L8S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | C6 | doub | 1.22Å | 1.23Å | |
| N7 | C5 | sing | 1.35Å | 1.40Å | Aromatic |
| N7 | C8 | doub | 1.30Å | 1.32Å | Aromatic |
| C6 | C5 | sing | 1.46Å | 1.42Å | |
| C6 | N1 | sing | 1.35Å | 1.40Å | |
| C5 | C4 | doub | 1.39Å | 1.37Å | Aromatic |
| N1 | C2 | sing | 1.34Å | 1.37Å | |
| C8 | N9 | sing | 1.37Å | 1.37Å | Aromatic |
| C4 | N9 | sing | 1.36Å | 1.37Å | Aromatic |
| C4 | N3 | sing | 1.38Å | 1.35Å | |
| N9 | C1' | sing | 1.46Å | 1.45Å | |
| C2 | N3 | sing | 1.35Å | 1.37Å | |
| C2 | O2 | doub | 1.22Å | 1.22Å | |
| O2A | PA | doub | 1.48Å | 1.49Å | |
| O4' | C1' | sing | 1.44Å | 1.41Å | |
| O4' | C4' | sing | 1.44Å | 1.45Å | |
| C1' | C2' | sing | 1.54Å | 1.52Å | |
| O2B | PB | doub | 1.48Å | 1.49Å | |
| O1B | PB | sing | 1.61Å | 1.49Å | |
| C2' | O2' | sing | 1.43Å | 1.41Å | |
| C2' | C3' | sing | 1.55Å | 1.53Å | |
| C4' | C3' | sing | 1.55Å | 1.54Å | |
| C4' | C5' | sing | 1.53Å | 1.51Å | |
| PA | O5' | sing | 1.61Å | 1.60Å | |
| PA | O3A | sing | 1.61Å | 1.60Å | |
| PA | O1A | sing | 1.61Å | 1.49Å | |
| PB | O3A | sing | 1.61Å | 1.60Å | |
| PB | O3B | sing | 1.61Å | 1.60Å | |
| O5' | C5' | sing | 1.43Å | 1.45Å | |
| C3' | O3' | sing | 1.43Å | 1.42Å | |
| O1G | PG | sing | 1.61Å | 1.50Å | |
| O2G | PG | sing | 1.61Å | 1.50Å | |
| O3B | PG | sing | 1.61Å | 1.61Å | |
| PG | S3G | doub | 1.86Å | 1.94Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N3 | H2 | sing | 0.97Å | 1.00Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C1' | H4 | sing | 1.09Å | 1.10Å | |
| C2' | H5 | sing | 1.09Å | 1.10Å | |
| C3' | H6 | sing | 1.09Å | 1.10Å | |
| C4' | H7 | sing | 1.09Å | 1.10Å | |
| C5' | H8 | sing | 1.09Å | 1.10Å | |
| C5' | H9 | sing | 1.09Å | 1.10Å | |
| O1A | H10 | sing | 0.97Å | 0.95Å | |
| O1B | H11 | sing | 0.97Å | 0.95Å | |
| O2' | H12 | sing | 0.97Å | 0.95Å | |
| O2G | H13 | sing | 0.97Å | 0.95Å | |
| O3' | H14 | sing | 0.97Å | 0.95Å | |
| O1G | H16 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | C6 | C5 | 126.8° | 120.7° |
| O6 | C6 | N1 | 119.1° | 120.8° |
| C5 | N7 | C8 | 105.5° | 109.1° |
| N7 | C5 | C6 | 130.2° | 134.3° |
| N7 | C5 | C4 | 108.3° | 107.4° |
| N7 | C8 | N9 | 112.9° | 109.5° |
| N7 | C8 | H3 | 123.6° | 125.3° |
| C5 | C6 | N1 | 114.1° | 118.5° |
| C6 | C5 | C4 | 121.5° | 118.3° |
