ET9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | C6 | doub | 1.22Å | 1.23Å | |
| C6 | C5 | sing | 1.47Å | 1.47Å | |
| C6 | N1 | sing | 1.34Å | 1.31Å | |
| N7 | C5 | sing | 1.35Å | 1.33Å | Aromatic |
| N7 | C8 | doub | 1.30Å | 1.34Å | Aromatic |
| C5 | C4 | doub | 1.39Å | 1.44Å | Aromatic |
| N1 | C2 | doub | 1.32Å | 1.32Å | |
| C44 | C6' | doub | 1.31Å | 1.30Å | |
| C8 | N9 | sing | 1.36Å | 1.32Å | Aromatic |
| C4 | N9 | sing | 1.36Å | 1.31Å | Aromatic |
| C4 | N3 | sing | 1.37Å | 1.33Å | |
| C2 | N3 | sing | 1.36Å | 1.33Å | |
| C2 | N2 | sing | 1.37Å | 1.33Å | |
| N9 | C1' | sing | 1.46Å | 1.47Å | |
| C6' | C1' | sing | 1.52Å | 1.48Å | |
| C6' | C4' | sing | 1.51Å | 1.48Å | |
| C1' | C2' | sing | 1.55Å | 1.52Å | |
| O2A | PA | doub | 1.48Å | 1.48Å | |
| O5' | C5' | sing | 1.43Å | 1.41Å | |
| O5' | PA | sing | 1.61Å | 1.58Å | |
| C5' | C4' | sing | 1.53Å | 1.51Å | |
| PA | O1A | sing | 1.61Å | 1.48Å | |
| PA | O3A | sing | 1.61Å | 1.58Å | |
| C4' | C3' | sing | 1.54Å | 1.51Å | |
| C2' | C3' | sing | 1.55Å | 1.51Å | |
| C3' | O3' | sing | 1.43Å | 1.41Å | |
| O3A | PB | sing | 1.61Å | 1.58Å | |
| O1B | PB | doub | 1.48Å | 1.50Å | |
| PB | O2B | sing | 1.61Å | 1.47Å | |
| PB | O3B | sing | 1.61Å | 1.58Å | |
| O3G | PG | doub | 1.48Å | 1.48Å | |
| O1G | PG | sing | 1.61Å | 1.48Å | |
| O3B | PG | sing | 1.61Å | 1.59Å | |
| PG | O2G | sing | 1.61Å | 1.47Å | |
| C1' | H1 | sing | 1.09Å | 1.10Å | |
| C2' | H2 | sing | 1.09Å | 1.10Å | |
| C2' | H3 | sing | 1.09Å | 1.10Å | |
| C3' | H4 | sing | 1.09Å | 1.10Å | |
| C4' | H5 | sing | 1.09Å | 1.10Å | |
| C44 | H6 | sing | 1.08Å | 1.08Å | |
| C44 | H7 | sing | 1.08Å | 1.08Å | |
| C5' | H8 | sing | 1.09Å | 1.10Å | |
| C5' | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.08Å | 1.08Å | |
| N2 | H11 | sing | 0.97Å | 1.00Å | |
| N2 | H12 | sing | 0.97Å | 1.00Å | |
| N3 | H13 | sing | 0.97Å | 1.00Å | |
| O1A | H14 | sing | 0.97Å | 0.95Å | |
| O1G | H15 | sing | 0.97Å | 0.95Å | |
| O2B | H16 | sing | 0.97Å | 0.95Å | |
| O2G | H17 | sing | 0.97Å | 0.95Å | |
| O3' | H18 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | C6 | C5 | 122.8° | 120.7° |
| O6 | C6 | N1 | 119.0° | 120.7° |
| C5 | C6 | N1 | 118.3° | 118.6° |
| C6 | C5 | N7 | 137.5° | 134.4° |
| C6 | C5 | C4 | 117.0° | 118.1° |
| C6 | N1 | C2 | 121.7° | 121.4° |
| C5 | N7 | C8 | 108.7° | 109.1° |
| N7 | C5 | C4 | 105.4° | 107.4° |
| N7 | C8 | N9 | 110.1° | 109.6° |
| N7 | C8 | H10 | 125.0° | 125.2° |
