HGV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | N1 | doub | 1.32Å | 1.34Å | Aromatic |
| C2 | N3 | sing | 1.32Å | 1.31Å | Aromatic |
| N1 | C6 | sing | 1.33Å | 1.33Å | Aromatic |
| N3 | C4 | doub | 1.33Å | 1.37Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.39Å | |
| C6 | C5 | doub | 1.40Å | 1.41Å | Aromatic |
| C4 | C5 | sing | 1.41Å | 1.40Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.37Å | Aromatic |
| C2' | C1' | sing | 1.54Å | 1.60Å | |
| C2' | C3' | sing | 1.55Å | 1.58Å | |
| C1' | N9 | sing | 1.46Å | 1.45Å | |
| C1' | O4' | sing | 1.44Å | 1.31Å | |
| C5 | N7 | sing | 1.36Å | 1.37Å | Aromatic |
| N9 | C8 | sing | 1.36Å | 1.33Å | Aromatic |
| O3' | C3' | sing | 1.43Å | 1.48Å | |
| C3' | C4' | sing | 1.55Å | 1.34Å | |
| O4' | C4' | sing | 1.44Å | 1.67Å | |
| N7 | C8 | doub | 1.30Å | 1.34Å | Aromatic |
| C4' | C5' | sing | 1.53Å | 1.48Å | |
| O2B | PB | doub | 1.48Å | 1.54Å | |
| C5' | O5' | sing | 1.43Å | 1.45Å | |
| O5' | PA | sing | 1.61Å | 1.60Å | |
| PB | O3A | sing | 1.61Å | 1.60Å | |
| PB | O1B | sing | 1.61Å | 1.52Å | |
| PB | C3B | sing | 1.82Å | 1.84Å | |
| O3A | PA | sing | 1.61Å | 1.61Å | |
| C3B | C4B | sing | 1.53Å | 1.50Å | |
| C3B | PG | sing | 1.82Å | 1.86Å | |
| PA | O2A | doub | 1.48Å | 1.50Å | |
| PA | O1A | sing | 1.61Å | 1.50Å | |
| O3G | PG | doub | 1.48Å | 1.51Å | |
| PG | O1G | sing | 1.61Å | 1.57Å | |
| PG | O2G | sing | 1.61Å | 1.55Å | |
| O1A | H1 | sing | 0.97Å | 0.95Å | |
| O1B | H2 | sing | 0.97Å | 0.95Å | |
| C3B | H3 | sing | 1.09Å | 1.10Å | |
| C4B | H4 | sing | 1.09Å | 1.10Å | |
| C4B | H5 | sing | 1.09Å | 1.10Å | |
| C4B | H6 | sing | 1.09Å | 1.10Å | |
| O1G | H7 | sing | 0.97Å | 0.95Å | |
| O2G | H8 | sing | 0.97Å | 0.95Å | |
| C5' | H9 | sing | 1.09Å | 1.10Å | |
| C5' | H10 | sing | 1.09Å | 1.10Å | |
| C4' | H11 | sing | 1.09Å | 1.10Å | |
| C1' | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H13 | sing | 1.08Å | 1.08Å | |
| N6 | H14 | sing | 0.97Å | 1.00Å | |
| N6 | H15 | sing | 0.97Å | 1.00Å | |
| C8 | H16 | sing | 1.08Å | 1.08Å | |
| C2' | H17 | sing | 1.09Å | 1.10Å | |
| C2' | H18 | sing | 1.09Å | 1.10Å | |
| C3' | H19 | sing | 1.09Å | 1.10Å | |
| O3' | H20 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C2 | N3 | 121.6° | 122.5° |
| C2 | N1 | C6 | 122.4° | 121.2° |
| N1 | C2 | H13 | 119.2° | 118.8° |
| C2 | N3 | C4 | 120.1° | 120.6° |
| N3 | C2 | H13 | 119.2° | 118.8° |
| N1 | C6 | N6 | 121.9° | 120.8° |
| N1 | C6 | C5 | 118.4° | 118.4° |
| N3 | C4 | C5 | 119.7° | 119.1° |
| N3 | C4 | N9 | 134.0° | 134.9° |
| N6 | C6 | C5 | 119.7° | 120.8° |
| C6 | N6 | H14 | 109.5° | 120.0° |
| C6 | N6 | H15 | 109.4° | 120.0° |