| C6 | N1 | C2 | 124.4° | 120.9° |
| C6 | N1 | H1 | 117.8° | 119.5° |
| C5 | C4 | N9 | 108.3° | 106.4° |
| C5 | C4 | N3 | 121.2° | 119.2° |
| N1 | C2 | N3 | 118.4° | 122.3° |
| N1 | C2 | O2 | 121.4° | 118.9° |
| C2 | N1 | H1 | 117.8° | 119.6° |
| C8 | N9 | C4 | 105.0° | 107.6° |
| C8 | N9 | C1' | 129.1° | 126.2° |
| N9 | C8 | H3 | 123.6° | 125.2° |
| N9 | C4 | N3 | 130.5° | 134.4° |
| C4 | N9 | C1' | 126.0° | 126.2° |
| C4 | N3 | C2 | 120.4° | 120.8° |
| C4 | N3 | H2 | 119.8° | 119.6° |
| N9 | C1' | O4' | 109.3° | 110.4° |
| N9 | C1' | C2' | 115.4° | 110.4° |
| N9 | C1' | H4 | 109.2° | 110.3° |
| N3 | C2 | O2 | 120.2° | 118.8° |
| C2 | N3 | H2 | 119.8° | 119.6° |
| O2A | PA | O5' | 109.4° | 109.5° |
| O2A | PA | O3A | 109.2° | 109.4° |
| O2A | PA | O1A | 119.1° | 109.5° |
| C1' | O4' | C4' | 109.0° | 105.3° |
| O4' | C1' | C2' | 104.8° | 104.8° |
| O4' | C1' | H4 | 109.7° | 110.3° |
| O4' | C4' | C3' | 105.1° | 104.8° |
| O4' | C4' | C5' | 109.9° | 110.4° |
| O4' | C4' | H7 | 109.3° | 110.5° |
| C1' | C2' | O2' | 112.9° | 110.5° |
| C1' | C2' | C3' | 98.8° | 104.1° |
| C2' | C1' | H4 | 108.2° | 110.4° |
| C1' | C2' | H5 | 109.6° | 110.5° |
| O2B | PB | O1B | 120.0° | 109.5° |
| O2B | PB | O3A | 109.2° | 109.5° |
| O2B | PB | O3B | 108.6° | 109.5° |
| O1B | PB | O3A | 108.9° | 109.4° |
| O1B | PB | O3B | 108.2° | 109.4° |
| PB | O1B | H11 | 109.5° | 114.0° |
| O2' | C2' | C3' | 114.2° | 110.5° |
| O2' | C2' | H5 | 111.2° | 110.5° |
| C2' | O2' | H12 | 109.5° | 114.0° |
| C2' | C3' | C4' | 101.6° | 104.1° |
| C2' | C3' | O3' | 114.6° | 110.5° |
| C3' | C2' | H5 | 109.5° | 110.6° |
| C2' | C3' | H6 | 108.7° | 110.5° |
| C3' | C4' | C5' | 115.7° | 110.4° |
| C4' | C3' | O3' | 112.8° | 110.5° |
| C4' | C3' | H6 | 108.6° | 110.6° |
| C3' | C4' | H7 | 108.2° | 110.4° |
| C4' | C5' | O5' | 110.4° | 109.5° |
| C5' | C4' | H7 | 108.5° | 110.4° |
| C4' | C5' | H8 | 109.2° | 109.5° |
| C4' | C5' | H9 | 109.2° | 109.5° |
| O5' | PA | O3A | 100.5° | 109.5° |
| O5' | PA | O1A | 110.0° | 109.5° |
| PA | O5' | C5' | 119.5° | 123.0° |
| O3A | PA | O1A | 107.0° | 109.5° |
| PA | O3A | PB | 134.4° | 134.0° |
| PA | O1A | H10 | 109.5° | 114.1° |
| O3A | PB | O3B | 100.2° | 109.5° |
| PB | O3B | PG | 131.9° | 134.0° |
| O5' | C5' | H8 | 109.2° | 109.5° |
| O5' | C5' | H9 | 109.2° | 109.6° |
| O3' | C3' | H6 | 110.1° | 110.5° |
