AGV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5' | C5' | sing | 1.43Å | 1.43Å | |
| C5' | C4' | sing | 1.53Å | 1.52Å | |
| O3' | C3' | sing | 1.43Å | 1.43Å | |
| C3' | C4' | sing | 1.54Å | 1.54Å | |
| C3' | C2' | sing | 1.55Å | 1.54Å | |
| C4' | N4' | sing | 1.47Å | 1.51Å | |
| C2' | O2' | sing | 1.43Å | 1.44Å | |
| C2' | C1' | sing | 1.55Å | 1.48Å | |
| N4' | C1' | sing | 1.48Å | 1.50Å | |
| N4' | C7 | sing | 1.47Å | 1.55Å | |
| C8 | C9 | doub | 1.35Å | 1.37Å | Aromatic |
| C8 | N7 | sing | 1.36Å | 1.36Å | Aromatic |
| C7 | C9 | sing | 1.51Å | 1.50Å | |
| C9 | C4 | sing | 1.46Å | 1.41Å | Aromatic |
| N7 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.41Å | 1.40Å | Aromatic |
| C4 | N3 | doub | 1.34Å | 1.34Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.40Å | Aromatic |
| N3 | C2 | sing | 1.31Å | 1.35Å | Aromatic |
| C6 | N6 | sing | 1.39Å | 1.33Å | |
| C6 | N1 | sing | 1.33Å | 1.35Å | Aromatic |
| C2 | N1 | doub | 1.32Å | 1.33Å | Aromatic |
| O5' | H1 | sing | 0.97Å | 0.95Å | |
| C5' | H2 | sing | 1.09Å | 1.10Å | |
| C5' | H3 | sing | 1.09Å | 1.10Å | |
| C4' | H4 | sing | 1.09Å | 1.10Å | |
| C3' | H5 | sing | 1.09Å | 1.10Å | |
| O3' | H6 | sing | 0.97Å | 0.95Å | |
| C1' | H8 | sing | 1.09Å | 1.10Å | |
| C1' | H9 | sing | 1.09Å | 1.10Å | |
| C2' | H10 | sing | 1.09Å | 1.10Å | |
| O2' | H11 | sing | 0.97Å | 0.95Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.08Å | 1.08Å | |
| N7 | H15 | sing | 0.97Å | 1.00Å | |
| N6 | H16 | sing | 0.97Å | 1.00Å | |
| N6 | H17 | sing | 0.97Å | 1.00Å | |
| C2 | H18 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5' | C5' | C4' | 115.8° | 109.5° |
| C5' | O5' | H1 | 109.5° | 114.0° |
| O5' | C5' | H2 | 107.9° | 109.5° |
| O5' | C5' | H3 | 107.9° | 109.5° |
| C5' | C4' | C3' | 113.8° | 109.9° |
| C5' | C4' | N4' | 114.8° | 109.9° |
| C4' | C5' | H2 | 107.9° | 109.5° |
| C4' | C5' | H3 | 107.9° | 109.5° |
| C5' | C4' | H4 | 108.6° | 109.9° |
| O3' | C3' | C4' | 111.3° | 110.7° |
| O3' | C3' | C2' | 112.3° | 110.7° |
| O3' | C3' | H5 | 110.1° | 110.8° |
| C3' | O3' | H6 | 109.5° | 114.0° |
| C4' | C3' | C2' | 105.6° | 103.0° |
| C3' | C4' | N4' | 102.0° | 107.2° |
| C3' | C4' | H4 | 108.5° | 110.0° |
| C4' | C3' | H5 | 108.7° | 110.7° |
| C3' | C2' | O2' | 113.0° | 111.0° |
| C3' | C2' | C1' | 107.6° | 101.6° |
| C2' | C3' | H5 | 108.6° | 110.7° |
| C3' | C2' | H10 | 108.6° | 111.0° |
| C4' | N4' | C1' | 105.5° | 108.5° |
| C4' | N4' | C7 | 118.9° | 111.1° |
