HEJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3G | PG | doub | 1.48Å | 1.51Å | |
| O1G | PG | sing | 1.61Å | 1.53Å | |
| PG | O2G | sing | 1.61Å | 1.51Å | |
| PG | O3B | sing | 1.61Å | 1.66Å | |
| O1B | PB | doub | 1.48Å | 1.52Å | |
| O3B | PB | sing | 1.61Å | 1.64Å | |
| O31 | C2' | sing | 1.43Å | 1.51Å | |
| PB | O3A | sing | 1.61Å | 1.61Å | |
| PB | O2B | sing | 1.61Å | 1.52Å | |
| C3' | O3' | sing | 1.43Å | 1.42Å | |
| C3' | C2' | sing | 1.55Å | 1.27Å | |
| C3' | C4' | sing | 1.54Å | 1.65Å | |
| C5' | C4' | sing | 1.53Å | 1.50Å | |
| C5' | O5' | sing | 1.43Å | 1.43Å | |
| O3A | PA | sing | 1.61Å | 1.67Å | |
| C2' | C1' | sing | 1.54Å | 1.55Å | |
| C4' | O4' | sing | 1.44Å | 1.27Å | |
| O5' | PA | sing | 1.61Å | 1.71Å | |
| O2A | PA | doub | 1.48Å | 1.57Å | |
| PA | O1A | sing | 1.61Å | 1.50Å | |
| C1' | O4' | sing | 1.44Å | 1.57Å | |
| C1' | N9 | sing | 1.46Å | 1.34Å | |
| C8 | N9 | sing | 1.36Å | 1.37Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.32Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.33Å | Aromatic |
| N7 | C5 | sing | 1.35Å | 1.37Å | Aromatic |
| C4 | C5 | doub | 1.41Å | 1.41Å | Aromatic |
| C4 | N3 | sing | 1.33Å | 1.36Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.43Å | Aromatic |
| N3 | C2 | doub | 1.32Å | 1.38Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.42Å | |
| C6 | N1 | doub | 1.33Å | 1.33Å | Aromatic |
| C2 | N1 | sing | 1.32Å | 1.35Å | Aromatic |
| N6 | H1 | sing | 0.97Å | 1.00Å | |
| N6 | H2 | sing | 0.97Å | 1.00Å | |
| C2 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C1' | H5 | sing | 1.09Å | 1.10Å | |
| C4' | H6 | sing | 1.09Å | 1.10Å | |
| C5' | H7 | sing | 1.09Å | 1.10Å | |
| C5' | H8 | sing | 1.09Å | 1.10Å | |
| O1A | H9 | sing | 0.97Å | 0.95Å | |
| O2B | H10 | sing | 0.97Å | 0.95Å | |
| O2G | H11 | sing | 0.97Å | 0.95Å | |
| O1G | H12 | sing | 0.97Å | 0.95Å | |
| C3' | H13 | sing | 1.09Å | 1.10Å | |
| O3' | H14 | sing | 0.97Å | 0.95Å | |
| C2' | H15 | sing | 1.09Å | 1.10Å | |
| O31 | H16 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3G | PG | O1G | 113.0° | 109.5° |
| O3G | PG | O2G | 104.5° | 109.5° |
| O3G | PG | O3B | 107.9° | 109.5° |
| O1G | PG | O2G | 118.0° | 109.5° |
| O1G | PG | O3B | 104.8° | 109.5° |
| PG | O1G | H12 | 109.5° | 114.0° |
| O2G | PG | O3B | 108.3° | 109.5° |