| C3' | O3' | H14 | 109.5° | 114.0° |
| O1G | PG | O2G | 111.2° | 109.5° |
| O1G | PG | O3B | 101.3° | 109.4° |
| O1G | PG | S3G | 115.9° | 109.4° |
| PG | O1G | H16 | 109.5° | 114.0° |
| O2G | PG | O3B | 101.5° | 109.5° |
| O2G | PG | S3G | 116.0° | 109.5° |
| PG | O2G | H13 | 109.5° | 114.0° |
| O3B | PG | S3G | 108.7° | 109.5° |
| H8 | C5' | H9 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C6 | C5 | N7 | 0.0° | 0.0° |
| O6 | C6 | C5 | N1 | 179.9° | 180.0° |
| O6 | C6 | C5 | C4 | 179.8° | 179.5° |
| O6 | C6 | N1 | C2 | 180.0° | 180.0° |
| O6 | C6 | N1 | H1 | 0.0° | 0.2° |
| N7 | C5 | C6 | C4 | 179.8° | 179.5° |
| N7 | C5 | C6 | N1 | 179.9° | 179.9° |
| C5 | N7 | C8 | N9 | 0.1° | 0.0° |
| N7 | C5 | C4 | N9 | 0.3° | 0.0° |
| N7 | C5 | C4 | N3 | 180.0° | 179.6° |
| C5 | N7 | C8 | H3 | 179.9° | 180.0° |
| C8 | N7 | C5 | C6 | 179.9° | 179.6° |
| C8 | N7 | C5 | C4 | 0.1° | 0.0° |
| N7 | C8 | N9 | H3 | 180.0° | 180.0° |
| N7 | C8 | N9 | C4 | 0.2° | 0.0° |
| N7 | C8 | N9 | C1' | 179.7° | 179.5° |
| C5 | C6 | N1 | C2 | 0.1° | 0.1° |
| C6 | C5 | C4 | N9 | 179.9° | 179.7° |
| C6 | C5 | C4 | N3 | 0.2° | 0.8° |
| C5 | C6 | N1 | H1 | 179.9° | 179.7° |
| N1 | C6 | C5 | C4 | 0.0° | 0.6° |
| C6 | N1 | C2 | H1 | 180.0° | 179.8° |
| C6 | N1 | C2 | N3 | 0.1° | 0.2° |
| C6 | N1 | C2 | O2 | 179.9° | 179.7° |
| C5 | C4 | N9 | C8 | 0.3° | 0.0° |
| C5 | C4 | N9 | N3 | 179.7° | 179.4° |
| C5 | C4 | N9 | C1' | 179.8° | 179.5° |
| C5 | C4 | N3 | C2 | 0.2° | 0.6° |
| C5 | C4 | N3 | H2 | 179.8° | 179.4° |
| N1 | C2 | N3 | C4 | 0.1° | 0.1° |
| N1 | C2 | N3 | O2 | 180.0° | 179.9° |
| N1 | C2 | N3 | H2 | 179.9° | 179.9° |
| C8 | N9 | C4 | C1' | 179.5° | 179.5° |
| C8 | N9 | C4 | N3 | 180.0° | 179.5° |
| C8 | N9 | C1' | O4' | 14.0° | 15.5° |
| C8 | N9 | C1' | C2' | 103.8° | 100.0° |
| C8 | N9 | C1' | H4 | 134.0° | 137.7° |
| N9 | C4 | N3 | C2 | 179.8° | 180.0° |
| C4 | N9 | C1' | O4' | 165.3° | 163.9° |
| C4 | N9 | C1' | C2' | 76.9° | 80.6° |
| N9 | C4 | N3 | H2 | 0.1° | 0.0° |
| C4 | N9 | C8 | H3 | 179.8° | 180.0° |
| C4 | N9 | C1' | H4 | 45.3° | 41.7° |
| N3 | C4 | N9 | C1' | 0.6° | 0.1° |
| C4 | N3 | C2 | H2 | 180.0° | 180.0° |
| C4 | N3 | C2 | O2 | 179.9° | 180.0° |
| N9 | C1' | O4' | C2' | 124.3° | 118.9° |
| N9 | C1' | O4' | H4 | 119.7° | 122.2° |
| N9 | C1' | O4' | C4' | 151.5° | 78.4° |
