80J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1G | PG | doub | 1.48Å | 1.52Å | |
| O3G | PG | sing | 1.61Å | 1.51Å | |
| N4 | C4 | sing | 1.38Å | 1.45Å | |
| PG | O3B | sing | 1.61Å | 1.63Å | |
| PG | O2G | sing | 1.61Å | 1.51Å | |
| O3B | PB | sing | 1.61Å | 1.63Å | |
| C4 | C5 | sing | 1.41Å | 1.39Å | |
| C4 | N3 | doub | 1.33Å | 1.33Å | |
| C5 | C6 | doub | 1.35Å | 1.40Å | |
| O1B | PB | doub | 1.48Å | 1.52Å | |
| N3 | C2 | sing | 1.33Å | 1.33Å | |
| PB | O2B | sing | 1.61Å | 1.50Å | |
| PB | O3A | sing | 1.61Å | 1.64Å | |
| O1A | PA | doub | 1.48Å | 1.51Å | |
| C6 | N1 | sing | 1.36Å | 1.34Å | |
| C2 | N1 | sing | 1.35Å | 1.33Å | |
| C2 | O2 | doub | 1.22Å | 1.19Å | |
| O3A | PA | sing | 1.61Å | 1.65Å | |
| N1 | C1' | sing | 1.46Å | 1.50Å | |
| PA | O5' | sing | 1.61Å | 1.65Å | |
| PA | O2A | sing | 1.61Å | 1.50Å | |
| O5' | C5' | sing | 1.43Å | 1.39Å | |
| O4' | C1' | sing | 1.44Å | 1.29Å | |
| O4' | C4' | sing | 1.44Å | 1.60Å | |
| C1' | C2' | sing | 1.54Å | 1.57Å | |
| C5' | C4' | sing | 1.53Å | 1.51Å | |
| C4' | C3' | sing | 1.55Å | 1.36Å | |
| C2' | C3' | sing | 1.55Å | 1.52Å | |
| C2' | F2 | sing | 1.40Å | 1.34Å | |
| C3' | O3' | sing | 1.43Å | 1.50Å | |
| C1' | H1 | sing | 1.09Å | 1.10Å | |
| C2' | H2 | sing | 1.09Å | 1.10Å | |
| C3' | H3 | sing | 1.09Å | 1.10Å | |
| C4' | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C5' | H6 | sing | 1.09Å | 1.10Å | |
| C5' | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.08Å | 1.08Å | |
| N4 | H9 | sing | 0.97Å | 1.00Å | |
| N4 | H10 | sing | 0.97Å | 1.00Å | |
| O2A | H11 | sing | 0.97Å | 0.95Å | |
| O2B | H12 | sing | 0.97Å | 0.95Å | |
| O2G | H13 | sing | 0.97Å | 0.95Å | |
| O3' | H14 | sing | 0.97Å | 0.95Å | |
| O3G | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1G | PG | O3G | 110.7° | 109.4° |
| O1G | PG | O3B | 104.8° | 109.5° |
| O1G | PG | O2G | 109.8° | 109.5° |
| O3G | PG | O3B | 108.7° | 109.5° |
| O3G | PG | O2G | 111.8° | 109.5° |
| PG | O3G | H15 | 109.5° | 114.0° |
| N4 | C4 | C5 | 120.9° | 120.2° |
| N4 | C4 | N3 | 119.7° | 120.2° |
| C4 | N4 | H9 | 120.0° | 120.0° |
| C4 | N4 | H10 | 120.0° | 120.0° |
| O3B | PG | O2G | 111.0° | 109.5° |
| PG | O3B | PB | 125.8° | 134.0° |
| PG | O2G | H13 | 109.5° | 114.0° |
| O3B | PB | O1B | 106.5° | 109.4° |
| O3B | PB | O2B | 110.4° | 109.4° |
| O3B | PB | O3A | 108.6° | 109.5° |
| C5 | C4 | N3 | 119.4° | 119.6° |
| C4 | C5 | C6 | 118.5° | 118.9° |
| C4 | C5 | H5 | 120.7° | 120.5° |
| C4 | N3 | C2 | 120.5° | 120.7° |
| C5 | C6 | N1 | 119.1° | 119.3° |
| C6 | C5 | H5 | 120.8° | 120.6° |
| C5 | C6 | H8 | 120.4° | 120.3° |
| O1B | PB | O2B | 112.3° | 109.5° |