| PG | O2G | H11 | 109.5° | 114.0° |
| PG | O3B | PB | 121.4° | 134.0° |
| O1B | PB | O3B | 104.7° | 109.5° |
| O1B | PB | O3A | 104.6° | 109.5° |
| O1B | PB | O2B | 116.6° | 109.5° |
| O3B | PB | O3A | 105.0° | 109.5° |
| O3B | PB | O2B | 111.9° | 109.5° |
| O31 | C2' | C3' | 108.2° | 110.5° |
| O31 | C2' | C1' | 108.3° | 110.5° |
| O31 | C2' | H15 | 109.3° | 110.5° |
| C2' | O31 | H16 | 109.5° | 114.1° |
| O3A | PB | O2B | 113.0° | 109.5° |
| PB | O3A | PA | 124.6° | 134.0° |
| PB | O2B | H10 | 109.5° | 114.0° |
| O3' | C3' | C2' | 106.1° | 110.5° |
| O3' | C3' | C4' | 112.9° | 110.5° |
| O3' | C3' | H13 | 110.2° | 110.4° |
| C3' | O3' | H14 | 109.5° | 114.0° |
| C2' | C3' | C4' | 107.7° | 104.1° |
| C3' | C2' | C1' | 109.1° | 104.1° |
| C2' | C3' | H13 | 112.6° | 110.5° |
| C3' | C2' | H15 | 113.1° | 110.5° |
| C3' | C4' | C5' | 111.0° | 110.5° |
| C3' | C4' | O4' | 105.8° | 104.8° |
| C3' | C4' | H6 | 107.2° | 110.4° |
| C4' | C3' | H13 | 107.3° | 110.6° |
| C4' | C5' | O5' | 111.3° | 109.5° |
| C5' | C4' | O4' | 111.1° | 110.3° |
| C5' | C4' | H6 | 109.0° | 110.3° |
| C4' | C5' | H7 | 109.0° | 109.5° |
| C4' | C5' | H8 | 109.0° | 109.5° |
| C5' | O5' | PA | 116.6° | 123.0° |
| O5' | C5' | H7 | 109.0° | 109.5° |
| O5' | C5' | H8 | 109.0° | 109.5° |
| O3A | PA | O5' | 110.3° | 109.5° |
| O3A | PA | O2A | 100.4° | 109.5° |
| O3A | PA | O1A | 109.5° | 109.5° |
| C2' | C1' | O4' | 102.3° | 104.8° |
| C2' | C1' | N9 | 121.4° | 110.3° |
| C2' | C1' | H5 | 108.1° | 110.5° |
| C1' | C2' | H15 | 108.8° | 110.5° |
| C4' | O4' | C1' | 110.3° | 105.3° |
| O4' | C4' | H6 | 112.6° | 110.4° |
| O5' | PA | O2A | 115.8° | 109.5° |
| O5' | PA | O1A | 108.1° | 109.5° |
| O2A | PA | O1A | 112.6° | 109.5° |
| PA | O1A | H9 | 109.5° | 114.0° |
| O4' | C1' | N9 | 105.2° | 110.4° |
| O4' | C1' | H5 | 107.7° | 110.4° |
| C1' | N9 | C8 | 127.4° | 126.3° |
| C1' | N9 | C4 | 124.5° | 126.2° |
| N9 | C1' | H5 | 111.0° | 110.4° |
| N9 | C8 | N7 | 110.8° | 110.0° |
| C8 | N9 | C4 | 107.6° | 107.4° |
| N9 | C8 | H4 | 124.6° | 125.0° |
| C8 | N7 | C5 | 106.9° | 109.4° |
| N7 | C8 | H4 | 124.6° | 125.0° |
| N9 | C4 | C5 | 107.3° | 106.0° |
| N9 | C4 | N3 | 133.6° | 134.9° |
| N7 | C5 | C4 | 107.4° | 107.2° |
| N7 | C5 | C6 | 135.7° | 134.7° |
| C5 | C4 | N3 | 119.0° | 119.1° |
