ACK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5' | C4' | sing | 1.53Å | 1.54Å | |
| C5' | O5' | sing | 1.43Å | 1.42Å | |
| C4' | O4' | sing | 1.44Å | 1.44Å | |
| C4' | C3' | sing | 1.55Å | 1.53Å | |
| O4' | C1' | sing | 1.44Å | 1.42Å | |
| C3' | O3' | sing | 1.44Å | 1.44Å | |
| C3' | C2' | sing | 1.54Å | 1.52Å | |
| O3' | P | sing | 1.63Å | 1.60Å | |
| C1' | N9 | sing | 1.47Å | 1.48Å | |
| C1' | C2' | sing | 1.54Å | 1.52Å | |
| C8 | N9 | sing | 1.36Å | 1.35Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.35Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.32Å | Aromatic |
| C2' | O2' | sing | 1.44Å | 1.41Å | |
| O1P | P | doub | 1.48Å | 1.52Å | |
| P | O2' | sing | 1.63Å | 1.63Å | |
| P | O3P | sing | 1.61Å | 1.48Å | |
| N7 | C5 | sing | 1.35Å | 1.34Å | Aromatic |
| C4 | N3 | doub | 1.33Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.47Å | Aromatic |
| N3 | C2 | sing | 1.32Å | 1.34Å | Aromatic |
| C5 | C6 | doub | 1.41Å | 1.45Å | Aromatic |
| C2 | N1 | doub | 1.32Å | 1.36Å | Aromatic |
| C6 | N1 | sing | 1.33Å | 1.35Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.36Å | |
| O3P | H1 | sing | 0.97Å | 0.95Å | |
| C3' | H2 | sing | 1.09Å | 1.10Å | |
| C4' | H3 | sing | 1.09Å | 1.10Å | |
| C5' | H4 | sing | 1.09Å | 1.10Å | |
| C5' | H5 | sing | 1.09Å | 1.10Å | |
| O5' | H6 | sing | 0.97Å | 0.95Å | |
| 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 | |
| C2' | H12 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4' | C5' | O5' | 110.2° | 109.4° |
| C5' | C4' | O4' | 110.1° | 110.4° |
| C5' | C4' | C3' | 111.2° | 110.4° |
| C5' | C4' | H3 | 109.0° | 110.4° |
| C4' | C5' | H4 | 109.3° | 109.5° |
| C4' | C5' | H5 | 109.3° | 109.5° |
| O5' | C5' | H4 | 109.3° | 109.5° |
| O5' | C5' | H5 | 109.3° | 109.5° |
| C5' | O5' | H6 | 109.5° | 114.0° |
| O4' | C4' | C3' | 107.2° | 104.7° |
| C4' | O4' | C1' | 108.8° | 105.3° |
| O4' | C4' | H3 | 110.3° | 110.4° |
| C4' | C3' | O3' | 113.2° | 108.8° |
| C4' | C3' | C2' | 105.0° | 104.1° |
| C4' | C3' | H2 | 109.7° | 111.9° |
| C3' | C4' | H3 | 109.1° | 110.4° |
| O4' | C1' | N9 | 109.8° | 110.4° |
| O4' | C1' | C2' | 106.7° | 104.8° |
| O4' | C1' | H7 | 109.2° | 110.4° |
| O3' | C3' | C2' | 107.8° | 109.9° |
| C3' | O3' | P | 112.7° | 103.0° |
| O3' | C3' | H2 | 111.1° | 110.9° |
