H84
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | N3 | doub | 1.32Å | 1.33Å | Aromatic |
| C2 | N1 | sing | 1.32Å | 1.32Å | Aromatic |
| N3 | C4 | sing | 1.33Å | 1.39Å | Aromatic |
| N1 | C6 | doub | 1.33Å | 1.36Å | Aromatic |
| C4 | C5 | doub | 1.41Å | 1.38Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.35Å | Aromatic |
| C6 | C5 | sing | 1.41Å | 1.41Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.49Å | |
| C2' | C1' | sing | 1.55Å | 1.32Å | |
| C2' | C3' | sing | 1.55Å | 1.46Å | |
| C1' | N9 | sing | 1.46Å | 1.44Å | |
| C1' | O4' | sing | 1.44Å | 1.60Å | |
| C5 | N7 | sing | 1.35Å | 1.37Å | Aromatic |
| N9 | C8 | sing | 1.36Å | 1.35Å | Aromatic |
| O3' | C3' | sing | 1.43Å | 1.43Å | |
| C3' | C4' | sing | 1.54Å | 1.58Å | |
| O4' | C4' | sing | 1.44Å | 1.22Å | |
| C4' | C5' | sing | 1.53Å | 1.63Å | |
| N7 | C8 | doub | 1.30Å | 1.32Å | Aromatic |
| O2B | PB | doub | 1.48Å | 1.47Å | |
| C5' | O5' | sing | 1.43Å | 1.40Å | |
| O5' | PA | sing | 1.61Å | 1.66Å | |
| PB | O3A | sing | 1.61Å | 1.65Å | |
| PB | O1B | sing | 1.61Å | 1.57Å | |
| PB | C3B | sing | 1.82Å | 1.86Å | |
| O3A | PA | sing | 1.61Å | 1.67Å | |
| BR1 | C3B | sing | 1.97Å | 1.90Å | |
| PA | O2A | doub | 1.48Å | 1.51Å | |
| PA | O1A | sing | 1.61Å | 1.53Å | |
| C3B | BR2 | sing | 1.97Å | 1.94Å | |
| C3B | PG | sing | 1.82Å | 1.86Å | |
| O3G | PG | doub | 1.48Å | 1.51Å | |
| PG | O1G | sing | 1.61Å | 1.53Å | |
| PG | O2G | sing | 1.61Å | 1.50Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| N6 | H2 | sing | 0.97Å | 1.00Å | |
| N6 | H3 | sing | 0.97Å | 1.00Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C1' | H5 | sing | 1.09Å | 1.10Å | |
| O1A | H6 | sing | 0.97Å | 0.95Å | |
| O1G | H7 | sing | 0.97Å | 0.95Å | |
| C2' | H8 | sing | 1.09Å | 1.10Å | |
| C2' | H9 | sing | 1.09Å | 1.10Å | |
| O1B | H10 | sing | 0.97Å | 0.95Å | |
| O2G | H11 | sing | 0.97Å | 0.95Å | |
| C3' | H12 | sing | 1.09Å | 1.10Å | |
| O3' | H13 | sing | 0.97Å | 0.95Å | |
| C4' | H14 | sing | 1.09Å | 1.10Å | |
| C5' | H15 | sing | 1.09Å | 1.10Å | |
| C5' | H16 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N3 | C2 | N1 | 121.5° | 122.5° |
| C2 | N3 | C4 | 118.5° | 120.6° |
| N3 | C2 | H1 | 119.3° | 118.8° |
| C2 | N1 | C6 | 123.3° | 121.2° |
| N1 | C2 | H1 | 119.2° | 118.8° |
| N3 | C4 | C5 | 121.1° | 119.1° |
| N3 | C4 | N9 | 133.0° | 134.9° |
| N1 | C6 | C5 | 117.7° | 118.5° |
| N1 | C6 | N6 | 121.1° | 120.7° |
| C5 | C4 | N9 | 105.9° | 106.0° |
