ANK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | doub | 1.32Å | 1.34Å | Aromatic |
| N1 | C6 | sing | 1.33Å | 1.34Å | Aromatic |
| C2 | N3 | sing | 1.32Å | 1.35Å | Aromatic |
| N3 | C4 | doub | 1.33Å | 1.34Å | Aromatic |
| C4 | C5 | sing | 1.41Å | 1.48Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.32Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.47Å | Aromatic |
| C5 | N7 | sing | 1.36Å | 1.33Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.36Å | |
| N7 | C8 | doub | 1.30Å | 1.35Å | Aromatic |
| C8 | N9 | sing | 1.36Å | 1.35Å | Aromatic |
| N9 | C1' | sing | 1.46Å | 1.48Å | |
| PA | O1A | doub | 1.48Å | 1.51Å | |
| PA | O2A | sing | 1.61Å | 1.51Å | |
| PA | O3A | sing | 1.61Å | 1.60Å | |
| PA | O5' | sing | 1.61Å | 1.61Å | |
| PB | O1B | doub | 1.48Å | 1.51Å | |
| PB | O2B | sing | 1.61Å | 1.53Å | |
| PB | O3A | sing | 1.61Å | 1.58Å | |
| PB | N3B | sing | 1.68Å | 1.76Å | |
| PG | O1G | sing | 1.61Å | 1.52Å | |
| PG | O2G | doub | 1.48Å | 1.51Å | |
| PG | N3B | sing | 1.68Å | 1.73Å | |
| PG | O3G | sing | 1.61Å | 1.54Å | |
| C1' | C2' | sing | 1.54Å | 1.50Å | |
| C1' | O4' | sing | 1.44Å | 1.39Å | |
| C2' | O2' | sing | 1.43Å | 1.41Å | |
| C2' | C3' | sing | 1.55Å | 1.52Å | |
| C3' | O3' | sing | 1.43Å | 1.42Å | |
| C3' | C4' | sing | 1.54Å | 1.52Å | |
| C4' | O4' | sing | 1.44Å | 1.42Å | |
| C4' | C5' | sing | 1.53Å | 1.51Å | |
| C5' | O5' | sing | 1.43Å | 1.44Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N6 | HN6 | sing | 0.97Å | 1.00Å | |
| N6 | HN6A | sing | 0.97Å | 1.00Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| O1G | HO1G | sing | 0.97Å | 0.95Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| O2A | HO2A | sing | 0.97Å | 0.95Å | |
| O2B | HO2B | sing | 0.97Å | 0.95Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| N3B | HN3B | sing | 1.01Å | 1.00Å | |
| O3G | HO3G | sing | 0.97Å | 0.95Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C6 | 122.2° | 121.2° |
| N1 | C2 | N3 | 125.2° | 122.5° |
| N1 | C2 | H2 | 117.4° | 118.8° |
| N1 | C6 | C5 | 116.3° | 118.5° |
| N1 | C6 | N6 | 122.0° | 120.7° |
| C2 | N3 | C4 | 119.2° | 120.6° |
| N3 | C2 | H2 | 117.4° | 118.7° |
| N3 | C4 | C5 | 118.8° | 119.0° |
| N3 | C4 | N9 | 135.1° | 134.9° |
| C5 | C4 | N9 | 106.1° | 106.0° |
| C4 | C5 | C6 | 118.4° | 118.2° |
| C4 | C5 | N7 | 107.5° | 107.1° |
| C4 | N9 | C8 | 107.3° | 107.4° |