| C3' | C2' | C1' | 102.3° | 104.1° |
| C3' | C2' | O2' | 106.2° | 109.9° |
| C2' | C3' | H2 | 109.8° | 111.0° |
| C3' | C2' | H12 | 112.4° | 111.0° |
| O3' | P | O1P | 110.6° | 111.2° |
| O3' | P | O2' | 95.6° | 101.1° |
| O3' | P | O3P | 112.1° | 111.1° |
| N9 | C1' | C2' | 114.9° | 110.4° |
| C1' | N9 | C8 | 127.0° | 126.3° |
| C1' | N9 | C4 | 122.6° | 126.3° |
| N9 | C1' | H7 | 108.4° | 110.3° |
| C1' | C2' | O2' | 108.3° | 108.8° |
| C2' | C1' | H7 | 107.8° | 110.5° |
| C1' | C2' | H12 | 112.4° | 111.1° |
| N9 | C8 | N7 | 110.4° | 109.9° |
| C8 | N9 | C4 | 110.4° | 107.5° |
| N9 | C8 | H8 | 124.8° | 125.0° |
| C8 | N7 | C5 | 106.4° | 109.4° |
| N7 | C8 | H8 | 124.8° | 125.0° |
| N9 | C4 | N3 | 135.1° | 134.9° |
| N9 | C4 | C5 | 104.2° | 106.0° |
| C2' | O2' | P | 114.6° | 103.0° |
| O2' | C2' | H12 | 114.3° | 111.8° |
| O1P | P | O2' | 103.6° | 111.1° |
| O1P | P | O3P | 118.5° | 111.0° |
| O2' | P | O3P | 113.8° | 111.1° |
| P | O3P | H1 | 109.5° | 114.0° |
| N7 | C5 | C4 | 108.6° | 107.2° |
| N7 | C5 | C6 | 133.9° | 134.7° |
| N3 | C4 | C5 | 120.6° | 119.1° |
| C4 | N3 | C2 | 118.2° | 120.7° |
| C4 | C5 | C6 | 117.4° | 118.2° |
| N3 | C2 | N1 | 123.4° | 122.5° |
| N3 | C2 | H11 | 118.3° | 118.7° |
| C5 | C6 | N1 | 116.9° | 118.4° |
| C5 | C6 | N6 | 118.2° | 120.8° |
| C2 | N1 | C6 | 123.5° | 121.2° |
| N1 | C2 | H11 | 118.3° | 118.8° |
| N1 | C6 | N6 | 124.8° | 120.8° |
| C6 | N6 | H9 | 109.5° | 120.0° |
| C6 | N6 | H10 | 109.4° | 120.0° |
| 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) |
| C4' | C5' | O5' | H4 | 120.1° | 120.0° |
| C4' | C5' | O5' | H5 | 120.1° | 120.0° |
| C5' | C4' | O4' | C3' | 121.1° | 118.8° |
| C5' | C4' | O4' | H3 | 120.2° | 122.4° |
| C5' | C4' | C3' | H3 | 120.2° | 122.4° |
| C5' | C4' | O4' | C1' | 132.4° | 159.3° |
| C5' | C4' | C3' | O3' | 131.6° | 100.1° |
| C5' | C4' | C3' | C2' | 111.1° | 142.7° |
| C5' | C4' | C3' | H2 | 6.9° | 22.8° |
| C4' | C5' | H4 | H5 | 119.7° | 120.0° |
| C4' | C5' | O5' | H6 | 180.0° | 180.0° |
| O5' | C5' | C4' | O4' | 57.0° | 66.5° |
| O5' | C5' | C4' | C3' | 61.6° | 178.2° |
| O5' | C5' | C4' | H3 | 178.1° | 55.9° |
| O5' | C5' | H4 | H5 | 119.7° | 120.0° |
| O4' | C4' | C3' | H3 | 119.4° | 118.8° |
| O4' | C4' | C3' | O3' | 108.0° | 141.1° |