| N4' | C4' | H4 | 108.8° | 109.9° |
| O2' | C2' | C1' | 108.3° | 111.0° |
| O2' | C2' | H10 | 109.9° | 110.9° |
| C2' | O2' | H11 | 109.5° | 114.0° |
| C2' | C1' | N4' | 104.0° | 104.8° |
| C2' | C1' | H8 | 110.8° | 110.4° |
| C2' | C1' | H9 | 110.8° | 110.5° |
| C1' | C2' | H10 | 109.4° | 111.0° |
| C1' | N4' | C7 | 117.3° | 111.0° |
| N4' | C1' | H8 | 110.8° | 110.4° |
| N4' | C1' | H9 | 110.8° | 110.3° |
| N4' | C7 | C9 | 113.5° | 109.5° |
| N4' | C7 | H12 | 108.5° | 109.4° |
| N4' | C7 | H13 | 108.5° | 109.5° |
| C9 | C8 | N7 | 108.4° | 109.9° |
| C8 | C9 | C7 | 124.5° | 126.4° |
| C8 | C9 | C4 | 107.0° | 107.1° |
| C9 | C8 | H14 | 125.8° | 125.1° |
| C8 | N7 | C5 | 110.4° | 109.8° |
| N7 | C8 | H14 | 125.8° | 125.0° |
| C8 | N7 | H15 | 124.8° | 125.1° |
| C7 | C9 | C4 | 128.4° | 126.5° |
| C9 | C7 | H12 | 108.4° | 109.5° |
| C9 | C7 | H13 | 108.4° | 109.5° |
| C9 | C4 | C5 | 108.3° | 105.9° |
| C9 | C4 | N3 | 131.7° | 134.9° |
| N7 | C5 | C4 | 105.8° | 107.3° |
| N7 | C5 | C6 | 133.2° | 134.6° |
| C5 | N7 | H15 | 124.8° | 125.1° |
| C5 | C4 | N3 | 120.0° | 119.2° |
| C4 | C5 | C6 | 120.9° | 118.1° |
| C4 | N3 | C2 | 116.3° | 120.4° |
| C5 | C6 | N6 | 123.4° | 120.7° |
| C5 | C6 | N1 | 117.0° | 118.6° |
| N3 | C2 | N1 | 126.5° | 122.4° |
| N3 | C2 | H18 | 116.7° | 118.8° |
| N6 | C6 | N1 | 119.6° | 120.7° |
| C6 | N6 | H16 | 109.5° | 120.0° |
| C6 | N6 | H17 | 109.5° | 120.0° |
| C6 | N1 | C2 | 119.2° | 121.3° |
| N1 | C2 | H18 | 116.8° | 118.8° |
| H2 | C5' | H3 | 109.4° | 109.5° |
| H8 | C1' | H9 | 109.5° | 110.3° |
| H12 | C7 | H13 | 109.5° | 109.4° |
| H16 | N6 | H17 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5' | C5' | C4' | H2 | 120.9° | 120.0° |
| O5' | C5' | C4' | H3 | 120.9° | 120.0° |
| O5' | C5' | C4' | C3' | 164.8° | 58.0° |
| O5' | C5' | C4' | N4' | 78.2° | 175.8° |
| O5' | C5' | H2 | H3 | 117.1° | 120.1° |
| O5' | C5' | C4' | H4 | 43.8° | 63.2° |
| C5' | C4' | C3' | O3' | 137.1° | 99.9° |
| C5' | C4' | C3' | N4' | 124.2° | 119.4° |
| C5' | C4' | C3' | H4 | 121.1° | 121.1° |
| C5' | C4' | C3' | C2' | 100.7° | 141.7° |
| C5' | C4' | N4' | H4 | 121.9° | 121.0° |
| C5' | C4' | N4' | C1' | 85.6° | 118.4° |
| C5' | C4' | N4' | C7 | 48.6° | 3.8° |
| C4' | C5' | O5' | H1 | 180.0° | 180.0° |
| C4' | C5' | H2 | H3 | 117.2° | 120.0° |
| C5' | C4' | C3' | H5 | 15.7° | 23.3° |
| O3' | C3' | C4' | C2' | 122.2° | 118.4° |
| O3' | C3' | C4' | H5 | 121.4° | 123.2° |