| C4 | C5 | C6 | 118.0° | 118.1° |
| C4 | C5 | N7 | 108.3° | 107.2° |
| C4 | N9 | C1' | 123.7° | 126.3° |
| C4 | N9 | C8 | 108.9° | 107.4° |
| C5 | C6 | N6 | 121.2° | 120.8° |
| C6 | C5 | N7 | 133.8° | 134.7° |
| C6 | N6 | H2 | 109.5° | 120.1° |
| C6 | N6 | H3 | 109.5° | 120.0° |
| C1' | C2' | C3' | 105.4° | 104.1° |
| C2' | C1' | N9 | 108.5° | 110.4° |
| C2' | C1' | O4' | 106.8° | 104.8° |
| C2' | C1' | H5 | 112.7° | 110.5° |
| C1' | C2' | H8 | 110.5° | 110.5° |
| C1' | C2' | H9 | 110.5° | 110.5° |
| C2' | C3' | O3' | 114.5° | 110.6° |
| C2' | C3' | C4' | 100.5° | 104.1° |
| C3' | C2' | H8 | 110.5° | 110.5° |
| C3' | C2' | H9 | 110.5° | 110.5° |
| C2' | C3' | H12 | 110.0° | 110.5° |
| N9 | C1' | O4' | 109.5° | 110.4° |
| C1' | N9 | C8 | 127.3° | 126.3° |
| N9 | C1' | H5 | 110.7° | 110.3° |
| C1' | O4' | C4' | 107.3° | 105.3° |
| O4' | C1' | H5 | 108.5° | 110.4° |
| C5 | N7 | C8 | 107.4° | 109.4° |
| N9 | C8 | N7 | 109.5° | 110.0° |
| N9 | C8 | H4 | 125.3° | 125.0° |
| O3' | C3' | C4' | 112.4° | 110.5° |
| O3' | C3' | H12 | 110.5° | 110.5° |
| C3' | O3' | H13 | 109.5° | 114.0° |
| C3' | C4' | O4' | 105.7° | 104.8° |
| C3' | C4' | C5' | 111.0° | 110.4° |
| C4' | C3' | H12 | 108.4° | 110.5° |
| C3' | C4' | H14 | 108.1° | 110.4° |
| O4' | C4' | C5' | 110.7° | 110.4° |
| O4' | C4' | H14 | 113.8° | 110.4° |
| C4' | C5' | O5' | 108.6° | 109.5° |
| C5' | C4' | H14 | 107.6° | 110.3° |
| C4' | C5' | H15 | 109.7° | 109.5° |
| C4' | C5' | H16 | 109.7° | 109.4° |
| N7 | C8 | H4 | 125.3° | 125.0° |
| O2B | PB | O3A | 106.9° | 109.5° |
| O2B | PB | O1B | 111.2° | 109.4° |
| O2B | PB | C3B | 110.8° | 109.5° |
| C5' | O5' | PA | 116.1° | 123.0° |
| O5' | C5' | H15 | 109.7° | 109.5° |
| O5' | C5' | H16 | 109.7° | 109.5° |
| O5' | PA | O3A | 104.9° | 109.4° |
| O5' | PA | O2A | 108.7° | 109.5° |
| O5' | PA | O1A | 109.0° | 109.5° |
| O3A | PB | O1B | 111.2° | 109.5° |
| O3A | PB | C3B | 103.7° | 109.5° |
| PB | O3A | PA | 128.4° | 134.0° |
| O1B | PB | C3B | 112.7° | 109.5° |
| PB | O1B | H10 | 109.5° | 114.0° |
| PB | C3B | BR1 | 114.8° | 109.4° |
| PB | C3B | BR2 | 108.6° | 109.5° |
| PB | C3B | PG | 111.9° | 109.5° |
| O3A | PA | O2A | 106.4° | 109.5° |
| O3A | PA | O1A | 115.0° | 109.5° |
| BR1 | C3B | BR2 | 100.9° | 109.5° |
| BR1 | C3B | PG | 111.5° | 109.5° |
| O2A | PA | O1A | 112.4° | 109.5° |
| PA | O1A | H6 | 109.5° | 114.0° |
| BR2 | C3B | PG | 108.3° | 109.5° |
| C3B | PG | O3G | 107.4° | 109.5° |