| C4 | C5 | C6 | 116.9° | 118.1° |
| C4 | N3 | C2 | 121.2° | 120.6° |
| C5 | C6 | N6 | 118.8° | 120.8° |
| C5 | C6 | N1 | 122.4° | 118.5° |
| N3 | C2 | N1 | 121.3° | 122.5° |
| N3 | C2 | H3 | 119.4° | 118.8° |
| N6 | C6 | N1 | 118.7° | 120.7° |
| C6 | N6 | H1 | 109.5° | 120.0° |
| C6 | N6 | H2 | 109.5° | 119.9° |
| C6 | N1 | C2 | 119.1° | 121.2° |
| N1 | C2 | H3 | 119.4° | 118.7° |
| H1 | N6 | H2 | 109.5° | 120.0° |
| H7 | C5' | H8 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3G | PG | O1G | O2G | 122.2° | 120.0° |
| O3G | PG | O1G | O3B | 117.3° | 120.0° |
| O3G | PG | O2G | O3B | 114.8° | 120.0° |
| O3G | PG | O3B | PB | 156.2° | 40.0° |
| O3G | PG | O2G | H11 | 0.0° | 179.9° |
| O3G | PG | O1G | H12 | 135.0° | 60.0° |
| O1G | PG | O2G | O3B | 118.7° | 120.0° |
| O1G | PG | O3B | PB | 35.5° | 160.0° |
| O1G | PG | O2G | H11 | 126.5° | 59.9° |
| O2G | PG | O3B | PB | 91.3° | 80.0° |
| O2G | PG | O1G | H12 | 102.7° | 60.0° |
| PG | O3B | PB | O1B | 33.5° | 40.0° |
| PG | O3B | PB | O3A | 143.5° | 160.0° |
| PG | O3B | PB | O2B | 93.6° | 80.0° |
| O3B | PG | O2G | H11 | 114.8° | 60.1° |
| O3B | PG | O1G | H12 | 17.8° | 180.0° |
| O1B | PB | O3B | O3A | 109.9° | 120.0° |
| O1B | PB | O3B | O2B | 127.2° | 120.0° |
| O1B | PB | O3A | O2B | 127.8° | 120.0° |
| O1B | PB | O3A | PA | 172.0° | 45.0° |
| O1B | PB | O2B | H10 | 0.0° | 180.0° |
| O3B | PB | O3A | O2B | 122.2° | 120.0° |
| O3B | PB | O3A | PA | 62.0° | 165.0° |
| O3B | PB | O2B | H10 | 120.5° | 60.0° |
| O31 | C2' | C3' | O3' | 140.5° | 122.7° |
| O31 | C2' | C3' | C1' | 117.7° | 118.7° |
| O31 | C2' | C3' | H15 | 121.2° | 122.7° |
| O31 | C2' | C3' | C4' | 98.4° | 118.7° |
| O31 | C2' | C1' | H15 | 118.6° | 122.7° |
| O31 | C2' | C1' | O4' | 107.2° | 94.7° |
| O31 | C2' | C1' | N9 | 9.4° | 24.1° |
| O31 | C2' | C1' | H5 | 139.3° | 146.5° |
| O31 | C2' | C3' | H13 | 19.8° | 0.1° |
| PB | O3A | PA | O5' | 33.2° | 160.0° |
| PB | O3A | PA | O2A | 155.8° | 40.0° |
| PB | O3A | PA | O1A | 85.6° | 80.0° |
| O3A | PB | O2B | H10 | 121.2° | 60.0° |
| O2B | PB | O3A | PA | 60.2° | 75.0° |
| O3' | C3' | C2' | C4' | 121.2° | 118.6° |
| O3' | C3' | C2' | H13 | 120.6° | 122.6° |
| O3' | C3' | C4' | H13 | 121.6° | 122.6° |
| O3' | C3' | C4' | C5' | 146.0° | 98.5° |
| O3' | C3' | C2' | C1' | 101.9° | 118.6° |