| O3' | C3' | C2' | H5 | 122.0° | 123.3° |
| O3' | C3' | C4' | N4' | 98.7° | 140.7° |
| O3' | C3' | C2' | O2' | 0.9° | 35.9° |
| O3' | C3' | C2' | C1' | 120.4° | 154.0° |
| O3' | C3' | C4' | H4 | 16.1° | 21.2° |
| O3' | C3' | C2' | H10 | 121.3° | 87.9° |
| C4' | C3' | C2' | H5 | 116.4° | 118.3° |
| C3' | C4' | N4' | H4 | 114.5° | 119.6° |
| C4' | C3' | C2' | O2' | 120.6° | 82.5° |
| C4' | C3' | C2' | C1' | 1.1° | 35.7° |
| C3' | C4' | N4' | C1' | 38.0° | 1.0° |
| C3' | C4' | N4' | C7 | 172.2° | 123.3° |
| C3' | C4' | C5' | H2 | 74.3° | 178.0° |
| C3' | C4' | C5' | H3 | 43.9° | 62.0° |
| C4' | C3' | O3' | H6 | 180.0° | 179.9° |
| C4' | C3' | C2' | H10 | 117.2° | 153.8° |
| C2' | C3' | C4' | N4' | 23.5° | 22.3° |
| C3' | C2' | O2' | C1' | 119.1° | 112.3° |
| C3' | C2' | O2' | H10 | 121.5° | 123.8° |
| C3' | C2' | C1' | H10 | 117.8° | 118.1° |
| C3' | C2' | C1' | N4' | 22.2° | 37.1° |
| C2' | C3' | C4' | H4 | 138.3° | 97.2° |
| C2' | C3' | O3' | H6 | 61.8° | 66.4° |
| C3' | C2' | C1' | H8 | 96.9° | 155.9° |
| C3' | C2' | C1' | H9 | 141.3° | 81.8° |
| C3' | C2' | O2' | H11 | 180.0° | 180.0° |
| C4' | N4' | C1' | C2' | 38.0° | 24.1° |
| C4' | N4' | C1' | C7 | 135.1° | 122.3° |
| C4' | N4' | C7 | C9 | 98.2° | 172.7° |
| N4' | C4' | C5' | H2 | 42.7° | 64.2° |
| N4' | C4' | C5' | H3 | 160.9° | 55.8° |
| N4' | C4' | C3' | H5 | 139.9° | 96.1° |
| C4' | N4' | C1' | H8 | 81.1° | 142.9° |
| C4' | N4' | C1' | H9 | 157.1° | 94.9° |
| C4' | N4' | C7 | H12 | 141.2° | 52.7° |
| C4' | N4' | C7 | H13 | 22.3° | 67.3° |
| O2' | C2' | C1' | H10 | 119.7° | 123.8° |
| O2' | C2' | C1' | N4' | 100.3° | 81.0° |
| O2' | C2' | C3' | H5 | 123.0° | 159.2° |
| O2' | C2' | C1' | H8 | 140.6° | 37.8° |
| O2' | C2' | C1' | H9 | 18.9° | 160.1° |
| C2' | C1' | N4' | H8 | 119.1° | 118.8° |
| C2' | C1' | N4' | H9 | 119.1° | 119.0° |
| C2' | C1' | N4' | C7 | 173.1° | 146.4° |
| C1' | C2' | C3' | H5 | 117.6° | 82.7° |
| C2' | C1' | H8 | H9 | 122.5° | 122.5° |
| C1' | C2' | O2' | H11 | 60.9° | 67.7° |
| C1' | N4' | C7 | C9 | 30.7° | 66.5° |
| C1' | N4' | C4' | H4 | 152.5° | 120.6° |
| N4' | C1' | H8 | H9 | 122.5° | 122.2° |
| N4' | C1' | C2' | H10 | 140.0° | 155.1° |
| C1' | N4' | C7 | H12 | 89.8° | 173.5° |
| C1' | N4' | C7 | H13 | 151.3° | 53.6° |
| N4' | C7 | C9 | C8 | 100.8° | 99.7° |
| N4' | C7 | C9 | H12 | 120.6° | 120.0° |
| N4' | C7 | C9 | H13 | 120.6° | 120.1° |
| N4' | C7 | C9 | C4 | 78.9° | 80.0° |
| C7 | N4' | C4' | H4 | 73.3° | 117.2° |