| O1B | PB | O3A | 112.0° | 109.5° |
| N3 | C2 | N1 | 122.3° | 121.0° |
| N3 | C2 | O2 | 118.1° | 119.4° |
| O2B | PB | O3A | 106.9° | 109.5° |
| PB | O2B | H12 | 109.5° | 114.0° |
| PB | O3A | PA | 124.8° | 134.0° |
| O1A | PA | O3A | 110.2° | 109.5° |
| O1A | PA | O5' | 110.3° | 109.5° |
| O1A | PA | O2A | 111.3° | 109.5° |
| C6 | N1 | C2 | 120.2° | 120.4° |
| C6 | N1 | C1' | 120.1° | 119.8° |
| N1 | C6 | H8 | 120.5° | 120.4° |
| N1 | C2 | O2 | 119.7° | 119.5° |
| C2 | N1 | C1' | 119.6° | 119.8° |
| O3A | PA | O5' | 109.8° | 109.5° |
| O3A | PA | O2A | 103.8° | 109.5° |
| N1 | C1' | O4' | 106.9° | 110.0° |
| N1 | C1' | C2' | 116.5° | 109.9° |
| N1 | C1' | H1 | 109.0° | 109.9° |
| O5' | PA | O2A | 111.3° | 109.5° |
| PA | O5' | C5' | 120.7° | 123.0° |
| PA | O2A | H11 | 109.5° | 114.0° |
| O5' | C5' | C4' | 107.7° | 109.4° |
| O5' | C5' | H6 | 109.9° | 109.5° |
| O5' | C5' | H7 | 109.9° | 109.4° |
| C1' | O4' | C4' | 103.8° | 107.0° |
| O4' | C1' | C2' | 104.0° | 107.3° |
| O4' | C1' | H1 | 112.3° | 109.9° |
| O4' | C4' | C5' | 107.8° | 110.8° |
| O4' | C4' | C3' | 105.6° | 103.5° |
| O4' | C4' | H4 | 107.8° | 110.6° |
| C1' | C2' | C3' | 101.7° | 104.2° |
| C1' | C2' | F2 | 108.9° | 110.5° |
| C2' | C1' | H1 | 108.1° | 109.9° |
| C1' | C2' | H2 | 109.6° | 110.5° |
| C5' | C4' | C3' | 115.2° | 110.6° |
| C5' | C4' | H4 | 108.9° | 110.5° |
| C4' | C5' | H6 | 109.9° | 109.5° |
| C4' | C5' | H7 | 109.9° | 109.5° |
| C4' | C3' | C2' | 107.4° | 102.1° |
| C4' | C3' | O3' | 108.6° | 110.9° |
| C4' | C3' | H3 | 111.9° | 110.9° |
| C3' | C4' | H4 | 111.1° | 110.6° |
| C3' | C2' | F2 | 112.7° | 110.5° |
| C2' | C3' | O3' | 109.7° | 110.9° |
| C3' | C2' | H2 | 110.2° | 110.5° |
| C2' | C3' | H3 | 109.4° | 110.9° |
| F2 | C2' | H2 | 113.1° | 110.5° |
| O3' | C3' | H3 | 109.7° | 110.8° |
| C3' | O3' | H14 | 109.5° | 114.0° |
| H6 | C5' | H7 | 109.5° | 109.5° |
| H9 | N4 | H10 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1G | PG | O3G | O3B | 114.5° | 120.0° |
| O1G | PG | O3G | O2G | 122.7° | 120.0° |
| O1G | PG | O3B | O2G | 118.4° | 120.0° |
| O1G | PG | O3B | PB | 162.9° | 40.0° |
| O1G | PG | O2G | H13 | 0.0° | 180.0° |
| O1G | PG | O3G | H15 | 0.0° | 60.0° |
| O3G | PG | O3B | O2G | 123.3° | 120.0° |
| O3G | PG | O3B | PB | 78.7° | 160.0° |
| O3G | PG | O2G | H13 | 123.2° | 60.0° |
| N4 | C4 | C5 | N3 | 179.8° | 179.8° |
| N4 | C4 | C5 | C6 | 179.7° | 180.0° |
| N4 | C4 | N3 | C2 | 179.8° | 179.8° |
| N4 | C4 | C5 | H5 | 0.3° | 0.2° |
| C4 | N4 | H9 | H10 | 180.0° | 180.0° |
| PG | O3B | PB | O1B | 165.5° | 40.0° |
| PG | O3B | PB | O2B | 43.3° | 79.9° |