| O4' | C4' | C3' | C2' | 9.3° | 23.9° |
| C4' | O4' | C1' | N9 | 152.6° | 159.3° |
| C4' | O4' | C1' | C2' | 27.6° | 40.5° |
| O4' | C4' | C3' | H2 | 127.2° | 96.0° |
| O4' | C4' | C5' | H4 | 63.0° | 173.5° |
| O4' | C4' | C5' | H5 | 177.2° | 53.5° |
| C4' | O4' | C1' | H7 | 88.7° | 78.5° |
| C3' | C4' | O4' | C1' | 11.3° | 40.5° |
| C4' | C3' | O3' | C2' | 115.6° | 113.4° |
| C4' | C3' | O3' | H2 | 124.0° | 123.4° |
| C4' | C3' | C2' | H2 | 117.9° | 120.5° |
| C4' | C3' | O3' | P | 133.3° | 135.6° |
| C4' | C3' | C2' | C1' | 24.4° | 0.0° |
| C4' | C3' | C2' | O2' | 137.9° | 116.3° |
| C3' | C4' | C5' | H4 | 178.3° | 58.2° |
| C3' | C4' | C5' | H5 | 58.5° | 61.8° |
| C4' | C3' | C2' | H12 | 96.4° | 119.5° |
| O4' | C1' | C2' | C3' | 32.1° | 24.0° |
| O4' | C1' | N9 | C2' | 120.2° | 115.4° |
| O4' | C1' | N9 | H7 | 119.2° | 122.3° |
| O4' | C1' | C2' | H7 | 117.1° | 118.9° |
| O4' | C1' | N9 | C8 | 45.8° | 23.9° |
| O4' | C1' | N9 | C4 | 132.3° | 156.5° |
| O4' | C1' | C2' | O2' | 144.1° | 141.1° |
| C1' | O4' | C4' | H3 | 107.4° | 78.3° |
| O4' | C1' | C2' | H12 | 88.7° | 95.5° |
| O3' | C3' | C2' | H2 | 121.2° | 123.1° |
| O3' | C3' | C2' | C1' | 96.5° | 116.3° |
| O3' | C3' | C2' | O2' | 17.0° | 0.0° |
| C3' | O3' | P | O1P | 117.5° | 151.9° |
| C3' | O3' | P | O2' | 10.6° | 34.0° |
| C3' | O3' | P | O3P | 107.9° | 84.0° |
| O3' | C3' | C4' | H3 | 11.4° | 22.3° |
| O3' | C3' | C2' | H12 | 142.7° | 124.1° |
| C2' | C3' | O3' | P | 17.7° | 22.2° |
| C3' | C2' | C1' | N9 | 154.1° | 142.8° |
| C3' | C2' | C1' | O2' | 112.0° | 117.1° |
| C3' | C2' | C1' | H12 | 120.8° | 119.5° |
| C3' | C2' | O2' | H12 | 124.5° | 123.7° |
| C3' | C2' | O2' | P | 10.4° | 22.2° |
| C2' | C3' | C4' | H3 | 128.7° | 94.9° |
| C3' | C2' | C1' | H7 | 85.0° | 94.9° |
| O3' | P | O2' | C2' | 0.5° | 33.9° |
| O3' | P | O1P | O2' | 101.4° | 111.8° |
| O3' | P | O1P | O3P | 131.4° | 124.1° |
| O3' | P | O2' | O3P | 117.1° | 117.9° |
| O3' | P | O3P | H1 | 130.7° | 68.3° |
| P | O3' | C3' | H2 | 102.7° | 101.0° |
| N9 | C1' | C2' | H7 | 120.9° | 122.3° |
| C1' | N9 | C8 | C4 | 178.2° | 179.6° |
| C1' | N9 | C8 | N7 | 177.7° | 179.9° |
| N9 | C1' | C2' | O2' | 94.0° | 100.1° |
| C1' | N9 | C4 | N3 | 3.0° | 0.8° |
| C1' | N9 | C4 | C5 | 178.1° | 180.0° |