| C6 | C5 | C4 | 117.8° | 118.2° |
| C6 | C5 | N7 | 134.9° | 134.7° |
| C5 | C4 | N9 | 106.3° | 106.0° |
| C4 | C5 | N7 | 107.3° | 107.1° |
| C4 | N9 | C1' | 124.9° | 126.3° |
| C4 | N9 | C8 | 108.3° | 107.4° |
| C1' | C2' | C3' | 102.1° | 104.3° |
| C2' | C1' | N9 | 108.2° | 109.9° |
| C2' | C1' | O4' | 107.4° | 107.3° |
| C2' | C1' | H12 | 108.9° | 110.0° |
| C1' | C2' | H17 | 111.3° | 110.4° |
| C1' | C2' | H18 | 111.3° | 110.5° |
| C2' | C3' | O3' | 110.0° | 110.9° |
| C2' | C3' | C4' | 101.8° | 102.0° |
| C3' | C2' | H17 | 111.3° | 110.4° |
| C3' | C2' | H18 | 111.3° | 110.6° |
| C2' | C3' | H19 | 108.9° | 110.9° |
| N9 | C1' | O4' | 107.9° | 109.9° |
| C1' | N9 | C8 | 126.7° | 126.3° |
| N9 | C1' | H12 | 110.9° | 109.9° |
| C1' | O4' | C4' | 106.8° | 107.0° |
| O4' | C1' | H12 | 113.3° | 109.8° |
| C5 | N7 | C8 | 107.6° | 109.5° |
| N9 | C8 | N7 | 110.6° | 110.0° |
| N9 | C8 | H16 | 124.7° | 125.0° |
| O3' | C3' | C4' | 113.1° | 111.1° |
| O3' | C3' | H19 | 110.1° | 110.9° |
| C3' | O3' | H20 | 109.5° | 114.0° |
| C3' | C4' | O4' | 104.5° | 103.6° |
| C3' | C4' | C5' | 115.8° | 110.6° |
| C3' | C4' | H11 | 111.5° | 110.6° |
| C4' | C3' | H19 | 112.4° | 110.8° |
| O4' | C4' | C5' | 108.0° | 110.6° |
| O4' | C4' | H11 | 107.1° | 110.6° |
| N7 | C8 | H16 | 124.7° | 125.1° |
| C4' | C5' | O5' | 110.8° | 109.4° |
| C4' | C5' | H9 | 109.1° | 109.5° |
| C4' | C5' | H10 | 109.2° | 109.5° |
| C5' | C4' | H11 | 109.5° | 110.6° |
| O2B | PB | O3A | 109.9° | 109.5° |
| O2B | PB | O1B | 109.9° | 109.4° |
| O2B | PB | C3B | 106.6° | 109.5° |
| C5' | O5' | PA | 116.0° | 123.0° |
| O5' | C5' | H9 | 109.2° | 109.5° |
| O5' | C5' | H10 | 109.2° | 109.4° |
| O5' | PA | O3A | 106.2° | 109.5° |
| O5' | PA | O2A | 110.1° | 109.5° |
| O5' | PA | O1A | 109.0° | 109.5° |
| O3A | PB | O1B | 111.0° | 109.5° |
| O3A | PB | C3B | 110.3° | 109.5° |
| PB | O3A | PA | 135.2° | 134.0° |
| O1B | PB | C3B | 109.0° | 109.4° |
| PB | O1B | H2 | 109.5° | 114.0° |
| PB | C3B | C4B | 108.9° | 109.5° |
| PB | C3B | PG | 111.4° | 109.5° |
| PB | C3B | H3 | 107.6° | 109.5° |
| O3A | PA | O2A | 107.2° | 109.5° |
| O3A | PA | O1A | 111.0° | 109.5° |
| C4B | C3B | PG | 109.8° | 109.5° |
| C4B | C3B | H3 | 111.7° | 109.4° |
| C3B | C4B | H4 | 109.5° | 109.5° |
| C3B | C4B | H5 | 109.4° | 109.5° |
| C3B | C4B | H6 | 109.4° | 109.5° |
| C3B | PG | O3G | 108.9° | 109.5° |
| C3B | PG | O1G | 110.0° | 109.5° |
| C3B | PG | O2G | 109.0° | 109.5° |
| PG | C3B | H3 | 107.5° | 109.5° |
| O2A | PA | O1A | 113.2° | 109.5° |
| PA | O1A | H1 | 109.5° | 114.0° |
| O3G | PG | O1G | 108.5° | 109.5° |
| O3G | PG | O2G | 111.3° | 109.5° |
