85T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| PA | O1A | doub | 1.48Å | 1.49Å | |
| PA | O2A | sing | 1.61Å | 1.53Å | |
| PA | O5' | sing | 1.61Å | 1.72Å | |
| PA | O3A | sing | 1.61Å | 1.67Å | |
| O3B | PB | sing | 1.61Å | 1.64Å | |
| O3B | PG | sing | 1.61Å | 1.69Å | |
| O2B | PB | doub | 1.48Å | 1.50Å | |
| N01 | C02 | trip | 1.14Å | 1.16Å | |
| C02 | C2' | sing | 1.47Å | 1.44Å | |
| C2' | C3' | sing | 1.55Å | 1.57Å | |
| C2' | C1' | sing | 1.55Å | 1.57Å | |
| C3' | O3' | sing | 1.43Å | 1.48Å | |
| C3' | C4' | sing | 1.54Å | 1.26Å | |
| C4' | C5' | sing | 1.53Å | 1.47Å | |
| C5' | O5' | sing | 1.43Å | 1.47Å | |
| O3A | PB | sing | 1.61Å | 1.57Å | |
| PB | O1B | sing | 1.61Å | 1.47Å | |
| PG | O1G | doub | 1.48Å | 1.49Å | |
| PG | O2G | sing | 1.61Å | 1.54Å | |
| PG | O3G | sing | 1.61Å | 1.57Å | |
| O4' | C1' | sing | 1.44Å | 1.27Å | |
| C1' | N1 | sing | 1.47Å | 1.51Å | |
| N1 | C6 | sing | 1.36Å | 1.37Å | |
| N1 | C2 | sing | 1.35Å | 1.31Å | |
| C6 | C5 | doub | 1.35Å | 1.37Å | |
| C5 | C4 | sing | 1.41Å | 1.38Å | |
| C4 | N4 | sing | 1.38Å | 1.43Å | |
| C4 | N3 | doub | 1.33Å | 1.36Å | |
| N3 | C2 | sing | 1.33Å | 1.33Å | |
| C2 | O2 | doub | 1.22Å | 1.24Å | |
| O2A | H1 | sing | 0.97Å | 0.95Å | |
| C2' | H2 | sing | 1.09Å | 1.10Å | |
| C3' | H3 | sing | 1.09Å | 1.10Å | |
| O3' | H4 | sing | 0.97Å | 0.95Å | |
| C4' | H5 | sing | 1.09Å | 1.10Å | |
| C5' | H7 | sing | 1.09Å | 1.10Å | |
| C5' | H8 | sing | 1.09Å | 1.10Å | |
| O1B | H9 | sing | 0.97Å | 0.95Å | |
| O2G | H10 | sing | 0.97Å | 0.95Å | |
| O3G | H11 | sing | 0.97Å | 0.95Å | |
| C1' | H13 | sing | 1.09Å | 1.10Å | |
| C6 | H14 | sing | 1.08Å | 1.08Å | |
| C5 | H15 | sing | 1.08Å | 1.08Å | |
| N4 | H16 | sing | 0.97Å | 1.00Å | |
| N4 | H17 | sing | 0.97Å | 1.00Å | |
| C4' | O4' | sing | 1.44Å | 1.66Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1A | PA | O2A | 120.3° | 109.5° |
| O1A | PA | O5' | 104.9° | 109.5° |
| O1A | PA | O3A | 99.6° | 109.5° |
| O2A | PA | O5' | 108.5° | 109.4° |
| O2A | PA | O3A | 112.8° | 109.5° |
| PA | O2A | H1 | 109.5° | 114.0° |
| O5' | PA | O3A | 110.2° | 109.4° |
| PA | O5' | C5' | 109.8° | 123.0° |
| PA | O3A | PB | 123.0° | 134.0° |
| PB | O3B | PG | 124.5° | 134.0° |
| O3B | PB | O2B | 108.3° | 109.5° |
| O3B | PB | O3A | 110.2° | 109.5° |
| O3B | PB | O1B | 106.1° | 109.4° |
| O3B | PG | O1G | 106.4° | 109.5° |
| O3B | PG | O2G | 110.0° | 109.5° |
| O3B | PG | O3G | 107.4° | 109.5° |
| O2B | PB | O3A | 108.5° | 109.5° |
| O2B | PB | O1B | 116.0° | 109.4° |
| N01 | C02 | C2' | 175.4° | 180.0° |
| C02 | C2' | C3' | 106.7° | 110.9° |
| C02 | C2' | C1' | 110.9° | 110.9° |
| C02 | C2' | H2 | 113.8° | 110.8° |
| C3' | C2' | C1' | 101.3° | 102.1° |