| C1' | N9 | C8 | H8 | 2.3° | 0.2° |
| N9 | C1' | C2' | H12 | 33.2° | 23.3° |
| C2' | C1' | N9 | C8 | 74.4° | 91.4° |
| C2' | C1' | N9 | C4 | 107.5° | 88.2° |
| C1' | C2' | O2' | H12 | 126.1° | 123.0° |
| C1' | C2' | O2' | P | 98.9° | 135.5° |
| C1' | C2' | C3' | H2 | 142.3° | 120.5° |
| N9 | C8 | N7 | H8 | 180.0° | 179.9° |
| N9 | C8 | N7 | C5 | 0.6° | 0.0° |
| C8 | N9 | C4 | N3 | 178.6° | 179.6° |
| C8 | N9 | C4 | C5 | 0.2° | 0.4° |
| C8 | N9 | C1' | H7 | 165.0° | 146.2° |
| N7 | C8 | N9 | C4 | 0.5° | 0.3° |
| C8 | N7 | C5 | C4 | 0.5° | 0.2° |
| C8 | N7 | C5 | C6 | 178.3° | 180.0° |
| N9 | C4 | C5 | N7 | 0.2° | 0.4° |
| N9 | C4 | N3 | C5 | 178.7° | 179.1° |
| N9 | C4 | N3 | C2 | 177.8° | 179.6° |
| N9 | C4 | C5 | C6 | 178.8° | 179.8° |
| C4 | N9 | C1' | H7 | 13.1° | 34.2° |
| C4 | N9 | C8 | H8 | 179.5° | 179.8° |
| C2' | O2' | P | O1P | 112.3° | 152.0° |
| C2' | O2' | P | O3P | 117.6° | 84.0° |
| O2' | C2' | C3' | H2 | 104.2° | 123.1° |
| O2' | C2' | C1' | H7 | 26.9° | 22.2° |
| O1P | P | O2' | O3P | 130.1° | 124.0° |
| O1P | P | O3P | H1 | 0.0° | 55.9° |
| O2' | P | O3P | H1 | 122.2° | 180.0° |
| P | O2' | C2' | H12 | 135.0° | 101.5° |
| N7 | C5 | C4 | N3 | 179.2° | 179.7° |
| N7 | C5 | C4 | C6 | 179.0° | 179.8° |
| N7 | C5 | C6 | N1 | 178.1° | 180.0° |
| N7 | C5 | C6 | N6 | 0.8° | 0.0° |
| C5 | N7 | C8 | H8 | 179.4° | 180.0° |
| N3 | C4 | C5 | C6 | 0.3° | 0.4° |
| C4 | N3 | C2 | N1 | 0.8° | 0.3° |
| C4 | N3 | C2 | H11 | 179.2° | 179.8° |
| C5 | C4 | N3 | C2 | 0.9° | 0.5° |
| C4 | C5 | C6 | N1 | 0.6° | 0.2° |
| C4 | C5 | C6 | N6 | 177.8° | 179.7° |
| N3 | C2 | N1 | H11 | 180.0° | 179.9° |
| N3 | C2 | N1 | C6 | 0.0° | 0.0° |
| C5 | C6 | N1 | C2 | 0.7° | 0.0° |
| C5 | C6 | N1 | N6 | 177.1° | 179.9° |
| C5 | C6 | N6 | H9 | 177.0° | 0.0° |
| C5 | C6 | N6 | H10 | 63.0° | 180.0° |
| C2 | N1 | C6 | N6 | 177.8° | 180.0° |
| N1 | C6 | N6 | H9 | 0.0° | 179.9° |
| N1 | C6 | N6 | H10 | 120.0° | 0.0° |
| C6 | N1 | C2 | H11 | 179.9° | 179.9° |
| C6 | N6 | H9 | H10 | 120.0° | 180.0° |
| H2 | C3' | C4' | H3 | 113.3° | 145.2° |
| H2 | C3' | C2' | H12 | 21.5° | 1.0° |
| H3 | C4' | C5' | H4 | 58.0° | 64.1° |
| H3 | C4' | C5' | H5 | 61.8° | 175.8° |
| H4 | C5' | O5' | H6 | 59.9° | 60.0° |
| H5 | C5' | O5' | H6 | 59.9° | 60.0° |
| H7 | C1' | C2' | H12 | 154.2° | 145.6° |