| O1G | PG | O2G | 109.2° | 109.5° |
| PG | O1G | H7 | 109.5° | 114.0° |
| PG | O2G | H8 | 109.5° | 114.0° |
| H4 | C4B | H5 | 109.5° | 109.4° |
| H4 | C4B | H6 | 109.5° | 109.5° |
| H5 | C4B | H6 | 109.5° | 109.5° |
| H9 | C5' | H10 | 109.5° | 109.5° |
| H14 | N6 | H15 | 109.5° | 120.0° |
| H17 | C2' | H18 | 109.5° | 110.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | N3 | H13 | 180.0° | 179.9° |
| N1 | C2 | N3 | C4 | 0.1° | 0.0° |
| C2 | N1 | C6 | N6 | 179.5° | 180.0° |
| C2 | N1 | C6 | C5 | 1.4° | 0.0° |
| N3 | C2 | N1 | C6 | 0.9° | 0.1° |
| C2 | N3 | C4 | C5 | 0.1° | 0.0° |
| C2 | N3 | C4 | N9 | 178.5° | 180.0° |
| N1 | C6 | N6 | C5 | 179.1° | 179.9° |
| N1 | C6 | C5 | C4 | 1.2° | 0.0° |
| N1 | C6 | C5 | N7 | 178.9° | 180.0° |
| C6 | N1 | C2 | H13 | 179.1° | 180.0° |
| N1 | C6 | N6 | H14 | 0.0° | 0.1° |
| N1 | C6 | N6 | H15 | 120.0° | 180.0° |
| N3 | C4 | C5 | C6 | 0.5° | 0.1° |
| N3 | C4 | C5 | N9 | 178.9° | 180.0° |
| N3 | C4 | N9 | C1' | 1.7° | 0.0° |
| N3 | C4 | C5 | N7 | 179.6° | 180.0° |
| N3 | C4 | N9 | C8 | 179.9° | 179.7° |
| C4 | N3 | C2 | H13 | 179.8° | 180.0° |
| N6 | C6 | C5 | C4 | 179.7° | 179.9° |
| N6 | C6 | C5 | N7 | 0.2° | 0.0° |
| C6 | N6 | H14 | H15 | 120.0° | 179.9° |
| C6 | C5 | C4 | N7 | 180.0° | 180.0° |
| C6 | C5 | C4 | N9 | 179.3° | 180.0° |
| C6 | C5 | N7 | C8 | 179.8° | 179.8° |
| C5 | C6 | N6 | H14 | 179.1° | 180.0° |
| C5 | C6 | N6 | H15 | 59.1° | 0.0° |
| C5 | C4 | N9 | C1' | 179.6° | 180.0° |
| C5 | C4 | N9 | C8 | 1.3° | 0.2° |
| C4 | C5 | N7 | C8 | 0.1° | 0.3° |
| C4 | N9 | C1' | C2' | 90.4° | 86.0° |
| C4 | N9 | C1' | C8 | 178.0° | 179.7° |
| C4 | N9 | C1' | O4' | 153.7° | 156.2° |
| N9 | C4 | C5 | N7 | 0.7° | 0.0° |
| C4 | N9 | C8 | N7 | 1.4° | 0.4° |
| C4 | N9 | C1' | H12 | 29.0° | 35.2° |
| C4 | N9 | C8 | H16 | 178.6° | 179.8° |
| C1' | C2' | C3' | H17 | 118.8° | 118.6° |
| C1' | C2' | C3' | H18 | 118.8° | 118.7° |
| C2' | C1' | N9 | O4' | 116.0° | 117.8° |
| C2' | C1' | N9 | H12 | 119.4° | 121.2° |
| C2' | C1' | O4' | H12 | 120.3° | 119.6° |
| C2' | C1' | N9 | C8 | 87.7° | 94.3° |
| C1' | C2' | C3' | O3' | 159.6° | 139.1° |
| C1' | C2' | C3' | C4' | 39.3° | 20.7° |
| C2' | C1' | O4' | C4' | 1.5° | 26.5° |
| C1' | C2' | H17 | H18 | 123.4° | 122.6° |
| C1' | C2' | C3' | H19 | 79.6° | 97.3° |
| C3' | C2' | C1' | N9 | 95.1° | 121.6° |
| C3' | C2' | C1' | O4' | 21.2° | 2.2° |
| C2' | C3' | O3' | C4' | 113.1° | 112.7° |
| C2' | C3' | O3' | H19 | 120.1° | 123.6° |
| C2' | C3' | C4' | H19 | 116.4° | 118.0° |
| C2' | C3' | C4' | O4' | 39.8° | 36.9° |
| C2' | C3' | C4' | C5' | 158.4° | 155.4° |
| C2' | C3' | C4' | H11 | 75.6° | 81.7° |
