AOC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N6 | C6 | sing | 1.38Å | 1.30Å | |
| N7 | C5 | sing | 1.35Å | 1.31Å | Aromatic |
| N7 | C8 | doub | 1.30Å | 1.32Å | Aromatic |
| C6 | C5 | doub | 1.41Å | 1.39Å | Aromatic |
| C6 | N1 | sing | 1.33Å | 1.31Å | Aromatic |
| C5 | C4 | sing | 1.41Å | 1.36Å | Aromatic |
| C8 | N9 | sing | 1.36Å | 1.31Å | Aromatic |
| N1 | C2 | doub | 1.32Å | 1.29Å | Aromatic |
| O2' | C2' | sing | 1.43Å | 1.39Å | |
| C2' | C3' | sing | 1.55Å | 1.51Å | |
| C2' | C1' | sing | 1.55Å | 1.53Å | |
| C4 | N9 | sing | 1.37Å | 1.30Å | Aromatic |
| C4 | N3 | doub | 1.33Å | 1.30Å | Aromatic |
| N9 | C1' | sing | 1.46Å | 1.45Å | |
| C2 | N3 | sing | 1.32Å | 1.29Å | Aromatic |
| O3' | C3' | sing | 1.43Å | 1.41Å | |
| C3' | C4' | sing | 1.54Å | 1.50Å | |
| C1' | O4' | sing | 1.44Å | 1.37Å | |
| O4' | C4' | sing | 1.44Å | 1.35Å | |
| C4' | C5' | sing | 1.53Å | 1.48Å | |
| C5' | O5' | sing | 1.43Å | 1.40Å | |
| O5' | CAH | sing | 1.43Å | 1.37Å | |
| CAH | CAE | sing | 1.47Å | 1.43Å | |
| CAE | CAA | trip | 1.17Å | 1.15Å | |
| CAA | HAA | sing | 1.05Å | 1.06Å | |
| CAH | HAH1 | sing | 1.09Å | 1.10Å | |
| CAH | HAH2 | sing | 1.09Å | 1.10Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'' | sing | 1.09Å | 1.10Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N6 | H61 | sing | 0.97Å | 1.00Å | |
| N6 | H62 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N6 | C6 | C5 | 124.6° | 120.8° |
| N6 | C6 | N1 | 117.6° | 120.8° |
| C6 | N6 | H61 | 109.5° | 120.0° |
| C6 | N6 | H62 | 109.4° | 120.0° |
| C5 | N7 | C8 | 108.8° | 109.5° |
| N7 | C5 | C6 | 136.1° | 134.7° |
| N7 | C5 | C4 | 105.8° | 107.1° |
| N7 | C8 | N9 | 108.9° | 109.9° |
| N7 | C8 | H8 | 125.6° | 125.0° |
| C5 | C6 | N1 | 117.8° | 118.4° |
| C6 | C5 | C4 | 118.1° | 118.2° |
| C6 | N1 | C2 | 121.7° | 121.2° |
| C5 | C4 | N9 | 108.8° | 106.0° |
| C5 | C4 | N3 | 119.8° | 119.1° |
| C8 | N9 | C4 | 107.7° | 107.4° |
| C8 | N9 | C1' | 127.8° | 126.3° |
| N9 | C8 | H8 | 125.5° | 125.0° |
| N1 | C2 | N3 | 121.7° | 122.5° |
| N1 | C2 | H2 | 119.1° | 118.8° |
| O2' | C2' | C3' | 110.2° | 110.9° |
| O2' | C2' | C1' | 108.9° | 110.9° |
| O2' | C2' | H2' | 112.9° | 110.8° |
| C2' | O2' | HO2' | 109.5° | 114.0° |
| C3' | C2' | C1' | 102.8° | 102.1° |
| C2' | C3' | O3' | 113.4° | 110.6° |