| N9 | C1' | C2' | H4 | 122.7° | 122.2° |
| N9 | C1' | C2' | O2' | 75.4° | 146.4° |
| N9 | C1' | C2' | C3' | 163.5° | 95.0° |
| C1' | N9 | C8 | H3 | 0.3° | 0.5° |
| N9 | C1' | C2' | H5 | 49.1° | 23.8° |
| N3 | C2 | N1 | H1 | 179.9° | 180.0° |
| O2 | C2 | N1 | H1 | 0.1° | 0.1° |
| O2 | C2 | N3 | H2 | 0.1° | 0.0° |
| O2A | PA | O5' | O3A | 114.8° | 120.0° |
| O2A | PA | O5' | O1A | 132.6° | 120.0° |
| O2A | PA | O3A | O1A | 130.2° | 120.0° |
| O2A | PA | O3A | PB | 47.8° | 40.1° |
| O2A | PA | O5' | C5' | 116.2° | 55.0° |
| O2A | PA | O1A | H10 | 0.0° | 180.0° |
| O4' | C1' | C2' | H4 | 117.0° | 118.8° |
| O4' | C1' | C2' | O2' | 164.3° | 94.7° |
| O4' | C1' | C2' | C3' | 43.2° | 24.0° |
| C1' | O4' | C4' | C3' | 0.6° | 40.5° |
| C1' | O4' | C4' | C5' | 125.7° | 159.3° |
| O4' | C1' | C2' | H5 | 71.2° | 142.8° |
| C1' | O4' | C4' | H7 | 115.3° | 78.4° |
| C4' | O4' | C1' | C2' | 27.2° | 40.5° |
| O4' | C4' | C3' | C2' | 27.6° | 24.0° |
| O4' | C4' | C3' | C5' | 121.4° | 118.8° |
| O4' | C4' | C3' | H7 | 116.6° | 118.9° |
| O4' | C4' | C5' | H7 | 119.4° | 122.4° |
| O4' | C4' | C5' | O5' | 81.2° | 69.6° |
| O4' | C4' | C3' | O3' | 150.9° | 142.6° |
| C4' | O4' | C1' | H4 | 88.8° | 159.4° |
| O4' | C4' | C3' | H6 | 86.8° | 94.7° |
| O4' | C4' | C5' | H8 | 39.0° | 50.4° |
| O4' | C4' | C5' | H9 | 158.7° | 170.3° |
| C1' | C2' | O2' | C3' | 111.9° | 114.6° |
| C1' | C2' | O2' | H5 | 123.6° | 122.6° |
| C1' | C2' | C3' | H5 | 114.5° | 118.7° |
| C1' | C2' | C3' | C4' | 41.9° | 0.0° |
| C1' | C2' | C3' | O3' | 163.9° | 118.7° |
| C1' | C2' | C3' | H6 | 72.4° | 118.8° |
| C1' | C2' | O2' | H12 | 180.0° | 180.0° |
| O2B | PB | O1B | O3A | 126.7° | 120.0° |
| O2B | PB | O1B | O3B | 125.2° | 120.0° |
| O2B | PB | O3A | PA | 86.3° | 39.9° |
| O2B | PB | O3A | O3B | 113.9° | 120.1° |
| O2B | PB | O3B | PG | 60.9° | 44.9° |
| O2B | PB | O1B | H11 | 0.0° | 180.0° |
| O1B | PB | O3A | PA | 46.4° | 80.1° |
| O1B | PB | O3A | O3B | 113.4° | 119.9° |
| O1B | PB | O3B | PG | 70.8° | 75.1° |
| O2' | C2' | C3' | H5 | 125.4° | 122.7° |
| O2' | C2' | C3' | C4' | 162.1° | 118.6° |
| O2' | C2' | C3' | O3' | 75.9° | 122.7° |
| O2' | C2' | C1' | H4 | 47.3° | 24.2° |
| O2' | C2' | C3' | H6 | 47.7° | 0.1° |
| C2' | C3' | C4' | O3' | 123.2° | 118.6° |
| C2' | C3' | C4' | H6 | 114.4° | 118.7° |