| C3' | C2' | C1' | H12 | 144.3° | 117.3° |
| C3' | C2' | H17 | H18 | 123.4° | 122.7° |
| C2' | C3' | O3' | H20 | 142.0° | 61.5° |
| N9 | C1' | O4' | H12 | 123.2° | 121.0° |
| N9 | C1' | O4' | C4' | 118.0° | 146.0° |
| C1' | N9 | C8 | N7 | 179.7° | 179.9° |
| C1' | N9 | C8 | H16 | 0.3° | 0.0° |
| N9 | C1' | C2' | H17 | 146.1° | 119.9° |
| N9 | C1' | C2' | H18 | 23.8° | 2.8° |
| O4' | C1' | N9 | C8 | 28.3° | 23.5° |
| C1' | O4' | C4' | C3' | 28.5° | 40.0° |
| C1' | O4' | C4' | C5' | 152.2° | 158.5° |
| C1' | O4' | C4' | H11 | 90.0° | 78.6° |
| O4' | C1' | C2' | H17 | 97.6° | 120.7° |
| O4' | C1' | C2' | H18 | 140.1° | 116.6° |
| C5 | N7 | C8 | N9 | 0.9° | 0.4° |
| C5 | N7 | C8 | H16 | 179.1° | 179.7° |
| N9 | C8 | N7 | H16 | 180.0° | 179.8° |
| C8 | N9 | C1' | H12 | 153.0° | 144.5° |
| O3' | C3' | C4' | H19 | 125.5° | 123.7° |
| O3' | C3' | C4' | O4' | 157.8° | 155.1° |
| O3' | C3' | C4' | C5' | 83.6° | 86.4° |
| O3' | C3' | C4' | H11 | 42.5° | 36.5° |
| O3' | C3' | C2' | H17 | 40.8° | 20.5° |
| O3' | C3' | C2' | H18 | 81.6° | 102.2° |
| C3' | C4' | O4' | C5' | 123.8° | 118.5° |
| C3' | C4' | O4' | H11 | 118.4° | 118.6° |
| C3' | C4' | C5' | H11 | 127.1° | 122.9° |
| C3' | C4' | C5' | O5' | 59.4° | 177.1° |
| C3' | C4' | C5' | H9 | 179.6° | 62.8° |
| C3' | C4' | C5' | H10 | 60.8° | 57.2° |
| C4' | C3' | C2' | H17 | 79.5° | 97.9° |
| C4' | C3' | C2' | H18 | 158.2° | 139.4° |
| C4' | C3' | O3' | H20 | 104.9° | 174.2° |
| O4' | C4' | C5' | H11 | 116.3° | 122.9° |
| O4' | C4' | C5' | O5' | 57.2° | 68.7° |
| O4' | C4' | C5' | H9 | 63.0° | 51.4° |
| O4' | C4' | C5' | H10 | 177.4° | 171.4° |
| C4' | O4' | C1' | H12 | 118.8° | 93.0° |
| O4' | C4' | C3' | H19 | 76.6° | 81.2° |
| C4' | C5' | O5' | H9 | 120.2° | 120.0° |
| C4' | C5' | O5' | H10 | 120.2° | 120.0° |
| C4' | C5' | O5' | PA | 131.5° | 180.0° |
| C4' | C5' | H9 | H10 | 119.4° | 120.1° |
| C5' | C4' | C3' | H19 | 42.0° | 37.3° |
| O2B | PB | O3A | O1B | 121.8° | 120.0° |
| O2B | PB | O3A | C3B | 117.3° | 120.1° |
| O2B | PB | O1B | C3B | 116.5° | 120.0° |
| O2B | PB | O3A | PA | 133.7° | 60.0° |
| O2B | PB | C3B | C4B | 89.0° | 165.0° |
| O2B | PB | C3B | PG | 149.7° | 75.0° |
| O2B | PB | O1B | H2 | 0.0° | 180.0° |
| O2B | PB | C3B | H3 | 32.2° | 45.0° |
| C5' | O5' | PA | O3A | 66.8° | 175.1° |
| C5' | O5' | PA | O2A | 177.5° | 55.1° |
| C5' | O5' | PA | O1A | 52.8° | 64.9° |
| O5' | C5' | H9 | H10 | 119.4° | 119.9° |
| O5' | C5' | C4' | H11 | 173.5° | 54.3° |
| O5' | PA | O3A | PB | 103.1° | 165.0° |
| O5' | PA | O3A | O2A | 117.7° | 120.0° |
| O5' | PA | O3A | O1A | 118.3° | 120.0° |
| O5' | PA | O2A | O1A | 122.3° | 120.0° |