| C5 | C4 | N9 | 107.2° | 106.4° |
| C5 | C4 | N3 | 118.2° | 118.9° |
| N1 | C2 | N3 | 123.7° | 122.5° |
| N1 | C2 | N2 | 117.8° | 118.8° |
| C44 | C6' | C1' | 122.6° | 126.3° |
| C44 | C6' | C4' | 123.2° | 126.4° |
| C6' | C44 | H6 | 120.0° | 120.0° |
| C6' | C44 | H7 | 120.0° | 120.0° |
| C8 | N9 | C4 | 108.6° | 107.5° |
| C8 | N9 | C1' | 127.6° | 126.2° |
| N9 | C8 | H10 | 125.0° | 125.3° |
| N9 | C4 | N3 | 134.6° | 134.8° |
| C4 | N9 | C1' | 123.8° | 126.3° |
| C4 | N3 | C2 | 121.1° | 120.6° |
| C4 | N3 | H13 | 119.4° | 119.7° |
| N3 | C2 | N2 | 118.5° | 118.7° |
| C2 | N3 | H13 | 119.5° | 119.7° |
| C2 | N2 | H11 | 120.0° | 120.0° |
| C2 | N2 | H12 | 120.0° | 120.0° |
| N9 | C1' | C6' | 114.2° | 110.6° |
| N9 | C1' | C2' | 105.5° | 110.5° |
| N9 | C1' | H1 | 111.6° | 110.4° |
| C1' | C6' | C4' | 114.2° | 107.3° |
| C6' | C1' | C2' | 102.4° | 104.5° |
| C6' | C1' | H1 | 111.5° | 110.4° |
| C6' | C4' | C5' | 110.2° | 110.0° |
| C6' | C4' | C3' | 101.5° | 106.9° |
| C6' | C4' | H5 | 110.5° | 110.0° |
| C1' | C2' | C3' | 107.3° | 102.3° |
| C2' | C1' | H1 | 111.0° | 110.4° |
| C1' | C2' | H2 | 110.0° | 110.9° |
| C1' | C2' | H3 | 110.0° | 110.8° |
| O2A | PA | O5' | 110.8° | 109.5° |
| O2A | PA | O1A | 108.2° | 109.5° |
| O2A | PA | O3A | 108.4° | 109.5° |
| C5' | O5' | PA | 119.7° | 123.0° |
| O5' | C5' | C4' | 109.5° | 109.5° |
| O5' | C5' | H8 | 109.4° | 109.4° |
| O5' | C5' | H9 | 109.4° | 109.4° |
| O5' | PA | O1A | 111.1° | 109.5° |
| O5' | PA | O3A | 106.1° | 109.5° |
| C5' | C4' | C3' | 114.1° | 110.0° |
| C5' | C4' | H5 | 110.1° | 110.0° |
| C4' | C5' | H8 | 109.5° | 109.5° |
| C4' | C5' | H9 | 109.5° | 109.4° |
| O1A | PA | O3A | 112.2° | 109.5° |
| PA | O1A | H14 | 109.5° | 114.0° |
| PA | O3A | PB | 122.4° | 134.0° |
| C4' | C3' | C2' | 106.4° | 103.7° |
| C4' | C3' | O3' | 112.3° | 110.6° |
| C4' | C3' | H4 | 109.1° | 110.7° |
| C3' | C4' | H5 | 110.1° | 110.0° |
| C2' | C3' | O3' | 109.4° | 110.6° |
| C3' | C2' | H2 | 110.0° | 110.8° |
| C3' | C2' | H3 | 110.1° | 110.8° |
| C2' | C3' | H4 | 109.1° | 110.6° |
| O3' | C3' | H4 | 110.5° | 110.5° |
| C3' | O3' | H18 | 109.5° | 114.0° |
| O3A | PB | O1B | 110.6° | 109.5° |
| O3A | PB | O2B | 109.2° | 109.5° |
| O3A | PB | O3B | 104.9° | 109.5° |
| O1B | PB | O2B | 113.7° | 109.4° |
| O1B | PB | O3B | 110.8° | 109.5° |
| O2B | PB | O3B | 107.3° | 109.5° |
| PB | O2B | H16 | 109.5° | 114.0° |
| PB | O3B | PG | 123.6° | 134.0° |
| O3G | PG | O1G | 110.2° | 109.5° |