| C2' | C3' | C4' | 97.8° | 104.2° |
| C2' | C3' | H3' | 110.8° | 110.5° |
| C3' | C2' | H2' | 110.9° | 110.9° |
| C2' | C1' | N9 | 112.3° | 110.7° |
| C2' | C1' | O4' | 105.5° | 103.5° |
| C1' | C2' | H2' | 110.6° | 110.9° |
| C2' | C1' | H1' | 110.0° | 110.6° |
| N9 | C4 | N3 | 131.5° | 134.9° |
| C4 | N9 | C1' | 124.5° | 126.3° |
| C4 | N3 | C2 | 120.9° | 120.6° |
| N9 | C1' | O4' | 105.3° | 110.7° |
| N9 | C1' | H1' | 111.1° | 110.7° |
| N3 | C2 | H2 | 119.1° | 118.7° |
| O3' | C3' | C4' | 110.5° | 110.5° |
| O3' | C3' | H3' | 112.4° | 110.5° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| C3' | C4' | O4' | 103.4° | 107.4° |
| C3' | C4' | C5' | 109.2° | 109.9° |
| C3' | C4' | H4' | 112.0° | 109.9° |
| C4' | C3' | H3' | 111.0° | 110.5° |
| C1' | O4' | C4' | 105.2° | 107.0° |
| O4' | C1' | H1' | 112.4° | 110.6° |
| O4' | C4' | C5' | 104.4° | 109.9° |
| O4' | C4' | H4' | 114.7° | 109.9° |
| C4' | C5' | O5' | 102.2° | 109.5° |
| C4' | C5' | H5' | 111.2° | 109.5° |
| C4' | C5' | H5'' | 111.2° | 109.5° |
| C5' | C4' | H4' | 112.5° | 109.9° |
| C5' | O5' | CAH | 112.9° | 114.0° |
| O5' | C5' | H5' | 111.3° | 109.5° |
| O5' | C5' | H5'' | 111.3° | 109.5° |
| O5' | CAH | CAE | 106.4° | 109.5° |
| O5' | CAH | HAH1 | 110.2° | 109.4° |
| O5' | CAH | HAH2 | 110.2° | 109.5° |
| CAH | CAE | CAA | 178.2° | 180.0° |
| CAE | CAH | HAH1 | 110.2° | 109.4° |
| CAE | CAH | HAH2 | 110.2° | 109.5° |
| CAE | CAA | HAA | 180.0° | 180.0° |
| HAH1 | CAH | HAH2 | 109.5° | 109.5° |
| H5' | C5' | H5'' | 109.5° | 109.5° |
| H61 | N6 | H62 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N6 | C6 | C5 | N7 | 1.2° | 0.0° |
| N6 | C6 | C5 | N1 | 179.1° | 179.9° |
| N6 | C6 | C5 | C4 | 180.0° | 179.7° |
| N6 | C6 | N1 | C2 | 179.5° | 179.7° |
| C6 | N6 | H61 | H62 | 120.0° | 180.0° |
| N7 | C5 | C6 | C4 | 178.8° | 179.7° |
| N7 | C5 | C6 | N1 | 179.7° | 179.9° |
| C5 | N7 | C8 | N9 | 0.2° | 0.1° |
| N7 | C5 | C4 | N9 | 0.1° | 0.4° |
| N7 | C5 | C4 | N3 | 179.9° | 180.0° |
| C5 | N7 | C8 | H8 | 179.8° | 179.9° |
| C8 | N7 | C5 | C6 | 179.1° | 180.0° |
| C8 | N7 | C5 | C4 | 0.2° | 0.3° |
| N7 | C8 | N9 | H8 | 180.0° | 179.9° |
| N7 | C8 | N9 | C4 | 0.2° | 0.3° |
| N7 | C8 | N9 | C1' | 179.9° | 180.0° |
| C5 | C6 | N1 | C2 | 0.3° | 0.4° |
| C6 | C5 | C4 | N9 | 179.2° | 179.8° |