| C2' | C3' | O3' | 106.4° | 110.4° |
| C2' | C3' | C4' | 106.9° | 104.2° |
| C3' | C2' | H2 | 111.6° | 110.9° |
| C2' | C3' | H3 | 110.5° | 110.5° |
| C2' | C1' | O4' | 101.1° | 103.5° |
| C2' | C1' | N1 | 114.8° | 110.6° |
| C1' | C2' | H2 | 111.7° | 110.9° |
| C2' | C1' | H13 | 110.3° | 110.6° |
| O3' | C3' | C4' | 104.6° | 110.5° |
| O3' | C3' | H3 | 111.8° | 110.5° |
| C3' | O3' | H4 | 109.5° | 114.0° |
| C3' | C4' | C5' | 112.2° | 109.9° |
| C4' | C3' | H3 | 116.0° | 110.6° |
| C3' | C4' | H5 | 115.2° | 109.9° |
| C3' | C4' | O4' | 106.6° | 107.3° |
| C4' | C5' | O5' | 111.1° | 109.5° |
| C5' | C4' | H5 | 111.4° | 109.9° |
| C4' | C5' | H7 | 109.0° | 109.5° |
| C4' | C5' | H8 | 109.1° | 109.5° |
| C5' | C4' | O4' | 101.5° | 109.8° |
| O5' | C5' | H7 | 109.1° | 109.4° |
| O5' | C5' | H8 | 109.1° | 109.5° |
| O3A | PB | O1B | 107.8° | 109.5° |
| PB | O1B | H9 | 109.5° | 114.0° |
| O1G | PG | O2G | 105.3° | 109.4° |
| O1G | PG | O3G | 114.1° | 109.5° |
| O2G | PG | O3G | 113.4° | 109.5° |
| PG | O2G | H10 | 109.5° | 114.0° |
| PG | O3G | H11 | 109.5° | 114.0° |
| O4' | C1' | N1 | 103.6° | 110.6° |
| O4' | C1' | H13 | 115.5° | 110.6° |
| C1' | O4' | C4' | 103.2° | 107.0° |
| C1' | N1 | C6 | 121.6° | 119.8° |
| C1' | N1 | C2 | 114.5° | 119.8° |
| N1 | C1' | H13 | 111.3° | 110.7° |
| C6 | N1 | C2 | 123.9° | 120.4° |
| N1 | C6 | C5 | 119.9° | 119.3° |
| N1 | C6 | H14 | 120.0° | 120.4° |
| N1 | C2 | N3 | 117.7° | 121.0° |
| N1 | C2 | O2 | 120.3° | 119.5° |
| C6 | C5 | C4 | 115.2° | 119.0° |
| C5 | C6 | H14 | 120.1° | 120.4° |
| C6 | C5 | H15 | 122.4° | 120.6° |
| C5 | C4 | N4 | 121.5° | 120.2° |
| C5 | C4 | N3 | 122.3° | 119.7° |
| C4 | C5 | H15 | 122.4° | 120.5° |
| N4 | C4 | N3 | 116.2° | 120.1° |
| C4 | N4 | H16 | 120.0° | 119.9° |
| C4 | N4 | H17 | 120.0° | 120.0° |
| C4 | N3 | C2 | 121.0° | 120.7° |
| N3 | C2 | O2 | 122.0° | 119.4° |
| H5 | C4' | O4' | 108.9° | 110.0° |
| H7 | C5' | H8 | 109.5° | 109.4° |
| H16 | N4 | H17 | 120.0° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1A | PA | O2A | O5' | 120.7° | 120.0° |
| O1A | PA | O2A | O3A | 117.0° | 120.0° |
| O1A | PA | O5' | O3A | 106.4° | 120.0° |
| O1A | PA | O5' | C5' | 25.8° | 55.0° |
| O1A | PA | O3A | PB | 161.6° | 40.0° |
| O1A | PA | O2A | H1 | 0.0° | 180.0° |
| O2A | PA | O5' | O3A | 123.9° | 120.0° |
| O2A | PA | O5' | C5' | 155.6° | 65.0° |
| O2A | PA | O3A | PB | 32.9° | 80.0° |
| PA | O5' | C5' | C4' | 139.8° | 180.0° |
| O5' | PA | O3A | PB | 88.5° | 160.0° |
| O5' | PA | O2A | H1 | 120.7° | 60.0° |
| PA | O5' | C5' | H7 | 19.6° | 60.0° |
| PA | O5' | C5' | H8 | 99.9° | 59.9° |
| PA | O3A | PB | O3B | 73.8° | 160.0° |
| PA | O3A | PB | O2B | 44.5° | 40.0° |