| C7 | N4' | C1' | H8 | 54.0° | 94.7° |
| C7 | N4' | C1' | H9 | 67.8° | 27.4° |
| N4' | C7 | H12 | H13 | 118.2° | 120.0° |
| C9 | C8 | N7 | H14 | 180.0° | 180.0° |
| C8 | C9 | C7 | C4 | 179.7° | 179.7° |
| C9 | C8 | N7 | C5 | 0.3° | 0.1° |
| C8 | C9 | C4 | C5 | 0.0° | 0.4° |
| C8 | C9 | C4 | N3 | 178.6° | 179.7° |
| C8 | C9 | C7 | H12 | 138.6° | 140.3° |
| C8 | C9 | C7 | H13 | 19.8° | 20.4° |
| C9 | C8 | N7 | H15 | 179.7° | 180.0° |
| N7 | C8 | C9 | C7 | 179.9° | 180.0° |
| N7 | C8 | C9 | C4 | 0.2° | 0.2° |
| C8 | N7 | C5 | H15 | 180.0° | 179.9° |
| C8 | N7 | C5 | C4 | 0.2° | 0.3° |
| C8 | N7 | C5 | C6 | 178.3° | 180.0° |
| C7 | C9 | C4 | C5 | 179.8° | 179.8° |
| C7 | C9 | C4 | N3 | 1.6° | 0.1° |
| C9 | C7 | H12 | H13 | 118.2° | 120.0° |
| C7 | C9 | C8 | H14 | 0.1° | 0.0° |
| C9 | C4 | C5 | N7 | 0.1° | 0.4° |
| C9 | C4 | C5 | N3 | 178.8° | 179.9° |
| C9 | C4 | C5 | C6 | 178.7° | 179.8° |
| C9 | C4 | N3 | C2 | 179.7° | 179.1° |
| C4 | C9 | C7 | H12 | 41.6° | 40.0° |
| C4 | C9 | C7 | H13 | 160.5° | 159.9° |
| C4 | C9 | C8 | H14 | 179.9° | 179.8° |
| N7 | C5 | C4 | C6 | 178.8° | 179.7° |
| N7 | C5 | C4 | N3 | 178.7° | 179.6° |
| N7 | C5 | C6 | N6 | 1.1° | 0.0° |
| N7 | C5 | C6 | N1 | 179.9° | 180.0° |
| C5 | N7 | C8 | H14 | 179.8° | 180.0° |
| C5 | C4 | N3 | C2 | 1.8° | 0.8° |
| C4 | C5 | C6 | N6 | 177.4° | 179.7° |
| C4 | C5 | C6 | N1 | 1.7° | 0.3° |
| C4 | C5 | N7 | H15 | 179.8° | 179.8° |
| N3 | C4 | C5 | C6 | 2.5° | 0.1° |
| C4 | N3 | C2 | N1 | 0.5° | 1.1° |
| C4 | N3 | C2 | H18 | 179.5° | 179.6° |
| C5 | C6 | N6 | N1 | 179.0° | 180.0° |
| C5 | C6 | N1 | C2 | 0.3° | 0.0° |
| C6 | C5 | N7 | H15 | 1.7° | 0.1° |
| C5 | C6 | N6 | H16 | 179.0° | 0.0° |
| C5 | C6 | N6 | H17 | 61.0° | 180.0° |
| N3 | C2 | N1 | C6 | 0.3° | 0.7° |
| N3 | C2 | N1 | H18 | 180.0° | 179.3° |
| N6 | C6 | N1 | C2 | 178.8° | 180.0° |
| C6 | N6 | H16 | H17 | 120.0° | 180.0° |
| N1 | C6 | N6 | H16 | 0.0° | 179.9° |
| N1 | C6 | N6 | H17 | 120.0° | 0.1° |
| C6 | N1 | C2 | H18 | 179.7° | 180.0° |
| H1 | O5' | C5' | H2 | 59.1° | 60.1° |
| H1 | O5' | C5' | H3 | 59.0° | 60.0° |
| H2 | C5' | C4' | H4 | 164.8° | 56.8° |
| H3 | C5' | C4' | H4 | 77.1° | 176.8° |
| H4 | C4' | C3' | H5 | 105.3° | 144.4° |
| H5 | C3' | O3' | H6 | 59.4° | 56.8° |
| H5 | C3' | C2' | H10 | 0.8° | 35.4° |
| H8 | C1' | C2' | H10 | 20.9° | 86.1° |
| H9 | C1' | C2' | H10 | 100.8° | 36.3° |
| H10 | C2' | O2' | H11 | 58.5° | 56.2° |
| H14 | C8 | N7 | H15 | 0.2° | 0.0° |