| C3B | PG | O1G | 103.7° | 109.4° |
| C3B | PG | O2G | 105.6° | 109.5° |
| O3G | PG | O1G | 115.3° | 109.5° |
| O3G | PG | O2G | 112.5° | 109.5° |
| O1G | PG | O2G | 111.3° | 109.5° |
| PG | O1G | H7 | 109.5° | 114.0° |
| PG | O2G | H11 | 109.5° | 114.0° |
| H2 | N6 | H3 | 109.4° | 119.9° |
| H8 | C2' | H9 | 109.5° | 110.6° |
| H15 | C5' | H16 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N3 | C2 | N1 | H1 | 180.0° | 180.0° |
| N3 | C2 | N1 | C6 | 0.4° | 0.0° |
| C2 | N3 | C4 | C5 | 0.3° | 0.0° |
| C2 | N3 | C4 | N9 | 179.1° | 180.0° |
| N1 | C2 | N3 | C4 | 0.4° | 0.0° |
| C2 | N1 | C6 | C5 | 0.2° | 0.0° |
| C2 | N1 | C6 | N6 | 179.3° | 180.0° |
| N3 | C4 | C5 | N9 | 179.5° | 180.0° |
| N3 | C4 | C5 | C6 | 0.1° | 0.0° |
| N3 | C4 | N9 | C1' | 2.5° | 0.0° |
| N3 | C4 | C5 | N7 | 179.8° | 180.0° |
| N3 | C4 | N9 | C8 | 179.7° | 180.0° |
| C4 | N3 | C2 | H1 | 179.6° | 180.0° |
| N1 | C6 | C5 | C4 | 0.0° | 0.0° |
| N1 | C6 | C5 | N6 | 179.1° | 180.0° |
| N1 | C6 | C5 | N7 | 179.7° | 179.9° |
| C6 | N1 | C2 | H1 | 179.6° | 180.0° |
| N1 | C6 | N6 | H2 | 0.0° | 0.1° |
| N1 | C6 | N6 | H3 | 120.0° | 180.0° |
| C4 | C5 | C6 | N7 | 179.6° | 179.9° |
| C4 | C5 | C6 | N6 | 179.2° | 180.0° |
| C5 | C4 | N9 | C1' | 178.1° | 180.0° |
| C5 | C4 | N9 | C8 | 0.9° | 0.0° |
| C4 | C5 | N7 | C8 | 0.4° | 0.1° |
| N9 | C4 | C5 | C6 | 179.4° | 180.0° |
| C4 | N9 | C1' | C2' | 91.2° | 88.2° |
| C4 | N9 | C1' | C8 | 176.6° | 180.0° |
| C4 | N9 | C1' | O4' | 152.6° | 156.5° |
| N9 | C4 | C5 | N7 | 0.3° | 0.0° |
| C4 | N9 | C8 | N7 | 1.2° | 0.0° |
| C4 | N9 | C8 | H4 | 178.8° | 180.0° |
| C4 | N9 | C1' | H5 | 33.0° | 34.2° |
| C6 | C5 | N7 | C8 | 179.9° | 180.0° |
| C5 | C6 | N6 | H2 | 179.1° | 180.0° |
| C5 | C6 | N6 | H3 | 60.9° | 0.0° |
| N6 | C6 | C5 | N7 | 1.2° | 0.0° |
| C6 | N6 | H2 | H3 | 120.0° | 180.0° |
| C1' | C2' | C3' | H8 | 119.4° | 118.6° |
| C1' | C2' | C3' | H9 | 119.3° | 118.6° |
| C2' | C1' | N9 | O4' | 116.2° | 115.4° |
| C2' | C1' | N9 | H5 | 124.1° | 122.4° |
| C2' | C1' | O4' | H5 | 121.7° | 118.9° |
| C2' | C1' | N9 | C8 | 85.5° | 91.8° |
| C1' | C2' | C3' | O3' | 155.7° | 118.6° |
| C1' | C2' | C3' | C4' | 35.0° | 0.0° |
| C2' | C1' | O4' | C4' | 1.3° | 40.5° |
| C1' | C2' | H8 | H9 | 121.9° | 122.7° |
| C1' | C2' | C3' | H12 | 79.2° | 118.7° |
| C3' | C2' | C1' | N9 | 94.9° | 142.8° |
| C3' | C2' | C1' | O4' | 23.1° | 24.0° |
| C2' | C3' | O3' | C4' | 113.8° | 114.7° |
| C2' | C3' | O3' | H12 | 124.9° | 122.7° |