| O3G | PG | O3B | 108.9° | 109.5° |
| O3G | PG | O2G | 111.1° | 109.5° |
| O1G | PG | O3B | 107.4° | 109.4° |
| O1G | PG | O2G | 113.0° | 109.5° |
| PG | O1G | H15 | 109.5° | 114.0° |
| O3B | PG | O2G | 106.0° | 109.5° |
| PG | O2G | H17 | 109.5° | 114.0° |
| H2 | C2' | H3 | 109.5° | 110.9° |
| H6 | C44 | H7 | 120.0° | 120.0° |
| H8 | C5' | H9 | 109.5° | 109.5° |
| H11 | N2 | H12 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C6 | C5 | N1 | 179.2° | 179.2° |
| O6 | C6 | C5 | N7 | 0.7° | 0.7° |
| O6 | C6 | C5 | C4 | 179.8° | 180.0° |
| O6 | C6 | N1 | C2 | 179.8° | 179.8° |
| C6 | C5 | N7 | C4 | 179.5° | 179.4° |
| C6 | C5 | N7 | C8 | 179.9° | 179.4° |
| C5 | C6 | N1 | C2 | 0.5° | 0.6° |
| C6 | C5 | C4 | N9 | 179.8° | 179.5° |
| C6 | C5 | C4 | N3 | 0.5° | 0.5° |
| N1 | C6 | C5 | N7 | 180.0° | 179.9° |
| N1 | C6 | C5 | C4 | 0.5° | 0.7° |
| C6 | N1 | C2 | N3 | 0.5° | 0.1° |
| C6 | N1 | C2 | N2 | 179.9° | 179.7° |
| C5 | N7 | C8 | N9 | 0.9° | 0.0° |
| N7 | C5 | C4 | N9 | 0.2° | 0.0° |
| N7 | C5 | C4 | N3 | 179.9° | 180.0° |
| C5 | N7 | C8 | H10 | 179.1° | 179.9° |
| C8 | N7 | C5 | C4 | 0.6° | 0.0° |
| N7 | C8 | N9 | H10 | 180.0° | 180.0° |
| N7 | C8 | N9 | C4 | 0.8° | 0.0° |
| N7 | C8 | N9 | C1' | 178.9° | 180.0° |
| C5 | C4 | N9 | C8 | 0.4° | 0.0° |
| C5 | C4 | N9 | N3 | 179.7° | 180.0° |
| C5 | C4 | N3 | C2 | 0.4° | 0.0° |
| C5 | C4 | N9 | C1' | 178.6° | 180.0° |
| C5 | C4 | N3 | H13 | 179.6° | 180.0° |
| N1 | C2 | N3 | C4 | 0.4° | 0.3° |
| N1 | C2 | N3 | N2 | 179.4° | 179.8° |
| N1 | C2 | N2 | H11 | 0.0° | 179.8° |
| N1 | C2 | N2 | H12 | 180.0° | 0.2° |
| N1 | C2 | N3 | H13 | 179.6° | 179.8° |
| C44 | C6' | C1' | N9 | 66.2° | 85.0° |
| C44 | C6' | C1' | C4' | 178.3° | 180.0° |
| C44 | C6' | C1' | C2' | 179.7° | 156.2° |
| C44 | C6' | C4' | C5' | 41.9° | 61.0° |
| C44 | C6' | C4' | C3' | 163.2° | 179.6° |
| C44 | C6' | C1' | H1 | 61.6° | 37.5° |
| C44 | C6' | C4' | H5 | 80.0° | 60.3° |
| C6' | C44 | H6 | H7 | 180.0° | 179.9° |
| C8 | N9 | C4 | C1' | 178.3° | 180.0° |
| C8 | N9 | C4 | N3 | 179.3° | 180.0° |
| C8 | N9 | C1' | C6' | 12.3° | 55.1° |
| C8 | N9 | C1' | C2' | 99.4° | 60.1° |
| C8 | N9 | C1' | H1 | 140.0° | 177.6° |
| N9 | C4 | N3 | C2 | 179.9° | 180.0° |
| C4 | N9 | C1' | C6' | 169.8° | 124.9° |
| C4 | N9 | C1' | C2' | 78.5° | 119.9° |
| C4 | N9 | C1' | H1 | 42.1° | 2.4° |
| C4 | N9 | C8 | H10 | 179.2° | 179.9° |
| N9 | C4 | N3 | H13 | 0.0° | 0.0° |
| C4 | N3 | C2 | H13 | 180.0° | 180.0° |