| C6 | C5 | C4 | N3 | 0.8° | 0.2° |
| C5 | C6 | N6 | H61 | 179.1° | 0.0° |
| C5 | C6 | N6 | H62 | 59.1° | 180.0° |
| N1 | C6 | C5 | C4 | 0.9° | 0.4° |
| C6 | N1 | C2 | N3 | 0.5° | 0.2° |
| C6 | N1 | C2 | H2 | 179.5° | 179.8° |
| N1 | C6 | N6 | H61 | 0.0° | 179.9° |
| N1 | C6 | N6 | H62 | 120.0° | 0.1° |
| C5 | C4 | N9 | C8 | 0.0° | 0.5° |
| C5 | C4 | N9 | N3 | 180.0° | 179.4° |
| C5 | C4 | N9 | C1' | 180.0° | 179.9° |
| C5 | C4 | N3 | C2 | 0.0° | 0.0° |
| C8 | N9 | C1' | C2' | 59.2° | 94.9° |
| C8 | N9 | C4 | C1' | 179.9° | 179.6° |
| C8 | N9 | C4 | N3 | 180.0° | 179.9° |
| C8 | N9 | C1' | O4' | 55.2° | 19.2° |
| C8 | N9 | C1' | H1' | 177.2° | 142.1° |
| N1 | C2 | N3 | C4 | 0.6° | 0.0° |
| N1 | C2 | N3 | H2 | 180.0° | 180.0° |
| O2' | C2' | C3' | C1' | 115.9° | 118.2° |
| O2' | C2' | C3' | H2' | 125.8° | 123.6° |
| O2' | C2' | C1' | H2' | 124.6° | 123.6° |
| O2' | C2' | C1' | N9 | 127.3° | 86.3° |
| O2' | C2' | C3' | O3' | 25.8° | 20.4° |
| O2' | C2' | C3' | C4' | 90.6° | 139.1° |
| O2' | C2' | C1' | O4' | 118.5° | 155.2° |
| O2' | C2' | C3' | H3' | 153.4° | 102.3° |
| O2' | C2' | C1' | H1' | 3.0° | 36.7° |
| C3' | C2' | C1' | H2' | 118.5° | 118.2° |
| C3' | C2' | C1' | N9 | 115.9° | 155.5° |
| C2' | C3' | O3' | C4' | 108.7° | 114.8° |
| C2' | C3' | O3' | H3' | 126.7° | 122.7° |
| C2' | C3' | C4' | H3' | 115.9° | 118.7° |
| C3' | C2' | C1' | O4' | 1.6° | 37.0° |
| C2' | C3' | C4' | O4' | 46.4° | 2.0° |
| C2' | C3' | C4' | C5' | 157.1° | 121.5° |
| C2' | C3' | C4' | H4' | 77.7° | 117.6° |
| C2' | C3' | O3' | HO3' | 180.0° | 65.1° |
| C3' | C2' | O2' | HO2' | 180.0° | 61.4° |
| C3' | C2' | C1' | H1' | 119.9° | 81.5° |
| C2' | C1' | N9 | C4 | 120.9° | 84.7° |
| C2' | C1' | N9 | O4' | 114.4° | 114.1° |
| C2' | C1' | N9 | H1' | 123.6° | 123.0° |
| C1' | C2' | C3' | O3' | 141.7° | 97.8° |
| C1' | C2' | C3' | C4' | 25.3° | 20.9° |
| C2' | C1' | O4' | H1' | 119.9° | 118.5° |
| C2' | C1' | O4' | C4' | 32.2° | 39.9° |
| C1' | C2' | C3' | H3' | 90.7° | 139.5° |
| C1' | C2' | O2' | HO2' | 67.9° | 174.1° |
| N9 | C4 | N3 | C2 | 180.0° | 179.4° |
| C4 | N9 | C1' | O4' | 124.7° | 161.2° |
| C4 | N9 | C1' | H1' | 2.7° | 38.3° |
| C4 | N9 | C8 | H8 | 179.8° | 179.8° |
| N3 | C4 | N9 | C1' | 0.0° | 0.4° |
| C4 | N3 | C2 | H2 | 179.4° | 180.0° |
| N9 | C1' | O4' | H1' | 121.2° | 123.0° |