| O3A | PA | O5' | C5' | 80.6° | 175.0° |
| PA | O3A | PB | O1B | 170.8° | 80.0° |
| O3A | PA | O2A | H1 | 117.0° | 60.0° |
| O3B | PB | O2B | O3A | 119.5° | 120.0° |
| O3B | PB | O2B | O1B | 119.1° | 119.9° |
| O3B | PB | O3A | O1B | 115.4° | 120.0° |
| PB | O3B | PG | O1G | 101.1° | 45.0° |
| PB | O3B | PG | O2G | 145.4° | 165.0° |
| PB | O3B | PG | O3G | 21.5° | 75.0° |
| O3B | PB | O1B | H9 | 120.2° | 60.1° |
| PG | O3B | PB | O2B | 119.7° | 45.0° |
| PG | O3B | PB | O3A | 121.9° | 165.0° |
| PG | O3B | PB | O1B | 5.5° | 75.0° |
| O3B | PG | O1G | O2G | 116.7° | 120.0° |
| O3B | PG | O1G | O3G | 118.3° | 120.0° |
| O3B | PG | O2G | O3G | 120.3° | 120.0° |
| O3B | PG | O2G | H10 | 114.2° | 180.0° |
| O3B | PG | O3G | H11 | 117.6° | 60.0° |
| O2B | PB | O3A | O1B | 126.3° | 120.0° |
| O2B | PB | O1B | H9 | 0.0° | 180.0° |
| N01 | C02 | C2' | C3' | 102.7° | 158.2° |
| N01 | C02 | C2' | C1' | 6.8° | 89.1° |
| N01 | C02 | C2' | H2 | 133.8° | 34.5° |
| C02 | C2' | C3' | C1' | 116.1° | 118.2° |
| C02 | C2' | C3' | H2 | 124.9° | 123.6° |
| C02 | C2' | C1' | H2 | 128.1° | 123.6° |
| C02 | C2' | C3' | O3' | 149.7° | 144.0° |
| C02 | C2' | C3' | C4' | 98.9° | 97.3° |
| C02 | C2' | C1' | O4' | 72.0° | 81.2° |
| C02 | C2' | C1' | N1 | 38.7° | 37.3° |
| C02 | C2' | C3' | H3 | 28.2° | 21.5° |
| C02 | C2' | C1' | H13 | 165.3° | 160.3° |
| C3' | C2' | C1' | H2 | 119.0° | 118.2° |
| C2' | C3' | O3' | C4' | 113.0° | 114.7° |
| C2' | C3' | O3' | H3 | 120.7° | 122.5° |
| C2' | C3' | C4' | H3 | 123.8° | 118.7° |
| C2' | C3' | C4' | C5' | 117.4° | 121.4° |
| C3' | C2' | C1' | O4' | 40.9° | 37.0° |
| C3' | C2' | C1' | N1 | 151.6° | 155.5° |
| C2' | C3' | O3' | H4 | 180.0° | 61.5° |
| C2' | C3' | C4' | H5 | 113.6° | 117.5° |
| C3' | C2' | C1' | H13 | 81.7° | 81.5° |
| C2' | C3' | C4' | O4' | 7.2° | 2.1° |
| C1' | C2' | C3' | O3' | 94.2° | 97.8° |
| C1' | C2' | C3' | C4' | 17.2° | 20.9° |
| C2' | C1' | O4' | N1 | 119.1° | 118.5° |
| C2' | C1' | O4' | H13 | 119.0° | 118.4° |
| C2' | C1' | N1 | H13 | 126.2° | 122.9° |
| C2' | C1' | N1 | C6 | 82.9° | 95.9° |
| C2' | C1' | N1 | C2 | 97.3° | 83.8° |
| C1' | C2' | C3' | H3 | 144.2° | 139.7° |
| C2' | C1' | O4' | C4' | 44.1° | 40.1° |
| O3' | C3' | C4' | H3 | 123.7° | 122.6° |
| O3' | C3' | C4' | C5' | 130.0° | 119.9° |
| O3' | C3' | C2' | H2 | 24.9° | 20.4° |
| O3' | C3' | C4' | H5 | 1.1° | 1.1° |
| O3' | C3' | C4' | O4' | 119.8° | 120.7° |
| C3' | C4' | C5' | H5 | 130.9° | 121.0° |
| C3' | C4' | C5' | O4' | 113.4° | 117.8° |
| C3' | C4' | C5' | O5' | 106.5° | 175.0° |
| C3' | C4' | O4' | C1' | 36.3° | 26.5° |
| C4' | C3' | C2' | H2 | 136.2° | 139.1° |
| C4' | C3' | O3' | H4 | 67.1° | 176.2° |
| C3' | C4' | H5 | O4' | 119.6° | 117.9° |