| C4 | N9 | C1' | 133.6° | 126.3° |
| C6 | C5 | N7 | 134.1° | 134.7° |
| C5 | C6 | N6 | 121.7° | 120.8° |
| C5 | N7 | C8 | 105.9° | 109.4° |
| C6 | N6 | HN6 | 109.5° | 120.0° |
| C6 | N6 | HN6A | 109.4° | 120.0° |
| N7 | C8 | N9 | 113.1° | 110.0° |
| N7 | C8 | H8 | 123.4° | 125.0° |
| C8 | N9 | C1' | 119.0° | 126.3° |
| N9 | C8 | H8 | 123.4° | 125.0° |
| N9 | C1' | C2' | 129.8° | 110.4° |
| N9 | C1' | O4' | 115.7° | 110.4° |
| N9 | C1' | H1' | 83.5° | 110.3° |
| O1A | PA | O2A | 125.0° | 109.5° |
| O1A | PA | O3A | 111.3° | 109.5° |
| O1A | PA | O5' | 105.8° | 109.4° |
| O2A | PA | O3A | 104.5° | 109.5° |
| O2A | PA | O5' | 107.6° | 109.5° |
| PA | O2A | HO2A | 109.5° | 114.0° |
| O3A | PA | O5' | 99.7° | 109.5° |
| PA | O3A | PB | 126.2° | 134.0° |
| PA | O5' | C5' | 124.2° | 123.0° |
| O1B | PB | O2B | 119.0° | 109.5° |
| O1B | PB | O3A | 98.4° | 109.5° |
| O1B | PB | N3B | 108.5° | 109.5° |
| O2B | PB | O3A | 112.4° | 109.5° |
| O2B | PB | N3B | 110.6° | 109.5° |
| PB | O2B | HO2B | 109.5° | 114.0° |
| O3A | PB | N3B | 106.9° | 109.5° |
| PB | N3B | PG | 126.7° | 111.0° |
| PB | N3B | HN3B | 104.1° | 111.0° |
| O1G | PG | O2G | 109.5° | 109.5° |
| O1G | PG | N3B | 107.2° | 109.5° |
| O1G | PG | O3G | 119.4° | 109.4° |
| PG | O1G | HO1G | 109.5° | 114.0° |
| O2G | PG | N3B | 106.8° | 109.5° |
| O2G | PG | O3G | 115.8° | 109.5° |
| N3B | PG | O3G | 96.2° | 109.5° |
| PG | N3B | HN3B | 104.1° | 111.0° |
| PG | O3G | HO3G | 109.5° | 114.0° |
| C2' | C1' | O4' | 102.3° | 104.8° |
| C1' | C2' | O2' | 109.7° | 110.5° |
| C1' | C2' | C3' | 95.8° | 104.0° |
| C2' | C1' | H1' | 102.9° | 110.4° |
| C1' | C2' | H2' | 117.0° | 110.5° |
| C1' | O4' | C4' | 91.2° | 105.2° |
| O4' | C1' | H1' | 122.8° | 110.4° |
| O2' | C2' | C3' | 107.1° | 110.5° |
| O2' | C2' | H2' | 107.3° | 110.5° |
| C2' | O2' | HO2' | 109.5° | 114.0° |
| C2' | C3' | O3' | 109.8° | 110.5° |
| C2' | C3' | C4' | 102.4° | 104.1° |
| C3' | C2' | H2' | 119.2° | 110.6° |
| C2' | C3' | H3' | 112.8° | 110.5° |
| O3' | C3' | C4' | 106.6° | 110.5° |
| O3' | C3' | H3' | 109.0° | 110.5° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| C3' | C4' | O4' | 101.2° | 104.8° |
| C3' | C4' | C5' | 119.5° | 110.3° |
| C4' | C3' | H3' | 115.7° | 110.7° |
| C3' | C4' | H4' | 109.8° | 110.4° |
| O4' | C4' | C5' | 112.6° | 110.3° |
| O4' | C4' | H4' | 117.1° | 110.4° |