| O3' | C3' | C4' | O4' | 93.3° | 142.7° |
| O3' | C3' | C4' | H6 | 27.0° | 23.8° |
| O3' | C3' | C2' | H15 | 19.3° | 0.0° |
| C2' | C3' | C4' | H13 | 121.6° | 118.7° |
| C2' | C3' | C4' | C5' | 97.1° | 142.9° |
| C3' | C2' | C1' | H15 | 123.8° | 118.7° |
| C2' | C3' | C4' | O4' | 23.5° | 24.0° |
| C3' | C2' | C1' | O4' | 10.4° | 24.0° |
| C3' | C2' | C1' | N9 | 127.0° | 142.8° |
| C3' | C2' | C1' | H5 | 103.1° | 94.9° |
| C2' | C3' | C4' | H6 | 143.9° | 94.8° |
| C2' | C3' | O3' | H14 | 180.0° | 61.4° |
| C3' | C2' | O31 | H16 | 180.0° | 61.4° |
| C3' | C4' | C5' | O4' | 117.4° | 115.4° |
| C3' | C4' | C5' | H6 | 117.9° | 122.3° |
| C3' | C4' | C5' | O5' | 166.2° | 178.1° |
| C4' | C3' | C2' | C1' | 19.3° | 0.0° |
| C3' | C4' | O4' | H6 | 116.8° | 118.9° |
| C3' | C4' | O4' | C1' | 15.8° | 40.6° |
| C3' | C4' | C5' | H7 | 73.6° | 58.1° |
| C3' | C4' | C5' | H8 | 45.8° | 61.9° |
| C4' | C3' | O3' | H14 | 62.2° | 176.1° |
| C4' | C3' | C2' | H15 | 140.5° | 118.7° |
| C4' | C5' | O5' | H7 | 120.3° | 120.0° |
| C4' | C5' | O5' | H8 | 120.3° | 120.0° |
| C5' | C4' | O4' | H6 | 122.6° | 122.2° |
| C4' | C5' | O5' | PA | 72.9° | 180.0° |
| C5' | C4' | O4' | C1' | 104.8° | 159.5° |
| C4' | C5' | H7 | H8 | 119.1° | 120.0° |
| C5' | C4' | C3' | H13 | 24.4° | 24.1° |
| C5' | O5' | PA | O3A | 97.5° | 175.0° |
| O5' | C5' | C4' | O4' | 48.7° | 66.5° |
| C5' | O5' | PA | O2A | 15.6° | 55.0° |
| C5' | O5' | PA | O1A | 142.9° | 65.0° |
| O5' | C5' | C4' | H6 | 76.0° | 55.8° |
| O5' | C5' | H7 | H8 | 119.2° | 120.0° |
| O3A | PA | O5' | O2A | 113.1° | 120.0° |
| O3A | PA | O5' | O1A | 119.6° | 120.0° |
| O3A | PA | O2A | O1A | 116.3° | 120.0° |
| O3A | PA | O1A | H9 | 110.7° | 60.0° |
| C2' | C1' | O4' | C4' | 5.7° | 40.5° |
| C2' | C1' | O4' | N9 | 127.7° | 118.8° |
| C2' | C1' | O4' | H5 | 113.7° | 118.9° |
| C2' | C1' | N9 | H5 | 128.6° | 122.4° |
| C2' | C1' | N9 | C8 | 76.7° | 91.9° |
| C2' | C1' | N9 | C4 | 112.6° | 89.4° |
| C1' | C2' | C3' | H13 | 137.5° | 118.8° |
| C1' | C2' | O31 | H16 | 61.8° | 176.1° |
| C4' | O4' | C1' | N9 | 122.1° | 159.3° |
| C4' | O4' | C1' | H5 | 119.4° | 78.4° |
| O4' | C4' | C5' | H7 | 169.0° | 173.5° |
| O4' | C4' | C5' | H8 | 71.6° | 53.5° |
| O4' | C4' | C3' | H13 | 145.1° | 94.7° |
| O5' | PA | O2A | O1A | 125.0° | 120.0° |