| C3' | C4' | C5' | H7 | 133.3° | 55.0° |
| C3' | C4' | C5' | H8 | 13.8° | 64.9° |
| C4' | C5' | O5' | H7 | 120.2° | 120.0° |
| C4' | C5' | O5' | H8 | 120.3° | 120.1° |
| C5' | C4' | O4' | C1' | 153.8° | 146.0° |
| C5' | C4' | C3' | H3 | 6.3° | 2.7° |
| C5' | C4' | H5 | O4' | 111.1° | 121.0° |
| C4' | C5' | H7 | H8 | 119.3° | 120.0° |
| O5' | C5' | C4' | H5 | 122.6° | 53.9° |
| O5' | C5' | H7 | H8 | 119.3° | 120.0° |
| O5' | C5' | C4' | O4' | 6.9° | 67.2° |
| O3A | PB | O1B | H9 | 121.8° | 59.9° |
| O1G | PG | O2G | O3G | 125.4° | 120.0° |
| O1G | PG | O2G | H10 | 0.0° | 60.0° |
| O1G | PG | O3G | H11 | 0.0° | 180.0° |
| O2G | PG | O3G | H11 | 120.6° | 60.0° |
| O3G | PG | O2G | H10 | 125.4° | 60.0° |
| O4' | C1' | N1 | H13 | 124.6° | 123.0° |
| O4' | C1' | N1 | C6 | 26.3° | 18.1° |
| O4' | C1' | N1 | C2 | 153.6° | 162.1° |
| O4' | C1' | C2' | H2 | 159.9° | 155.2° |
| C1' | O4' | C4' | H5 | 88.6° | 93.0° |
| C1' | N1 | C6 | C2 | 179.8° | 179.7° |
| C1' | N1 | C6 | C5 | 177.1° | 180.0° |
| C1' | N1 | C2 | N3 | 178.8° | 179.7° |
| C1' | N1 | C2 | O2 | 0.8° | 0.0° |
| N1 | C1' | C2' | H2 | 89.4° | 86.3° |
| C1' | N1 | C6 | H14 | 2.9° | 0.0° |
| N1 | C1' | O4' | C4' | 163.2° | 158.6° |
| N1 | C6 | C5 | H14 | 180.0° | 180.0° |
| N1 | C6 | C5 | C4 | 3.0° | 0.0° |
| C6 | N1 | C2 | N3 | 1.4° | 0.5° |
| C6 | N1 | C2 | O2 | 179.0° | 179.7° |
| C6 | N1 | C1' | H13 | 150.9° | 141.1° |
| N1 | C6 | C5 | H15 | 177.0° | 180.0° |
| C2 | N1 | C6 | C5 | 3.1° | 0.3° |
| N1 | C2 | N3 | C4 | 0.2° | 0.5° |
| N1 | C2 | N3 | O2 | 179.6° | 179.8° |
| C2 | N1 | C1' | H13 | 28.9° | 39.1° |
| C2 | N1 | C6 | H14 | 176.9° | 179.8° |
| C6 | C5 | C4 | H15 | 180.0° | 180.0° |
| C6 | C5 | C4 | N4 | 177.8° | 180.0° |
| C6 | C5 | C4 | N3 | 1.5° | 0.0° |
| C5 | C4 | N4 | N3 | 179.4° | 180.0° |
| C5 | C4 | N3 | C2 | 0.1° | 0.3° |
| C4 | C5 | C6 | H14 | 177.0° | 180.0° |
| C5 | C4 | N4 | H16 | 179.4° | 0.1° |
| C5 | C4 | N4 | H17 | 0.6° | 180.0° |
| N4 | C4 | N3 | C2 | 179.5° | 179.7° |
| N4 | C4 | C5 | H15 | 2.2° | 0.0° |
| C4 | N4 | H16 | H17 | 180.0° | 179.9° |
| C4 | N3 | C2 | O2 | 179.4° | 179.7° |
| N3 | C4 | C5 | H15 | 178.5° | 180.0° |
| N3 | C4 | N4 | H16 | 0.0° | 179.9° |
| N3 | C4 | N4 | H17 | 180.0° | 0.0° |
| H2 | C2' | C3' | H3 | 96.7° | 102.1° |
| H2 | C2' | C1' | H13 | 37.2° | 36.8° |
| H3 | C3' | O3' | H4 | 59.2° | 61.0° |
| H3 | C3' | C4' | H5 | 122.6° | 123.7° |
| H3 | C3' | C4' | O4' | 116.5° | 116.7° |
| H5 | C4' | C5' | H7 | 2.4° | 66.0° |
| H5 | C4' | C5' | H8 | 117.1° | 174.0° |
| H7 | C5' | C4' | O4' | 113.4° | 172.8° |
| H8 | C5' | C4' | O4' | 127.1° | 52.9° |
| H13 | C1' | O4' | C4' | 74.9° | 78.4° |
| H14 | C6 | C5 | H15 | 3.0° | 0.0° |