| C4' | C5' | O5' | 106.4° | 109.4° |
| C5' | C4' | H4' | 97.6° | 110.4° |
| C4' | C5' | H5' | 110.5° | 109.5° |
| C4' | C5' | H5'A | 110.5° | 109.4° |
| O5' | C5' | H5' | 110.5° | 109.5° |
| O5' | C5' | H5'A | 110.5° | 109.5° |
| HN6 | N6 | HN6A | 109.5° | 120.0° |
| H5' | C5' | H5'A | 108.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | N3 | H2 | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 0.1° | 0.0° |
| C2 | N1 | C6 | C5 | 0.9° | 0.0° |
| C2 | N1 | C6 | N6 | 179.4° | 180.0° |
| C6 | N1 | C2 | N3 | 0.4° | 0.0° |
| N1 | C6 | C5 | C4 | 1.0° | 0.0° |
| N1 | C6 | C5 | N6 | 179.7° | 180.0° |
| N1 | C6 | C5 | N7 | 179.7° | 180.0° |
| C6 | N1 | C2 | H2 | 179.6° | 180.0° |
| N1 | C6 | N6 | HN6 | 0.0° | 0.0° |
| N1 | C6 | N6 | HN6A | 120.0° | 180.0° |
| C2 | N3 | C4 | C5 | 0.3° | 0.0° |
| C2 | N3 | C4 | N9 | 179.8° | 179.9° |
| N3 | C4 | C5 | N9 | 179.9° | 180.0° |
| N3 | C4 | C5 | C6 | 0.8° | 0.0° |
| N3 | C4 | C5 | N7 | 179.8° | 180.0° |
| N3 | C4 | N9 | C8 | 179.9° | 179.9° |
| N3 | C4 | N9 | C1' | 2.9° | 0.0° |
| C4 | N3 | C2 | H2 | 179.9° | 180.0° |
| C4 | C5 | C6 | N7 | 178.7° | 179.9° |
| C4 | C5 | C6 | N6 | 179.3° | 180.0° |
| C4 | C5 | N7 | C8 | 0.5° | 0.0° |
| C5 | C4 | N9 | C8 | 0.0° | 0.0° |
| C5 | C4 | N9 | C1' | 176.9° | 180.0° |
| N9 | C4 | C5 | C6 | 179.3° | 180.0° |
| N9 | C4 | C5 | N7 | 0.3° | 0.0° |
| C4 | N9 | C8 | N7 | 0.3° | 0.0° |
| C4 | N9 | C8 | C1' | 177.5° | 180.0° |
| C4 | N9 | C1' | C2' | 16.7° | 85.0° |
| C4 | N9 | C1' | O4' | 118.4° | 159.6° |
| C4 | N9 | C8 | H8 | 179.7° | 179.9° |
| C4 | N9 | C1' | H1' | 118.2° | 37.2° |
| C6 | C5 | N7 | C8 | 179.3° | 179.9° |
| C5 | C6 | N6 | HN6 | 179.7° | 180.0° |
| C5 | C6 | N6 | HN6A | 60.3° | 0.1° |
| N7 | C5 | C6 | N6 | 0.6° | 0.1° |
| C5 | N7 | C8 | N9 | 0.5° | 0.0° |
| C5 | N7 | C8 | H8 | 179.5° | 179.9° |
| C6 | N6 | HN6 | HN6A | 120.0° | 180.0° |
| N7 | C8 | N9 | H8 | 180.0° | 179.9° |
| N7 | C8 | N9 | C1' | 177.8° | 180.0° |
| C8 | N9 | C1' | C2' | 159.9° | 95.0° |
| C8 | N9 | C1' | O4' | 64.9° | 20.4° |
| C8 | N9 | C1' | H1' | 58.5° | 142.8° |
| N9 | C1' | C2' | O4' | 139.4° | 118.9° |
| N9 | C1' | C2' | H1' | 92.3° | 122.2° |
| N9 | C1' | O4' | H1' | 99.3° | 122.3° |
| N9 | C1' | C2' | O2' | 62.6° | 98.5° |
| N9 | C1' | C2' | C3' | 173.2° | 142.8° |
| N9 | C1' | O4' | C4' | 146.2° | 159.4° |
| C1' | N9 | C8 | H8 | 2.2° | 0.1° |