| PG | O3B | PB | O3A | 73.6° | 160.0° |
| O3B | PG | O2G | H13 | 115.3° | 60.0° |
| O3B | PG | O3G | H15 | 114.5° | 180.0° |
| O2G | PG | O3B | PB | 44.6° | 80.0° |
| O2G | PG | O3G | H15 | 122.7° | 60.0° |
| O3B | PB | O1B | O2B | 121.0° | 119.9° |
| O3B | PB | O1B | O3A | 118.6° | 120.0° |
| O3B | PB | O2B | O3A | 118.0° | 120.0° |
| O3B | PB | O3A | PA | 77.0° | 165.0° |
| O3B | PB | O2B | H12 | 118.8° | 60.1° |
| C4 | C5 | C6 | H5 | 180.0° | 179.7° |
| C5 | C4 | N3 | C2 | 0.0° | 0.0° |
| C4 | C5 | C6 | N1 | 0.9° | 0.5° |
| C4 | C5 | C6 | H8 | 179.1° | 180.0° |
| C5 | C4 | N4 | H9 | 179.7° | 0.0° |
| C5 | C4 | N4 | H10 | 0.2° | 180.0° |
| N3 | C4 | C5 | C6 | 0.1° | 0.3° |
| C4 | N3 | C2 | N1 | 0.8° | 0.0° |
| C4 | N3 | C2 | O2 | 179.8° | 179.7° |
| N3 | C4 | C5 | H5 | 179.9° | 180.0° |
| N3 | C4 | N4 | H9 | 0.0° | 179.8° |
| N3 | C4 | N4 | H10 | 180.0° | 0.2° |
| C5 | C6 | N1 | H8 | 180.0° | 179.5° |
| C5 | C6 | N1 | C2 | 1.6° | 0.6° |
| C5 | C6 | N1 | C1' | 177.8° | 179.5° |
| O1B | PB | O2B | O3A | 123.3° | 120.0° |
| O1B | PB | O3A | PA | 40.4° | 45.0° |
| O1B | PB | O2B | H12 | 0.0° | 179.9° |
| N3 | C2 | N1 | C6 | 1.6° | 0.3° |
| N3 | C2 | N1 | O2 | 179.0° | 179.7° |
| N3 | C2 | N1 | C1' | 177.8° | 179.8° |
| O2B | PB | O3A | PA | 163.9° | 75.0° |
| PB | O3A | PA | O1A | 64.1° | 45.0° |
| PB | O3A | PA | O5' | 57.7° | 165.0° |
| PB | O3A | PA | O2A | 176.7° | 75.0° |
| O3A | PB | O2B | H12 | 123.2° | 59.9° |
| O1A | PA | O3A | O5' | 121.7° | 120.0° |
| O1A | PA | O3A | O2A | 119.2° | 120.0° |
| O1A | PA | O5' | O2A | 124.0° | 120.0° |
| O1A | PA | O5' | C5' | 178.2° | 55.0° |
| O1A | PA | O2A | H11 | 0.0° | 180.0° |
| C6 | N1 | C2 | C1' | 176.2° | 179.9° |
| C6 | N1 | C2 | O2 | 179.4° | 180.0° |
| C6 | N1 | C1' | O4' | 49.3° | 127.2° |
| C6 | N1 | C1' | C2' | 66.5° | 115.0° |
| C6 | N1 | C1' | H1 | 170.9° | 6.0° |
| N1 | C6 | C5 | H5 | 179.1° | 179.7° |
| C2 | N1 | C1' | O4' | 126.9° | 52.9° |
| C2 | N1 | C1' | C2' | 117.3° | 65.0° |
| C2 | N1 | C1' | H1 | 5.3° | 174.0° |
| C2 | N1 | C6 | H8 | 178.4° | 180.0° |
| O2 | C2 | N1 | C1' | 3.2° | 0.1° |
| O3A | PA | O5' | O2A | 114.4° | 120.0° |
| O3A | PA | O5' | C5' | 60.1° | 175.0° |
| O3A | PA | O2A | H11 | 118.5° | 60.0° |
| N1 | C1' | O4' | C2' | 123.9° | 119.5° |
| N1 | C1' | O4' | H1 | 119.5° | 121.1° |
| N1 | C1' | O4' | C4' | 165.3° | 146.0° |
| N1 | C1' | C2' | H1 | 123.1° | 121.0° |
| N1 | C1' | C2' | C3' | 153.3° | 121.6° |
| N1 | C1' | C2' | F2 | 87.5° | 119.7° |
| N1 | C1' | C2' | H2 | 36.6° | 2.9° |
| C1' | N1 | C6 | H8 | 2.2° | 0.1° |
| PA | O5' | C5' | C4' | 152.5° | 180.0° |
| PA | O5' | C5' | H6 | 87.8° | 60.0° |