| C4 | N3 | C2 | N2 | 179.8° | 179.9° |
| N3 | C4 | N9 | C1' | 1.0° | 0.0° |
| N3 | C2 | N2 | H11 | 179.5° | 0.0° |
| N3 | C2 | N2 | H12 | 0.5° | 180.0° |
| C2 | N2 | H11 | H12 | 180.0° | 180.0° |
| N2 | C2 | N3 | H13 | 0.2° | 0.0° |
| N9 | C1' | C6' | C2' | 113.5° | 118.8° |
| N9 | C1' | C6' | H1 | 127.7° | 122.5° |
| N9 | C1' | C6' | C4' | 115.5° | 95.0° |
| N9 | C1' | C2' | H1 | 121.1° | 122.4° |
| N9 | C1' | C2' | C3' | 104.0° | 81.3° |
| N9 | C1' | C2' | H2 | 136.4° | 160.5° |
| N9 | C1' | C2' | H3 | 15.7° | 36.9° |
| C1' | N9 | C8 | H10 | 1.0° | 0.0° |
| C6' | C1' | C2' | H1 | 119.2° | 118.7° |
| C1' | C6' | C4' | C5' | 139.8° | 119.0° |
| C1' | C6' | C4' | C3' | 18.5° | 0.4° |
| C6' | C1' | C2' | C3' | 15.8° | 37.6° |
| C6' | C1' | C2' | H2 | 103.9° | 80.6° |
| C6' | C1' | C2' | H3 | 135.5° | 155.8° |
| C1' | C6' | C4' | H5 | 98.3° | 119.7° |
| C1' | C6' | C44 | H6 | 178.1° | 0.1° |
| C1' | C6' | C44 | H7 | 1.8° | 180.0° |
| C4' | C6' | C1' | C2' | 2.0° | 23.8° |
| C6' | C4' | C5' | O5' | 55.2° | 67.5° |
| C6' | C4' | C5' | C3' | 113.5° | 117.5° |
| C6' | C4' | C5' | H5 | 122.1° | 121.3° |
| C6' | C4' | C3' | H5 | 117.1° | 119.4° |
| C6' | C4' | C3' | C2' | 27.4° | 23.1° |
| C6' | C4' | C3' | O3' | 147.1° | 141.7° |
| C4' | C6' | C1' | H1 | 116.8° | 142.5° |
| C6' | C4' | C3' | H4 | 90.2° | 95.5° |
| C4' | C6' | C44 | H6 | 0.0° | 179.9° |
| C4' | C6' | C44 | H7 | 180.0° | 0.1° |
| C6' | C4' | C5' | H8 | 175.2° | 172.5° |
| C6' | C4' | C5' | H9 | 64.7° | 52.4° |
| C1' | C2' | C3' | C4' | 28.0° | 37.1° |
| C1' | C2' | C3' | H2 | 119.6° | 118.2° |
| C1' | C2' | C3' | H3 | 119.7° | 118.2° |
| C1' | C2' | C3' | O3' | 149.5° | 155.7° |
| C1' | C2' | H2 | H3 | 121.0° | 123.6° |
| C1' | C2' | C3' | H4 | 89.6° | 81.6° |
| O2A | PA | O5' | C5' | 166.1° | 55.0° |
| O2A | PA | O5' | O1A | 120.3° | 120.0° |
| O2A | PA | O5' | O3A | 117.5° | 120.0° |
| O2A | PA | O1A | O3A | 119.5° | 120.0° |
| O2A | PA | O3A | PB | 147.0° | 45.0° |
| O2A | PA | O1A | H14 | 0.0° | 180.0° |
| O5' | C5' | C4' | H8 | 120.0° | 120.0° |
| O5' | C5' | C4' | H9 | 120.0° | 119.9° |
| C5' | O5' | PA | O1A | 45.8° | 65.0° |
| C5' | O5' | PA | O3A | 76.4° | 175.0° |
| O5' | C5' | C4' | C3' | 58.2° | 175.0° |
| O5' | C5' | C4' | H5 | 177.4° | 53.8° |
| O5' | C5' | H8 | H9 | 119.9° | 120.0° |
| PA | O5' | C5' | C4' | 130.3° | 180.0° |
| O5' | PA | O1A | O3A | 118.6° | 120.0° |
| O5' | PA | O3A | PB | 94.0° | 165.0° |
| PA | O5' | C5' | H8 | 10.3° | 60.0° |