| N9 | C1' | C2' | H2' | 59.8° | 24.1° |
| O1A | PA | O2A | O3A | 129.8° | 120.1° |
| O1A | PA | O2A | O5' | 124.8° | 120.0° |
| O1A | PA | O3A | O5' | 111.3° | 120.0° |
| O1A | PA | O3A | PB | 48.8° | 45.0° |
| O1A | PA | O5' | C5' | 86.1° | 55.0° |
| O1A | PA | O2A | HO2A | 0.0° | 179.9° |
| O2A | PA | O3A | O5' | 111.1° | 120.0° |
| O2A | PA | O3A | PB | 88.7° | 75.1° |
| O2A | PA | O5' | C5' | 138.2° | 65.0° |
| PA | O3A | PB | O1B | 176.6° | 60.0° |
| PA | O3A | PB | O2B | 50.4° | 60.0° |
| PA | O3A | PB | N3B | 71.1° | 180.0° |
| O3A | PA | O5' | C5' | 29.5° | 175.0° |
| O3A | PA | O2A | HO2A | 129.8° | 60.0° |
| O5' | PA | O3A | PB | 160.2° | 165.0° |
| PA | O5' | C5' | C4' | 95.0° | 180.0° |
| O5' | PA | O2A | HO2A | 124.8° | 60.0° |
| PA | O5' | C5' | H5' | 145.0° | 60.0° |
| PA | O5' | C5' | H5'A | 25.0° | 60.0° |
| O1B | PB | O2B | O3A | 114.1° | 120.0° |
| O1B | PB | O2B | N3B | 126.5° | 120.0° |
| O1B | PB | O3A | N3B | 112.3° | 120.0° |
| O1B | PB | N3B | PG | 153.4° | 60.0° |
| O1B | PB | O2B | HO2B | 0.0° | 180.0° |
| O1B | PB | N3B | HN3B | 86.6° | 176.1° |
| O2B | PB | O3A | N3B | 121.5° | 120.0° |
| O2B | PB | N3B | PG | 21.3° | 60.0° |
| O2B | PB | N3B | HN3B | 141.3° | 63.9° |
| O3A | PB | N3B | PG | 101.4° | 180.0° |
| O3A | PB | O2B | HO2B | 114.2° | 60.0° |
| O3A | PB | N3B | HN3B | 18.6° | 56.1° |
| PB | N3B | PG | O1G | 24.2° | 60.0° |
| PB | N3B | PG | O2G | 93.0° | 60.0° |
| PB | N3B | PG | HN3B | 120.0° | 123.9° |
| PB | N3B | PG | O3G | 147.7° | 180.0° |
| N3B | PB | O2B | HO2B | 126.5° | 60.0° |
| O1G | PG | O2G | N3B | 115.7° | 120.0° |
| O1G | PG | O2G | O3G | 138.5° | 120.0° |
| O1G | PG | N3B | O3G | 123.5° | 120.0° |
| O1G | PG | N3B | HN3B | 95.8° | 176.0° |
| O1G | PG | O3G | HO3G | 134.2° | 60.0° |
| O2G | PG | N3B | O3G | 119.3° | 120.0° |
| O2G | PG | O1G | HO1G | 0.0° | 180.0° |
| O2G | PG | N3B | HN3B | 147.0° | 63.9° |
| O2G | PG | O3G | HO3G | 0.0° | 60.0° |
| N3B | PG | O1G | HO1G | 115.5° | 60.0° |
| N3B | PG | O3G | HO3G | 112.0° | 180.0° |
| O3G | PG | O1G | HO1G | 136.8° | 60.0° |
| O3G | PG | N3B | HN3B | 27.7° | 56.1° |
| C2' | C1' | O4' | H1' | 114.4° | 118.9° |
| C1' | C2' | O2' | C3' | 102.9° | 114.6° |
| C1' | C2' | O2' | H2' | 128.1° | 122.6° |
| C1' | C2' | C3' | H2' | 125.4° | 118.6° |
| C1' | C2' | C3' | O3' | 104.5° | 118.7° |
| C1' | C2' | C3' | C4' | 8.5° | 0.1° |