| PA | O5' | C5' | H7 | 32.8° | 60.0° |
| O5' | PA | O2A | H11 | 123.5° | 60.0° |
| O2A | PA | O5' | C5' | 54.2° | 65.0° |
| O5' | C5' | C4' | O4' | 56.1° | 70.8° |
| O5' | C5' | C4' | H6 | 119.7° | 120.0° |
| O5' | C5' | C4' | H7 | 119.7° | 119.9° |
| O5' | C5' | C4' | C3' | 173.8° | 175.0° |
| O5' | C5' | C4' | H4 | 60.6° | 52.2° |
| O5' | C5' | H6 | H7 | 120.8° | 120.0° |
| O4' | C1' | C2' | H1 | 119.5° | 119.5° |
| C1' | O4' | C4' | C5' | 158.5° | 158.6° |
| C1' | O4' | C4' | C3' | 34.7° | 40.1° |
| O4' | C1' | C2' | C3' | 35.9° | 2.1° |
| O4' | C1' | C2' | F2 | 155.1° | 120.7° |
| O4' | C1' | C2' | H2 | 80.7° | 116.7° |
| C1' | O4' | C4' | H4 | 84.2° | 78.4° |
| C4' | O4' | C1' | C2' | 41.5° | 26.5° |
| O4' | C4' | C5' | C3' | 117.7° | 114.1° |
| O4' | C4' | C5' | H4 | 116.7° | 123.0° |
| O4' | C4' | C3' | H4 | 116.7° | 118.5° |
| O4' | C4' | C3' | C2' | 10.0° | 37.0° |
| O4' | C4' | C3' | O3' | 128.6° | 155.2° |
| C4' | O4' | C1' | H1 | 75.2° | 92.9° |
| O4' | C4' | C3' | H3 | 110.2° | 81.2° |
| O4' | C4' | C5' | H6 | 63.6° | 169.2° |
| O4' | C4' | C5' | H7 | 175.9° | 49.1° |
| C1' | C2' | C3' | C4' | 12.7° | 20.9° |
| C1' | C2' | C3' | F2 | 116.4° | 118.7° |
| C1' | C2' | C3' | H2 | 116.2° | 118.7° |
| C1' | C2' | F2 | H2 | 122.1° | 122.6° |
| C1' | C2' | C3' | O3' | 105.2° | 139.0° |
| C1' | C2' | C3' | H3 | 134.4° | 97.4° |
| C5' | C4' | C3' | H4 | 124.4° | 122.8° |
| C5' | C4' | C3' | C2' | 128.9° | 155.7° |
| C5' | C4' | C3' | O3' | 112.5° | 86.1° |
| C5' | C4' | C3' | H3 | 8.7° | 37.5° |
| C4' | C5' | H6 | H7 | 120.8° | 120.0° |
| C4' | C3' | C2' | O3' | 117.9° | 118.2° |
| C4' | C3' | C2' | H3 | 121.7° | 118.2° |
| C4' | C3' | C2' | F2 | 129.1° | 97.8° |
| C4' | C3' | O3' | H3 | 122.6° | 123.6° |
| C4' | C3' | C2' | H2 | 103.5° | 139.6° |
| C3' | C4' | C5' | H6 | 54.1° | 55.0° |
| C3' | C4' | C5' | H7 | 66.4° | 65.0° |
| C4' | C3' | O3' | H14 | 180.0° | 174.2° |
| C3' | C2' | F2 | H2 | 125.9° | 122.6° |
| C2' | C3' | O3' | H3 | 120.3° | 123.7° |
| C3' | C2' | C1' | H1 | 83.6° | 117.4° |
| C2' | C3' | C4' | H4 | 106.7° | 81.5° |
| C2' | C3' | O3' | H14 | 62.9° | 61.5° |
| F2 | C2' | C3' | O3' | 11.2° | 20.4° |
| F2 | C2' | C1' | H1 | 35.6° | 1.3° |
| F2 | C2' | C3' | H3 | 109.2° | 144.0° |
| O3' | C3' | C2' | H2 | 138.6° | 102.3° |
| O3' | C3' | C4' | H4 | 11.9° | 36.7° |
| H1 | C1' | C2' | H2 | 159.7° | 123.9° |
| H2 | C2' | C3' | H3 | 18.2° | 21.4° |
| H3 | C3' | C4' | H4 | 133.2° | 160.3° |
| H3 | C3' | O3' | H14 | 57.4° | 62.1° |
| H4 | C4' | C5' | H6 | 179.7° | 67.8° |
| H4 | C4' | C5' | H7 | 59.1° | 172.1° |
| H5 | C5 | C6 | H8 | 0.9° | 0.3° |