| N9 | C1' | O4' | C4' | 151.1° | 158.5° |
| N9 | C1' | C2' | H2' | 2.6° | 37.3° |
| C1' | N9 | C8 | H8 | 0.1° | 0.1° |
| O3' | C3' | C4' | H3' | 125.4° | 122.5° |
| O3' | C3' | C4' | O4' | 165.0° | 120.8° |
| O3' | C3' | C4' | C5' | 84.3° | 119.7° |
| O3' | C3' | C4' | H4' | 41.0° | 1.2° |
| O3' | C3' | C2' | H2' | 100.0° | 144.0° |
| C3' | C4' | O4' | C1' | 50.7° | 26.5° |
| C3' | C4' | O4' | C5' | 114.2° | 119.5° |
| C3' | C4' | O4' | H4' | 122.3° | 119.5° |
| C3' | C4' | C5' | H4' | 125.0° | 121.0° |
| C3' | C4' | C5' | O5' | 118.1° | 175.3° |
| C3' | C4' | C5' | H5' | 0.8° | 64.7° |
| C3' | C4' | C5' | H5'' | 123.1° | 55.3° |
| C4' | C3' | O3' | HO3' | 71.3° | 179.9° |
| C4' | C3' | C2' | H2' | 143.6° | 97.3° |
| C1' | O4' | C4' | C5' | 164.9° | 145.9° |
| C1' | O4' | C4' | H4' | 71.5° | 93.1° |
| O4' | C1' | C2' | H2' | 116.9° | 81.3° |
| O4' | C4' | C5' | H4' | 125.0° | 121.0° |
| O4' | C4' | C5' | O5' | 131.9° | 66.7° |
| O4' | C4' | C5' | H5' | 109.3° | 53.2° |
| O4' | C4' | C5' | H5'' | 13.1° | 173.3° |
| O4' | C4' | C3' | H3' | 69.5° | 116.7° |
| C4' | O4' | C1' | H1' | 87.7° | 78.5° |
| C4' | C5' | O5' | H5' | 118.8° | 120.0° |
| C4' | C5' | O5' | H5'' | 118.8° | 120.0° |
| C4' | C5' | O5' | CAH | 109.2° | 180.0° |
| C4' | C5' | H5' | H5'' | 123.3° | 120.0° |
| C5' | C4' | C3' | H3' | 41.2° | 2.8° |
| C5' | O5' | CAH | CAE | 43.7° | 180.0° |
| C5' | O5' | CAH | HAH1 | 75.8° | 60.0° |
| C5' | O5' | CAH | HAH2 | 163.2° | 60.0° |
| O5' | C5' | H5' | H5'' | 123.4° | 120.0° |
| O5' | C5' | C4' | H4' | 6.9° | 54.3° |
| O5' | CAH | CAE | HAH1 | 119.5° | 119.9° |
| O5' | CAH | CAE | HAH2 | 119.5° | 120.0° |
| O5' | CAH | CAE | CAA | 71.7° | 103.8° |
| O5' | CAH | HAH1 | HAH2 | 121.4° | 120.0° |
| CAH | O5' | C5' | H5' | 132.0° | 60.1° |
| CAH | O5' | C5' | H5'' | 9.6° | 60.0° |
| CAH | CAE | CAA | HAA | 97.6° | 106.7° |
| CAE | CAH | HAH1 | HAH2 | 121.4° | 120.0° |
| CAA | CAE | CAH | HAH1 | 47.9° | 136.2° |
| CAA | CAE | CAH | HAH2 | 168.8° | 16.2° |
| H5' | C5' | C4' | H4' | 125.7° | 174.3° |
| H5'' | C5' | C4' | H4' | 111.9° | 65.7° |
| H4' | C4' | C3' | H3' | 166.4° | 123.8° |
| H3' | C3' | O3' | HO3' | 53.3° | 57.5° |
| H3' | C3' | C2' | H2' | 27.6° | 21.3° |
| H2' | C2' | O2' | HO2' | 55.3° | 62.3° |
| H2' | C2' | C1' | H1' | 121.7° | 160.3° |