| C2' | C3' | C4' | C5' | 149.0° | 142.8° |
| C2' | C3' | O3' | H6 | 122.9° | 122.6° |
| C3' | C2' | C1' | H4 | 73.8° | 142.8° |
| C2' | C3' | C4' | H7 | 89.0° | 94.9° |
| C3' | C2' | O2' | H12 | 68.2° | 65.4° |
| C2' | C3' | O3' | H14 | 180.0° | 61.5° |
| C3' | C4' | C5' | H7 | 121.8° | 122.3° |
| C3' | C4' | C5' | O5' | 160.1° | 175.0° |
| C4' | C3' | O3' | H6 | 121.5° | 122.8° |
| C4' | C3' | C2' | H5 | 72.5° | 118.7° |
| C3' | C4' | C5' | H8 | 79.8° | 65.0° |
| C3' | C4' | C5' | H9 | 39.9° | 54.9° |
| C4' | C3' | O3' | H14 | 64.3° | 176.1° |
| C4' | C5' | O5' | PA | 71.4° | 180.0° |
| C4' | C5' | O5' | H8 | 120.1° | 120.0° |
| C4' | C5' | O5' | H9 | 120.2° | 120.0° |
| C5' | C4' | C3' | O3' | 87.8° | 98.6° |
| C5' | C4' | C3' | H6 | 34.6° | 24.1° |
| C4' | C5' | H8 | H9 | 119.6° | 119.9° |
| O5' | PA | O3A | O1A | 114.9° | 120.0° |
| O5' | PA | O3A | PB | 67.2° | 160.1° |
| PA | O5' | C5' | H8 | 168.5° | 60.0° |
| PA | O5' | C5' | H9 | 48.8° | 60.0° |
| O5' | PA | O1A | H10 | 127.4° | 60.0° |
| PA | O3A | PB | O3B | 159.8° | 160.0° |
| O3A | PA | O5' | C5' | 129.0° | 175.0° |
| O3A | PA | O1A | H10 | 124.3° | 60.0° |
| O1A | PA | O3A | PB | 177.9° | 79.9° |
| O1A | PA | O5' | C5' | 16.4° | 65.0° |
| O3A | PB | O3B | PG | 175.2° | 165.0° |
| O3A | PB | O1B | H11 | 126.8° | 60.0° |
| PB | O3B | PG | O1G | 62.4° | 60.0° |
| PB | O3B | PG | O2G | 52.2° | 180.0° |
| PB | O3B | PG | S3G | 175.0° | 59.9° |
| O3B | PB | O1B | H11 | 125.2° | 60.0° |
| O5' | C5' | C4' | H7 | 38.3° | 52.8° |
| O5' | C5' | H8 | H9 | 119.6° | 120.1° |
| O3' | C3' | C2' | H5 | 49.4° | 0.1° |
| O3' | C3' | C4' | H7 | 34.2° | 23.7° |
| O1G | PG | O2G | O3B | 107.1° | 120.0° |
| O1G | PG | O2G | S3G | 135.4° | 120.0° |
| O1G | PG | O3B | S3G | 122.6° | 120.0° |
| O1G | PG | O2G | H13 | 135.4° | 60.0° |
| O2G | PG | O3B | S3G | 122.8° | 120.0° |
| O2G | PG | O1G | H16 | 135.4° | 60.0° |
| O3B | PG | O2G | H13 | 117.6° | 180.0° |
| O3B | PG | O1G | H16 | 117.4° | 60.0° |
| S3G | PG | O2G | H13 | 0.0° | 60.0° |
| S3G | PG | O1G | H16 | 0.0° | 180.0° |
| H4 | C1' | C2' | H5 | 171.8° | 98.4° |
| H5 | C2' | C3' | H6 | 173.1° | 122.5° |
| H5 | C2' | O2' | H12 | 56.3° | 57.4° |
| H6 | C3' | C4' | H7 | 156.6° | 146.4° |
| H6 | C3' | O3' | H14 | 57.2° | 61.1° |
| H7 | C4' | C5' | H8 | 158.4° | 172.8° |
| H7 | C4' | C5' | H9 | 81.9° | 67.3° |
