C6 | C5 | N7 | C8 | 179.7° | 179.9° |
| C5 | C6 | N6 | HN61 | 177.8° | 0.1° |
| C5 | C6 | N6 | HN62 | 57.9° | 180.0° |
| C5 | C4 | N9 | C1' | 175.9° | 180.0° |
| C5 | C4 | N9 | C8 | 1.8° | 0.0° |
| C4 | C5 | N7 | C8 | 1.6° | 0.0° |
| N9 | C4 | C5 | N7 | 0.1° | 0.0° |
| C4 | N9 | C1' | C8 | 173.4° | 180.0° |
| C4 | N9 | C1' | C2' | 179.2° | 85.0° |
| C4 | N9 | C8 | N7 | 2.9° | 0.0° |
| C4 | N9 | C1' | H1' | 51.1° | 37.9° |
| C4 | N9 | C8 | H8 | 177.1° | 180.0° |
| O3' | C3' | C2' | H3' | 123.9° | 122.5° |
| O3' | C3' | C2' | C1' | 154.8° | 97.8° |
| O3' | C3' | C2' | O2' | 38.0° | 20.4° |
| O3' | C3' | C2' | H2' | 84.2° | 144.0° |
| O3' | C3' | C4' | H4' | 26.1° | 1.3° |
| C3' | C2' | C1' | N9 | 80.4° | 155.5° |
| C3' | C2' | C1' | O2' | 115.1° | 118.2° |
| C3' | C2' | C1' | H2' | 121.2° | 118.3° |
| C3' | C2' | O2' | H2' | 121.8° | 123.7° |
| C3' | C2' | C1' | H1' | 151.1° | 81.6° |
| C2' | C3' | C4' | H4' | 94.1° | 117.4° |
| C3' | C2' | O2' | HO2' | 180.0° | 67.3° |
| C2' | C3' | O3' | H4 | 65.2° | 61.4° |
| C5 | N7 | C8 | N9 | 2.7° | 0.0° |
| C5 | N7 | C8 | H8 | 177.4° | 180.0° |
| N9 | C1' | C2' | H1' | 128.6° | 122.9° |
| C1' | N9 | C8 | N7 | 176.8° | 180.0° |
| N9 | C1' | C2' | O2' | 164.6° | 86.3° |
| N9 | C1' | C2' | H2' | 40.8° | 37.3° |
| C1' | N9 | C8 | H8 | 3.2° | 0.0° |
| C2' | C1' | N9 | C8 | 7.4° | 95.0° |
| C1' | C2' | O2' | H2' | 123.3° | 123.6° |
| C1' | C2' | C3' | H3' | 81.3° | 139.7° |
| C1' | C2' | O2' | HO2' | 65.1° | 180.0° |
| N9 | C8 | N7 | H8 | 180.0° | 180.0° |
| C8 | N9 | C1' | H1' | 135.5° | 142.1° |
| O2' | C2' | C1' | H1' | 36.0° | 36.6° |
| O2' | C2' | C3' | H3' | 161.9° | 102.2° |
| H1' | C1' | C2' | H2' | 87.8° | 160.1° |
| H2' | C2' | C3' | H3' | 39.8° | 21.5° |
| H2' | C2' | O2' | HO2' | 58.2° | 56.4° |
| H3' | C3' | C4' | H4' | 148.5° | 123.9° |
| H3' | C3' | O3' | H4 | 58.3° | 61.1° |
| H4' | C4' | C5' | H5'2 | 169.0° | 65.4° |
| H4' | C4' | C5' | H5'1 | 70.7° | 174.6° |