| O5' | PA | O1A | H1 | 122.9° | 60.0° |
| PA | O5' | C5' | H9 | 108.3° | 59.9° |
| PA | O5' | C5' | H10 | 11.3° | 60.1° |
| O3A | PB | O1B | C3B | 121.7° | 120.0° |
| O3A | PB | C3B | C4B | 30.3° | 45.0° |
| O3A | PB | C3B | PG | 91.0° | 165.0° |
| PB | O3A | PA | O2A | 139.3° | 45.0° |
| PB | O3A | PA | O1A | 15.3° | 75.0° |
| O3A | PB | O1B | H2 | 121.8° | 60.0° |
| O3A | PB | C3B | H3 | 151.5° | 75.0° |
| O1B | PB | O3A | PA | 11.9° | 60.0° |
| O1B | PB | C3B | C4B | 152.4° | 75.0° |
| O1B | PB | C3B | PG | 31.2° | 45.0° |
| O1B | PB | C3B | H3 | 86.3° | 165.0° |
| C3B | PB | O3A | PA | 109.0° | 180.0° |
| PB | C3B | C4B | PG | 122.2° | 120.0° |
| PB | C3B | C4B | H3 | 118.7° | 120.0° |
| PB | C3B | PG | H3 | 117.6° | 120.0° |
| PB | C3B | PG | O3G | 91.7° | 60.0° |
| PB | C3B | PG | O1G | 27.1° | 60.0° |
| PB | C3B | PG | O2G | 146.7° | 180.0° |
| C3B | PB | O1B | H2 | 116.5° | 60.0° |
| PB | C3B | C4B | H4 | 180.0° | 60.0° |
| PB | C3B | C4B | H5 | 60.0° | 180.0° |
| PB | C3B | C4B | H6 | 60.0° | 60.0° |
| O3A | PA | O2A | O1A | 122.6° | 120.0° |
| O3A | PA | O1A | H1 | 120.5° | 60.0° |
| C4B | C3B | PG | H3 | 121.7° | 120.0° |
| C4B | C3B | PG | O3G | 147.6° | 60.0° |
| C4B | C3B | PG | O1G | 93.6° | 180.0° |
| C4B | C3B | PG | O2G | 26.0° | 60.0° |
| C3B | C4B | H4 | H5 | 120.0° | 120.0° |
| C3B | C4B | H4 | H6 | 120.0° | 120.0° |
| C3B | C4B | H5 | H6 | 120.0° | 120.0° |
| C3B | PG | O3G | O1G | 119.7° | 120.0° |
| C3B | PG | O3G | O2G | 120.2° | 120.0° |
| C3B | PG | O1G | O2G | 119.5° | 120.0° |
| PG | C3B | C4B | H4 | 57.8° | 60.0° |
| PG | C3B | C4B | H5 | 177.8° | 60.0° |
| PG | C3B | C4B | H6 | 62.2° | 180.0° |
| C3B | PG | O1G | H7 | 119.0° | 59.9° |
| C3B | PG | O2G | H8 | 120.1° | 180.0° |
| O2A | PA | O1A | H1 | 0.0° | 180.0° |
| O3G | PG | O1G | O2G | 121.5° | 120.0° |
| O3G | PG | C3B | H3 | 25.9° | 180.0° |
| O3G | PG | O1G | H7 | 0.0° | 180.0° |
| O3G | PG | O2G | H8 | 0.0° | 60.0° |
| O1G | PG | C3B | H3 | 144.7° | 60.0° |
| O1G | PG | O2G | H8 | 119.7° | 60.0° |
| O2G | PG | C3B | H3 | 95.7° | 60.0° |
| O2G | PG | O1G | H7 | 121.5° | 60.0° |
| H3 | C3B | C4B | H4 | 61.3° | 180.0° |
| H3 | C3B | C4B | H5 | 58.7° | 60.0° |
| H3 | C3B | C4B | H6 | 178.7° | 60.0° |
| H4 | C4B | H5 | H6 | 120.0° | 120.0° |
| H9 | C5' | C4' | H11 | 53.3° | 174.3° |
| H10 | C5' | C4' | H11 | 66.3° | 65.7° |
| H11 | C4' | C3' | H19 | 168.0° | 160.2° |
| H12 | C1' | C2' | H17 | 25.5° | 1.2° |
| H12 | C1' | C2' | H18 | 96.8° | 123.9° |
| H17 | C2' | C3' | H19 | 161.6° | 144.1° |
| H18 | C2' | C3' | H19 | 39.2° | 21.4° |
| H19 | C3' | O3' | H20 | 21.9° | 62.1° |