| C2' | C3' | C4' | H12 | 115.4° | 118.6° |
| C2' | C3' | C4' | O4' | 36.9° | 23.9° |
| C2' | C3' | C4' | C5' | 156.9° | 142.8° |
| C3' | C2' | C1' | H5 | 142.2° | 94.9° |
| C3' | C2' | H8 | H9 | 121.9° | 122.7° |
| C2' | C3' | O3' | H13 | 143.4° | 61.4° |
| C2' | C3' | C4' | H14 | 85.3° | 95.0° |
| N9 | C1' | O4' | H5 | 120.9° | 122.3° |
| N9 | C1' | O4' | C4' | 118.6° | 159.3° |
| C1' | N9 | C8 | N7 | 178.3° | 180.0° |
| C1' | N9 | C8 | H4 | 1.7° | 0.1° |
| N9 | C1' | C2' | H8 | 145.8° | 98.6° |
| N9 | C1' | C2' | H9 | 24.5° | 24.2° |
| O4' | C1' | N9 | C8 | 30.8° | 23.5° |
| C1' | O4' | C4' | C3' | 23.1° | 40.5° |
| C1' | O4' | C4' | C5' | 143.3° | 159.4° |
| O4' | C1' | C2' | H8 | 96.2° | 142.6° |
| O4' | C1' | C2' | H9 | 142.5° | 94.7° |
| C1' | O4' | C4' | H14 | 95.4° | 78.4° |
| C5 | N7 | C8 | N9 | 1.0° | 0.1° |
| C5 | N7 | C8 | H4 | 179.0° | 180.0° |
| N9 | C8 | N7 | H4 | 180.0° | 179.9° |
| C8 | N9 | C1' | H5 | 150.4° | 145.8° |
| O3' | C3' | C4' | H12 | 122.4° | 122.7° |
| O3' | C3' | C4' | O4' | 159.0° | 142.6° |
| O3' | C3' | C4' | C5' | 80.9° | 98.5° |
| O3' | C3' | C2' | H8 | 36.3° | 0.0° |
| O3' | C3' | C2' | H9 | 85.0° | 122.7° |
| O3' | C3' | C4' | H14 | 36.8° | 23.7° |
| C3' | C4' | O4' | C5' | 120.2° | 118.9° |
| C3' | C4' | O4' | H14 | 118.5° | 118.9° |
| C3' | C4' | C5' | H14 | 118.1° | 122.3° |
| C3' | C4' | C5' | O5' | 57.9° | 175.0° |
| C4' | C3' | C2' | H8 | 84.3° | 118.7° |
| C4' | C3' | C2' | H9 | 154.4° | 118.6° |
| C4' | C3' | O3' | H13 | 102.8° | 176.1° |
| C3' | C4' | C5' | H15 | 177.7° | 54.9° |
| C3' | C4' | C5' | H16 | 62.0° | 65.0° |
| O4' | C4' | C5' | H14 | 124.9° | 122.3° |
| O4' | C4' | C5' | O5' | 59.1° | 69.6° |
| C4' | O4' | C1' | H5 | 120.4° | 78.4° |
| O4' | C4' | C3' | H12 | 78.6° | 94.7° |
| O4' | C4' | C5' | H15 | 60.7° | 170.4° |
| O4' | C4' | C5' | H16 | 179.0° | 50.4° |
| C4' | C5' | O5' | H15 | 119.9° | 120.1° |
| C4' | C5' | O5' | H16 | 119.9° | 120.0° |
| C4' | C5' | O5' | PA | 134.7° | 180.0° |
| C5' | C4' | C3' | H12 | 41.5° | 24.2° |
| C4' | C5' | H15 | H16 | 120.4° | 119.9° |
| O2B | PB | O3A | O1B | 121.5° | 119.9° |
| O2B | PB | O3A | C3B | 117.1° | 120.0° |
| O2B | PB | O1B | C3B | 125.1° | 120.0° |
| O2B | PB | O3A | PA | 142.8° | 60.0° |
| O2B | PB | C3B | BR1 | 14.4° | 60.0° |
| O2B | PB | C3B | BR2 | 97.7° | 180.0° |
| O2B | PB | C3B | PG | 142.8° | 60.0° |
| O2B | PB | O1B | H10 | 0.0° | 180.0° |