| PA | O5' | C5' | H9 | 109.6° | 60.0° |
| O5' | PA | O1A | H14 | 121.8° | 60.0° |
| C5' | C4' | C3' | H5 | 124.4° | 121.2° |
| C5' | C4' | C3' | C2' | 145.9° | 142.5° |
| C5' | C4' | C3' | O3' | 94.4° | 98.9° |
| C5' | C4' | C3' | H4 | 28.4° | 23.9° |
| C4' | C5' | H8 | H9 | 120.0° | 120.0° |
| O1A | PA | O3A | PB | 27.6° | 75.0° |
| PA | O3A | PB | O1B | 4.3° | 40.0° |
| PA | O3A | PB | O2B | 130.2° | 80.0° |
| PA | O3A | PB | O3B | 115.1° | 160.0° |
| O3A | PA | O1A | H14 | 119.5° | 60.0° |
| C4' | C3' | C2' | O3' | 121.5° | 118.6° |
| C4' | C3' | C2' | H4 | 117.5° | 118.7° |
| C4' | C3' | O3' | H4 | 122.0° | 122.9° |
| C4' | C3' | C2' | H2 | 91.7° | 81.1° |
| C4' | C3' | C2' | H3 | 147.6° | 155.2° |
| C3' | C4' | C5' | H8 | 61.8° | 55.0° |
| C3' | C4' | C5' | H9 | 178.2° | 65.1° |
| C4' | C3' | O3' | H18 | 180.0° | 175.8° |
| C2' | C3' | O3' | H4 | 120.1° | 122.8° |
| C3' | C2' | C1' | H1 | 134.9° | 156.3° |
| C3' | C2' | H2 | H3 | 121.0° | 123.5° |
| C2' | C3' | C4' | H5 | 89.7° | 96.2° |
| C2' | C3' | O3' | H18 | 62.1° | 61.5° |
| O3' | C3' | C2' | H2 | 29.8° | 37.5° |
| O3' | C3' | C2' | H3 | 90.9° | 86.2° |
| O3' | C3' | C4' | H5 | 30.0° | 22.4° |
| O3A | PB | O1B | O2B | 123.3° | 120.0° |
| O3A | PB | O1B | O3B | 115.8° | 120.0° |
| O3A | PB | O2B | O3B | 113.1° | 120.0° |
| O3A | PB | O3B | PG | 92.8° | 165.0° |
| O3A | PB | O2B | H16 | 124.0° | 60.0° |
| O1B | PB | O2B | O3B | 122.8° | 120.0° |
| O1B | PB | O3B | PG | 26.5° | 45.0° |
| O1B | PB | O2B | H16 | 0.0° | 180.0° |
| O2B | PB | O3B | PG | 151.1° | 75.0° |
| PB | O3B | PG | O3G | 5.6° | 45.0° |
| PB | O3B | PG | O1G | 124.9° | 165.0° |
| PB | O3B | PG | O2G | 114.1° | 75.0° |
| O3B | PB | O2B | H16 | 122.8° | 60.0° |
| O3G | PG | O1G | O3B | 118.5° | 120.0° |
| O3G | PG | O1G | O2G | 124.9° | 120.0° |
| O3G | PG | O3B | O2G | 119.6° | 120.0° |
| O3G | PG | O1G | H15 | 0.0° | 60.0° |
| O3G | PG | O2G | H17 | 0.0° | 180.0° |
| O1G | PG | O3B | O2G | 121.0° | 120.0° |
| O1G | PG | O2G | H17 | 124.5° | 60.0° |
| O3B | PG | O1G | H15 | 118.6° | 180.0° |
| O3B | PG | O2G | H17 | 118.2° | 60.0° |
| O2G | PG | O1G | H15 | 124.9° | 60.0° |
| H1 | C1' | C2' | H2 | 15.3° | 38.1° |
| H1 | C1' | C2' | H3 | 105.4° | 85.5° |
| H2 | C2' | C3' | H4 | 150.8° | 160.2° |
| H3 | C2' | C3' | H4 | 30.1° | 36.6° |
| H4 | C3' | C4' | H5 | 152.8° | 145.1° |
| H4 | C3' | O3' | H18 | 58.0° | 61.3° |
| H5 | C4' | C5' | H8 | 62.6° | 66.2° |
| H5 | C4' | C5' | H9 | 57.4° | 173.7° |