| C2' | C1' | O4' | C4' | 67.4° | 40.5° |
| C1' | C2' | O2' | HO2' | 180.0° | 179.9° |
| C1' | C2' | C3' | H3' | 133.7° | 118.8° |
| O4' | C1' | C2' | O2' | 158.0° | 142.6° |
| O4' | C1' | C2' | C3' | 47.4° | 23.9° |
| C1' | O4' | C4' | C3' | 58.3° | 40.5° |
| C1' | O4' | C4' | C5' | 172.9° | 159.3° |
| O4' | C1' | C2' | H2' | 79.6° | 94.8° |
| C1' | O4' | C4' | H4' | 60.9° | 78.4° |
| O2' | C2' | C3' | H2' | 121.9° | 122.7° |
| O2' | C2' | C3' | O3' | 8.2° | 0.0° |
| O2' | C2' | C3' | C4' | 121.2° | 118.6° |
| O2' | C2' | C1' | H1' | 29.7° | 23.7° |
| O2' | C2' | C3' | H3' | 113.6° | 122.6° |
| C2' | C3' | O3' | C4' | 110.2° | 114.6° |
| C2' | C3' | O3' | H3' | 124.1° | 122.6° |
| C2' | C3' | C4' | H3' | 123.2° | 118.7° |
| C2' | C3' | C4' | O4' | 30.6° | 24.0° |
| C2' | C3' | C4' | C5' | 154.8° | 142.8° |
| C3' | C2' | C1' | H1' | 80.8° | 95.0° |
| C3' | C2' | O2' | HO2' | 77.1° | 65.3° |
| C2' | C3' | O3' | HO3' | 180.0° | 61.5° |
| C2' | C3' | C4' | H4' | 93.7° | 94.9° |
| O3' | C3' | C4' | H3' | 121.4° | 122.7° |
| O3' | C3' | C4' | O4' | 146.0° | 142.6° |
| O3' | C3' | C4' | C5' | 89.8° | 98.6° |
| O3' | C3' | C2' | H2' | 130.1° | 122.7° |
| O3' | C3' | C4' | H4' | 21.6° | 23.7° |
| C3' | C4' | O4' | C5' | 128.8° | 118.8° |
| C3' | C4' | O4' | H4' | 119.2° | 118.9° |
| C3' | C4' | C5' | H4' | 117.9° | 122.3° |
| C3' | C4' | C5' | O5' | 177.0° | 175.0° |
| C4' | C3' | C2' | H2' | 116.9° | 118.7° |
| C4' | C3' | O3' | HO3' | 69.7° | 176.1° |
| C3' | C4' | C5' | H5' | 57.0° | 65.0° |
| C3' | C4' | C5' | H5'A | 63.0° | 55.1° |
| O4' | C4' | C5' | H4' | 123.6° | 122.3° |
| O4' | C4' | C5' | O5' | 58.5° | 69.6° |
| C4' | O4' | C1' | H1' | 47.0° | 78.4° |
| O4' | C4' | C3' | H3' | 92.6° | 94.6° |
| O4' | C4' | C5' | H5' | 61.5° | 50.4° |
| O4' | C4' | C5' | H5'A | 178.5° | 170.4° |
| C4' | C5' | O5' | H5' | 120.0° | 120.0° |
| C4' | C5' | O5' | H5'A | 120.0° | 120.0° |
| C5' | C4' | C3' | H3' | 31.6° | 24.1° |
| C4' | C5' | H5' | H5'A | 121.2° | 120.0° |
| O5' | C5' | C4' | H4' | 65.1° | 52.7° |
| O5' | C5' | H5' | H5'A | 121.3° | 120.0° |
| H1' | C1' | C2' | H2' | 152.2° | 146.3° |
| H2' | C2' | O2' | HO2' | 51.9° | 57.5° |
| H2' | C2' | C3' | H3' | 8.3° | 0.1° |
| H3' | C3' | O3' | HO3' | 55.9° | 61.1° |
| H3' | C3' | C4' | H4' | 143.1° | 146.5° |
| H4' | C4' | C5' | H5' | 174.9° | 172.7° |
| H4' | C4' | C5' | H5'A | 55.0° | 67.3° |