| C5' | O5' | PA | O3A | 73.0° | 175.0° |
| C5' | O5' | PA | O2A | 173.5° | 55.0° |
| C5' | O5' | PA | O1A | 50.7° | 65.0° |
| O5' | C5' | C4' | H14 | 176.0° | 52.7° |
| O5' | C5' | H15 | H16 | 120.4° | 120.0° |
| O5' | PA | O3A | PB | 112.1° | 165.0° |
| O5' | PA | O3A | O2A | 115.1° | 120.0° |
| O5' | PA | O3A | O1A | 119.8° | 120.0° |
| O5' | PA | O2A | O1A | 120.8° | 120.0° |
| O5' | PA | O1A | H6 | 120.6° | 60.0° |
| PA | O5' | C5' | H15 | 105.5° | 59.9° |
| PA | O5' | C5' | H16 | 14.8° | 60.0° |
| O3A | PB | O1B | C3B | 115.9° | 120.0° |
| O3A | PB | C3B | BR1 | 128.8° | 60.0° |
| PB | O3A | PA | O2A | 132.9° | 45.0° |
| PB | O3A | PA | O1A | 7.7° | 75.0° |
| O3A | PB | C3B | BR2 | 16.7° | 60.0° |
| O3A | PB | C3B | PG | 102.8° | 180.0° |
| O3A | PB | O1B | H10 | 119.0° | 60.1° |
| O1B | PB | O3A | PA | 21.3° | 60.0° |
| O1B | PB | C3B | BR1 | 110.9° | 180.0° |
| O1B | PB | C3B | BR2 | 137.0° | 60.0° |
| O1B | PB | C3B | PG | 17.5° | 60.0° |
| C3B | PB | O3A | PA | 100.1° | 180.0° |
| PB | C3B | BR1 | BR2 | 116.6° | 120.0° |
| PB | C3B | BR1 | PG | 128.6° | 120.0° |
| PB | C3B | BR2 | PG | 121.7° | 120.0° |
| PB | C3B | PG | O3G | 74.6° | 60.0° |
| PB | C3B | PG | O1G | 48.0° | 60.0° |
| PB | C3B | PG | O2G | 165.1° | 180.0° |
| C3B | PB | O1B | H10 | 125.1° | 60.0° |
| O3A | PA | O2A | O1A | 126.7° | 120.0° |
| O3A | PA | O1A | H6 | 121.9° | 60.0° |
| BR1 | C3B | BR2 | PG | 117.2° | 120.0° |
| BR1 | C3B | PG | O3G | 55.6° | 180.0° |
| BR1 | C3B | PG | O1G | 178.1° | 60.0° |
| BR1 | C3B | PG | O2G | 64.7° | 60.0° |
| O2A | PA | O1A | H6 | 0.0° | 180.0° |
| BR2 | C3B | PG | O3G | 165.7° | 60.0° |
| BR2 | C3B | PG | O1G | 71.7° | 180.0° |
| BR2 | C3B | PG | O2G | 45.5° | 60.0° |
| C3B | PG | O3G | O1G | 115.1° | 120.0° |
| C3B | PG | O3G | O2G | 115.8° | 120.0° |
| C3B | PG | O1G | O2G | 113.1° | 120.0° |
| C3B | PG | O1G | H7 | 117.2° | 60.0° |
| C3B | PG | O2G | H11 | 116.9° | 180.0° |
| O3G | PG | O1G | O2G | 129.7° | 120.0° |
| O3G | PG | O1G | H7 | 0.0° | 180.0° |
| O3G | PG | O2G | H11 | 0.0° | 60.0° |
| O1G | PG | O2G | H11 | 131.1° | 60.0° |
| O2G | PG | O1G | H7 | 129.7° | 59.9° |
| H5 | C1' | C2' | H8 | 22.9° | 23.7° |
| H5 | C1' | C2' | H9 | 98.4° | 146.5° |
| H8 | C2' | C3' | H12 | 161.4° | 122.7° |
| H9 | C2' | C3' | H12 | 40.1° | 0.0° |
| H12 | C3' | O3' | H13 | 18.5° | 61.3° |
| H12 | C3' | C4' | H14 | 159.3° | 146.4° |
| H14 | C4' | C5' | H15 | 64.2° | 67.3° |
| H14 | C4' | C5' | H16 | 56.1° | 172.7° |