| PA | O5' | C5' | H7 | 47.3° | 60.0° |
| PA | O5' | C5' | H8 | 166.8° | 60.0° |
| O5' | PA | O1A | H9 | 129.1° | 60.0° |
| O2A | PA | O1A | H9 | 0.0° | 180.0° |
| O4' | C1' | N9 | H5 | 116.3° | 122.3° |
| O4' | C1' | N9 | C8 | 38.4° | 23.4° |
| O4' | C1' | N9 | C4 | 132.3° | 155.3° |
| C1' | O4' | C4' | H6 | 132.6° | 78.3° |
| O4' | C1' | C2' | H15 | 134.2° | 142.6° |
| C1' | N9 | C8 | C4 | 171.9° | 178.9° |
| C1' | N9 | C8 | N7 | 173.9° | 179.9° |
| C1' | N9 | C4 | C5 | 173.5° | 179.9° |
| C1' | N9 | C4 | N3 | 9.4° | 0.8° |
| C1' | N9 | C8 | H4 | 6.1° | 1.1° |
| N9 | C1' | C2' | H15 | 109.2° | 98.5° |
| N9 | C8 | N7 | H4 | 180.0° | 179.0° |
| N9 | C8 | N7 | C5 | 1.8° | 0.6° |
| C8 | N9 | C4 | C5 | 1.2° | 0.9° |
| C8 | N9 | C4 | N3 | 178.4° | 179.8° |
| C8 | N9 | C1' | H5 | 154.7° | 145.7° |
| N7 | C8 | N9 | C4 | 2.0° | 1.0° |
| C8 | N7 | C5 | C4 | 1.0° | 0.0° |
| C8 | N7 | C5 | C6 | 179.8° | 179.3° |
| N9 | C4 | C5 | N7 | 0.2° | 0.6° |
| N9 | C4 | C5 | N3 | 177.6° | 179.4° |
| N9 | C4 | C5 | C6 | 178.9° | 180.0° |
| N9 | C4 | N3 | C2 | 176.5° | 179.5° |
| C4 | N9 | C8 | H4 | 178.0° | 180.0° |
| C4 | N9 | C1' | H5 | 16.0° | 33.0° |
| N7 | C5 | C4 | C6 | 179.1° | 179.4° |
| N7 | C5 | C4 | N3 | 177.8° | 180.0° |
| N7 | C5 | C6 | N6 | 0.9° | 0.5° |
| N7 | C5 | C6 | N1 | 175.1° | 179.8° |
| C5 | N7 | C8 | H4 | 178.2° | 179.6° |
| C5 | C4 | N3 | C2 | 0.4° | 0.3° |
| C4 | C5 | C6 | N6 | 179.7° | 179.7° |
| C4 | C5 | C6 | N1 | 3.7° | 0.6° |
| N3 | C4 | C5 | C6 | 1.3° | 0.6° |
| C4 | N3 | C2 | N1 | 0.0° | 0.1° |
| C4 | N3 | C2 | H3 | 180.0° | 180.0° |
| C5 | C6 | N6 | N1 | 176.2° | 179.7° |
| C5 | C6 | N1 | C2 | 4.2° | 0.3° |
| C5 | C6 | N6 | H1 | 176.2° | 179.7° |
| C5 | C6 | N6 | H2 | 63.8° | 0.5° |
| N3 | C2 | N1 | C6 | 2.3° | 0.0° |
| N3 | C2 | N1 | H3 | 180.0° | 179.9° |
| N6 | C6 | N1 | C2 | 179.8° | 180.0° |
| C6 | N6 | H1 | H2 | 120.0° | 179.8° |
| N1 | C6 | N6 | H1 | 0.0° | 0.0° |
| N1 | C6 | N6 | H2 | 120.0° | 179.7° |
| C6 | N1 | C2 | H3 | 177.7° | 180.0° |
| H5 | C1' | C2' | H15 | 20.7° | 23.8° |
| H6 | C4' | C5' | H7 | 44.3° | 64.2° |
| H6 | C4' | C5' | H8 | 163.7° | 175.8° |
| H6 | C4' | C3' | H13 | 94.5° | 146.4° |
| H13 | C3' | O3' | H14 | 57.8° | 61.2° |
| H13 | C3' | C2' | H15 | 101.3° | 122.6° |
| H15 | C2' | O31 | H16 | 56.5° | 61.2° |
